1 GLY 1 N -0.0176 0.0089 -0.0679 2 GLY 1 CA 0.0042 0.0367 -0.0276 3 GLY 1 C 0.0073 0.0058 0.0199 4 GLY 1 O -0.0034 -0.0321 0.0290 5 ARG 2 N 0.0035 0.0074 0.0189 6 ARG 2 CA -0.0001 0.0092 0.0199 7 ARG 2 C -0.0023 0.0086 0.0200 8 ARG 2 O -0.0008 0.0094 0.0201 9 ARG 2 CB 0.0005 0.0133 0.0210 10 ARG 2 CG -0.0031 0.0152 0.0220 11 ARG 2 CD -0.0026 0.0194 0.0231 12 ARG 2 NE -0.0004 0.0200 0.0231 13 ARG 2 CZ -0.0006 0.0229 0.0239 14 ARG 2 NH1 -0.0029 0.0256 0.0250 15 ARG 2 NH2 0.0016 0.0230 0.0237 16 ILE 3 N -0.0143 -0.0119 -0.0360 17 ILE 3 CA -0.0017 0.0031 -0.0174 18 ILE 3 C 0.0040 -0.0011 -0.0046 19 ILE 3 O 0.0009 -0.0218 -0.0022 20 ILE 3 CB 0.0048 -0.0021 -0.0025 21 ILE 3 CG1 0.0002 0.0071 -0.0153 22 ILE 3 CG2 0.0186 0.0099 0.0195 23 ILE 3 CD1 0.0048 -0.0003 -0.0034 24 ALA 4 N 0.0123 -0.0291 -0.0042 25 ALA 4 CA 0.0116 -0.0244 -0.0020 26 ALA 4 C 0.0103 -0.0274 0.0020 27 ALA 4 O 0.0088 -0.0305 0.0069 28 ALA 4 CB 0.0103 -0.0188 0.0017 29 SER 5 N 0.0084 -0.0127 0.0048 30 SER 5 CA -0.0072 0.0108 0.0096 31 SER 5 C -0.0096 0.0195 0.0148 32 SER 5 O -0.0247 0.0374 0.0151 33 SER 5 CB -0.0008 0.0256 0.0293 34 SER 5 OG 0.0194 0.0228 0.0477 35 ILE 6 N 0.0090 -0.0129 0.0140 36 ILE 6 CA 0.0092 -0.0114 0.0154 37 ILE 6 C 0.0101 -0.0072 0.0207 38 ILE 6 O 0.0099 -0.0028 0.0207 39 ILE 6 CB 0.0080 -0.0087 0.0102 40 ILE 6 CG1 0.0072 -0.0133 0.0052 41 ILE 6 CG2 0.0083 -0.0064 0.0119 42 ILE 6 CD1 0.0058 -0.0105 -0.0008 43 PRO 7 N 0.0114 -0.0068 0.0185 44 PRO 7 CA 0.0086 0.0006 0.0274 45 PRO 7 C 0.0019 0.0119 0.0238 46 PRO 7 O -0.0005 0.0142 0.0149 47 PRO 7 CB 0.0112 -0.0037 0.0292 48 PRO 7 CG 0.0173 -0.0156 0.0269 49 PRO 7 CD 0.0165 -0.0165 0.0171 50 GLY 8 N 0.0028 0.0026 0.0092 51 GLY 8 CA 0.0012 0.0030 0.0092 52 GLY 8 C 0.0040 0.0008 0.0103 53 GLY 8 O 0.0025 0.0002 0.0110 54 GLU 9 N 0.0075 -0.0084 0.0101 55 GLU 9 CA 0.0032 -0.0054 0.0083 56 GLU 9 C 0.0037 0.0005 0.0099 57 GLU 9 O 0.0009 0.0042 0.0091 58 GLU 9 CB 0.0017 -0.0083 0.0068 59 GLU 9 CG -0.0031 -0.0061 0.0046 60 GLU 9 CD -0.0041 -0.0094 0.0032 61 GLU 9 OE1 -0.0011 -0.0132 0.0041 62 GLU 9 OE2 -0.0079 -0.0081 0.0014 63 ALA 10 N 0.0178 -0.0038 0.0134 64 ALA 10 CA 0.0228 0.0188 0.0225 65 ALA 10 C 0.0242 0.0043 0.0144 66 ALA 10 O 0.0110 0.0130 0.0255 67 ALA 10 CB 0.0530 0.0430 0.0196 68 GLU 11 N 0.0125 -0.0057 -0.0062 69 GLU 11 CA 0.0042 -0.0107 -0.0110 70 GLU 11 C 0.0003 -0.0164 -0.0082 71 GLU 11 O -0.0058 -0.0231 -0.0072 72 GLU 11 CB 0.0026 -0.0056 -0.0211 73 GLU 11 CG -0.0059 -0.0096 -0.0277 74 GLU 11 CD -0.0070 -0.0043 -0.0373 75 GLU 11 OE1 -0.0011 0.0025 -0.0389 76 GLU 11 OE2 -0.0138 -0.0072 -0.0430 77 TYR 12 N -0.0044 -0.0108 -0.0021 78 TYR 12 CA -0.0044 -0.0116 -0.0015 79 TYR 12 C -0.0046 -0.0115 -0.0009 80 TYR 12 O -0.0046 -0.0120 -0.0003 81 TYR 12 CB -0.0044 -0.0119 -0.0010 82 TYR 12 CG -0.0041 -0.0123 -0.0017 83 TYR 12 CD1 -0.0037 -0.0131 -0.0020 84 TYR 12 CD2 -0.0041 -0.0118 -0.0020 85 TYR 12 CE1 -0.0034 -0.0134 -0.0026 86 TYR 12 CE2 -0.0038 -0.0121 -0.0026 87 TYR 12 CZ -0.0035 -0.0129 -0.0029 88 TYR 12 OH -0.0032 -0.0132 -0.0036 89 LEU 13 N 0.0009 -0.0052 -0.0006 90 LEU 13 CA -0.0112 0.0044 0.0070 91 LEU 13 C -0.0179 0.0070 0.0101 92 LEU 13 O -0.0097 0.0110 0.0093 93 LEU 13 CB -0.0053 0.0193 0.0112 94 LEU 13 CG -0.0178 0.0292 0.0191 95 LEU 13 CD1 -0.0290 0.0218 0.0196 96 LEU 13 CD2 -0.0106 0.0442 0.0230 97 GLY 14 N -0.0254 0.0077 0.0110 98 GLY 14 CA -0.0229 0.0060 0.0103 99 GLY 14 C -0.0134 -0.0101 0.0105 100 GLY 14 O -0.0098 -0.0128 0.0097 101 ARG 15 N 0.0093 -0.0329 -0.0229 102 ARG 15 CA 0.0145 -0.0316 -0.0158 103 ARG 15 C 0.0130 -0.0269 -0.0039 104 ARG 15 O 0.0113 -0.0239 0.0031 105 ARG 15 CB 0.0090 -0.0312 -0.0182 106 ARG 15 CG 0.0111 -0.0358 -0.0295 107 ARG 15 CD 0.0083 -0.0354 -0.0302 108 ARG 15 NE -0.0044 -0.0321 -0.0296 109 ARG 15 CZ -0.0093 -0.0294 -0.0254 110 ARG 15 NH1 -0.0033 -0.0293 -0.0211 111 ARG 15 NH2 -0.0207 -0.0268 -0.0255 112 GLY 16 N -0.0042 -0.0054 0.0050 113 GLY 16 CA -0.0027 -0.0000 0.0095 114 GLY 16 C -0.0047 -0.0005 0.0090 115 GLY 16 O -0.0010 0.0018 0.0111 116 VAL 17 N -0.0113 -0.0026 0.0080 117 VAL 17 CA -0.0150 -0.0024 0.0073 118 VAL 17 C -0.0170 0.0004 0.0048 119 VAL 17 O -0.0152 0.0030 0.0030 120 VAL 17 CB -0.0145 -0.0024 0.0073 121 VAL 17 CG1 -0.0184 -0.0022 0.0065 122 VAL 17 CG2 -0.0128 -0.0055 0.0100 123 SER 18 N -0.0144 0.0056 0.0019 124 SER 18 CA -0.0123 0.0042 -0.0042 125 SER 18 C -0.0158 0.0017 -0.0058 126 SER 18 O -0.0189 0.0019 -0.0020 127 SER 18 CB -0.0058 0.0070 -0.0050 128 SER 18 OG -0.0036 