1 PRO 1 N 0.0015 0.0077 -0.0066 2 PRO 1 CA 0.0007 0.0076 -0.0072 3 PRO 1 C 0.0001 0.0068 -0.0071 4 PRO 1 O 0.0002 0.0063 -0.0066 5 PRO 1 CB 0.0008 0.0078 -0.0074 6 PRO 1 CG 0.0015 0.0079 -0.0067 7 PRO 1 CD 0.0018 0.0075 -0.0062 8 GLU 2 N -0.0024 0.0054 -0.0069 9 GLU 2 CA -0.0004 0.0066 -0.0078 10 GLU 2 C 0.0008 0.0047 -0.0073 11 GLU 2 O 0.0018 0.0025 -0.0066 12 GLU 2 CB 0.0019 0.0076 -0.0088 13 GLU 2 CG 0.0007 0.0100 -0.0095 14 GLU 2 CD 0.0028 0.0110 -0.0104 15 GLU 2 OE1 0.0030 0.0134 -0.0114 16 GLU 2 OE2 0.0040 0.0093 -0.0099 17 PHE 3 N 0.0022 0.0046 -0.0075 18 PHE 3 CA 0.0024 0.0036 -0.0076 19 PHE 3 C 0.0040 0.0038 -0.0080 20 PHE 3 O 0.0045 0.0050 -0.0082 21 PHE 3 CB 0.0014 0.0041 -0.0073 22 PHE 3 CG -0.0002 0.0038 -0.0068 23 PHE 3 CD1 -0.0008 0.0024 -0.0066 24 PHE 3 CD2 -0.0011 0.0048 -0.0065 25 PHE 3 CE1 -0.0023 0.0020 -0.0061 26 PHE 3 CE2 -0.0026 0.0045 -0.0061 27 PHE 3 CZ -0.0032 0.0031 -0.0059 28 LEU 4 N 0.0062 0.0023 -0.0054 29 LEU 4 CA 0.0078 0.0023 -0.0056 30 LEU 4 C 0.0084 0.0026 -0.0058 31 LEU 4 O 0.0082 0.0019 -0.0054 32 LEU 4 CB 0.0084 0.0011 -0.0050 33 LEU 4 CG 0.0079 0.0007 -0.0047 34 LEU 4 CD1 0.0084 -0.0006 -0.0040 35 LEU 4 CD2 0.0085 0.0016 -0.0053 36 GLY 5 N 0.0059 0.0037 -0.0048 37 GLY 5 CA 0.0067 0.0040 -0.0051 38 GLY 5 C 0.0077 0.0032 -0.0047 39 GLY 5 O 0.0080 0.0027 -0.0044 40 GLU 6 N 0.0068 0.0015 -0.0037 41 GLU 6 CA 0.0084 0.0004 -0.0034 42 GLU 6 C 0.0094 0.0006 -0.0045 43 GLU 6 O 0.0105 -0.0002 -0.0041 44 GLU 6 CB 0.0096 -0.0001 -0.0036 45 GLU 6 CG 0.0089 -0.0007 -0.0023 46 GLU 6 CD 0.0101 -0.0012 -0.0025 47 GLU 6 OE1 0.0106 -0.0024 -0.0013 48 GLU 6 OE2 0.0105 -0.0005 -0.0038 49 GLU 7 N 0.0100 0.0020 -0.0044 50 GLU 7 CA 0.0108 0.0024 -0.0051 51 GLU 7 C 0.0100 0.0020 -0.0043 52 GLU 7 O 0.0111 0.0018 -0.0044 53 GLU 7 CB 0.0105 0.0038 -0.0070 54 GLU 7 CG 0.0114 0.0043 -0.0079 55 GLU 7 CD 0.0116 0.0057 -0.0098 56 GLU 7 OE1 0.0131 0.0059 -0.0106 57 GLU 7 OE2 0.0103 0.0065 -0.0104 58 ASP 8 N 0.0097 0.0025 -0.0044 59 ASP 8 CA 0.0093 0.0021 -0.0040 60 ASP 8 C 0.0096 0.0012 -0.0031 61 ASP 8 O 0.0093 0.0007 -0.0027 62 ASP 8 CB 0.0081 0.0022 -0.0040 63 ASP 8 CG 0.0077 0.0031 -0.0048 64 ASP 8 OD1 0.0082 0.0034 -0.0051 65 ASP 8 OD2 0.0069 0.0034 -0.0050 66 ILE 9 N 0.0094 0.0003 -0.0023 67 ILE 9 CA 0.0097 -0.0003 -0.0016 68 ILE 9 C 0.0104 -0.0005 -0.0018 69 ILE 9 O 0.0110 -0.0004 -0.0022 70 ILE 9 CB 0.0100 -0.0006 -0.0013 71 ILE 9 CG1 0.0092 -0.0004 -0.0012 72 ILE 9 CG2 0.0103 -0.0013 -0.0006 73 ILE 9 CD1 0.0095 -0.0007 -0.0009 74 PRO 10 N 0.0104 -0.0009 -0.0005 75 PRO 10 CA 0.0107 -0.0010 -0.0007 76 PRO 10 C 0.0103 -0.0011 -0.0008 77 PRO 10 O 0.0100 -0.0014 -0.0010 78 PRO 10 CB 0.0110 -0.0013 -0.0010 79 PRO 10 CG 0.0111 -0.0012 -0.0009 80 PRO 10 CD 0.0106 -0.0011 -0.0007 81 ARG 11 N 0.0087 -0.0016 -0.0012 82 ARG 11 CA 0.0097 -0.0017 -0.0010 83 ARG 11 C 0.0100 -0.0018 -0.0004 84 ARG 11 O 0.0108 -0.0019 -0.0003 85 ARG 11 CB 0.0102 -0.0015 -0.0019 86 ARG 11 CG 0.0101 -0.0013 -0.0025 87 ARG 11 CD 0.0107 -0.0012 -0.0033 88 ARG 11 NE 0.0105 -0.0010 -0.0039 89 ARG 11 CZ 0.0110 -0.0009 -0.0045 90 ARG 11 NH1 0.0117 -0.0009 -0.0048 91 ARG 11 NH2 0.0107 -0.0008 -0.0049 92 GLU 12 N 0.0101 -0.0012 0.0003 93 GLU 12 CA 0.0103 -0.0015 0.0000 94 GLU 12 