1 ASP 28 N -0.0898 -0.0429 -0.0351 2 ASP 28 CA -0.0293 -0.0214 -0.0190 3 ASP 28 C -0.0042 -0.0348 -0.0039 4 ASP 28 O -0.0149 -0.0838 0.0102 5 ASP 28 CB 0.0012 -0.0483 0.0034 6 ASP 28 CG 0.0640 -0.0277 0.0208 7 ASP 28 OD1 0.0801 0.0236 0.0080 8 ASP 28 OD2 0.0980 -0.0628 0.0475 9 ASP 28 H -0.1082 -0.0350 -0.0454 10 ASP 28 HA -0.0251 0.0246 -0.0345 11 ASP 28 HB2 -0.0171 -0.0381 -0.0078 12 ASP 28 HB3 -0.0044 -0.0943 0.0184 13 PRO 29 N -0.0057 -0.0559 0.0443 14 PRO 29 CA 0.0141 -0.0540 0.0460 15 PRO 29 C 0.0457 -0.0862 0.0616 16 PRO 29 O 0.0720 -0.0923 0.0670 17 PRO 29 CB 0.0369 -0.0131 0.0337 18 PRO 29 CG 0.0180 0.0101 0.0229 19 PRO 29 CD 0.0033 -0.0194 0.0320 20 PRO 29 HA -0.0090 -0.0561 0.0439 21 PRO 29 HB2 0.0701 -0.0172 0.0392 22 PRO 29 HB3 0.0324 0.0005 0.0282 23 PRO 29 HG2 0.0414 0.0308 0.0182 24 PRO 29 HG3 -0.0083 0.0260 0.0139 25 PRO 29 HD2 0.0276 -0.0236 0.0365 26 PRO 29 HD3 -0.0249 -0.0092 0.0248 27 ASN 30 N -0.0541 0.0665 -0.1576 28 ASN 30 CA -0.0425 0.0382 -0.0701 29 ASN 30 C -0.0103 0.0499 -0.0292 30 ASN 30 O 0.0489 0.0911 0.0021 31 ASN 30 CB -0.0046 0.0575 -0.0344 32 ASN 30 CG 0.0117 0.0316 0.0578 33 ASN 30 OD1 -0.0261 -0.0179 0.0898 34 ASN 30 ND2 0.0678 0.0647 0.1007 35 ASN 30 H -0.0975 0.0410 -0.1910 36 ASN 30 HA -0.0897 -0.0105 -0.0595 37 ASN 30 HB2 -0.0337 0.0425 -0.0615 38 ASN 30 HB3 0.0383 0.1068 -0.0551 39 ASN 30 HD21 0.0969 0.1047 0.0717 40 ASN 30 HD22 0.0789 0.0486 0.1600 41 ALA 31 N -0.0171 0.0064 -0.0087 42 ALA 31 CA -0.0122 -0.0016 0.0047 43 ALA 31 C -0.0217 0.0033 0.0189 44 ALA 31 O -0.0246 0.0040 0.0266 45 ALA 31 CB -0.0024 -0.0112 0.0075 46 ALA 31 H -0.0252 0.0132 -0.0072 47 ALA 31 HA -0.0084 -0.0045 0.0026 48 ALA 31 HB1 0.0014 -0.0171 0.0173 49 ALA 31 HB2 -0.0060 -0.0085 0.0098 50 ALA 31 HB3 0.0044 -0.0147 -0.0025 51 GLU 32 N -0.0262 0.0131 0.0115 52 GLU 32 CA -0.0305 0.0214 0.0245 53 GLU 32 C -0.0185 0.0262 0.0392 54 GLU 32 O -0.0169 0.0322 0.0510 55 GLU 32 CB -0.0491 0.0278 0.0269 56 GLU 32 CG -0.0535 0.0311 0.0307 57 GLU 32 CD -0.0720 0.0377 0.0335 58 GLU 32 OE1 -0.0757 0.0462 0.0471 59 GLU 32 OE2 -0.0831 0.0345 0.0223 60 GLU 32 H -0.0333 0.0136 0.0087 61 GLU 32 HA -0.0288 0.0192 0.0213 62 GLU 32 HB2 -0.0519 0.0338 0.0365 63 GLU 32 HB3 -0.0570 0.0241 0.0162 64 GLU 32 HG2 -0.0513 0.0251 0.0209 65 GLU 32 HG3 -0.0452 0.0345 0.0411 66 PHE 33 N -0.0194 -0.0116 0.0193 67 PHE 33 CA -0.0153 -0.0139 0.0238 68 PHE 33 C -0.0125 -0.0097 0.0200 69 PHE 33 O -0.0128 -0.0048 0.0140 70 PHE 33 CB -0.0081 -0.0151 0.0285 71 PHE 33 CG -0.0025 -0.0102 0.0250 72 PHE 33 CD1 0.0034 -0.0062 0.0227 73 PHE 33 CD2 -0.0033 -0.0096 0.0240 74 PHE 33 CE1 0.0084 -0.0017 0.0195 75 PHE 33 CE2 0.0017 -0.0051 0.0207 76 PHE 33 CZ 0.0075 -0.0011 0.0185 77 PHE 33 H -0.0163 -0.0087 0.0172 78 PHE 33 HA -0.0194 -0.0177 0.0266 79 PHE 33 HB2 -0.0046 -0.0163 0.0314 80 PHE 33 HB3 -0.0102 -0.0185 0.0317 81 PHE 33 HD1 0.0042 -0.0066 0.0235 82 PHE 33 HD2 -0.0079 -0.0128 0.0257 83 PHE 33 HE1 0.0130 0.0014 0.0178 84 PHE 33 HE2 0.0010 -0.0047 0.0199 85 PHE 33 HZ 0.0114 0.0024 0.0159 86 ASP 34 N 0.0007 0.0025 0.0037 87 ASP 34 CA 0.0067 0.0036 0.0011 88 ASP 34 C 0.0082 0.0060 0.0035 89 ASP 34 O 0.0065 0.0087 0.0084 90 ASP 34 CB 0.0110 0.0063 0.0020 91 ASP 34 CG 0.0172 0.0072 -0.0012 92 ASP 34 OD1 0.0202 0.0097 0.0004 93 ASP 34 OD2 0.0193 0.0052 -0.0054 94 ASP 34 H -0.0002 0.0047 0.0074 95 ASP 34 HA 0.0071 0.0008 -0.0031 96 ASP 34 HB2 0.0095 0.0048 0.0008 97 ASP 34 HB3 0.0108 0.0093 0.0062 98 PRO 35 N 0.0259 0.0023 0.0051 99 PRO 35 CA 0.0257 0.0023 0.0052 100 PRO 35 C 0.0288 0.0038 0.0064 101 PRO 35 O 0.0289 0.0039 0.0065 102 PRO 35 CB 0.0257 -0.0007 0.0027 103 PRO 35 CG 0.0281 -0.0020 0.0017 104 PRO 35 CD 0.0275 -0.0004 0.0030 105 PRO 35 HA 0.0232 0.0033 0.0059 106 PRO 35 HB2 0.0267 -0.0010 0.0025 107 PRO 35 HB3 0.0231 -0.0015 0.0020 108 PRO 35 HG2 0.0309 -0.0019 0.0019 109 PRO 35 HG3 0.0274 -0.0042 -0.0000 110 PRO 35 HD2 0.0300 -0.0000 0.0034 111 PRO 35 HD3 0.0256 -0.0014 0.0021 112 ASP 36 N 0.0214 -0.0115 -0.0192 113 ASP 36 CA 0.0270 -0.0160 -0.0137 114 ASP 36 C 0.0260 -0.0002 -0.0126 115 ASP 36 O 0.0249 -0.0016 -0.0140 116 ASP 36 CB 0.0401 -0.0230 -0.0003 117 ASP 36 CG 0.0465 -0.0272 0.0062 118 ASP 36 OD1 0.0444 -0.0405 0.0020 119 ASP 36 OD2 0.0540 -0.0171 0.0156 120 ASP 36 H 0.0258 -0.0049 -0.0135 121 ASP 36 HA 0.0222 -0.0261 -0.0202 122 ASP 36 HB2 0.0404 -0.0348 -0.0015 123 ASP 36 HB3 0.0447 -0.0133 0.0060 124 LEU 37 N 0.0172 0.0099 -0.0110 125 LEU 37 CA 0.0164 0.0118 -0.0084 126 LEU 37 C 0.0129 0.0119 -0.0045 127 LEU 37 O 0.0100 0.0090 -0.0042 128 LEU 37 CB 0.0164 0.0098 -0.0102 129 LEU 37 CG 0.0201 0.0105 -0.0136 130 LEU 37 CD1 0.0228 0.0149 -0.0123 131 LEU 37 CD2 0.0219 0.0086 -0.0172 132 LEU 37 H 0.0161 0.0069 -0.0126 133 LEU 37 HA 0.0188 0.0148 -0.0081 134 LEU 37 HB2 0.0146 0.0066 -0.0112 135 