0.0055 -0.0111 129 TYR 19 N -0.0174 -0.0048 -0.0119 130 TYR 19 CA -0.0203 -0.0055 -0.0129 131 TYR 19 C -0.0124 -0.0068 -0.0154 132 TYR 19 O -0.0138 -0.0088 -0.0185 133 TYR 19 CB -0.0279 -0.0096 -0.0189 134 TYR 19 CG -0.0358 -0.0088 -0.0172 135 TYR 19 CD1 -0.0421 -0.0054 -0.0113 136 TYR 19 CD2 -0.0370 -0.0117 -0.0217 137 TYR 19 CE1 -0.0495 -0.0048 -0.0098 138 TYR 19 CE2 -0.0444 -0.0111 -0.0203 139 TYR 19 CZ -0.0506 -0.0076 -0.0143 140 TYR 19 OH -0.0579 -0.0070 -0.0129 141 CYS 20 N 0.0142 0.0040 -0.0075 142 CYS 20 CA 0.0235 0.0012 -0.0085 143 CYS 20 C 0.0285 0.0067 -0.0066 144 CYS 20 O 0.0281 0.0056 -0.0070 145 CYS 20 CB 0.0239 -0.0082 -0.0117 146 CYS 20 SG 0.0353 -0.0125 -0.0133 147 ALA 21 N 0.0325 0.0127 -0.0037 148 ALA 21 CA 0.0312 0.0099 -0.0035 149 ALA 21 C 0.0293 0.0093 -0.0018 150 ALA 21 O 0.0287 0.0071 -0.0021 151 ALA 21 CB 0.0305 0.0093 -0.0031 152 THR 22 N 0.0322 0.0147 0.0159 153 THR 22 CA 0.0305 0.0011 0.0289 154 THR 22 C 0.0531 -0.0107 -0.0011 155 THR 22 O 0.0588 -0.0357 0.0075 156 THR 22 CB 0.0072 0.0309 0.0469 157 THR 22 OG1 0.0048 0.0691 0.0228 158 THR 22 CG2 -0.0161 0.0360 0.0829 159 CYS 23 N 0.0457 -0.0228 -0.0318 160 CYS 23 CA 0.0297 0.0026 0.0054 161 CYS 23 C 0.0143 0.0250 0.0090 162 CYS 23 O -0.0087 0.0584 0.0109 163 CYS 23 CB 0.0459 -0.0183 0.0482 164 CYS 23 SG 0.0280 0.0104 0.0917 165 ASP 24 N 0.0165 0.0089 -0.0054 166 ASP 24 CA 0.0113 0.0118 -0.0072 167 ASP 24 C 0.0127 0.0172 -0.0089 168 ASP 24 O 0.0087 0.0198 -0.0104 169 ASP 24 CB 0.0076 0.0135 -0.0084 170 ASP 24 CG 0.0054 0.0084 -0.0069 171 ASP 24 OD1 0.0063 0.0034 -0.0050 172 ASP 24 OD2 0.0026 0.0095 -0.0077 173 GLY 25 N 0.0105 0.0149 -0.0004 174 GLY 25 CA 0.0090 0.0119 -0.0033 175 GLY 25 C 0.0068 0.0140 -0.0040 176 GLY 25 O 0.0071 0.0118 -0.0050 177 ALA 26 N 0.0022 0.0202 -0.0086 178 ALA 26 CA -0.0005 0.0213 -0.0092 179 ALA 26 C 0.0020 0.0209 -0.0082 180 ALA 26 O 0.0003 0.0201 -0.0095 181 ALA 26 CB -0.0031 0.0259 -0.0079 182 PHE 27 N -0.0100 0.0207 0.0226 183 PHE 27 CA -0.0100 0.0066 -0.0096 184 PHE 27 C -0.0093 0.0138 -0.0218 185 PHE 27 O -0.0097 -0.0019 -0.0448 186 PHE 27 CB -0.0086 0.0193 -0.0346 187 PHE 27 CG -0.0093 0.0128 -0.0226 188 PHE 27 CD1 -0.0083 0.0364 -0.0033 189 PHE 27 CD2 -0.0110 -0.0162 -0.0309 190 PHE 27 CE1 -0.0089 0.0316 0.0080 191 PHE 27 CE2 -0.0116 -0.0213 -0.0199 192 PHE 27 CZ -0.0105 0.0026 -0.0003 193 TYR 28 N -0.0019 0.0058 -0.0007 194 TYR 28 CA -0.0020 0.0056 -0.0004 195 TYR 28 C -0.0023 0.0038 0.0021 196 TYR 28 O -0.0028 0.0039 0.0032 197 TYR 28 CB -0.0030 0.0084 -0.0002 198 TYR 28 CG -0.0025 0.0101 -0.0028 199 TYR 28 CD1 -0.0016 0.0096 -0.0050 200 TYR 28 CD2 -0.0030 0.0119 -0.0032 201 TYR 28 CE1 -0.0011 0.0110 -0.0075 202 TYR 28 CE2 -0.0025 0.0133 -0.0056 203 TYR 28 CZ -0.0015 0.0128 -0.0078 204 TYR 28 OH -0.0010 0.0142 -0.0103 205 ARG 29 N 0.0047 0.0127 0.0079 206 ARG 29 CA 0.0058 0.0088 0.0133 207 ARG 29 C 0.0139 0.0023 0.0243 208 ARG 29 O 0.0255 0.0042 0.0255 209 ARG 29 CB 0.0111 0.0154 0.0065 210 ARG 29 CG 0.0092 0.0115 0.0109 211 ARG 29 CD 0.0151 0.0175 0.0050 212 ARG 29 NE 0.0100 0.0253 -0.0067 213 ARG 29 CZ -0.0018 0.0260 -0.0113 214 ARG 29 NH1 -0.0101 0.0197 -0.0059 215 ARG 29 NH2 -0.0053 0.0332 -0.0218 216 ASN 30 N 0.0169 0.0054 0.0130 217 ASN 30 CA 0.0095 0.0218 0.0146 218 ASN 30 C -0.0062 0.0203 0.0226 219 ASN 30 O -0.0171 0.0312 0.0266 220 ASN 30 CB 0.0086 0.0354 0.0134 221 ASN 30 CG 0.0249 0.0411 0.0046 222 ASN 30 OD1 0.0321 0.0366 0.0016 223 ASN 30 ND2 0.0311 0.0515 0.0002 224 ARG 31 N -0.0178 -0.0003 0.0018 225 ARG 31 CA -0.0113 0.0077 -0.0127 226 ARG 31 C -0.0039 0.0223 -0.0124 227 ARG 31 O -0.0033 0.0280 0.0006 228 ARG 31 CB -0.0095 0.0112 -0.0129 229 ARG 31 CG -0.0165 -0.0033 -0.0144 230 ARG 31 CD -0.0144 -0.0002 -0.0176 231 ARG 31 NE -0.0220 -0.0147 -0.0162 232 ARG 31 CZ -0.0255 -0.0259 -0.0285 233 ARG 31 NH1 -0.0226 -0.0250 -0.0434 234 ARG 31 NH2 -0.0325 -0.0387 -0.0256 235 GLU 32 N -0.0047 -0.0010 -0.0118 236 GLU 32 CA -0.0021 -0.0016 -0.0128 237 GLU 32 C 0.0013 0.0032 -0.0105 238 GLU 32 O 0.0046 0.0056 -0.0098 239 GLU 32 CB 0.0018 -0.0057 -0.0165 240 GLU 32 CG -0.0012 -0.0108 -0.0191 241 GLU 32 CD -0.0031 -0.0140 -0.0207 242 GLU 32 OE1 -0.0084 -0.0155 -0.0204 243 GLU 32 OE2 0.0005 -0.0149 -0.0223 244 VAL 33 N 0.0054 0.0021 -0.0092 245 VAL 33 CA 0.0073 0.0039 -0.0074 246 VAL 33 C 0.0097 0.0046 -0.0083 247 VAL 33 O 0.0096 0.0037 -0.0096 248 VAL 33 CB 0.0061 0.0050 -0.0046 249 VAL 33 CG1 0.0036 0.0044 -0.0036 250 VAL 33 CG2 0.0052 0.0049 -0.0041 251 VAL 