C 0.0099 -0.0018 -0.0010 95 GLU 12 O 0.0098 -0.0020 -0.0016 96 GLU 12 CB 0.0113 -0.0020 0.0002 97 GLU 12 CG 0.0117 -0.0017 0.0013 98 GLU 12 CD 0.0127 -0.0022 0.0016 99 GLU 12 OE1 0.0130 -0.0020 0.0024 100 GLU 12 OE2 0.0131 -0.0027 0.0009 101 PRO 13 N 0.0090 -0.0020 0.0007 102 PRO 13 CA 0.0087 -0.0019 -0.0007 103 PRO 13 C 0.0103 -0.0013 -0.0015 104 PRO 13 O 0.0112 -0.0009 -0.0019 105 PRO 13 CB 0.0076 -0.0021 -0.0019 106 PRO 13 CG 0.0067 -0.0025 -0.0008 107 PRO 13 CD 0.0080 -0.0023 0.0005 108 ARG 14 N 0.0120 0.0010 -0.0036 109 ARG 14 CA 0.0121 0.0010 -0.0037 110 ARG 14 C 0.0119 0.0003 -0.0039 111 ARG 14 O 0.0114 -0.0002 -0.0038 112 ARG 14 CB 0.0118 0.0016 -0.0031 113 ARG 14 CG 0.0110 0.0014 -0.0027 114 ARG 14 CD 0.0108 0.0021 -0.0021 115 ARG 14 NE 0.0100 0.0019 -0.0017 116 ARG 14 CZ 0.0096 0.0018 -0.0014 117 ARG 14 NH1 0.0098 0.0019 -0.0015 118 ARG 14 NH2 0.0089 0.0016 -0.0010 119 ARG 15 N 0.0183 0.0035 -0.0059 120 ARG 15 CA 0.0176 0.0010 -0.0079 121 ARG 15 C 0.0163 0.0010 -0.0073 122 ARG 15 O 0.0178 0.0022 -0.0069 123 ARG 15 CB 0.0205 0.0001 -0.0099 124 ARG 15 CG 0.0199 -0.0025 -0.0120 125 ARG 15 CD 0.0228 -0.0033 -0.0140 126 ARG 15 NE 0.0222 -0.0059 -0.0161 127 ARG 15 CZ 0.0228 -0.0066 -0.0169 128 ARG 15 NH1 0.0239 -0.0050 -0.0160 129 ARG 15 NH2 0.0221 -0.0089 -0.0187 130 ILE 16 N 0.0151 -0.0005 -0.0081 131 ILE 16 CA 0.0135 -0.0006 -0.0071 132 ILE 16 C 0.0130 -0.0029 -0.0081 133 ILE 16 O 0.0128 -0.0047 -0.0089 134 ILE 16 CB 0.0113 -0.0002 -0.0054 135 ILE 16 CG1 0.0118 0.0021 -0.0044 136 ILE 16 CG2 0.0096 -0.0003 -0.0043 137 ILE 16 CD1 0.0099 0.0024 -0.0030 138 VAL 17 N 0.0147 -0.0032 -0.0083 139 VAL 17 CA 0.0140 -0.0064 -0.0104 140 VAL 17 C 0.0108 -0.0068 -0.0090 141 VAL 17 O 0.0110 -0.0049 -0.0077 142 VAL 17 CB 0.0173 -0.0068 -0.0125 143 VAL 17 CG1 0.0165 -0.0101 -0.0147 144 VAL 17 CG2 0.0205 -0.0064 -0.0138 145 ILE 18 N 0.0094 -0.0077 -0.0118 146 ILE 18 CA 0.0057 -0.0087 -0.0090 147 ILE 18 C 0.0051 -0.0125 -0.0106 148 ILE 18 O 0.0055 -0.0159 -0.0129 149 ILE 18 CB 0.0027 -0.0095 -0.0068 150 ILE 18 CG1 0.0035 -0.0055 -0.0054 151 ILE 18 CG2 -0.0011 -0.0103 -0.0038 152 ILE 18 CD1 0.0007 -0.0060 -0.0031 153 HIS 19 N 0.0030 -0.0103 -0.0088 154 HIS 19 CA 0.0011 -0.0151 -0.0111 155 HIS 19 C -0.0050 -0.0167 -0.0094 156 HIS 19 O -0.0079 -0.0141 -0.0064 157 HIS 19 CB 0.0031 -0.0148 -0.0119 158 HIS 19 CG 0.0091 -0.0137 -0.0139 159 HIS 19 ND1 0.0124 -0.0169 -0.0175 160 HIS 19 CD2 0.0124 -0.0093 -0.0125 161 HIS 19 CE1 0.0175 -0.0144 -0.0182 162 HIS 19 NE2 0.0178 -0.0098 -0.0152 163 ARG 20 N -0.0039 -0.0161 -0.0198 164 ARG 20 CA -0.0088 -0.0196 -0.0167 165 ARG 20 C -0.0138 -0.0202 -0.0133 166 ARG 20 O -0.0133 -0.0230 -0.0139 167 ARG 20 CB -0.0070 -0.0266 -0.0187 168 ARG 20 CG -0.0117 -0.0303 -0.0159 169 ARG 20 CD -0.0101 -0.0375 -0.0177 170 ARG 20 NE -0.0049 -0.0374 -0.0213 171 ARG 20 CZ -0.0044 -0.0366 -0.0216 172 ARG 20 NH1 -0.0087 -0.0355 -0.0185 173 ARG 20 NH2 0.0004 -0.0369 -0.0250 174 GLY 21 N -0.0188 -0.0146 0.0107 175 GLY 21 CA -0.0227 -0.0103 0.0299 176 GLY 21 C -0.0232 -0.0279 0.0405 177 GLY 21 O -0.0205 -0.0438 0.0332 178 SER 22 N -0.0653 -0.0339 0.1210 179 SER 22 CA -0.0686 -0.0735 0.1533 180 SER 22 C -0.0523 -0.0812 0.1447 181 SER 22 O -0.0370 -0.1193 0.1597 182 SER 22 CB -0.1147 -0.0683 0.1898 183 SER 22 OG -0.1410 -0.0269 0.1819 184 THR 23 N -0.0359 -0.0526 0.0831 185 THR 23 CA -0.0270 -0.0558 0.0761 186 THR 23 C -0.0136 -0.0575 0.0609 187 THR 23 O -0.0066 -0.0581 0.0523 188 THR 23 CB -0.0365 -0.0454 0.0723 189 THR 23 OG1 -0.0435 -0.0329 0.0619 190 THR 23 CG2 -0.0486 -0.0448 0.0877 191 GLY 24 N -0.0107 -0.0540 0.0425 192 GLY 24 CA -0.0031 -0.0577 0.0247 193 GLY 24 C -0.0063 -0.0427 0.0114 194 GLY 24 O -0.0138 -0.0291 0.0137 195 LEU 25 N -0.0048 -0.0287 0.0066 196 LEU 25 CA -0.0035 -0.0220 0.0021 197 LEU 25 C -0.0057 -0.0171 0.0058 198 LEU 25 O -0.0054 -0.0105 0.0034 199 LEU 25 CB 0.0000 -0.0251 -0.0051 200 LEU 25 CG 0.0025 -0.0289 -0.0098 201 LEU 25 CD1 0.0058 -0.0326 -0.0162 202 LEU 25 CD2 0.0032 -0.0229 -0.0128 203 GLY 26 N -0.0072 -0.0236 0.0168 204 GLY 26 CA -0.0115 -0.0175 0.0192 205 GLY 26 C -0.0086 -0.0145 0.0142 206 GLY 26 O -0.0110 -0.0073 0.0137 207 PHE 27 N 0.0007 -0.0090 0.0088 208 PHE 27 CA 0.0027 -0.0080 0.0057 209 PHE 27 C 0.0057 -0.0118 0.0059 210 PHE 27 O 0.0070 -0.0151 0.0076 211 PHE 27 CB 0.0043 -0.0054 0.0017 212 PHE 27 CG 0.0074 -0.0076 0.0004 213 PHE 27 CD1 0.0065 -0.0073 0.0010 214 PHE 27 CD2 0.0111 -0.0100 -0.0015 215 PHE 27 CE1 0.0094 -0.0092 -0.0003 216 PHE 27 CE2 0.0140 -0.0119 -0.0028 217 PHE 27 CZ 0.0131 -0.0115 -0.0022 218 ASN 28 N 0.0109 -0.0061 0.0032 219 ASN 28 CA 0.0162 -0.0082 0.0028 220 ASN 28 C 0.0196 -0.0070 -0.0019 221 ASN 28 O 0.0177 -0.0041 -0.0055 222 ASN 28 CB 0.0163 -0.0082 0.0027 223 ASN 28 CG 0.0136 -0.0097 0.0075 224 ASN 28 OD1 0.0127 -0.0116 0.0115 225 ASN 28 ND2 0.0122 -0.0090 0.0073 226 ILE 29 N 0.0302 -0.0000 -0.0071 227 ILE 29 CA 0.0268 -0.0017 -0.0062 228 ILE 29 C 0.0278 -0.0027 -0.0064 229 ILE 29 O 0.0303 -0.0009 -0.0072 230 ILE 29 CB 0.0233 0.0010 -0.0053 231 ILE 29 CG1 0.0239 0.0052 -0.0055 232 ILE 29 CG2 0.0220 0.0013 -0.0049 233 ILE 29 CD1 0.0203 0.0078 -0.0046 234 VAL 30 N 0.0291 -0.0024 -0.0046 235 VAL 30 CA 0.0305 -0.0026 -0.0053 236 VAL 30 C 0.0263 -0.0030 -0.0034 237 VAL 30 O 0.0225 -0.0040 -0.0019 238 VAL 30 CB 0.0332 -0.0067 -0.0080 239 VAL 30 CG1 0.0377 -0.0060 -0.0099 240 VAL 30 CG2 0.0305 -0.0115 -0.0085 241 GLY 31 N 0.0264 -0.0070 -0.0017 242 GLY 31 CA 0.0183 -0.0085 -0.0002 243 GLY 31 C 0.0137 -0.0009 -0.0007 244 GLY 31 O 0.0170 0.0051 -0.0022 245 GLY 32 N 0.0052 -0.0016 -0.0007 246 GLY 32 CA -0.0022 0.0058 -0.0020 247 GLY 32 C -0.0056 0.0043 -0.0014 248 GLY 32 O -0.0107 0.0107 -0.0026 249 GLU 33 N -0.0010 -0.0084 -0.0013 250 GLU 33 CA -0.0073 -0.0138 0.0008 251 GLU 33 C -0.0175 -0.0225 0.0040 252 GLU 33 O -0.0161 -0.0278 0.0063 253 GLU 33 CB 0.0027 -0.0198 0.0035 254 GLU 33 CG 0.0123 -0.0107 0.0000 255 GLU 33 CD 0.0232 -0.0160 0.0025 256 GLU 33 OE1 0.0317 -0.0088 -0.0002 257 GLU 33 OE2 0.0232 -0.0268 0.0069 258 ASP 34 N -0.0327 -0.0288 0.0007 259 ASP 34 CA -0.0440 -0.0383 0.0049 260 ASP 34 C -0.0451 -0.0365 0.0031 261 ASP 34 O -0.0509 -0.0453 0.0084 262 ASP 34 CB -0.0419 -0.0517 0.0162 263 ASP 34 CG -0.0435 -0.0535 0.0171 264 ASP 34 OD1 -0.0531 -0.0478 0.0097 265 ASP 34 OD2 -0.0355 -0.0604 0.0251 266 GLY 35 N -0.0357 -0.0229 0.0026 267 GLY 35 CA -0.0372 -0.0220 0.0018 268 GLY 35 C -0.0316 -0.0253 0.0046 269 GLY 35 O -0.0330 -0.0256 0.0046 270 GLU 36 N -0.0274 -0.0295 0.0019 271 GLU 36 CA -0.0196 -0.0335 0.0058 272 GLU 36 C -0.0150 -0.0244 0.0035 273 GLU 36 O -0.0119 -0.0268 0.0053 274 GLU 36 CB -0.0093 -0.0382 0.0107 275 GLU 36 CG -0.0129 -0.0486 0.0138 276 GLU 36 CD -0.0025 -0.0548 0.0193 277 GLU 36 OE1 -0.0045 -0.0652 0.0229 278 GLU 36 OE2 0.0073 -0.0495 0.0201 279 GLY 37 N -0.0137 -0.0151 0.0028 280 GLY 37 CA -0.0119 -0.0100 0.0018 281 GLY 37 C -0.0031 -0.0075 0.0011 282 GLY 37 O 0.0017 -0.0094 0.0014 283 ILE 38 N -0.0002 -0.0045 0.0004 284 ILE 38 CA 0.0051 -0.0025 -0.0014 285 ILE 38 C 0.0082 -0.0066 -0.0012 286 ILE 38 O 0.0062 -0.0082 -0.0004 287 ILE 38 CB 0.0046 0.0031 -0.0025 288 ILE 38 CG1 0.0012 0.0073 -0.0025 289 ILE 38 CG2 0.0102 0.0053 -0.0044 290 ILE 38 CD1 0.0033 0.0085 -0.0033 291 PHE 39 N 0.0119 -0.0071 -0.0023 292 PHE 39 CA 0.0151 -0.0096 -0.0016 293 PHE 39 C 0.0198 -0.0075 -0.0024 294 PHE 39 O 0.0214 -0.0054 -0.0031 295 PHE 39 CB 0.0156 -0.0143 -0.0001 296 PHE 39 CG 0.0111 -0.0167 0.0008 297 PHE 39 CD1 0.0097 -0.0194 0.0017 298 PHE 39 CD2 0.0083 -0.0163 0.0008 299 PHE 39 CE1 0.0055 -0.0216 0.0025 300 PHE 39 CE2 0.0041 -0.0186 0.0016 301 PHE 39 CZ 0.0027 -0.0212 0.0025 302 ILE 40 N 0.0157 -0.0054 -0.0055 303 ILE 40 CA 0.0149 -0.0051 -0.0043 304 ILE 40 C 0.0155 -0.0053 -0.0051 305 ILE 40 O 0.0150 -0.0051 -0.0066 306 ILE 40 CB 0.0129 -0.0043 -0.0043 307 ILE 40 CG1 0.0123 -0.0041 -0.0036 308 ILE 40 CG2 0.0121 -0.0040 -0.0031 309 ILE 40 CD1 0.0129 -0.0043 -0.0017 310 SER 41 N 0.0182 -0.0033 -0.0063 311 SER 41 CA 0.0181 -0.0023 -0.0087 312 SER 41 C 0.0141 -0.0025 -0.0087 313 SER 41 O 0.0129 -0.0014 -0.0115 314 SER 41 CB 0.0216 -0.0026 -0.0076 315 SER 41 OG 0.0214 -0.0042 -0.0038 316 PHE 42 N 0.0131 -0.0028 -0.0090 317 PHE 42 CA 0.0074 -0.0019 -0.0059 318 PHE 42 C 0.0040 -0.0019 -0.0029 319 PHE 42 O 0.0066 -0.0043 -0.0009 320 PHE 42 CB 0.0082 -0.0048 -0.0015 321 PHE 42 CG 0.0026 -0.0043 0.0025 322 PHE 42 CD1 0.0010 -0.0067 0.0079 323 PHE 42 CD2 -0.0011 -0.0015 0.0007 324 PHE 42 CE1 -0.0042 -0.0062 0.0116 325 PHE 42 CE2 -0.0063 -0.0011 0.0044 326 PHE 42 CZ -0.0079 -0.0034 0.0098 327 ILE 43 N -0.0013 0.0020 0.0008 328 ILE 43 CA -0.0043 0.0002 0.0034 329 ILE 43 C -0.0104 -0.0005 0.0060 330 ILE 43 O -0.0137 0.0027 0.0042 331 ILE 43 CB -0.0049 0.0035 0.0007 332 ILE 43 CG1 0.0013 0.0039 -0.0017 333 ILE 43 CG2 -0.0086 0.0017 0.0034 334 ILE 43 CD1 0.0013 0.0072 -0.0046 335 LEU 44 N -0.0182 0.0002 0.0142 336 LEU 44 CA -0.0270 -0.0008 0.0215 337 LEU 44 C -0.0342 0.0062 0.0213 338 LEU 44 O -0.0333 0.0058 0.0209 339 LEU 44 CB -0.0258 -0.0104 0.0283 340 LEU 44 CG -0.0347 -0.0123 0.0365 341 LEU 44 CD1 -0.0385 -0.0117 0.0389 342 LEU 44 CD2 -0.0328 -0.0216 0.0426 343 ALA 45 N -0.0430 0.0097 0.0229 344 ALA 45 CA -0.0507 0.0174 0.0235 345 ALA 45 C -0.0554 0.0119 0.0304 346 ALA 45 O -0.0585 0.0043 0.0374 347 ALA 45 CB -0.0591 0.0245 0.0249 348 GLY 46 N -0.0512 0.0137 0.0287 349 GLY 46 CA -0.0532 0.0100 0.0320 350 GLY 46 C -0.0477 0.0017 0.0320 351 GLY 46 O -0.0491 -0.0021 0.0349 352 GLY 47 N -0.0385 0.0019 0.0288 353 GLY 47 CA -0.0334 -0.0055 0.0265 354 GLY 47 C -0.0271 -0.0035 0.0213 355 GLY 47 O -0.0261 0.0039 0.0190 356 PRO 48 N -0.0235 -0.0035 0.0199 357 PRO 48 CA -0.0191 -0.0020 0.0153 358 PRO 48 C -0.0163 0.0015 0.0128 359 PRO 48 O -0.0136 0.0057 0.0106 360 PRO 48 CB -0.0177 -0.0083 0.0126 361 PRO 48 CG -0.0218 -0.0121 0.0163 362 PRO 48 CD -0.0251 -0.0098 0.0204 363 ALA 49 N -0.0087 -0.0045 0.0092 364 ALA 49 CA -0.0058 -0.0008 0.0065 365 ALA 49 C -0.0082 0.0050 0.0066 366 ALA 49 O -0.0059 0.0086 0.0043 367 ALA 49 CB -0.0047 -0.0025 0.0062 368 ASP 50 N -0.0143 0.0062 0.0118 369 ASP 50 CA -0.0194 0.0140 0.0114 370 ASP 50 C -0.0201 0.0148 0.0114 371 ASP 50 O -0.0183 0.0213 0.0092 372 ASP 50 CB -0.0282 0.0138 0.0141 373 ASP 50 CG -0.0339 0.0220 0.0138 374 ASP 50 OD1 -0.0308 0.0289 0.0111 375 ASP 50 OD2 -0.0416 0.0211 0.0164 376 LEU 51 N -0.0216 0.0126 0.0151 377 LEU 51 CA -0.0216 0.0128 0.0151 378 LEU 51 C -0.0146 0.0141 0.0122 379 LEU 51 O -0.0143 0.0169 0.0116 380 LEU 51 CB -0.0241 0.0057 0.0173 381 LEU 51 CG -0.0317 0.0045 0.0204 382 LEU 51 CD1 -0.0333 -0.0030 0.0224 383 LEU 51 CD2 -0.0365 0.0101 0.0212 384 SER 52 N -0.0057 0.0106 0.0094 385 SER 52 CA -0.0016 0.0121 0.0061 386 SER 52 C -0.0009 0.0174 0.0059 387 SER 52 O 0.0020 0.0198 0.0038 388 SER 52 CB 0.0008 0.0084 0.0039 389 SER 52 OG 0.0004 0.0090 0.0042 390 GLY 53 N -0.0035 0.0185 0.0086 391 GLY 53 CA -0.0029 0.0222 0.0097 392 GLY 53 C -0.0014 0.0214 0.0064 393 GLY 53 O -0.0010 0.0241 0.0073 394 GLU 54 N 0.0020 0.0127 0.0041 395 GLU 54 CA 0.0052 0.0129 0.0012 396 GLU 54 C 0.0051 0.0103 0.0012 397 GLU 54 O 0.0069 0.0115 -0.0004 398 GLU 54 CB 0.0079 0.0113 -0.0013 399 GLU 54 CG 0.0084 0.0141 -0.0018 400 GLU 54 CD 0.0114 0.0125 -0.0045 401 GLU 54 OE1 0.0133 0.0154 -0.0062 402 GLU 54 OE2 0.0119 0.0084 -0.0050 403 LEU 55 N 0.0049 0.0078 -0.0024 404 LEU 55 CA 0.0055 0.0056 -0.0023 405 LEU 55 C 0.0043 0.0065 -0.0010 406 LEU 55 O 0.0026 0.0075 0.0009 407 LEU 55 CB 0.0053 0.0026 -0.0011 408 LEU 55 CG 0.0063 -0.0000 -0.0015 409 LEU 55 CD1 0.0085 -0.0007 -0.0041 410 LEU 55 CD2 0.0059 -0.0028 0.0002 411 ARG 56 N 0.0076 0.0006 -0.0020 412 ARG 56 CA 0.0084 -0.0008 -0.0010 413 ARG 56 C 0.0084 -0.0022 -0.0008 414 ARG 56 O 0.0074 -0.0025 -0.0016 415 ARG 56 CB 0.0078 -0.0017 -0.0013 416 ARG 56 CG 0.0079 -0.0004 -0.0015 417 ARG 56 CD 0.0074 -0.0013 -0.0018 418 ARG 56 NE 0.0074 -0.0001 -0.0020 419 ARG 56 CZ 0.0079 -0.0002 -0.0016 420 ARG 56 NH1 0.0085 -0.0015 -0.0008 421 ARG 56 NH2 0.0078 0.0010 -0.0019 422 LYS 57 N 0.0064 -0.0059 -0.0048 423 LYS 57 CA 0.0078 -0.0030 -0.0057 424 LYS 57 C 0.0088 -0.0017 -0.0049 425 LYS 57 O 0.0080 -0.0027 -0.0054 426 LYS 57 CB 0.0071 -0.0025 -0.0091 427 LYS 57 CG 0.0086 0.0005 -0.0102 428 LYS 57 CD 0.0079 0.0010 -0.0136 429 LYS 57 CE 0.0094 0.0040 -0.0145 430 LYS 57 NZ 0.0089 0.0047 -0.0178 431 GLY 58 N 0.0119 -0.0074 -0.0023 432 GLY 58 CA 0.0112 -0.0075 -0.0013 433 GLY 58 C 0.0105 -0.0074 -0.0003 434 GLY 58 O 0.0099 -0.0072 0.0006 435 ASP 59 N 0.0096 -0.0063 -0.0007 436 ASP 59 CA 0.0092 -0.0060 -0.0018 437 ASP 59 C 0.0094 -0.0070 -0.0021 438 ASP 59 O 0.0097 -0.0075 -0.0013 439 ASP 59 CB 0.0089 -0.0047 -0.0014 440 ASP 59 CG 0.0086 -0.0035 -0.0015 441 ASP 59 OD1 0.0083 -0.0035 -0.0022 442 ASP 59 OD2 0.0085 -0.0025 -0.0008 443 ARG 60 N 0.0103 -0.0128 0.0020 444 ARG 60 CA 0.0060 -0.0108 0.0007 445 ARG 60 C 0.0051 -0.0061 -0.0015 446 ARG 60 O 0.0046 -0.0059 -0.0017 447 ARG 60 CB 0.0013 -0.0140 0.0019 448 ARG 60 CG -0.0031 -0.0122 0.0006 449 ARG 60 CD -0.0076 -0.0154 0.0018 450 ARG 60 NE -0.0119 -0.0138 0.0007 451 ARG 60 CZ -0.0164 -0.0158 0.0013 452 ARG 60 NH1 -0.0177 -0.0195 0.0030 453 ARG 60 NH2 -0.0197 -0.0141 0.0002 454 ILE 61 N 0.0045 -0.0073 -0.0007 455 ILE 61 CA 0.0037 -0.0048 -0.0018 456 ILE 61 C 0.0001 -0.0044 -0.0012 457 ILE 61 O -0.0015 -0.0039 -0.0010 458 ILE 61 CB 0.0050 -0.0022 -0.0034 459 ILE 61 CG1 0.0085 -0.0027 -0.0039 460 ILE 61 CG2 0.0042 0.0003 -0.0044 461 ILE 61 CD1 0.0101 -0.0001 -0.0055 462 ILE 62 N -0.0017 -0.0039 -0.0005 463 ILE 62 CA -0.0054 -0.0032 0.0006 464 ILE 62 C -0.0065 0.0007 -0.0002 465 ILE 62 O -0.0089 0.0023 0.0002 466 ILE 62 CB -0.0068 -0.0057 0.0019 467 ILE 62 CG1 -0.0057 -0.0096 0.0027 468 ILE 62 CG2 -0.0107 -0.0050 0.0031 469 ILE 62 CD1 -0.0068 -0.0110 0.0035 470 SER 63 N -0.0036 -0.0008 0.0005 471 SER 63 CA -0.0042 0.0027 -0.0010 472 SER 63 C -0.0010 0.0029 -0.0045 473 SER 63 O 0.0016 -0.0003 -0.0052 474 SER 63 CB -0.0066 0.0026 0.0015 475 SER 63 OG -0.0050 -0.0009 0.0020 476 VAL 64 N -0.0000 0.0025 -0.0054 477 VAL 64 CA 0.0010 0.0027 -0.0066 478 VAL 64 C 0.0004 0.0036 -0.0065 479 VAL 64 O -0.0005 0.0049 -0.0063 480 VAL 64 CB 0.0016 0.0038 -0.0079 481 VAL 64 CG1 0.0026 0.0042 -0.0093 482 VAL 64 CG2 0.0023 0.0029 -0.0082 483 ASN 65 N 0.0053 -0.0043 -0.0068 484 ASN 65 CA 0.0050 -0.0048 -0.0050 485 ASN 65 C 0.0045 -0.0040 -0.0023 486 ASN 65 O 0.0043 -0.0051 -0.0012 487 ASN 65 CB 0.0052 -0.0037 -0.0060 488 ASN 65 CG 0.0056 -0.0049 -0.0084 489 ASN 65 OD1 0.0057 -0.0071 -0.0090 490 ASN 65 ND2 0.0058 -0.0036 -0.0099 491 SER 66 N -0.0022 0.0035 -0.0030 492 SER 66 CA -0.0119 0.0073 0.0091 493 SER 66 C -0.0177 0.0165 0.0110 494 SER 66 O -0.0262 0.0218 0.0199 495 SER 66 CB -0.0162 0.0140 0.0105 496 SER 66 OG -0.0106 0.0059 0.0082 497 VAL 67 N -0.0152 0.0178 0.0068 498 VAL 67 CA -0.0148 0.0227 0.0059 499 VAL 67 C -0.0147 0.0203 0.0056 500 VAL 67 O -0.0134 0.0167 0.0019 501 VAL 67 CB -0.0126 0.0262 0.0006 502 VAL 67 CG1 -0.0122 0.0316 0.0000 503 VAL 67 CG2 -0.0126 0.0285 0.0007 504 ASP 68 N -0.0238 0.0215 0.0072 505 ASP 68 CA -0.0240 0.0172 0.0074 506 ASP 68 C -0.0205 0.0184 0.0048 507 ASP 68 O -0.0204 0.0230 0.0046 508 ASP 68 CB -0.0289 0.0170 0.0110 509 ASP 68 CG -0.0298 0.0121 0.0118 510 ASP 68 OD1 -0.0266 0.0094 0.0095 511 ASP 68 OD2 -0.0338 0.0108 0.0148 512 LEU 69 N -0.0182 0.0142 0.0034 513 LEU 69 CA -0.0152 0.0141 0.0018 514 LEU 69 C -0.0162 0.0101 0.0033 515 LEU 69 O -0.0136 0.0092 0.0020 516 LEU 69 CB -0.0102 0.0134 -0.0009 517 LEU 69 CG -0.0088 0.0176 -0.0027 518 LEU 69 CD1 -0.0036 0.0167 -0.0053 519 LEU 69 CD2 -0.0099 0.0229 -0.0034 520 ARG 70 N -0.0225 0.0071 0.0015 521 ARG 70 CA -0.0244 0.0009 0.0058 522 ARG 70 C -0.0277 0.0019 0.0064 523 ARG 70 O -0.0265 -0.0028 0.0086 524 ARG 70 CB -0.0298 -0.0018 0.0093 525 ARG 70 CG -0.0259 -0.0049 0.0096 526 ARG 70 CD -0.0312 -0.0076 0.0130 527 ARG 70 NE -0.0364 -0.0021 0.0118 528 ARG 70 CZ -0.0417 -0.0029 0.0141 529 ARG 70 NH1 -0.0430 -0.0089 0.0180 530 ARG 70 NH2 -0.0460 0.0023 0.0127 531 ALA 71 N -0.0356 0.0083 0.0083 532 ALA 71 CA -0.0417 0.0078 0.0088 533 ALA 71 C -0.0389 0.0156 0.0033 534 ALA 71 O -0.0454 