LEU 37 HB3 0.0150 0.0108 -0.0079 136 LEU 37 HG 0.0196 0.0091 -0.0143 137 LEU 37 HD11 0.0254 0.0153 -0.0147 138 LEU 37 HD12 0.0234 0.0165 -0.0115 139 LEU 37 HD13 0.0216 0.0161 -0.0099 140 LEU 37 HD21 0.0246 0.0092 -0.0194 141 LEU 37 HD22 0.0201 0.0055 -0.0182 142 LEU 37 HD23 0.0224 0.0100 -0.0165 143 PRO 38 N 0.0154 0.0018 -0.0170 144 PRO 38 CA 0.0138 0.0021 -0.0152 145 PRO 38 C 0.0076 0.0030 -0.0143 146 PRO 38 O 0.0052 0.0034 -0.0117 147 PRO 38 CB 0.0168 0.0020 -0.0096 148 PRO 38 CG 0.0214 0.0014 -0.0099 149 PRO 38 CD 0.0194 0.0015 -0.0132 150 PRO 38 HA 0.0150 0.0018 -0.0180 151 PRO 38 HB2 0.0140 0.0025 -0.0063 152 PRO 38 HB3 0.0182 0.0018 -0.0092 153 PRO 38 HG2 0.0224 0.0014 -0.0057 154 PRO 38 HG3 0.0249 0.0008 -0.0118 155 PRO 38 HD2 0.0174 0.0018 -0.0107 156 PRO 38 HD3 0.0227 0.0009 -0.0155 157 GLY 39 N -0.0005 0.0001 -0.0077 158 GLY 39 CA -0.0031 0.0005 -0.0075 159 GLY 39 C -0.0059 0.0024 -0.0092 160 GLY 39 O -0.0088 0.0026 -0.0086 161 GLY 39 H 0.0016 0.0005 -0.0090 162 GLY 39 HA2 -0.0020 0.0008 -0.0082 163 GLY 39 HA3 -0.0042 -0.0009 -0.0053 164 GLY 40 N -0.0013 0.0061 0.0026 165 GLY 40 CA -0.0023 0.0068 0.0017 166 GLY 40 C -0.0031 0.0069 0.0031 167 GLY 40 O -0.0041 0.0074 0.0026 168 GLY 40 H -0.0001 0.0056 0.0023 169 GLY 40 HA2 -0.0015 0.0067 0.0007 170 GLY 40 HA3 -0.0033 0.0074 0.0011 171 GLY 41 N -0.0023 0.0099 -0.0054 172 GLY 41 CA -0.0038 0.0093 -0.0049 173 GLY 41 C -0.0076 0.0079 -0.0037 174 GLY 41 O -0.0094 0.0073 -0.0036 175 GLY 41 H -0.0005 0.0100 -0.0037 176 GLY 41 HA2 -0.0022 0.0093 -0.0029 177 GLY 41 HA3 -0.0039 0.0099 -0.0074 178 LEU 42 N -0.0231 0.0074 0.0034 179 LEU 42 CA -0.0200 0.0063 0.0028 180 LEU 42 C -0.0187 0.0027 -0.0002 181 LEU 42 O -0.0165 0.0013 -0.0012 182 LEU 42 CB -0.0160 0.0082 0.0048 183 LEU 42 CG -0.0167 0.0119 0.0079 184 LEU 42 CD1 -0.0125 0.0134 0.0096 185 LEU 42 CD2 -0.0184 0.0129 0.0086 186 LEU 42 H -0.0220 0.0080 0.0040 187 LEU 42 HA -0.0211 0.0068 0.0031 188 LEU 42 HB2 -0.0148 0.0076 0.0043 189 LEU 42 HB3 -0.0137 0.0073 0.0042 190 LEU 42 HG -0.0189 0.0127 0.0084 191 LEU 42 HD11 -0.0130 0.0160 0.0117 192 LEU 42 HD12 -0.0102 0.0125 0.0090 193 LEU 42 HD13 -0.0114 0.0128 0.0091 194 LEU 42 HD21 -0.0163 0.0120 0.0080 195 LEU 42 HD22 -0.0188 0.0155 0.0108 196 LEU 42 HD23 -0.0215 0.0119 0.0075 197 HIS 43 N -0.0083 -0.0079 -0.0094 198 HIS 43 CA -0.0082 -0.0089 -0.0076 199 HIS 43 C -0.0079 -0.0077 -0.0085 200 HIS 43 O -0.0068 -0.0056 -0.0081 201 HIS 43 CB -0.0071 -0.0084 -0.0048 202 HIS 43 CG -0.0072 -0.0093 -0.0038 203 HIS 43 ND1 -0.0080 -0.0117 -0.0027 204 HIS 43 CD2 -0.0066 -0.0081 -0.0036 205 HIS 43 CE1 -0.0079 -0.0119 -0.0019 206 HIS 43 NE2 -0.0071 -0.0097 -0.0024 207 HIS 43 H -0.0075 -0.0062 -0.0098 208 HIS 43 HA -0.0092 -0.0108 -0.0077 209 HIS 43 HB2 -0.0062 -0.0065 -0.0047 210 HIS 43 HB3 -0.0072 -0.0094 -0.0036 211 HIS 43 HD1 -0.0087 -0.0130 -0.0026 212 HIS 43 HD2 -0.0059 -0.0062 -0.0043 213 HIS 43 HE1 -0.0084 -0.0135 -0.0009 214 HIS 43 HE2 -0.0069 -0.0095 -0.0024 215 ARG 44 N -0.0102 -0.0009 -0.0007 216 ARG 44 CA -0.0106 -0.0022 0.0005 217 ARG 44 C -0.0125 -0.0056 0.0036 218 ARG 44 O -0.0150 -0.0066 0.0041 219 ARG 44 CB -0.0140 -0.0007 -0.0014 220 ARG 44 CG -0.0136 0.0029 -0.0048 221 ARG 44 CD -0.0175 0.0041 -0.0065 222 ARG 44 NE -0.0175 0.0075 -0.0098 223 ARG 44 CZ -0.0203 0.0091 -0.0117 224 ARG 44 NH1 -0.0233 0.0076 -0.0107 225 ARG 44 NH2 -0.0201 0.0123 -0.0147 226 ARG 44 H -0.0127 -0.0010 -0.0009 227 ARG 44 HA -0.0076 -0.0020 0.0007 228 ARG 44 HB2 -0.0172 -0.0016 -0.0009 229 ARG 44 HB3 -0.0137 -0.0014 -0.0007 230 ARG 44 HG2 -0.0106 0.0038 -0.0053 231 ARG 44 HG3 -0.0136 0.0036 -0.0055 232 ARG 44 HD2 -0.0205 0.0030 -0.0058 233 ARG 44 HD3 -0.0173 0.0034 -0.0058 234 ARG 44 HE -0.0153 0.0087 -0.0106 235 ARG 44 HH11 -0.0236 0.0053 -0.0084 236 ARG 44 HH12 -0.0255 0.0088 -0.0121 237 ARG 44 HH21 -0.0179 0.0135 -0.0157 238 ARG 44 HH22 -0.0221 0.0135 -0.0162 239 CYS 45 N -0.0040 0.0026 0.0051 240 CYS 45 CA -0.0041 0.0035 0.0068 241 CYS 45 C -0.0039 0.0030 0.0097 242 CYS 45 O -0.0033 0.0007 0.0104 243 CYS 45 CB -0.0038 0.0020 0.0063 244 CYS 45 SG -0.0039 0.0027 0.0088 245 CYS 45 H -0.0036 0.0007 0.0046 246 CYS 45 HA -0.0046 0.0056 0.0065 247 CYS 45 HB2 -0.0040 0.0027 0.0043 248 CYS 45 HB3 -0.0034 -0.0001 0.0061 249 LEU 46 N -0.0174 0.0061 0.0232 250 LEU 46 CA -0.0128 0.0057 0.0136 251 LEU 46 C -0.0033 0.0124 0.0195 252 LEU 46 O 0.0064 0.0154 0.0122 253 LEU 46 CB -0.0238 -0.0014 0.0096 254 LEU 46 CG -0.0334 -0.0085 0.0026 255 LEU 46 CD1 -0.0446 -0.0151 0.0001 256 LEU 46 CD2 -0.0272 -0.0092 -0.0108 257 LEU 46 H -0.0264 0.0025 0.0272 258 LEU 46 HA -0.0079 0.0055 0.0045 259 LEU 46 HB2 -0.0288 -0.0012 0.0187 260 LEU 46 HB3 -0.0202 -0.0015 0.0027 261 LEU 46 HG -0.0367 -0.0082 0.0095 262 LEU 46 HD11 -0.0494 -0.0148 0.0099 263 LEU 46 HD12 -0.0511 -0.0201 -0.0051 264 LEU 46 HD13 -0.0411 -0.0151 -0.0061 265 LEU 46 HD21 -0.0199 -0.0047 -0.0088 266 LEU 46 HD22 -0.0232 -0.0091 -0.0176 267 LEU 46 HD23 -0.0344 -0.0144 -0.0156 268 ALA 47 N -0.0060 0.0184 0.0204 269 ALA 47 CA -0.0073 0.0164 0.0198 270 ALA 47 C -0.0094 0.0139 0.0194 271 ALA 47 O -0.0109 0.0121 0.0196 272 ALA 47 CB -0.0063 0.0167 0.0169 273 ALA 47 H -0.0046 0.0194 0.0190 274 ALA 47 HA -0.0077 0.0167 0.0216 275 ALA 47 HB1 -0.0073 0.0153 0.0165 276 ALA 47 HB2 -0.0059 0.0164 0.0150 277 ALA 47 HB3 -0.0048 0.0185 0.0172 278 CYS 48 N 0.0031 0.0095 0.0112 279 CYS 48 CA 0.0039 0.0052 0.0101 280 CYS 48 C 0.0044 0.0027 0.0100 281 CYS 48 O 0.0053 -0.0010 0.0098 282 CYS 48 CB 0.0030 0.0046 0.0062 283 CYS 48 SG 0.0027 0.0066 0.0068 284 CYS 48 H 0.0023 0.0111 0.0095 285 CYS 48 HA 0.0047 0.0042 0.0126 286 CYS 48 HB2 0.0020 0.0060 0.0035 287 CYS 48 HB3 0.0036 0.0014 0.0056 288 ALA 49 N 0.0034 0.0015 0.0138 289 ALA 49 CA 0.0047 -0.0024 0.0116 290 ALA 49 C 0.0043 -0.0063 0.0062 291 ALA 49 O 0.0063 -0.0107 0.0045 292 ALA 49 CB 0.0089 -0.0053 0.0159 293 ALA 49 H 0.0013 0.0052 0.0144 294 ALA 49 HA 0.0028 -0.0002 0.0107 295 ALA 49 HB1 0.0109 -0.0075 0.0168 296 ALA 49 HB2 0.0091 -0.0024 0.0196 297 ALA 49 HB3 0.0098 -0.0079 0.0143 298 ARG 50 N 0.0111 -0.0065 0.0082 299 ARG 50 CA 0.0017 -0.0098 0.0082 300 ARG 50 C -0.0009 -0.0133 0.0096 301 ARG 50 O 0.0023 -0.0100 0.0084 302 ARG 50 CB -0.0048 -0.0033 0.0034 303 ARG 50 CG -0.0033 0.0002 0.0018 304 ARG 50 CD -0.0100 0.0066 -0.0029 305 ARG 50 NE -0.0085 0.0102 -0.0046 306 ARG 50 CZ -0.0129 0.0165 -0.0088 307 ARG 50 NH1 -0.0194 0.0195 -0.0117 308 ARG 50 NH2 -0.0110 0.0194 -0.0100 309 ARG 50 H 0.0130 -0.0015 0.0059 310 ARG 50 HA 0.0009 -0.0147 0.0107 311 ARG 50 HB2 -0.0039 0.0017 0.0009 312 ARG 50 HB3 -0.0118 -0.0060 0.0036 313 ARG 50 HG2 -0.0044 -0.0047 0.0043 314 ARG 50 HG3 0.0036 0.0030 0.0016 315 ARG 50 HD2 -0.0090 0.0115 -0.0053 316 ARG 50 HD3 -0.0169 0.0037 -0.0027 317 ARG 50 HE -0.0039 0.0077 -0.0023 318 ARG 50 HH11 -0.0211 0.0174 -0.0109 319 ARG 50 HH12 -0.0229 0.0241 -0.0148 320 ARG 50 HH21 -0.0063 0.0172 -0.0079 321 ARG 50 HH22 -0.0142 0.0242 -0.0132 322 TYR 51 N 0.0060 -0.0016 0.0021 323 TYR 51 CA 0.0040 -0.0009 -0.0014 324 TYR 51 C 0.0057 -0.0012 -0.0011 325 TYR 51 O 0.0099 -0.0020 -0.0009 326 TYR 51 CB 0.0055 -0.0007 -0.0060 327 TYR 51 CG 0.0043 -0.0004 -0.0065 328 TYR 51 CD1 0.0074 -0.0011 -0.0051 329 TYR 51 CD2 0.0002 0.0005 -0.0083 330 TYR 51 CE1 0.0063 -0.0009 -0.0055 331 TYR 51 CE2 -0.0009 0.0007 -0.0087 332 TYR 51 CZ 0.0022 0.0000 -0.0073 333 TYR 51 OH 0.0012 0.0003 -0.0077 334 TYR 51 H 0.0093 -0.0022 0.0015 335 TYR 51 HA 0.0003 -0.0002 -0.0011 336 TYR 51 HB2 0.0092 -0.0013 -0.0064 337 TYR 51 HB3 0.0039 -0.0001 -0.0088 338 TYR 51 HD1 0.0107 -0.0019 -0.0037 339 TYR 51 HD2 -0.0023 0.0011 -0.0094 340 TYR 51 HE1 0.0088 -0.0015 -0.0044 341 TYR 51 HE2 -0.0041 0.0015 -0.0101 342 TYR 51 HH 0.0040 -0.0001 -0.0088 343 PHE 52 N 0.0014 -0.0041 -0.0054 344 PHE 52 CA 0.0007 -0.0039 -0.0057 345 PHE 52 C -0.0001 -0.0045 -0.0065 346 PHE 52 O -0.0003 -0.0047 -0.0067 347 PHE 52 CB 0.0001 -0.0029 -0.0052 348 PHE 52 CG 0.0008 -0.0022 -0.0044 349 PHE 52 CD1 0.0013 -0.0020 -0.0040 350 PHE 52 CD2 0.0008 -0.0019 -0.0042 351 PHE 52 CE1 0.0020 -0.0014 -0.0032 352 PHE 52 CE2 0.0015 -0.0013 -0.0034 353 PHE 52 CZ 0.0020 -0.0010 -0.0030 354 PHE 52 H 0.0012 -0.0039 -0.0054 355 PHE 52 HA 0.0010 -0.0041 -0.0057 356 PHE 52 HB2 -0.0003 -0.0027 -0.0053 357 PHE 52 HB3 -0.0005 -0.0028 -0.0055 358 PHE 52 HD1 0.0013 -0.0022 -0.0042 359 PHE 52 HD2 0.0004 -0.0021 -0.0045 360 PHE 52 HE1 0.0024 -0.0012 -0.0029 361 PHE 52 HE2 0.0015 -0.0010 -0.0032 362 PHE 52 HZ 0.0025 -0.0005 -0.0024 363 ILE 53 N 0.0037 -0.0037 -0.0103 364 ILE 53 CA 0.0015 -0.0049 -0.0154 365 ILE 53 C -0.0056 -0.0046 -0.0154 366 ILE 53 O -0.0085 -0.0057 -0.0202 367 ILE 53 CB 0.0048 -0.0052 -0.0155 368 ILE 53 CG1 0.0039 -0.0036 -0.0096 369 ILE 53 CG2 0.0118 -0.0059 -0.0169 370 ILE 53 CD1 0.0068 -0.0037 -0.0095 371 ILE 53 H 0.0066 -0.0031 -0.0074 372 ILE 53 HA 0.0027 -0.0061 -0.0194 373 ILE 53 HB 0.0027 -0.0060 -0.0192 374 ILE 53 HG12 0.0058 -0.0027 -0.0059 375 ILE 53 HG13 -0.0011 -0.0031 -0.0089 376 ILE 53 HG21 0.0139 -0.0050 -0.0134 377 ILE 53 HG22 0.0123 -0.0070 -0.0212 378 ILE 53 HG23 0.0140 -0.0060 -0.0170 379 ILE 53 HD11 0.0048 -0.0045 -0.0130 380 ILE 53 HD12 0.0060 -0.0025 -0.0052 381 ILE 53 HD13 0.0118 -0.0041 -0.0102 382 ASP 54 N -0.0081 -0.0132 -0.0069 383 ASP 54 CA -0.0143 -0.0202 -0.0028 384 ASP 54 C -0.0119 -0.0176 -0.0044 385 ASP 54 O -0.0075 -0.0082 -0.0061 386 ASP 54 CB -0.0232 -0.0178 0.0066 387 ASP 54 CG -0.0302 -0.0252 0.0113 388 ASP 54 OD1 -0.0332 -0.0351 0.0115 389 ASP 54 OD2 -0.0327 -0.0213 0.0149 390 ASP 54 H -0.0053 -0.0056 -0.0076 391 ASP 54 HA -0.0143 -0.0292 -0.0054 392 ASP 54 HB2 -0.0246 -0.0192 0.0075 393 ASP 54 HB3 -0.0233 -0.0089 0.0092 394 SER 55 N -0.0087 -0.0217 0.0047 395 SER 55 CA -0.0038 -0.0224 -0.0016 396 SER 55 C -0.0078 -0.0143 -0.0010 397 SER 55 O -0.0045 -0.0099 -0.0080 398 SER 55 CB -0.0004 -0.0339 0.0008 399 SER 55 OG 0.0042 -0.0352 -0.0049 400 SER 55 H -0.0097 -0.0279 0.0098 401 SER 55 HA 0.0006 -0.0206 -0.0087 402 SER 55 HB2 0.0028 -0.0391 -0.0006 403 SER 55 HB3 -0.0047 -0.0365 0.0081 404 SER 55 HG 0.0014 -0.0337 -0.0019 405 THR 56 N -0.0117 -0.0241 0.0018 406 THR 56 CA -0.0190 -0.0126 0.0007 407 THR 56 C -0.0179 -0.0018 -0.0042 408 THR 56 O -0.0167 0.0087 -0.0089 409 THR 56 CB -0.0324 -0.0143 0.0076 410 THR 56 OG1 -0.0332 -0.0254 0.0124 411 THR 56 CG2 -0.0400 -0.0031 0.0066 412 THR 56 H -0.0160 -0.0310 0.0066 413 THR 56 HA -0.0156 -0.0104 -0.0018 414 THR 56 HB -0.0357 -0.0153 0.0095 415 THR 56 HG1 -0.0314 -0.0324 0.0143 416 THR 56 HG21 -0.0494 -0.0045 0.0116 417 THR 56 HG22 -0.0364 -0.0019 0.0045 418 THR 56 HG23 -0.0395 0.0053 0.0031 419 ASN 57 N -0.0112 -0.0060 0.0006 420 ASN 57 CA -0.0089 0.0024 -0.0029 421 ASN 57 C -0.0027 0.0033 -0.0101 422 ASN 57 O -0.0012 0.0107 -0.0126 423 ASN 57 CB -0.0089 0.0032 -0.0029 424 ASN 57 CG -0.0148 0.0067 0.0037 425 ASN 57 OD1 -0.0159 0.0149 0.0044 426 ASN 57 ND2 -0.0185 0.0007 0.0087 427 ASN 57 H -0.0116 -0.0105 0.0014 428 ASN 57 HA -0.0117 0.0079 0.0000 429 ASN 57 HB2 -0.0079 -0.0035 -0.0035 430 ASN 57 HB3 -0.0054 0.0074 -0.0073 431 ASN 57 HD21 -0.0176 -0.0058 0.0081 432 ASN 57 HD22 -0.0224 0.0030 0.0130 433 LEU 58 N -0.0024 -0.0013 -0.0119 434 LEU 58 CA -0.0007 -0.0007 -0.0118 435 LEU 58 C -0.0005 0.0010 -0.0124 436 LEU 58 O 0.0002 0.0020 -0.0126 437 LEU 58 CB 0.0004 -0.0018 -0.0111 438 LEU 58 CG 0.0022 -0.0013 -0.0108 439 LEU 58 CD1 0.0025 -0.0002 -0.0112 440 LEU 58 CD2 0.0028 -0.0006 -0.0109 441 LEU 58 H -0.0026 -0.0021 -0.0117 442 LEU 58 HA -0.0005 -0.0007 -0.0117 443 LEU 58 HB2 0.0002 -0.0029 -0.0106 444 LEU 58 HB3 -0.0001 -0.0020 -0.0111 445 LEU 58 HG 0.0028 -0.0022 -0.0103 446 LEU 58 HD11 0.0038 0.0001 -0.0110 447 LEU 58 HD12 0.0019 0.0008 -0.0118 448 LEU 58 HD13 0.0021 -0.0007 -0.0111 449 LEU 58 HD21 0.0023 0.0004 -0.0115 450 LEU 58 HD22 0.0041 -0.0003 -0.0107 451 LEU 58 HD23 0.0026 -0.0015 -0.0106 452 LYS 59 N 0.0018 0.0050 -0.0134 453 LYS 59 CA 0.0026 0.0075 -0.0152 454 LYS 59 C 0.0011 0.0071 -0.0174 455 LYS 59 O 0.0018 0.0085 -0.0181 456 LYS 59 CB 0.0033 0.0094 -0.0164 457 LYS 59 CG 0.0017 0.0086 -0.0183 458 LYS 59 CD 0.0026 0.0105 -0.0192 459 LYS 59 CE 0.0035 0.0131 -0.0210 460 LYS 59 NZ 0.0021 0.0130 -0.0236 461 LYS 59 H 0.0016 0.0046 -0.0133 462 LYS 59 HA 0.0038 0.0083 -0.0138 463 LYS 59 HB2 0.0040 0.0112 -0.0175 464 LYS 59 HB3 0.0044 0.0097 -0.0147 465 LYS 59 HG2 0.0010 0.0067 -0.0173 466 LYS 59 HG3 0.0007 0.0084 -0.0201 467 LYS 59 HD2 0.0037 0.0108 -0.0174 468 LYS 59 HD3 0.0015 0.0097 -0.0204 469 LYS 59 HE2 0.0047 0.0139 -0.0198 470 LYS 59 HE3 0.0042 0.0144 -0.0214 471 LYS 59 HZ1 0.0011 0.0124 -0.0248 472 LYS 59 HZ2 0.0028 0.0148 -0.0247 473 LYS 59 HZ3 0.0014 0.0118 -0.0234 474 THR 60 N -0.0016 0.0066 -0.0139 475 THR 60 CA 0.0002 0.0083 -0.0110 476 THR 60 C 0.0033 0.0094 -0.0104 477 THR 60 O 0.0043 0.0108 -0.0075 478 THR 60 CB 0.0015 0.0084 -0.0115 479 THR 60 OG1 -0.0015 0.0074 -0.0119 480 THR 60 CG2 0.0034 0.0102 -0.0085 481 THR 60 H -0.0016 0.0058 -0.0159 482 THR 60 HA -0.0017 0.0086 -0.0087 483 THR 60 HB 0.0032 0.0081 -0.0138 484 THR 60 HG1 -0.0024 0.0063 -0.0141 485 THR 60 HG21 0.0042 0.0103 -0.0090 486 THR 60 HG22 0.0016 0.0105 -0.0061 487 THR 60 HG23 0.0056 0.0110 -0.0082 488 HIS 61 N 0.0054 0.0046 -0.0109 489 HIS 61 CA 0.0065 0.0037 -0.0089 490 HIS 61 C 0.0049 0.0044 -0.0059 491 HIS 61 O 0.0059 0.0036 -0.0036 492 HIS 61 CB 0.0070 0.0036 -0.0104 493 HIS 61 CG 0.0072 0.0033 -0.0083 494 HIS 61 ND1 0.0094 0.0019 -0.0066 495 HIS 61 CD2 0.0055 0.0042 -0.0074 496 HIS 61 CE1 0.0089 0.0020 -0.0048 497 HIS 61 NE2 0.0066 0.0033 -0.0053 498 HIS 61 H 0.0048 0.0051 -0.0128 499 HIS 61 HA 0.0084 0.0026 -0.0083 500 HIS 61 HB2 0.0088 0.0027 -0.0118 501 HIS 61 HB3 0.0054 0.0047 -0.0118 502 HIS 61 HD1 0.0110 0.0010 -0.0066 503 HIS 61 HD2 0.0036 0.0053 -0.0083 504 HIS 61 HE1 0.0099 0.0012 -0.0031 505 PHE 62 N 0.0053 0.0012 -0.0044 506 PHE 62 CA 0.0033 0.0012 -0.0017 507 PHE 62 C 0.0035 0.0007 0.0007 508 PHE 62 O 0.0019 0.0007 0.0031 509 PHE 62 CB 0.0001 0.0025 -0.0024 510 PHE 62 CG -0.0004 0.0032 -0.0049 511 PHE 62 CD1 0.0007 0.0028 -0.0049 512 PHE 62 CD2 -0.0020 0.0042 -0.0074 513 PHE 62 CE1 0.0002 0.0035 -0.0073 514 PHE 62 CE2 -0.0024 0.0049 -0.0098 515 PHE 62 CZ -0.0013 0.0045 -0.0098 516 PHE 62 H 0.0045 0.0018 -0.0062 517 PHE 62 HA 0.0042 0.0007 -0.0007 518 PHE 62 HB2 -0.0010 0.0029 -0.0028 519 PHE 62 HB3 -0.0009 0.0024 -0.0003 520 PHE 62 HD1 0.0019 0.0020 -0.0030 521 PHE 62 HD2 -0.0028 0.0045 -0.0074 522 PHE 62 HE1 0.0011 0.0032 -0.0072 523 PHE 62 HE2 -0.0037 0.0057 -0.0117 524 PHE 62 HZ -0.0017 0.0051 -0.0118 525 ARG 63 N -0.0038 -0.0018 0.0066 526 ARG 63 CA 0.0003 -0.0088 0.0150 527 ARG 63 C 0.0041 -0.0174 0.0263 528 ARG 63 O 0.0085 -0.0241 0.0341 529 ARG 63 CB 0.0116 -0.0090 0.0086 530 ARG 63 CG 0.0071 -0.0012 -0.0008 531 ARG 63 CD 0.0187 -0.0015 -0.0072 532 ARG 63 NE 0.0243 -0.0093 0.0015 533 ARG 63 CZ 0.0330 -0.0106 -0.0016 534 ARG 63 NH1 0.0366 -0.0045 -0.0133 535 ARG 63 NH2 0.0379 -0.0180 0.0070 536 ARG 63 H 0.0023 0.0008 -0.0011 537 ARG 63 HA -0.0086 -0.0075 0.0184 538 ARG 63 HB2 0.0200 -0.0092 0.0040 539 ARG 63 HB3 0.0151 -0.0146 0.0154 540 ARG 63 HG2 -0.0010 -0.0011 0.0038 541 ARG 63 HG3 0.0035 0.0045 -0.0076 542 ARG 63 HD2 0.0148 0.0040 -0.0136 543 ARG 63 HD3 0.0266 -0.0014 -0.0122 544 ARG 63 HE 0.0215 -0.0138 0.0102 545 ARG 63 HH11 0.0329 0.0013 -0.0200 546 ARG 63 HH12 0.0432 -0.0053 -0.0159 547 ARG 63 HH21 0.0352 -0.0227 0.0159 548 ARG 63 HH22 0.0445 -0.0193 0.0052 549 SER 64 N 0.0097 -0.0017 0.0249 550 SER 64 CA 0.0133 0.0012 0.0260 551 SER 64 C 0.0086 -0.0026 0.0261 552 SER 64 O 0.0062 -0.0049 0.0198 553 SER 64 CB 0.0179 0.0045 0.0189 554 SER 64 OG 0.0214 0.0072 0.0172 555 SER 64 H 0.0093 -0.0023 0.0195 556 SER 64 HA 0.0157 0.0035 0.0315 557 SER 64 HB2 0.0154 0.0022 0.0136 558 SER 64 HB3 0.0212 0.0072 0.0202 559 SER 64 HG 0.0244 0.0099 0.0214 560 LYS 65 N 0.0033 0.0135 0.0756 561 LYS 65 CA 0.0217 -0.0086 0.0466 562 LYS 65 C 0.0125 -0.0037 0.0143 563 LYS 65 O 0.0286 -0.0219 -0.0019 564 LYS 65 CB 0.0303 -0.0189 0.0338 565 LYS 65 CG 0.0081 0.0017 0.0222 566 LYS 65 CD -0.0095 0.0149 -0.0122 567 LYS 65 CE -0.0309 0.0350 -0.0221 568 LYS 65 NZ -0.0492 0.0492 -0.0542 569 LYS 65 H -0.0045 0.0221 0.0819 570 LYS 65 HA 0.0390 -0.0242 0.0600 571 LYS 65 HB2 0.0416 -0.0333 0.0102 572 LYS 65 HB3 0.0432 -0.0290 0.0559 573 LYS 65 HG2 0.0171 -0.0080 0.0165 574 LYS 65 HG3 -0.0038 0.0167 0.0451 575 LYS 65 HD2 -0.0187 0.0247 -0.0072 576 LYS 65 HD3 0.0027 -0.0002 -0.0350 577 LYS 65 HE2 -0.0215 0.0247 -0.0290 578 LYS 65 HE3 -0.0418 0.0490 0.0017 579 LYS 65 HZ1 -0.0394 0.0363 -0.0778 580 LYS 65 HZ2 -0.0593 0.0600 -0.0485 581 LYS 65 HZ3 -0.0633 0.0624 -0.0606 582 ASP 66 N 0.0152 -0.0027 0.0233 583 ASP 66 CA 0.0185 -0.0003 0.0167 584 ASP 66 C 0.0198 -0.0043 0.0109 585 ASP 66 O 0.0218 -0.0054 0.0050 586 ASP 66 CB 0.0205 0.0077 0.0168 587 ASP 66 CG 0.0238 0.0108 0.0106 588 ASP 66 OD1 0.0242 0.0129 0.0108 589 ASP 66 OD2 0.0260 0.0113 0.0054 590 ASP 66 H 0.0148 0.0005 0.0266 591 ASP 66 HA 0.0185 -0.0015 0.0159 592 ASP 66 HB2 0.0194 0.0102 0.0214 593 ASP 66 HB3 0.0208 0.0087 0.0168 594 HIS 67 N 0.0135 -0.0032 0.0030 595 HIS 67 CA 0.0127 -0.0030 -0.0005 596 HIS 67 C 0.0102 -0.0062 -0.0017 597 HIS 67 O 0.0091 -0.0066 -0.0048 598 HIS 67 CB 0.0137 -0.0017 0.0000 599 HIS 67 CG 0.0132 -0.0012 -0.0033 600 HIS 67 ND1 0.0129 -0.0002 -0.0067 601 HIS 67 CD2 0.0136 -0.0005 -0.0034 602 HIS 67 CE1 0.0133 0.0012 -0.0088 603 HIS 67 NE2 0.0137 0.0011 -0.0069 604 HIS 67 H 0.0145 -0.0027 0.0052 605 HIS 67 HA 0.0131 -0.0015 -0.0027 606 HIS 67 HB2 0.0155 0.0007 0.0008 607 HIS 67 HB3 0.0132 -0.0033 0.0021 608 HIS 67 HD1 0.0126 -0.0003 -0.0075 609 HIS 67 HD2 0.0135 -0.0016 -0.0011 610 HIS 67 HE1 0.0132 0.0022 -0.0117 611 LYS 68 N 0.0096 -0.0035 0.0007 612 LYS 68 CA 0.0057 -0.0065 -0.0002 613 LYS 68 C 0.0061 -0.0053 0.0013 614 LYS 68 O 0.0047 -0.0074 -0.0007 615 LYS 68 CB 0.0010 -0.0078 0.0025 616 LYS 68 CG 0.0008 -0.0087 0.0012 617 LYS 68 CD -0.0039 -0.0099 0.0042 618 LYS 68 CE -0.0044 -0.0070 0.0097 619 LYS 68 NZ -0.0087 -0.0080 0.0126 620 LYS 68 H 0.0089 -0.0023 0.0034 621 LYS 68 HA 0.0060 -0.0085 -0.0041 622 LYS 68 HB2 0.0007 -0.0057 0.0064 623 LYS 68 HB3 -0.0019 -0.0102 0.0016 624 LYS 68 HG2 0.0016 -0.0105 -0.0027 625 LYS 68 HG3 0.0038 -0.0063 0.0022 626 LYS 68 HD2 -0.0068 -0.0122 0.0034 627 LYS 68 HD3 -0.0040 -0.0106 0.0031 628 LYS 68 HE2 -0.0013 -0.0046 0.0104 629 LYS 68 HE3 -0.0044 -0.0063 0.0108 630 LYS 68 HZ1 -0.0118 -0.0103 0.0120 631 LYS 68 HZ2 -0.0089 -0.0059 0.0163 632 LYS 68 HZ3 -0.0087 -0.0086 0.0115 633 LYS 69 N 0.0129 -0.0162 -0.0066 634 LYS 69 CA 0.0135 -0.0157 -0.0094 635 LYS 69 C 0.0149 -0.0148 -0.0156 636 LYS 69 O 0.0149 -0.0174 -0.0192 637 LYS 69 CB 0.0142 -0.0108 -0.0067 638 LYS 69 CG 0.0153 -0.0084 -0.0098 639 LYS 69 CD 0.0160 -0.0032 -0.0065 640 LYS 69 CE 0.0172 0.0000 -0.0091 641 LYS 69 NZ 0.0178 0.0051 -0.0056 642 LYS 69 H 0.0129 -0.0136 -0.0035 643 LYS 69 HA 0.0126 -0.0194 -0.0089 644 LYS 69 HB2 0.0132 -0.0120 -0.0027 645 LYS 69 HB3 0.0148 -0.0077 -0.0060 646 LYS 69 HG2 0.0163 -0.0075 -0.0138 647 LYS 69 HG3 0.0147 -0.0113 -0.0101 648 LYS 69 HD2 0.0149 -0.0045 -0.0025 649 LYS 69 HD3 0.0165 -0.0007 -0.0059 650 LYS 69 HE2 0.0182 0.0011 -0.0132 651 LYS 69 HE3 0.0167 -0.0024 -0.0093 652 LYS 69 HZ1 0.0187 0.0076 -0.0073 653 LYS 69 HZ2 0.0183 0.0074 -0.0053 654 LYS 69 HZ3 0.0168 0.0042 -0.0016 655 ARG 70 N 0.0149 -0.0128 -0.0121 656 ARG 70 CA 0.0114 -0.0128 -0.0072 657 ARG 70 C 0.0056 -0.0032 -0.0085 658 ARG 70 O -0.0001 -0.0012 -0.0026 659 ARG 70 CB 0.0169 -0.0177 -0.0101 660 ARG 70 CG 0.0136 -0.0187 -0.0045 661 ARG 70 CD 0.0102 -0.0238 0.0052 662 ARG 70 NE 0.0068 -0.0245 0.0108 663 ARG 70 CZ 0.0011 -0.0251 0.0193 664 ARG 70 NH1 -0.0019 -0.0248 0.0233 665 ARG 70 NH2 -0.0016 -0.0258 0.0238 666 ARG 70 H 0.0200 -0.0148 -0.0173 667 ARG 70 HA 0.0088 -0.0162 -0.0002 668 ARG 70 HB2 0.0214 -0.0241 -0.0101 669 ARG 70 HB3 0.0190 -0.0138 -0.0168 670 ARG 70 HG2 0.0179 -0.0223 -0.0069 671 ARG 70 HG3 0.0095 -0.0122 -0.0051 672 ARG 70 HD2 0.0061 -0.0202 0.0075 673 ARG 70 HD3 0.0144 -0.0303 0.0059 674 ARG 70 HE 0.0090 -0.0248 0.0079 675 ARG 70 HH11 -0.0001 -0.0243 0.0202 676 ARG 70 HH12 -0.0063 -0.0252 0.0297 677 ARG 70 HH21 0.0006 -0.0260 0.0209 678 ARG 70 HH22 -0.0059 -0.0262 0.0302 679 LEU 71 N 0.0052 -0.0036 -0.0084 680 LEU 71 CA 0.0047 -0.0024 -0.0085 681 LEU 71 C 0.0038 -0.0031 -0.0084 682 LEU 71 O 0.0027 -0.0024 -0.0084 683 LEU 71 CB 0.0061 -0.0016 -0.0087 684 LEU 71 CG 0.0072 -0.0008 -0.0089 685 LEU 71 CD1 0.0084 0.0000 -0.0091 686 LEU 71 CD2 0.0062 0.0002 -0.0090 687 LEU 71 H 0.0063 -0.0038 -0.0084 688 LEU 71 HA 0.0040 -0.0016 -0.0086 689 LEU 71 HB2 0.0068 -0.0024 -0.0086 690 LEU 71 HB3 0.0057 -0.0007 -0.0088 691 LEU 71 HG 0.0077 -0.0017 -0.0088 692 LEU 71 HD11 0.0079 0.0009 -0.0092 693 LEU 71 HD12 0.0091 -0.0007 -0.0090 694 LEU 71 HD13 0.0092 0.0006 -0.0092 695 LEU 71 HD21 0.0054 -0.0004 -0.0089 696 LEU 71 HD22 0.0057 0.0011 -0.0091 697 LEU 71 HD23 0.0070 0.0007 -0.0092 698 LYS 72 N 0.0052 -0.0040 -0.0112 699 LYS 72 CA 0.0039 0.0002 -0.0086 700 LYS 72 C 0.0075 0.0007 -0.0045 701 LYS 72 O 0.0075 0.0027 -0.0028 702 LYS 72 CB 0.0016 0.0033 -0.0083 703 LYS 72 CG 0.0000 0.0078 -0.0057 704 LYS 72 CD -0.0025 0.0106 -0.0057 705 LYS 72 CE -0.0040 0.0152 -0.0032 706 LYS 72 NZ -0.0066 0.0180 -0.0033 707 LYS 72 H 0.0046 -0.0045 -0.0123 708 LYS 72 HA 0.0021 0.0008 -0.0100 709 LYS 72 HB2 -0.0009 0.0028 -0.0112 710 LYS 72 HB3 0.0034 0.0026 -0.0070 711 LYS 72 HG2 0.0025 0.0084 -0.0027 712 LYS 72 HG3 -0.0017 0.0086 -0.0068 713 LYS 72 HD2 -0.0049 0.0101 -0.0087 714 LYS 72 HD3 -0.0007 0.0099 -0.0045 715 LYS 72 HE2 -0.0016 0.0158 -0.0001 716 LYS 72 HE3 -0.0057 0.0159 -0.0043 717 LYS 72 HZ1 -0.0051 0.0175 -0.0022 718 LYS 72 HZ2 -0.0090 0.0175 -0.0062 719 LYS 72 HZ3 -0.0077 0.0211 -0.0015 720 GLN 73 N -0.0007 -0.0060 -0.0041 721 GLN 73 CA -0.0031 -0.0076 -0.0008 722 GLN 73 C -0.0059 -0.0044 -0.0033 723 GLN 73 O -0.0104 -0.0041 -0.0014 724 GLN 73 CB 0.0013 -0.0112 0.0012 725 GLN 73 CG 0.0041 -0.0147 0.0040 726 GLN 73 CD 0.0087 -0.0181 0.0058 727 GLN 73 OE1 0.0115 -0.0174 0.0036 728 GLN 73 NE2 0.0095 -0.0217 0.0097 729 GLN 73 H 0.0034 -0.0069 -0.0050 730 GLN 73 HA -0.0063 -0.0086 0.0019 731 GLN 73 HB2 0.0046 -0.0102 -0.0016 732 GLN 73 HB3 -0.0006 -0.0123 0.0035 733 GLN 73 HG2 0.0009 -0.0158 0.0069 734 GLN 73 HG3 0.0059 -0.0136 0.0018 735 GLN 73 HE21 0.0071 -0.0220 0.0112 736 GLN 73 HE22 0.0124 -0.0240 0.0110 737 LEU 74 N -0.0145 -0.0118 -0.0096 738 LEU 74 CA -0.0212 -0.0020 -0.0083 739 LEU 74 C -0.0212 0.0046 -0.0077 740 LEU 74 O -0.0280 0.0119 -0.0065 741 LEU 74 CB -0.0175 0.0048 -0.0079 742 LEU 74 CG -0.0244 0.0147 -0.0065 743 LEU 74 CD1 -0.0361 0.0113 -0.0060 744 LEU 74 CD2 -0.0194 0.0207 -0.0064 745 LEU 74 H -0.0072 -0.0117 -0.0102 746 LEU 74 HA -0.0294 -0.0048 -0.0079 747 LEU 74 HB2 -0.0166 -0.0005 -0.0085 748 LEU 74 HB3 -0.0095 0.0075 -0.0083 749 LEU 74 HG -0.0246 0.0203 -0.0060 750 LEU 74 HD11 -0.0407 0.0185 -0.0050 751 LEU 74 HD12 -0.0361 0.0056 -0.0065 752 LEU 74 HD13 -0.0397 0.0076 -0.0060 753 LEU 74 HD21 -0.0191 0.0152 -0.0069 754 LEU 74 HD22 -0.0244 0.0276 -0.0054 755 LEU 74 HD23 -0.0113 0.0234 -0.0068 756 SER 75 N 0.0033 0.0033 -0.0113 757 SER 75 CA 0.0179 0.0041 -0.0055 758 SER 75 C 0.0136 -0.0059 0.0078 759 SER 75 O 0.0251 -0.0083 0.0170 760 SER 75 CB 0.0352 0.0066 -0.0010 761 SER 75 OG 0.0497 0.0081 0.0038 762 SER 75 H -0.0041 0.0072 -0.0209 763 SER 75 HA 0.0192 0.0105 -0.0147 764 SER 75 HB2 0.0376 0.0138 -0.0108 765 SER 75 HB3 0.0338 0.0002 0.0081 766 SER 75 HG 0.0591 0.0143 -0.0012 767 VAL 76 N 0.0010 0.0041 -0.0037 768 VAL 76 CA 0.0008 0.0044 0.0003 769 VAL 76 C 0.0035 0.0026 0.0021 770 VAL 76 O 0.0052 0.0015 0.0041 771 VAL 76 CB -0.0021 0.0064 0.0017 772 VAL 76 CG1 -0.0023 0.0066 0.0058 773 VAL 76 CG2 -0.0048 0.0082 -0.0001 774 VAL 76 H -0.0005 0.0051 -0.0050 775 VAL 76 HA 0.0008 0.0044 0.0009 776 VAL 76 HB -0.0021 0.0064 0.0009 777 VAL 76 HG11 -0.0044 0.0081 0.0067 778 VAL 76 HG12 -0.0022 0.0066 0.0066 779 VAL 76 HG13 -0.0004 0.0054 0.0070 780 VAL 76 HG21 -0.0069 0.0096 0.0009 781 VAL 76 HG22 -0.0047 0.0080 -0.0030 782 VAL 76 HG23 -0.0048 0.0082 0.0006 783 GLU 77 N 0.0030 -0.0017 -0.0065 784 GLU 77 CA 0.0010 -0.0015 -0.0067 785 GLU 77 C 0.0004 0.0023 -0.0074 786 GLU 77 O -0.0019 0.0041 -0.0079 787 GLU 77 CB -0.0025 -0.0036 -0.0066 788 GLU 77 CG -0.0048 -0.0027 -0.0069 789 GLU 77 CD -0.0083 -0.0046 -0.0068 790 GLU 77 OE1 -0.0084 -0.0078 -0.0062 791 GLU 77 OE2 -0.0110 -0.0031 -0.0072 792 GLU 77 H 0.0025 0.0001 -0.0069 793 GLU 77 HA 0.0026 -0.0027 -0.0064 794 GLU 77 HB2 -0.0040 -0.0030 -0.0068 795 GLU 77 HB3 -0.0020 -0.0063 -0.0060 796 GLU 77 HG2 -0.0034 -0.0033 -0.0067 797 GLU 77 HG3 -0.0053 0.0001 -0.0074 798 PRO 78 N 0.0042 0.0024 -0.0081 799 PRO 78 CA 0.0025 0.0132 -0.0099 800 PRO 78 C -0.0081 0.0128 -0.0106 801 PRO 78 O -0.0094 0.0057 -0.0095 802 PRO 78 CB 0.0126 0.0148 -0.0095 803 PRO 78 CG 0.0209 0.0066 -0.0077 804 PRO 78 CD 0.0142 -0.0029 -0.0066 805 PRO 78 HA 0.0021 0.0195 -0.0110 806 PRO 78 HB2 0.0102 0.0133 -0.0095 807 PRO 78 HB3 0.0158 0.0230 -0.0107 808 PRO 78 HG2 0.0260 0.0040 -0.0069 809 PRO 78 HG3 0.0259 0.0101 -0.0079 810 PRO 78 HD2 0.0121 -0.0085 -0.0058 811 PRO 78 HD3 0.0186 -0.0069 -0.0056 812 TYR 79 N -0.0149 0.0080 0.0006 813 TYR 79 CA -0.0156 0.0100 -0.0071 814 TYR 79 C -0.0129 0.0064 -0.0149 815 TYR 79 O -0.0144 0.0094 -0.0192 816 TYR 79 CB -0.0206 0.0184 -0.0084 817 TYR 79 CG -0.0232 0.0219 -0.0013 818 TYR 79 CD1 -0.0252 0.0244 0.0059 819 TYR 79 CD2 -0.0235 0.0225 -0.0017 820 TYR 79 CE1 -0.0275 0.0275 0.0124 821 TYR 79 CE2 -0.0258 0.0256 0.0048 822 TYR 79 CZ -0.0278 0.0281 0.0119 823 TYR 79 OH -0.0301 0.0312 0.0185 824 TYR 79 H -0.0131 0.0047 0.0049 825 TYR 79 HA -0.0142 0.0075 -0.0061 826 TYR 79 HB2 -0.0222 0.0210 -0.0089 827 TYR 79 HB3 -0.0209 0.0195 -0.0144 828 TYR 79 HD1 -0.0249 0.0240 0.0063 829 TYR 79 HD2 -0.0220 0.0206 -0.0073 830 TYR 79 HE1 -0.0290 0.0295 0.0180 831 TYR 79 HE2 -0.0261 0.0261 0.0044 832 TYR 79 HH -0.0281 0.0278 0.0197 833 SER 80 N -0.0200 0.0024 -0.0017 834 SER 80 CA -0.0194 0.0019 -0.0027 835 SER 80 C -0.0201 0.0020 -0.0026 836 SER 80 O -0.0213 0.0024 -0.0019 837 SER 80 CB -0.0176 0.0019 -0.0023 838 SER 80 OG -0.0168 0.0015 -0.0034 839 SER 80 H -0.0197 0.0027 -0.0007 840 SER 80 HA -0.0195 0.0015 -0.0037 841 SER 80 HB2 -0.0172 0.0019 -0.0023 842 SER 80 HB3 -0.0174 0.0023 -0.0013 843 SER 80 HG -0.0167 0.0012 -0.0042 844 GLN 81 N -0.0223 0.0012 0.0075 845 GLN 81 CA -0.0197 0.0010 0.0072 846 GLN 81 C -0.0188 -0.0017 0.0073 847 GLN 81 O -0.0201 -0.0031 0.0076 848 GLN 81 CB -0.0185 0.0026 0.0070 849 GLN 81 CG -0.0157 0.0028 0.0067 850 GLN 81 CD -0.0144 0.0041 0.0064 851 GLN 81 OE1 -0.0152 0.0041 0.0065 852 GLN 81 NE2 -0.0125 0.0054 0.0061 853 GLN 81 H -0.0232 0.0019 0.0076 854 GLN 81 HA -0.0191 0.0017 0.0071 855 GLN 81 HB2 -0.0193 0.0044 0.0070 856 GLN 81 HB3 -0.0188 0.0017 0.0071 857 GLN 81 HG2 -0.0149 0.0010 0.0067 858 GLN 81 HG3 -0.0154 0.0038 0.0066 859 GLN 81 HE21 -0.0120 0.0054 0.0061 860 GLN 81 HE22 -0.0116 0.0062 0.0060 861 GLU 82 N -0.0129 -0.0002 0.0031 862 GLU 82 CA -0.0128 -0.0003 0.0037 863 GLU 82 C -0.0129 -0.0017 0.0030 864 GLU 82 O -0.0128 -0.0021 0.0033 865 GLU 82 CB -0.0129 0.0012 0.0036 866 GLU 82 CG -0.0128 0.0012 0.0042 867 GLU 82 CD -0.0129 0.0028 0.0041 868 GLU 82 OE1 -0.0131 0.0032 0.0029 869 GLU 82 OE2 -0.0127 0.0036 0.0053 870 GLU 82 H -0.0128 -0.0006 0.0038 871 GLU 82 HA -0.0126 -0.0007 0.0049 872 GLU 82 HB2 -0.0128 0.0021 0.0042 873 GLU 82 HB3 -0.0132 0.0016 0.0024 874 GLU 82 HG2 -0.0129 0.0004 0.0036 875 GLU 82 HG3 -0.0125 0.0009 0.0054 876 GLU 83 N 0.0008 -0.0021 -0.0161 877 GLU 83 CA 0.0127 -0.0034 -0.0253 878 GLU 83 C 0.0317 0.0020 -0.0145 879 GLU 83 O 0.0478 0.0015 -0.0223 880 GLU 83 CB 0.0010 -0.0053 -0.0271 881 GLU 83 CG 0.0122 -0.0069 -0.0365 882 GLU 83 CD -0.0007 -0.0093 -0.0398 883 GLU 83 OE1 -0.0055 -0.0059 -0.0264 884 GLU 83 OE2 -0.0065 -0.0149 -0.0562 885 GLU 83 H -0.0024 0.0017 -0.0025 886 GLU 83 HA 0.0167 -0.0072 -0.0393 887 GLU 83 HB2 -0.0118 -0.0092 -0.0353 888 GLU 83 HB3 -0.0038 -0.0017 -0.0130 889 GLU 83 HG2 0.0241 -0.0028 -0.0276 890 GLU 83 HG3 0.0183 -0.0102 -0.0500 891 ALA 84 N 0.0211 0.0019 -0.0153 892 ALA 84 CA 0.0455 0.0059 0.0016 893 ALA 84 C 0.0483 0.0107 0.0218 894 ALA 84 O 0.0620 0.0156 0.0426 895 ALA 84 CB 0.0436 0.0091 0.0151 896 ALA 84 H 0.0030 0.0036 -0.0082 897 ALA 84 HA 0.0631 0.0029 -0.0113 898 ALA 84 HB1 0.0615 0.0121 0.0277 899 ALA 84 HB2 0.0253 0.0120 0.0272 900 ALA 84 HB3 0.0435 0.0056 0.0001 901 GLU 85 N 0.0151 -0.0046 0.0083 902 GLU 85 CA 0.0104 -0.0060 0.0139 903 GLU 85 C 0.0025 -0.0036 0.0074 904 GLU 85 O -0.0055 -0.0029 0.0063 905 GLU 85 CB 0.0058 -0.0085 0.0230 906 GLU 85 CG 0.0022 -0.0105 0.0305 907 GLU 85 CD -0.0073 -0.0093 0.0281 908 GLU 85 OE1 -0.0157 -0.0095 0.0302 909 GLU 85 OE2 -0.0067 -0.0082 0.0242 910 GLU 85 