34 N 0.0055 0.0004 -0.0084 252 VAL 34 CA 0.0055 0.0006 -0.0084 253 VAL 34 C 0.0050 0.0015 -0.0082 254 VAL 34 O 0.0052 0.0021 -0.0083 255 VAL 34 CB 0.0063 0.0007 -0.0088 256 VAL 34 CG1 0.0062 0.0009 -0.0088 257 VAL 34 CG2 0.0067 -0.0002 -0.0090 258 VAL 35 N 0.0009 0.0020 -0.0064 259 VAL 35 CA -0.0001 0.0036 -0.0063 260 VAL 35 C -0.0012 0.0052 -0.0066 261 VAL 35 O -0.0016 0.0053 -0.0055 262 VAL 35 CB -0.0007 0.0035 -0.0044 263 VAL 35 CG1 -0.0019 0.0052 -0.0043 264 VAL 35 CG2 0.0004 0.0018 -0.0043 265 VAL 36 N -0.0080 -0.0033 -0.0121 266 VAL 36 CA -0.0092 -0.0040 -0.0116 267 VAL 36 C -0.0108 -0.0040 -0.0128 268 VAL 36 O -0.0108 -0.0033 -0.0142 269 VAL 36 CB -0.0087 -0.0038 -0.0116 270 VAL 36 CG1 -0.0098 -0.0046 -0.0106 271 VAL 36 CG2 -0.0069 -0.0035 -0.0110 272 GLY 37 N -0.0099 0.0075 -0.0114 273 GLY 37 CA -0.0110 0.0097 -0.0105 274 GLY 37 C -0.0102 0.0105 -0.0062 275 GLY 37 O -0.0083 0.0085 -0.0040 276 LEU 38 N 0.0055 0.0081 -0.0035 277 LEU 38 CA 0.0006 0.0076 0.0016 278 LEU 38 C -0.0039 0.0129 -0.0001 279 LEU 38 O -0.0072 0.0169 -0.0014 280 LEU 38 CB -0.0021 0.0062 0.0056 281 LEU 38 CG -0.0077 0.0057 0.0112 282 LEU 38 CD1 -0.0066 0.0015 0.0148 283 LEU 38 CD2 -0.0096 0.0042 0.0146 284 ASN 39 N -0.0031 0.0049 -0.0011 285 ASN 39 CA -0.0002 0.0032 0.0030 286 ASN 39 C 0.0031 -0.0034 0.0080 287 ASN 39 O 0.0022 -0.0066 0.0070 288 ASN 39 CB -0.0033 0.0006 -0.0011 289 ASN 39 CG -0.0072 -0.0058 -0.0062 290 ASN 39 OD1 -0.0062 -0.0126 -0.0045 291 ASN 39 ND2 -0.0117 -0.0034 -0.0126 292 PRO 40 N 0.0313 -0.0262 0.0150 293 PRO 40 CA 0.0422 -0.0268 0.0128 294 PRO 40 C 0.0159 -0.0330 0.0213 295 PRO 40 O 0.0142 -0.0178 0.0152 296 PRO 40 CB 0.0714 -0.0517 0.0169 297 PRO 40 CG 0.0857 -0.0505 0.0131 298 PRO 40 CD 0.0548 -0.0446 0.0175 299 GLU 41 N 0.0139 -0.0163 0.0207 300 GLU 41 CA 0.0109 -0.0257 0.0166 301 GLU 41 C 0.0069 -0.0188 0.0173 302 GLU 41 O 0.0122 -0.0224 0.0182 303 GLU 41 CB -0.0004 -0.0336 0.0099 304 GLU 41 CG -0.0031 -0.0458 0.0050 305 GLU 41 CD -0.0151 -0.0523 -0.0016 306 GLU 41 OE1 -0.0223 -0.0463 -0.0024 307 GLU 41 OE2 -0.0171 -0.0633 -0.0058 308 ALA 42 N -0.0011 -0.0095 0.0111 309 ALA 42 CA -0.0051 -0.0052 0.0084 310 ALA 42 C -0.0006 -0.0023 0.0100 311 ALA 42 O -0.0030 -0.0030 0.0089 312 ALA 42 CB -0.0082 0.0017 0.0056 313 VAL 43 N -0.0021 0.0013 0.0069 314 VAL 43 CA -0.0014 0.0035 0.0042 315 VAL 43 C -0.0033 0.0025 0.0058 316 VAL 43 O -0.0061 0.0045 0.0042 317 VAL 43 CB 0.0040 0.0036 0.0028 318 VAL 43 CG1 0.0051 0.0055 0.0004 319 VAL 43 CG2 0.0059 0.0052 0.0004 320 GLU 44 N -0.0056 -0.0207 0.0088 321 GLU 44 CA -0.0156 -0.0132 0.0119 322 GLU 44 C -0.0090 -0.0113 0.0119 323 GLU 44 O -0.0166 -0.0143 0.0117 324 GLU 44 CB -0.0206 0.0012 0.0165 325 GLU 44 CG -0.0308 -0.0022 0.0164 326 GLU 44 CD -0.0342 0.0112 0.0205 327 GLU 44 OE1 -0.0395 0.0222 0.0242 328 GLU 44 OE2 -0.0320 0.0101 0.0200 329 GLU 45 N 0.0046 -0.0055 0.0116 330 GLU 45 CA 0.0072 -0.0050 0.0118 331 GLU 45 C 0.0083 -0.0073 0.0127 332 GLU 45 O 0.0095 -0.0071 0.0128 333 GLU 45 CB 0.0092 -0.0040 0.0117 334 GLU 45 CG 0.0086 -0.0013 0.0107 335 GLU 45 CD 0.0093 0.0007 0.0101 336 GLU 45 OE1 0.0115 0.0019 0.0100 337 GLU 45 OE2 0.0077 0.0010 0.0098 338 ALA 46 N -0.0006 -0.0042 0.0109 339 ALA 46 CA -0.0018 -0.0025 0.0087 340 ALA 46 C -0.0011 -0.0032 0.0098 341 ALA 46 O -0.0032 -0.0036 0.0087 342 ALA 46 CB -0.0004 0.0012 0.0067 343 GLN 47 N -0.0081 -0.0101 0.0145 344 GLN 47 CA -0.0094 -0.0091 0.0130 345 GLN 47 C -0.0080 -0.0055 0.0120 346 GLN 47 O -0.0083 -0.0044 0.0112 347 GLN 47 CB -0.0129 -0.0096 0.0108 348 GLN 47 CG -0.0149 -0.0131 0.0115 349 GLN 47 CD -0.0182 -0.0136 0.0094 350 GLN 47 OE1 -0.0188 -0.0139 0.0092 351 GLN 47 NE2 -0.0203 -0.0135 0.0079 352 VAL 48 N -0.0009 -0.0151 0.0134 353 VAL 48 CA -0.0019 -0.0171 0.0135 354 VAL 48 C -0.0027 -0.0186 0.0112 355 VAL 48 O -0.0037 -0.0207 0.0115 356 VAL 48 CB -0.0016 -0.0164 0.0138 357 VAL 48 CG1 -0.0027 -0.0186 0.0136 358 VAL 48 CG2 -0.0010 -0.0153 0.0163 359 LEU 49 N -0.0012 -0.0023 0.0092 360 LEU 49 CA 0.0011 -0.0054 0.0071 361 LEU 49 C -0.0009 -0.0102 0.0064 362 LEU 49 O -0.0003 -0.0128 0.0053 363 LEU 49 CB 0.0057 -0.0051 0.0052 364 LEU 49 CG 0.0084 -0.0006 0.0055 365 LEU 49 CD1 0.0125 0.0000 0.0039 366 LEU 49 CD2 0.0094 0.0000 0.0053 367 THR 50 N -0.0054 -0.0034 0.0096 368 THR 50 CA -0.0072 -0.0050 0.0075 369 THR 50 C -0.0111 -0.0084 0.0099 370 THR 50 O -0.0131 -0.0102 0.0081 371 THR 50 CB -0.0047 -0.0028 0.0081 372 THR 50 OG1 -0.0036 -0.0018 0.0133 373 THR 50 CG2 -0.0010 0.0005 