0.0178 0.0018 535 ALA 71 CB -0.0540 0.0075 0.0092 536 ALA 72 N -0.0311 0.0187 0.0039 537 ALA 72 CA -0.0273 0.0257 0.0006 538 ALA 72 C -0.0218 0.0246 -0.0011 539 ALA 72 O -0.0183 0.0182 -0.0007 540 ALA 72 CB -0.0230 0.0277 -0.0015 541 SER 73 N -0.0220 0.0320 0.0003 542 SER 73 CA -0.0134 0.0320 -0.0026 543 SER 73 C -0.0042 0.0322 -0.0057 544 SER 73 O -0.0044 0.0346 -0.0060 545 SER 73 CB -0.0141 0.0408 -0.0036 546 SER 73 OG -0.0104 0.0499 -0.0061 547 HIS 74 N 0.0027 0.0281 -0.0057 548 HIS 74 CA 0.0108 0.0292 -0.0075 549 HIS 74 C 0.0120 0.0378 -0.0099 550 HIS 74 O 0.0151 0.0395 -0.0109 551 HIS 74 CB 0.0168 0.0263 -0.0080 552 HIS 74 CG 0.0253 0.0260 -0.0095 553 HIS 74 ND1 0.0290 0.0196 -0.0086 554 HIS 74 CD2 0.0305 0.0320 -0.0120 555 HIS 74 CE1 0.0363 0.0217 -0.0105 556 HIS 74 NE2 0.0375 0.0292 -0.0126 557 GLU 75 N 0.0107 0.0495 -0.0127 558 GLU 75 CA 0.0117 0.0607 -0.0152 559 GLU 75 C 0.0049 0.0624 -0.0119 560 GLU 75 O 0.0082 0.0669 -0.0144 561 GLU 75 CB 0.0087 0.0708 -0.0154 562 GLU 75 CG 0.0151 0.0707 -0.0187 563 GLU 75 CD 0.0125 0.0612 -0.0157 564 GLU 75 OE1 0.0194 0.0583 -0.0188 565 GLU 75 OE2 0.0040 0.0569 -0.0105 566 GLN 76 N -0.0008 0.0559 -0.0087 567 GLN 76 CA -0.0072 0.0561 -0.0051 568 GLN 76 C -0.0045 0.0495 -0.0062 569 GLN 76 O -0.0051 0.0524 -0.0061 570 GLN 76 CB -0.0158 0.0531 -0.0001 571 GLN 76 CG -0.0200 0.0608 0.0017 572 GLN 76 CD -0.0281 0.0572 0.0065 573 GLN 76 OE1 -0.0291 0.0487 0.0077 574 GLN 76 NE2 -0.0343 0.0636 0.0096 575 ALA 77 N 0.0002 0.0382 -0.0046 576 ALA 77 CA 0.0025 0.0311 -0.0062 577 ALA 77 C 0.0079 0.0328 -0.0116 578 ALA 77 O 0.0083 0.0308 -0.0118 579 ALA 77 CB 0.0038 0.0243 -0.0068 580 ALA 78 N 0.0140 0.0395 -0.0157 581 ALA 78 CA 0.0206 0.0426 -0.0232 582 ALA 78 C 0.0189 0.0492 -0.0248 583 ALA 78 O 0.0236 0.0482 -0.0286 584 ALA 78 CB 0.0228 0.0470 -0.0274 585 ALA 79 N 0.0146 0.0652 -0.0195 586 ALA 79 CA 0.0100 0.0754 -0.0131 587 ALA 79 C 0.0038 0.0591 -0.0022 588 ALA 79 O 0.0061 0.0583 -0.0056 589 ALA 79 CB 0.0016 0.0953 -0.0017 590 ALA 80 N 0.0026 0.0389 -0.0037 591 ALA 80 CA -0.0020 0.0285 0.0027 592 ALA 80 C -0.0012 0.0185 -0.0050 593 ALA 80 O -0.0033 0.0138 -0.0021 594 ALA 80 CB -0.0050 0.0243 0.0084 595 LEU 81 N 0.0091 0.0084 -0.0087 596 LEU 81 CA 0.0101 0.0018 -0.0149 597 LEU 81 C 0.0097 0.0008 -0.0221 598 LEU 81 O 0.0111 -0.0062 -0.0248 599 LEU 81 CB 0.0093 0.0037 -0.0188 600 LEU 81 CG 0.0101 0.0026 -0.0126 601 LEU 81 CD1 0.0088 0.0066 -0.0163 602 LEU 81 CD2 0.0125 -0.0067 -0.0112 603 LYS 82 N 0.0135 0.0046 -0.0296 604 LYS 82 CA 0.0246 0.0245 -0.0415 605 LYS 82 C 0.0108 0.0288 -0.0162 606 LYS 82 O 0.0149 0.0230 -0.0253 607 LYS 82 CB 0.0381 0.0620 -0.0509 608 LYS 82 CG 0.0513 0.0837 -0.0656 609 LYS 82 CD 0.0648 0.1203 -0.0755 610 LYS 82 CE 0.0775 0.1424 -0.0893 611 LYS 82 NZ 0.0907 0.1783 -0.0988 612 ASN 83 N 0.0131 0.0400 -0.0202 613 ASN 83 CA 0.0061 0.0416 -0.0027 614 ASN 83 C 0.0033 0.0103 0.0111 615 ASN 83 O -0.0008 0.0073 0.0223 616 ASN 83 CB -0.0049 0.0661 0.0204 617 ASN 83 CG -0.0025 0.0987 0.0076 618 ASN 83 OD1 0.0060 0.1069 -0.0160 619 ASN 83 ND2 -0.0103 0.1188 0.0232 620 ALA 84 N 0.0019 -0.0025 -0.0045 621 ALA 84 CA 0.0004 -0.0139 -0.0017 622 ALA 84 C -0.0019 -0.0225 -0.0074 623 ALA 84 O -0.0030 -0.0212 -0.0174 624 ALA 84 CB -0.0003 -0.0155 -0.0051 625 GLY 85 N 0.0043 -0.0252 -0.0086 626 GLY 85 CA 0.0034 -0.0330 -0.0132 627 GLY 85 C 0.0013 -0.0359 -0.0177 628 GLY 85 O -0.0009 -0.0311 -0.0190 629 GLN 86 N 0.0032 -0.0405 -0.0243 630 GLN 86 CA 0.0014 -0.0374 -0.0222 631 GLN 86 C 0.0051 -0.0314 -0.0201 632 GLN 86 O 0.0025 -0.0274 -0.0174 633 GLN 86 CB 0.0022 -0.0412 -0.0244 634 GLN 86 CG -0.0028 -0.0466 -0.0258 635 GLN 86 CD -0.0095 -0.0449 -0.0231 636 GLN 86 OE1 -0.0106 -0.0399 -0.0203 637 GLN 86 NE2 -0.0144 -0.0489 -0.0239 638 THR 87 N 0.0060 -0.0280 -0.0225 639 THR 87 CA 0.0089 -0.0248 -0.0202 640 THR 87 C 0.0082 -0.0237 -0.0190 641 THR 87 O 0.0089 -0.0254 -0.0209 642 THR 87 CB 0.0137 -0.0249 -0.0218 643 THR 87 OG1 0.0142 -0.0261 -0.0231 644 THR 87 CG2 0.0168 -0.0215 -0.0194 645 VAL 88 N 0.0068 -0.0204 -0.0168 646 VAL 88 CA 0.0072 -0.0181 -0.0159 647 VAL 88 C 0.0097 -0.0151 -0.0148 648 VAL 88 O 0.0089 -0.0131 -0.0140 649 VAL 88 CB 0.0034 -0.0168 -0.0155 650 VAL 88 CG1 0.0038 -0.0149 -0.0147 651 VAL 88 CG2 0.0007 -0.0199 -0.0167 652 THR 89 N 0.0094 -0.0135 -0.0145 653 THR 89 CA 0.0112 -0.0121 -0.0121 654 THR 89 C 0.0095 -0.0097 -0.0105 655 THR 89 O 0.0084 -0.0094 -0.0106 656 THR 89 CB 0.0140 -0.0129 -0.0116 657 THR 89 OG1 0.0157 -0.0151 -0.0131 658 THR 89 CG2 0.0159 -0.0115 -0.0091 659 ILE 90 N 0.0093 -0.0066 -0.0090 660 ILE 90 CA 0.0084 -0.0061 -0.0080 661 ILE 90 C 0.0091 -0.0060 -0.0068 662 ILE 90 O 0.0101 -0.0063 -0.0065 663 ILE 90 CB 0.0079 -0.0059 -0.0080 664 ILE 90 CG1 0.0073 -0.0060 -0.0093 665 ILE 90 CG2 0.0071 -0.0054 -0.0070 666 ILE 90 CD1 0.0068 -0.0059 -0.0094 667 ILE 91 N 0.0069 -0.0034 -0.0055 668 ILE 91 CA 0.0072 -0.0035 -0.0038 669 ILE 91 C 0.0062 -0.0034 -0.0024 670 ILE 91 O 0.0046 -0.0033 -0.0025 671 ILE 91 CB 0.0067 -0.0034 -0.0037 672 ILE 91 CG1 0.0075 -0.0035 -0.0052 673 ILE 91 CG2 0.0072 -0.0035 -0.0019 674 ILE 91 CD1 0.0095 -0.0036 -0.0053 675 ALA 92 N 0.0073 -0.0031 -0.0024 676 ALA 92 CA 0.0070 -0.0032 -0.0016 677 ALA 92 C 0.0072 -0.0035 -0.0005 678 ALA 92 O 0.0079 -0.0037 -0.0003 679 ALA 92 CB 0.0075 -0.0032 -0.0019 680 GLN 93 N 0.0063 -0.0043 -0.0009 681 GLN 93 CA 0.0062 -0.0050 -0.0001 682 GLN 93 C 0.0066 -0.0056 0.0008 683 GLN 93 O 0.0061 -0.0058 0.0008 684 GLN 93 CB 0.0050 -0.0054 -0.0002 685 GLN 93 CG 0.0048 -0.0061 0.0006 686 GLN 93 CD 0.0036 -0.0064 0.0005 687 GLN 93 OE1 0.0028 -0.0064 0.0001 688 GLN 93 NE2 0.0035 -0.0067 0.0008 689 TYR 94 N 0.0081 -0.0038 -0.0008 690 TYR 94 CA 0.0084 -0.0042 -0.0006 691 TYR 94 C 0.0083 -0.0048 -0.0009 692 TYR 94 O 0.0079 -0.0049 -0.0012 693 TYR 94 CB 0.0085 -0.0041 -0.0005 694 TYR 94 CG 0.0090 -0.0044 -0.0001 695 TYR 94 CD1 0.0090 -0.0048 -0.0003 696 TYR 94 CD2 0.0094 -0.0042 0.0003 697 TYR 94 CE1 0.0094 -0.0051 0.0000 698 TYR 94 CE2 0.0098 -0.0045 0.0006 699 TYR 94 CZ 0.0098 -0.0050 0.0004 700 TYR 94 OH 0.0102 -0.0053 0.0007 701 LYS 95 N 0.0086 -0.0044 -0.0008 702 LYS 95 CA 0.0071 -0.0106 -0.0023 703 LYS 95 C 0.0079 -0.0077 0.0014 704 LYS 95 O 0.0089 -0.0044 0.0085 705 LYS 95 CB 0.0050 -0.0191 0.0011 706 LYS 95 CG 0.0032 -0.0259 -0.0016 707 LYS 95 CD 0.0012 -0.0344 0.0016 708 LYS 95 CE -0.0006 -0.0412 -0.0013 709 LYS 95 NZ -0.0026 -0.0494 0.0018 710 LYS 95 OXT 0.0074 -0.0093 -0.0030