H 0.0122 -0.0026 0.0021 911 GLU 85 HA 0.0157 -0.0068 0.0158 912 GLU 85 HB2 0.0113 -0.0097 0.0262 913 GLU 85 HB3 -0.0005 -0.0075 0.0208 914 GLU 85 HG2 0.0083 -0.0107 0.0300 915 GLU 85 HG3 0.0018 -0.0126 0.0374 916 ARG 86 N 0.0180 -0.0135 -0.0016 917 ARG 86 CA 0.0212 -0.0144 0.0022 918 ARG 86 C 0.0182 -0.0143 -0.0043 919 ARG 86 O 0.0111 -0.0115 -0.0095 920 ARG 86 CB 0.0194 -0.0104 0.0130 921 ARG 86 CG 0.0101 -0.0044 0.0152 922 ARG 86 CD 0.0028 -0.0015 0.0098 923 ARG 86 NE -0.0058 0.0040 0.0116 924 ARG 86 CZ -0.0135 0.0072 0.0065 925 ARG 86 NH1 -0.0139 0.0056 -0.0004 926 ARG 86 NH2 -0.0208 0.0121 0.0085 927 ARG 86 H 0.0117 -0.0102 -0.0033 928 ARG 86 HA 0.0282 -0.0185 0.0023 929 ARG 86 HB2 0.0204 -0.0105 0.0150 930 ARG 86 HB3 0.0241 -0.0120 0.0177 931 ARG 86 HG2 0.0099 -0.0022 0.0230 932 ARG 86 HG3 0.0090 -0.0042 0.0132 933 ARG 86 HD2 0.0033 -0.0038 0.0021 934 ARG 86 HD3 0.0036 -0.0012 0.0125 935 ARG 86 HE -0.0057 0.0054 0.0168 936 ARG 86 HH11 -0.0086 0.0020 -0.0023 937 ARG 86 HH12 -0.0196 0.0080 -0.0043 938 ARG 86 HH21 -0.0208 0.0135 0.0137 939 ARG 86 HH22 -0.0267 0.0146 0.0049 940 ALA 87 N 0.0028 -0.0133 0.0045 941 ALA 87 CA 0.0032 -0.0140 -0.0036 942 ALA 87 C 0.0025 -0.0126 -0.0019 943 ALA 87 O 0.0045 -0.0161 -0.0056 944 ALA 87 CB 0.0077 -0.0218 -0.0071 945 ALA 87 H 0.0051 -0.0176 0.0086 946 ALA 87 HA 0.0010 -0.0099 -0.0081 947 ALA 87 HB1 0.0099 -0.0259 -0.0025 948 ALA 87 HB2 0.0082 -0.0227 -0.0083 949 ALA 87 HB3 0.0081 -0.0224 -0.0130 950 ALA 88 N -0.0072 -0.0091 0.0174 951 ALA 88 CA -0.0032 -0.0017 -0.0033 952 ALA 88 C 0.0201 -0.0138 -0.0028 953 ALA 88 O 0.0407 -0.0187 -0.0150 954 ALA 88 CB -0.0018 0.0089 -0.0285 955 ALA 88 H 0.0069 -0.0176 0.0204 956 ALA 88 HA -0.0189 0.0050 -0.0008 957 ALA 88 HB1 0.0140 0.0022 -0.0314 958 ALA 88 HB2 -0.0187 0.0174 -0.0283 959 ALA 88 HB3 0.0006 0.0145 -0.0436 960 GLY 89 N -0.0167 -0.0131 0.0097 961 GLY 89 CA -0.0106 -0.0139 0.0096 962 GLY 89 C -0.0112 -0.0139 0.0107 963 GLY 89 O -0.0144 -0.0131 0.0072 964 GLY 89 H -0.0203 -0.0129 0.0116 965 GLY 89 HA2 -0.0084 -0.0135 0.0051 966 GLY 89 HA3 -0.0077 -0.0147 0.0133 967 MET 90 N 0.0024 -0.0080 -0.0062 968 MET 90 CA 0.0027 -0.0080 -0.0058 969 MET 90 C 0.0042 -0.0079 -0.0084 970 MET 90 O 0.0028 -0.0079 -0.0107 971 MET 90 CB -0.0003 -0.0082 -0.0051 972 MET 90 CG -0.0002 -0.0082 -0.0041 973 MET 90 SD 0.0014 -0.0081 -0.0067 974 MET 90 CE 0.0008 -0.0081 -0.0048 975 MET 90 H 0.0034 -0.0080 -0.0048 976 MET 90 HA 0.0041 -0.0080 -0.0040 977 MET 90 HB2 -0.0014 -0.0083 -0.0035 978 MET 90 HB3 -0.0016 -0.0082 -0.0071 979 MET 90 HG2 0.0011 -0.0082 -0.0022 980 MET 90 HG3 -0.0023 -0.0083 -0.0036 981 MET 90 HE1 0.0020 -0.0081 -0.0028 982 MET 90 HE2 0.0016 -0.0081 -0.0061 983 MET 90 HE3 -0.0014 -0.0082 -0.0044 984 GLY 91 N -0.0073 -0.0004 -0.0094 985 GLY 91 CA -0.0082 0.0009 -0.0093 986 GLY 91 C -0.0100 -0.0008 -0.0083 987 GLY 91 O -0.0095 -0.0019 -0.0083 988 GLY 91 H -0.0065 -0.0022 -0.0094 989 GLY 91 HA2 -0.0091 0.0028 -0.0093 990 GLY 91 HA3 -0.0066 0.0012 -0.0100 991 SER 92 N -0.0036 -0.0037 0.0016 992 SER 92 CA -0.0049 -0.0062 0.0048 993 SER 92 C -0.0051 -0.0052 0.0107 994 SER 92 O -0.0035 -0.0010 0.0127 995 SER 92 CB -0.0041 -0.0045 0.0034 996 SER 92 OG -0.0040 -0.0054 -0.0022 997 SER 92 H -0.0021 -0.0000 0.0018 998 SER 92 HA -0.0065 -0.0101 0.0039 999 SER 92 HB2 -0.0026 -0.0006 0.0043 1000 SER 92 HB3 -0.0052 -0.0065 0.0057 1001 SER 92 HG -0.0042 -0.0062 -0.0037 1002 TYR 93 N 0.0005 0.0005 0.0084 1003 TYR 93 CA 0.0001 0.0009 0.0072 1004 TYR 93 C 0.0006 0.0006 0.0082 1005 TYR 93 O 0.0017 0.0003 0.0095 1006 TYR 93 CB 0.0012 0.0015 0.0055 1007 TYR 93 CG 0.0006 0.0020 0.0040 1008 TYR 93 CD1 -0.0008 0.0023 0.0028 1009 TYR 93 CD2 0.0015 0.0021 0.0038 1010 TYR 93 CE1 -0.0013 0.0027 0.0014 1011 TYR 93 CE2 0.0010 0.0025 0.0024 1012 TYR 93 CZ -0.0004 0.0028 0.0012 1013 TYR 93 OH -0.0009 0.0032 -0.0001 1014 TYR 93 H 0.0019 0.0006 0.0087 1015 TYR 93 HA -0.0014 0.0008 0.0069 1016 TYR 93 HB2 0.0010 0.0017 0.0050 1017 TYR 93 HB3 0.0026 0.0016 0.0058 1018 TYR 93 HD1 -0.0015 0.0021 0.0029 1019 TYR 93 HD2 0.0026 0.0019 0.0047 1020 TYR 93 HE1 -0.0024 0.0029 0.0005 1021 TYR 93 HE2 0.0017 0.0027 0.0023 1022 TYR 93 HH -0.0011 0.0030 0.0004 1023 VAL 94 N 0.0209 0.0089 -0.0042 1024 VAL 94 CA 0.0131 0.0030 -0.0030 1025 VAL 94 C 0.0123 0.0012 -0.0031 1026 VAL 94 O 0.0105 0.0076 -0.0016 1027 VAL 94 CB 0.0041 0.0065 -0.0000 1028 VAL 94 CG1 0.0022 0.0161 0.0021 1029 VAL 94 CG2 -0.0037 -0.0001 0.0011 1030 VAL 94 H 0.0200 0.0148 -0.0030 1031 VAL 94 HA 0.0144 -0.0036 -0.0044 1032 VAL 94 HB 0.0050 0.0067 -0.0002 1033 VAL 94 HG11 -0.0040 0.0182 0.0041 1034 VAL 94 HG12 0.0016 0.0163 0.0022 1035 VAL 94 HG13 0.0076 0.0208 0.0013 1036 VAL 94 HG21 -0.0045 -0.0007 0.0012 1037 VAL 94 HG22 -0.0098 0.0024 0.0031 1038 VAL 94 HG23 -0.0025 -0.0068 -0.0003