0.0049 374 LYS 51 N -0.0131 -0.0078 0.0052 375 LYS 51 CA -0.0252 -0.0074 0.0088 376 LYS 51 C -0.0532 -0.0046 0.0149 377 LYS 51 O -0.0669 -0.0028 0.0173 378 LYS 51 CB -0.0146 -0.0238 0.0262 379 LYS 51 CG 0.0136 -0.0275 0.0213 380 LYS 51 CD 0.0250 -0.0451 0.0400 381 LYS 51 CE 0.0528 -0.0484 0.0347 382 LYS 51 NZ 0.0683 -0.0587 0.0427 383 PHE 52 N -0.0085 -0.0047 0.0005 384 PHE 52 CA -0.0086 -0.0014 0.0045 385 PHE 52 C -0.0069 -0.0035 0.0053 386 PHE 52 O -0.0084 -0.0010 0.0055 387 PHE 52 CB -0.0068 -0.0004 0.0097 388 PHE 52 CG -0.0082 0.0015 0.0093 389 PHE 52 CD1 -0.0115 0.0062 0.0083 390 PHE 52 CD2 -0.0061 -0.0012 0.0099 391 PHE 52 CE1 -0.0128 0.0080 0.0080 392 PHE 52 CE2 -0.0074 0.0006 0.0096 393 PHE 52 CZ -0.0108 0.0052 0.0086 394 ALA 53 N -0.0092 -0.0045 0.0077 395 ALA 53 CA -0.0059 -0.0072 0.0067 396 ALA 53 C -0.0067 -0.0123 0.0078 397 ALA 53 O -0.0103 -0.0137 0.0094 398 ALA 53 CB -0.0053 -0.0051 0.0062 399 SER 54 N -0.0088 -0.0180 0.0125 400 SER 54 CA -0.0093 -0.0282 0.0106 401 SER 54 C -0.0093 -0.0341 0.0095 402 SER 54 O -0.0150 -0.0406 0.0082 403 SER 54 CB -0.0004 -0.0318 0.0102 404 SER 54 OG -0.0008 -0.0285 0.0108 405 THR 55 N -0.0007 -0.0283 -0.0015 406 THR 55 CA 0.0026 -0.0196 -0.0020 407 THR 55 C 0.0060 -0.0080 -0.0003 408 THR 55 O 0.0087 -0.0064 -0.0051 409 THR 55 CB 0.0074 -0.0204 -0.0128 410 THR 55 OG1 0.0047 -0.0311 -0.0152 411 THR 55 CG2 0.0106 -0.0110 -0.0126 412 VAL 56 N 0.0079 -0.0057 -0.0002 413 VAL 56 CA 0.0086 -0.0016 -0.0005 414 VAL 56 C 0.0094 0.0008 -0.0020 415 VAL 56 O 0.0088 0.0018 0.0000 416 VAL 56 CB 0.0074 0.0002 0.0034 417 VAL 56 CG1 0.0081 0.0047 0.0030 418 VAL 56 CG2 0.0065 -0.0023 0.0050 419 HIS 57 N 0.0149 0.0002 -0.0065 420 HIS 57 CA 0.0165 0.0024 -0.0085 421 HIS 57 C 0.0175 0.0064 -0.0069 422 HIS 57 O 0.0182 0.0077 -0.0071 423 HIS 57 CB 0.0179 0.0019 -0.0125 424 HIS 57 CG 0.0171 -0.0019 -0.0144 425 HIS 57 ND1 0.0170 -0.0030 -0.0152 426 HIS 57 CD2 0.0165 -0.0045 -0.0155 427 HIS 57 CE1 0.0163 -0.0064 -0.0168 428 HIS 57 NE2 0.0159 -0.0074 -0.0171 429 TRP 58 N 0.0113 -0.0005 -0.0055 430 TRP 58 CA 0.0093 0.0031 -0.0058 431 TRP 58 C 0.0087 0.0051 -0.0066 432 TRP 58 O 0.0079 0.0043 -0.0048 433 TRP 58 CB 0.0068 0.0037 -0.0024 434 TRP 58 CG 0.0047 0.0074 -0.0026 435 TRP 58 CD1 0.0050 0.0100 -0.0055 436 TRP 58 CD2 0.0021 0.0087 0.0003 437 TRP 58 NE1 0.0027 0.0129 -0.0046 438 TRP 58 CE2 0.0008 0.0123 -0.0011 439 TRP 58 CE3 0.0007 0.0073 0.0037 440 TRP 58 CZ2 -0.0018 0.0143 0.0011 441 TRP 58 CZ3 -0.0020 0.0094 0.0059 442 TRP 58 CH2 -0.0032 0.0129 0.0046 443 ILE 59 N 0.0088 -0.0048 -0.0092 444 ILE 59 CA 0.0079 -0.0049 -0.0089 445 ILE 59 C 0.0058 -0.0042 -0.0096 446 ILE 59 O 0.0055 -0.0032 -0.0111 447 ILE 59 CB 0.0093 -0.0045 -0.0097 448 ILE 59 CG1 0.0114 -0.0053 -0.0089 449 ILE 59 CG2 0.0083 -0.0046 -0.0094 450 ILE 59 CD1 0.0130 -0.0049 -0.0098 451 THR 60 N 0.0067 -0.0099 -0.0033 452 THR 60 CA 0.0028 -0.0083 -0.0036 453 THR 60 C 0.0023 -0.0091 -0.0029 454 THR 60 O 0.0036 -0.0120 -0.0011 455 THR 60 CB -0.0010 -0.0092 -0.0020 456 THR 60 OG1 -0.0015 -0.0128 0.0006 457 THR 60 CG2 -0.0006 -0.0085 -0.0026 458 PRO 61 N 0.0025 -0.0129 -0.0048 459 PRO 61 CA 0.0019 -0.0145 -0.0035 460 PRO 61 C -0.0014 -0.0168 -0.0021 461 PRO 61 O -0.0022 -0.0184 -0.0008 462 PRO 61 CB 0.0011 -0.0121 -0.0057 463 PRO 61 CG -0.0007 -0.0098 -0.0079 464 PRO 61 CD 0.0014 -0.0098 -0.0075 465 LYS 62 N -0.0093 -0.0149 0.0113 466 LYS 62 CA -0.0101 -0.0134 0.0144 467 LYS 62 C -0.0055 -0.0136 0.0159 468 LYS 62 O -0.0022 -0.0151 0.0141 469 LYS 62 CB -0.0132 -0.0135 0.0128 470 LYS 62 CG -0.0113 -0.0152 0.0097 471 LYS 62 CD -0.0145 -0.0154 0.0078 472 LYS 62 CE -0.0176 -0.0164 0.0042 473 LYS 62 NZ -0.0204 -0.0166 0.0024 474 ASP 63 N 0.0122 -0.0218 0.0167 475 ASP 63 CA 0.0039 -0.0197 0.0112 476 ASP 63 C -0.0005 -0.0151 0.0152 477 ASP 63 O 0.0039 -0.0159 0.0187 478 ASP 63 CB 0.0056 -0.0253 0.0018 479 ASP 63 CG -0.0019 -0.0242 -0.0046 480 ASP 63 OD1 -0.0028 -0.0227 -0.0028 481 ASP 63 OD2 -0.0065 -0.0247 -0.0110 482 PRO 64 N -0.0021 -0.0053 0.0119 483 PRO 64 CA -0.0067 0.0003 0.0165 484 PRO 64 C -0.0121 0.0003 0.0167 485 PRO 64 O -0.0154 0.0052 0.0207 486 PRO 64 CB -0.0116 0.0007 0.0170 487 PRO 64 CG -0.0082 -0.0042 0.0130 488 PRO 64 CD -0.0049 -0.0091 0.0090 489 HIS 65 N 0.0034 -0.0028 0.0036 490 HIS 65 CA -0.0025 -0.0042 0.0003 491 HIS 65 C 0.0015 -0.0034 0.0024 492 HIS 65 O -0.0029 -0.0027 0.0011 493 HIS 65 CB -0.0054 -0.0123 -0.0061 494 HIS 65 CG -0.0104 -0.0128 -0.0085 495 HIS 65 ND1 -0.0064 -0.0173 -0.0097 496 HIS 65 CD2 -0.0188 -0.0096 -0.0099 497 HIS 65 CE1 -0.0123 -0.0168 -0.0118 498 HIS 65 NE2 -0.0200 -0.0121 -0.0120 499 THR 66 N 0.0179 -0.0093 0.0068 500 THR 66 CA 0.0453 -0.0133 0.0316 501 THR 66 C 0.0323 0.0026 0.0583 502 THR 66 O 0.0509 -0.0017 0.0708 503 THR 66 CB 0.0697 -0.0168 0.0540 504 THR 66 OG1 0.0514 -0.0009 0.0738 505 THR 66 CG2 0.0913 -0.0357 0.0306 506 LEU 67 N -0.0082 0.0139 0.0186 507 LEU 67 CA -0.0055 0.0154 0.0077 508 LEU 67 C -0.0028 0.0171 0.0023 509 LEU 67 O 0.0014 0.0200 -0.0059 510 LEU 67 CB 0.0020 0.0211 0.0065 511 LEU 67 CG -0.0001 0.0195 0.0076 512 LEU 67 CD1 0.0076 0.0253 0.0046 513 LEU 67 CD2 -0.0073 0.0136 0.0006 514 ASP 68 N -0.1226 0.0457 0.0215 515 ASP 68 CA -0.0698 0.0562 0.0071 516 ASP 68 C -0.0455 0.0555 0.0015 517 ASP 68 O -0.0136 0.0238 -0.0002 518 ASP 68 CB -0.0402 0.0242 0.0060 519 ASP 68 CG 0.0082 0.0485 -0.0099 520 ASP 68 OD1 0.0486 0.0282 -0.0157 521 ASP 68 OD2 0.0048 0.0882 -0.0164 522 GLY 69 N -0.0218 0.0349 0.0061 523 GLY 69 CA 0.0114 0.0398 0.0012 524 GLY 69 C 0.0215 0.0283 -0.0154 525 GLY 69 O 0.0474 0.0345 -0.0165 526 HIS 70 N 0.0295 0.0185 -0.0184 527 HIS 70 CA 0.0371 0.0121 -0.0316 528 HIS 70 C 0.0425 0.0442 -0.0041 529 HIS 70 O 0.0658 0.0548 -0.0142 530 HIS 70 CB 0.0032 -0.0258 -0.0397 531 HIS 70 CG 0.0133 -0.0452 -0.0683 532 HIS 70 ND1 0.0107 -0.0367 -0.0574 533 HIS 70 CD2 0.0255 -0.0714 -0.1059 534 HIS 70 CE1 0.0217 -0.0577 -0.0886 535 HIS 70 NE2 0.0310 -0.0793 -0.1188 536 ALA 71 N 0.0085 0.0247 -0.0045 537 ALA 71 CA 0.0033 0.0271 -0.0053 538 ALA 71 C -0.0001 0.0297 -0.0118 539 ALA 71 O -0.0046 0.0319 -0.0128 540 ALA 71 CB 0.0060 0.0259 -0.0050 541 ASP 72 N -0.0024 0.0288 -0.0181 542 ASP 72 CA -0.0088 0.0177 -0.0201 543 ASP 72 C -0.0134 0.0162 -0.0197 544 ASP 72 O -0.0122 0.0070 -0.0224 545 ASP 72 CB -0.0195 0.0159 -0.0188 546 ASP 72 CG -0.0155 0.0138 -0.0200 547 ASP 72 OD1 -0.0045 0.0150 -0.0215 548 ASP 72 OD2 -0.0236 0.0111 -0.0195 549 GLU 73 N -0.0139 0.0231 -0.0191 550 GLU 73 CA -0.0144 0.0131 -0.0186 551 GLU 73 C -0.0229 0.0097 -0.0268 552 GLU 73 O -0.0247 0.0074 -0.0283 553 GLU 73 CB -0.0108 0.0033 -0.0140 554 GLU 73 CG -0.0097 -0.0074 -0.0120 555 GLU 73 CD -0.0062 -0.0170 -0.0076 556 GLU 73 OE1 -0.0043 -0.0155 -0.0058 557 GLU 73 OE2 -0.0053 -0.0260 -0.0059 558 LEU 74 N -0.0192 0.0082 -0.0143 559 LEU 74 CA -0.0150 0.0090 -0.0114 560 LEU 74 C -0.0133 0.0045 -0.0112 561 LEU 74 O -0.0120 0.0053 -0.0102 562 LEU 74 CB -0.0116 0.0098 -0.0089 563 LEU 74 CG -0.0069 0.0106 -0.0057 564 LEU 74 CD1 -0.0069 0.0155 -0.0047 565 LEU 74 CD2 -0.0037 0.0109 -0.0035 566 LEU 75 N -0.0186 0.0229 -0.0065 567 LEU 75 CA -0.0145 0.0111 -0.0030 568 LEU 75 C -0.0184 0.0028 -0.0005 569 LEU 75 O -0.0134 -0.0065 0.0023 570 LEU 75 CB -0.0188 0.0066 -0.0017 571 LEU 75 CG -0.0124 0.0122 -0.0033 572 LEU 75 CD1 -0.0192 0.0094 -0.0025 573 LEU 75 CD2 0.0008 0.0083 -0.0020 574 ALA 76 N -0.0364 0.0084 -0.0028 575 ALA 76 CA -0.0005 0.0197 0.0167 576 ALA 76 C 0.0164 0.0044 0.0083 577 ALA 76 O 0.0433 0.0147 0.0244 578 ALA 76 CB 0.0321 0.0125 0.0195 579 HIS 77 N -0.0123 -0.0226 -0.0070 580 HIS 77 CA -0.0090 -0.0147 -0.0048 581 HIS 77 C -0.0059 -0.0138 0.0029 582 HIS 77 O -0.0053 -0.0184 0.0087 583 HIS 77 CB -0.0078 -0.0117 -0.0043 584 HIS 77 CG -0.0052 -0.0029 -0.0049 585 HIS 77 ND1 -0.0017 0.0009 0.0015 586 HIS 77 CD2 -0.0057 0.0024 -0.0110 587 HIS 77 CE1 -0.0001 0.0085 -0.0009 588 HIS 77 NE2 -0.0024 0.0097 -0.0084 589 PRO 78 N -0.0222 -0.0177 -0.0098 590 PRO 78 CA 0.0135 -0.0303 0.0483 591 PRO 78 C 0.0612 -0.0062 0.1088 592 PRO 78 O 0.0918 -0.0275 0.1628 593 PRO 78 CB 0.0133 0.0177 0.0281 594 PRO 78 CG -0.0343 0.0291 -0.0471 595 PRO 78 CD -0.0448 0.0329 -0.0641 596 SER 79 N 0.0065 -0.0087 0.0135 597 SER 79 CA 0.0037 -0.0099 0.0134 598 SER 79 C 0.0076 -0.0077 0.0123 599 SER 79 O 0.0057 -0.0081 0.0113 600 SER 79 CB 0.0013 -0.0135 0.0190 601 SER 79 OG -0.0026 -0.0158 0.0202 602 VAL 80 N 0.0086 -0.0032 0.0101 603 VAL 80 CA 0.0066 -0.0007 0.0086 604 VAL 80 C 0.0070 -0.0035 0.0112 605 VAL 80 O 0.0052 -0.0066 0.0152 606 VAL 80 CB 0.0008 0.0024 0.0084 607 VAL 80 CG1 -0.0017 0.0047 0.0073 608 VAL 80 CG2 0.0010 0.0058 0.0049 609 LYS 81 N 0.0242 -0.0028 0.0017 610 LYS 81 CA 0.0235 0.0023 -0.0018 611 LYS 81 C 0.0248 0.0050 -0.0018 612 LYS 81 O 0.0233 0.0028 -0.0023 613 LYS 81 CB 0.0190 0.0016 -0.0066 614 LYS 81 CG 0.0178 0.0000 -0.0072 615 LYS 81 CD 0.0137 0.0005 -0.0122 616 LYS 81 CE 0.0126 -0.0005 -0.0130 617 LYS 81 NZ 0.0110 -0.0064 -0.0117 618 LEU 82 N 0.0154 -0.0103 0.0054 619 LEU 82 CA 0.0138 -0.0097 0.0048 620 LEU 82 C 0.0183 -0.0135 0.0072 621 LEU 82 O 0.0186 -0.0193 0.0094 622 LEU 82 CB 0.0064 -0.0120 0.0041 623 LEU 82 CG 0.0043 -0.0118 0.0035 624 LEU 82 CD1 0.0047 -0.0049 0.0010 625 LEU 82 CD2 -0.0028 -0.0151 0.0032 626 TRP 83 N 0.0219 -0.0127 -0.0043 627 TRP 83 CA 0.0184 -0.0124 -0.0026 628 TRP 83 C 0.0170 -0.0148 -0.0033 629 TRP 83 O 0.0151 -0.0174 -0.0040 630 TRP 83 CB 0.0163 -0.0131 -0.0021 631 TRP 83 CG 0.0178 -0.0109 -0.0015 632 TRP 83 CD1 0.0201 -0.0113 -0.0027 633 TRP 83 CD2 0.0173 -0.0077 0.0006 634 TRP 83 NE1 0.0209 -0.0086 -0.0015 635 TRP 83 CE2 0.0192 -0.0063 0.0005 636 TRP 83 CE3 0.0153 -0.0059 0.0025 637 TRP 83 CZ2 0.0192 -0.0032 0.0023 638 TRP 83 CZ3 0.0153 -0.0027 0.0043 639 TRP 83 CH2 0.0172 -0.0014 0.0042 640 GLU 84 N 0.0122 -0.0278 0.0045 641 GLU 84 CA 0.0025 -0.0250 0.0033 642 GLU 84 C -0.0004 -0.0245 0.0037 643 GLU 84 O 0.0029 -0.0275 0.0086 644 GLU 84 CB -0.0040 -0.0264 0.0100 645 GLU 84 CG -0.0041 -0.0306 0.0196 646 GLU 84 CD -0.0125 -0.0311 0.0254 647 GLU 84 OE1 -0.0173 -0.0288 0.0226 648 GLU 84 OE2 -0.0147 -0.0336 0.0324 649 LYS 85 N -0.0045 -0.0157 0.0004 650 LYS 85 CA -0.0019 -0.0146 -0.0011 651 LYS 85 C -0.0013 -0.0153 -0.0029 652 LYS 85 O 0.0003 -0.0155 -0.0051 653 LYS 85 CB -0.0007 -0.0149 -0.0029 654 LYS 85 CG -0.0011 -0.0142 -0.0014 655 LYS 85 CD 0.0007 -0.0137 -0.0029 656 LYS 85 CE -0.0005 -0.0146 -0.0028 657 LYS 85 NZ -0.0015 -0.0169 -0.0050 658 THR 86 N -0.0021 -0.0121 -0.0057 659 THR 86 CA -0.0022 -0.0114 -0.0040 660 THR 86 C -0.0025 -0.0121 -0.0045 661 THR 86 O -0.0022 -0.0127 -0.0064 662 THR 86 CB -0.0011 -0.0092 -0.0033 663 THR 86 OG1 -0.0001 -0.0081 -0.0048 664 THR 86 CG2 -0.0008 -0.0084 -0.0031 665 ARG 87 N -0.0058 -0.0103 -0.0019 666 ARG 87 CA -0.0046 -0.0077 -0.0021 667 ARG 87 C -0.0044 -0.0103 -0.0039 668 ARG 87 O -0.0034 -0.0129 -0.0068 669 ARG 87 CB -0.0017 -0.0043 -0.0043 670 ARG 87 CG -0.0011 -0.0003 -0.0030 671 ARG 87 CD 0.0019 0.0019 -0.0060 672 ARG 87 NE 0.0036 0.0038 -0.0074 673 ARG 87 CZ 0.0046 0.0078 -0.0065 674 ARG 87 NH1 0.0040 0.0105 -0.0041 675 ARG 87 NH2 0.0062 0.0092 -0.0081 676 LEU 88 N 0.0042 -0.0052 -0.0088 677 LEU 88 CA 0.0029 -0.0036 -0.0070 678 LEU 88 C 0.0029 -0.0046 -0.0043 679 LEU 88 O 0.0036 -0.0064 -0.0033 680 LEU 88 CB 0.0025 -0.0027 -0.0072 681 LEU 88 CG 0.0012 -0.0010 -0.0053 682 LEU 88 CD1 0.0000 0.0010 -0.0051 683 LEU 88 CD2 0.0009 -0.0002 -0.0060 684 ILE 89 N 0.0058 0.0097 0.0020 685 ILE 89 CA 0.0066 0.0100 0.0016 686 ILE 89 C 0.0071 0.0104 0.0014 687 ILE 89 O 0.0076 0.0111 0.0012 688 ILE 89 CB 0.0071 0.0092 0.0014 689 ILE 89 CG1 0.0067 0.0086 0.0016 690 ILE 89 CG2 0.0081 0.0094 0.0010 691 ILE 89 CD1 0.0065 0.0092 0.0017 692 ARG 90 N 0.0135 0.0168 0.0058 693 ARG 90 CA 0.0070 0.0138 0.0086 694 ARG 90 C -0.0005 0.0105 0.0111 695 ARG 90 O -0.0024 0.0103 0.0074 696 ARG 90 CB 0.0046 0.0139 0.0009 697 ARG 90 CG -0.0012 0.0114 0.0027 698 ARG 90 CD -0.0007 0.0125 -0.0047 699 ARG 90 NE 0.0078 0.0158 -0.0042 700 ARG 90 CZ 0.0135 0.0188 -0.0103 701 ARG 90 NH1 0.0120 0.0192 -0.0180 702 ARG 90 NH2 0.0210 0.0216 -0.0085 703 ILE 91 N -0.0048 0.0043 0.0095 704 ILE 91 CA -0.0039 0.0035 0.0096 705 ILE 91 C -0.0054 0.0032 0.0092 706 ILE 91 O -0.0070 0.0026 0.0088 707 ILE 91 CB -0.0028 0.0017 0.0096 708 ILE 91 CG1 -0.0012 0.0020 0.0099 709 ILE 91 CG2 -0.0019 0.0008 0.0096 710 ILE 91 CD1 -0.0004 0.0002 0.0098 711 LYS 92 N -0.0051 0.0017 0.0077 712 LYS 92 CA -0.0084 0.0008 0.0053 713 LYS 92 C -0.0091 -0.0028 0.0062 714 LYS 92 O -0.0071 -0.0037 0.0083 715 LYS 92 CB -0.0091 0.0040 0.0033 716 LYS 92 CG -0.0088 0.0079 0.0019 717 LYS 92 CD -0.0093 0.0108 0.0003 718 LYS 92 CE -0.0115 0.0132 -0.0027 719 LYS 92 NZ -0.0101 0.0160 -0.0027 720 GLY 93 N -0.0006 0.0047 0.0036 721 GLY 93 CA 0.0070 0.0048 0.0011 722 GLY 93 C 0.0100 0.0050 0.0006 723 GLY 93 O 0.0070 0.0052 0.0036 724 GLU 94 N 0.0176 0.0080 -0.0018 725 GLU 94 CA 0.0158 0.0092 0.0003 726 GLU 94 C 0.0135 0.0156 0.0109 727 GLU 94 O 0.0140 0.0188 0.0162 728 GLU 94 CB 0.0057 0.0052 -0.0050 729 GLU 94 CG 0.0068 -0.0015 -0.0159 730 GLU 94 CD -0.0037 -0.0051 -0.0205 731 GLU 94 OE1 -0.0025 -0.0094 -0.0277 732 GLU 94 OE2 -0.0129 -0.0034 -0.0168 733 GLU 95 N 0.0030 0.0079 -0.0148 734 GLU 95 CA -0.0018 0.0057 0.0063 735 GLU 95 C -0.0139 -0.0042 0.0441 736 GLU 95 O -0.0105 0.0097 0.0706 737 GLU 95 CB -0.0123 -0.0185 -0.0130 738 GLU 95 CG -0.0164 -0.0202 0.0048 739 GLU 95 CD 0.0002 0.0056 -0.0063 740 GLU 95 OE1 0.0056 0.0051 -0.0390 741 GLU 95 OE2 0.0079 0.0261 0.0175 742 ALA 96 N -0.0358 0.0235 0.0447 743 ALA 96 CA 0.0183 0.0300 0.0076 744 ALA 96 C 0.0739 -0.0033 -0.0232 745 ALA 96 O 0.1134 -0.0357 -0.0435 746 ALA 96 CB 0.0237 0.1077 -0.0102 747 GLY 97 N 0.0136 -0.0030 -0.0014 748 GLY 97 CA 0.0111 -0.0018 -0.0006 749 GLY 97 C 0.0073 0.0037 0.0059 750 GLY 97 O 0.0046 0.0065 0.0089 751 VAL 98 N 0.0031 0.0028 0.0067 752 VAL 98 CA 0.0023 0.0021 0.0076 753 VAL 98 C 0.0034 0.0047 0.0088 754 VAL 98 O 0.0051 0.0067 0.0075 755 VAL 98 CB 0.0022 0.0003 0.0050 756 VAL 98 CG1 0.0014 -0.0004 0.0059 757 VAL 98 CG2 0.0010 -0.0023 0.0040 758 THR 99 N 0.0045 0.0082 -0.0010 759 THR 99 CA 0.0040 0.0072 -0.0018 760 THR 99 C 0.0030 0.0015 -0.0038 761 THR 99 O 0.0015 0.0005 -0.0060 762 THR 99 CB 0.0070 0.0078 0.0023 763 THR 99 OG1 0.0098 0.0043 0.0057 764 THR 99 CG2 0.0079 0.0137 0.0042 765 ALA 100 N -0.0055 -0.0009 0.0010 766 ALA 100 CA -0.0051 -0.0004 0.0008 767 ALA 100 C -0.0042 0.0008 0.0012 768 ALA 100 O -0.0039 0.0013 0.0015 769 ALA 100 CB -0.0047 -0.0008 -0.0007 770 VAL 101 N -0.0061 0.0059 -0.0014 771 VAL 101 CA -0.0047 0.0041 -0.0012 772 VAL 101 C -0.0047 0.0049 -0.0019 773 VAL 101 O -0.0049 0.0069 -0.0031 774 VAL 101 CB -0.0025 0.0030 -0.0022 775 VAL 101 CG1 -0.0025 0.0018 -0.0014 776 VAL 101 CG2 -0.0014 0.0046 -0.0044 777 GLU 102 N -0.0027 0.0109 0.0028 778 GLU 102 CA -0.0002 0.0092 0.0007 779 GLU 102 C -0.0002 0.0100 0.0013 780 GLU 102 O 0.0009 0.0128 0.0030 781 GLU 102 CB 0.0037 0.0102 0.0001 782 GLU 102 CG 0.0067 0.0084 -0.0023 783 GLU 102 CD 0.0106 0.0097 -0.0026 784 GLU 102 OE1 0.0108 0.0113 -0.0014 785 GLU 102 OE2 0.0134 0.0092 -0.0039 786 VAL 103 N -0.0025 0.0003 0.0023 787 VAL 103 CA -0.0033 -0.0007 0.0015 788 VAL 103 C -0.0051 -0.0006 0.0037 789 VAL 103 O -0.0051 0.0008 0.0060 790 VAL 103 CB -0.0013 -0.0001 0.0002 791 VAL 103 CG1 0.0005 -0.0004 -0.0022 792 VAL 103 CG2 0.0002 0.0020 0.0020 793 ARG 104 N -0.0103 0.0126 0.0154 794 ARG 104 CA -0.0110 0.0111 0.0167 795 ARG 104 C -0.0153 0.0121 0.0182 796 ARG 104 O -0.0174 0.0152 0.0172 797 ARG 104 CB -0.0087 0.0127 0.0145 798 ARG 104 CG -0.0092 0.0114 0.0156 799 ARG 104 CD -0.0078 0.0138 0.0134 800 ARG 104 NE -0.0034 0.0128 0.0118 801 ARG 104 CZ -0.0012 0.0146 0.0096 802 ARG 104 NH1 -0.0027 0.0176 0.0084 803 ARG 104 NH2 0.0027 0.0132 0.0085 804 HIS 105 N -0.0293 0.0118 0.0120 805 HIS 105 CA -0.0185 0.0046 0.0039 806 HIS 105 C -0.0057 -0.0039 0.0110 807 HIS 105 O -0.0043 -0.0049 0.0139 808 HIS 105 CB -0.0188 0.0048 -0.0131 809 HIS 105 CG -0.0147 0.0020 -0.0243 810 HIS 105 ND1 -0.0236 0.0079 -0.0297 811 HIS 105 CD2 -0.0031 -0.0058 -0.0306 812 HIS 105 CE1 -0.0173 0.0037 -0.0391 813 HIS 105 NE2 -0.0047 -0.0047 -0.0402 814 PRO 106 N -0.0046 -0.0012 0.0004 815 PRO 106 CA -0.0036 -0.0049 0.0025 816 PRO 106 C -0.0039 0.0052 -0.0038 817 PRO 106 O 0.0045 0.0125 -0.0096 818 PRO 106 CB 0.0098 -0.0127 0.0056 819 PRO 106 CG 0.0117 -0.0175 0.0085 820 PRO 106 CD 0.0061 -0.0073 0.0027 821 GLY 107 N 0.0372 0.0001 0.0060 822 GLY 107 CA 0.0265 0.0287 -0.0024 823 GLY 107 C 0.0176 0.0321 -0.0107 824 GLY 107 O 0.0033 0.0511 -0.0231 825 GLU 108 N -0.0059 0.0381 -0.0162 826 GLU 108 CA 0.0057 0.0082 -0.0182 827 GLU 108 C 0.0304 0.0038 -0.0406 828 GLU 108 O 0.0411 -0.0128 -0.0458 829 GLU 108 CB -0.0007 -0.0114 -0.0062 830 GLU 108 CG -0.0231 -0.0197 0.0178 831 GLU 108 CD -0.0229 -0.0409 0.0241 832 GLU 108 OE1 -0.0049 -0.0534 0.0106 833 GLU 108 OE2 -0.0412 -0.0450 0.0429 834 SER 109 N -0.0145 0.0364 0.0354 835 SER 109 CA -0.0059 0.0345 0.0138 836 SER 109 C 0.0231 0.0173 0.0104 837 SER 109 O 0.0341 0.0145 -0.0142 838 SER 109 CB -0.0190 0.0420 0.0178 839 SER 109 OG -0.0147 0.0436 -0.0087 840 ASP 110 N 0.0295 -0.0059 0.0250 841 ASP 110 CA -0.0019 0.0215 0.0283 842 ASP 110 C -0.0238 0.0402 0.0292 843 ASP 110 O -0.0215 0.0339 0.0092 844 ASP 110 CB -0.0138 0.0241 -0.0062 845 ASP 110 CG 0.0016 0.0126 0.0012 846 ASP 110 OD1 -0.0042 0.0241 0.0313 847 ASP 110 OD2 0.0190 -0.0073 -0.0228 848 SER 111 N 0.0099 -0.0183 0.0174 849 SER 111 CA 0.0063 -0.0159 0.0196 850 SER 111 C 0.0093 -0.0379 0.0306 851 SER 111 O 0.0200 -0.0555 0.0304 852 SER 111 CB 0.0184 -0.0065 0.0006 853 SER 111 OG 0.0165 0.0150 -0.0112 854 GLN 112 N -0.0111 -0.0047 0.0103 855 GLN 112 CA -0.0113 0.0020 0.0068 856 GLN 112 C -0.0111 0.0083 0.0063 857 GLN 112 O -0.0115 0.0068 0.0042 858 GLN 112 CB -0.0127 0.0002 -0.0013 859 GLN 112 CG -0.0129 0.0053 -0.0040 860 GLN 112 CD -0.0142 0.0060 -0.0126 861 GLN 112 OE1 -0.0146 0.0100 -0.0161 862 GLN 112 NE2 -0.0150 0.0019 -0.0161 863 GLU 113 N -0.0115 0.0119 -0.0026 864 GLU 113 CA -0.0122 0.0100 -0.0018 865 GLU 113 C -0.0132 0.0080 0.0008 866 GLU 113 O -0.0137 0.0064 0.0007 867 GLU 113 CB -0.0126 0.0083 -0.0047 868 GLU 113 CG -0.0132 0.0067 -0.0041 869 GLU 113 CD -0.0133 0.0059 -0.0071 870 GLU 113 OE1 -0.0124 0.0080 -0.0086 871 GLU 113 OE2 -0.0141 0.0032 -0.0078 872 LEU 114 N -0.0073 0.0016 -0.0053 873 LEU 114 CA -0.0057 0.0019 -0.0059 874 LEU 114 C -0.0075 0.0002 -0.0046 875 LEU 114 O -0.0077 -0.0025 -0.0032 876 LEU 114 CB -0.0021 0.0005 -0.0063 877 LEU 114 CG 0.0002 0.0022 -0.0078 878 LEU 114 CD1 0.0034 0.0003 -0.0078 879 LEU 114 CD2 0.0007 0.0052 -0.0094 880 LEU 115 N -0.0105 -0.0047 -0.0083 881 LEU 115 CA -0.0050 -0.0062 -0.0135 882 LEU 115 C -0.0076 -0.0040 -0.0139 883 LEU 115 O -0.0112 -0.0045 -0.0077 884 LEU 115 CB 0.0020 -0.0131 -0.0108 885 LEU 115 CG 0.0051 -0.0158 -0.0102 886 LEU 115 CD1 0.0097 -0.0226 -0.0043 887 LEU 115 CD2 0.0095 -0.0148 -0.0184 888 ALA 116 N 0.0003 0.0002 -0.0203 889 ALA 116 CA -0.0012 0.0017 -0.0183 890 ALA 116 C -0.0021 0.0040 -0.0143 891 ALA 116 O -0.0000 0.0042 -0.0126 892 ALA 116 CB 0.0020 0.0009 -0.0178 893 GLU 117 N 0.0008 0.0108 -0.0262 894 GLU 117 CA -0.0077 0.0080 -0.0104 895 GLU 117 C 0.0028 0.0021 0.0025 896 GLU 117 O -0.0003 -0.0013 0.0168 897 GLU 117 CB -0.0233 0.0111 -0.0105 898 GLU 117 CG -0.0366 0.0165 -0.0201 899 GLU 117 CD -0.0492 0.0207 -0.0259 900 GLU 117 OE1 -0.0452 0.0233 -0.0375 901 GLU 117 OE2 -0.0630 0.0213 -0.0184 902 GLY 118 N -0.0003 0.0046 -0.0021 903 GLY 118 CA 0.0002 0.0055 -0.0007 904 GLY 118 C 0.0020 0.0051 -0.0012 905 GLY 118 O 0.0020 0.0041 -0.0027 906 VAL 119 N -0.0042 0.0011 -0.0009 907 VAL 119 CA -0.0047 0.0004 -0.0008 908 VAL 119 C -0.0054 0.0009 -0.0015 909 VAL 119 O -0.0051 0.0016 -0.0017 910 VAL 119 CB -0.0042 -0.0000 -0.0003 911 VAL 119 CG1 -0.0048 -0.0008 -0.0003 912 VAL 119 CG2 -0.0035 -0.0005 0.0004 913 PHE 120 N -0.0058 0.0059 0.0016 914 PHE 120 CA -0.0059 0.0036 -0.0025 915 PHE 120 C -0.0101 0.0020 -0.0020 916 PHE 120 O -0.0108 0.0030 0.0004 917 PHE 120 CB -0.0018 0.0045 -0.0039 918 PHE 120 CG 0.0024 0.0058 -0.0049 919 PHE 120 CD1 0.0045 0.0086 -0.0016 920 PHE 120 CD2 0.0043 0.0043 -0.0090 921 PHE 120 CE1 0.0085 0.0097 -0.0026 922 PHE 120 CE2 0.0082 0.0054 -0.0100 923 PHE 120 CZ 0.0103 0.0082 -0.0068 924 VAL 121 N -0.0217 -0.0080 -0.0138 925 VAL 121 CA -0.0270 -0.0091 -0.0131 926 VAL 121 C -0.0293 -0.0104 -0.0170 927 VAL 121 O -0.0289 -0.0112 -0.0215 928 VAL 121 CB -0.0294 -0.0097 -0.0133 929 VAL 121 CG1 -0.0351 -0.0108 -0.0122 930 VAL 121 CG2 -0.0271 -0.0084 -0.0095 931 TYR 122 N -0.0266 -0.0053 -0.0082 932 TYR 122 CA -0.0246 -0.0071 -0.0089 933 TYR 122 C -0.0285 -0.0047 -0.0082 934 TYR 122 O -0.0273 -0.0012 -0.0058 935 TYR 122 CB -0.0185 -0.0061 -0.0068 936 TYR 122 CG -0.0148 -0.0084 -0.0074 937 TYR 122 CD1 -0.0136 -0.0135 -0.0103 938 TYR 122 CD2 -0.0127 -0.0055 -0.0051 939 TYR 122 CE1 -0.0105 -0.0157 -0.0110 940 TYR 122 CE2 -0.0095 -0.0077 -0.0058 941 TYR 122 CZ -0.0085 -0.0128 -0.0087 942 TYR 122 OH -0.0054 -0.0149 -0.0094 943 LEU 123 N -0.0294 0.0122 -0.0289 944 LEU 123 CA -0.0304 0.0127 -0.0288 945 LEU 123 C -0.0319 0.0171 -0.0304 946 LEU 123 O -0.0301 0.0198 -0.0323 947 LEU 123 CB -0.0266 0.0114 -0.0295 948 LEU 123 CG -0.0246 0.0071 -0.0281 949 LEU 123 CD1 -0.0206 0.0063 -0.0291 950 LEU 123 CD2 -0.0275 0.0041 -0.0257 951 GLN 124 N 0.0104 0.0489 -0.0101 952 GLN 124 CA 0.0107 0.0432 -0.0120 953 GLN 124 C 0.0109 0.0371 -0.0042 954 GLN 124 O 0.0109 0.0342 0.0011 955 GLN 124 CB 0.0109 0.0379 -0.0208 956 GLN 124 CG 0.0107 0.0444 -0.0290 957 GLN 124 CD 0.0110 0.0395 -0.0374 958 GLN 124 OE1 0.0112 0.0347 -0.0372 959 GLN 124 NE2 0.0110 0.0412 -0.0451 960 GLY 125 N -0.0332 -0.0191 -0.0318 961 GLY 125 CA 0.0014 -0.0253 0.0023 962 GLY 125 C 0.0217 -0.0247 0.0497 963 GLY 125 O 0.0130 -0.0212 0.0540 964 SER 126 N -0.0404 -0.1118 0.0399 965 SER 126 CA -0.0328 -0.0331 0.0580 966 SER 126 C -0.0328 -0.0638 0.0304 967 SER 126 O -0.0212 -0.0003 0.0076 968 SER 126 CB -0.0113 0.0607 -0.0058 969 SER 126 OG 0.0014 0.0394 -0.1128 970 LYS 127 N -0.0229 -0.0187 0.0409 971 LYS 127 CA 0.0114 -0.0019 0.0015 972 LYS 127 C 0.0168 0.0013 -0.0054 973 LYS 127 O -0.0068 -0.0109 0.0225 974 LYS 127 CB 0.0630 -0.0234 0.0005 975 LYS 127 CG 0.0626 -0.0303 0.0093 976 LYS 127 CD 0.0601 0.0016 -0.0291 977 LYS 127 CE 0.0321 0.0035 -0.0164 978 LYS 127 NZ -0.0165 0.0329 -0.0269 979 LYS 127 OXT 0.0477 0.0137 -0.0375