1 ASP 28 N 0.0525 -0.0583 0.0659 2 ASP 28 CA 0.0367 -0.0612 0.0677 3 ASP 28 C 0.0341 -0.0620 0.0683 4 ASP 28 O 0.0392 -0.0539 0.0627 5 ASP 28 CB 0.0267 -0.0513 0.0608 6 ASP 28 CG 0.0101 -0.0536 0.0623 7 ASP 28 OD1 0.0042 -0.0627 0.0686 8 ASP 28 OD2 0.0028 -0.0461 0.0570 9 ASP 28 H 0.0546 -0.0575 0.0653 10 ASP 28 HA 0.0343 -0.0700 0.0738 11 ASP 28 HB2 0.0287 -0.0508 0.0605 12 ASP 28 HB3 0.0295 -0.0424 0.0547 13 PRO 29 N 0.0282 -0.0735 0.0804 14 PRO 29 CA 0.0259 -0.0742 0.0807 15 PRO 29 C 0.0149 -0.0633 0.0706 16 PRO 29 O 0.0013 -0.0612 0.0673 17 PRO 29 CB 0.0166 -0.0880 0.0908 18 PRO 29 CG 0.0190 -0.0959 0.0974 19 PRO 29 CD 0.0209 -0.0858 0.0896 20 PRO 29 HA 0.0381 -0.0735 0.0816 21 PRO 29 HB2 0.0032 -0.0866 0.0881 22 PRO 29 HB3 0.0221 -0.0926 0.0952 23 PRO 29 HG2 0.0080 -0.1028 0.1017 24 PRO 29 HG3 0.0305 -0.1013 0.1031 25 PRO 29 HD2 0.0086 -0.0844 0.0869 26 PRO 29 HD3 0.0297 -0.0893 0.0934 27 ASN 30 N 0.0183 -0.0534 0.0631 28 ASN 30 CA 0.0119 -0.0449 0.0554 29 ASN 30 C 0.0095 -0.0370 0.0490 30 ASN 30 O -0.0010 -0.0373 0.0470 31 ASN 30 CB -0.0002 -0.0492 0.0561 32 ASN 30 CG -0.0079 -0.0410 0.0482 33 ASN 30 OD1 -0.0057 -0.0374 0.0460 34 ASN 30 ND2 -0.0171 -0.0382 0.0442 35 ASN 30 H 0.0259 -0.0550 0.0660 36 ASN 30 HA 0.0184 -0.0408 0.0537 37 ASN 30 HB2 0.0026 -0.0540 0.0602 38 ASN 30 HB3 -0.0056 -0.0542 0.0586 39 ASN 30 HD21 -0.0186 -0.0415 0.0463 40 ASN 30 HD22 -0.0221 -0.0328 0.0391 41 ALA 31 N 0.0189 -0.0275 0.0444 42 ALA 31 CA 0.0180 -0.0194 0.0381 43 ALA 31 C 0.0287 -0.0136 0.0338 44 ALA 31 O 0.0371 -0.0150 0.0351 45 ALA 31 CB 0.0157 -0.0217 0.0398 46 ALA 31 H 0.0265 -0.0290 0.0458 47 ALA 31 HA 0.0109 -0.0157 0.0349 48 ALA 31 HB1 0.0147 -0.0156 0.0349 49 ALA 31 HB2 0.0228 -0.0254 0.0429 50 ALA 31 HB3 0.0080 -0.0258 0.0428 51 GLU 32 N 0.0246 -0.0064 0.0310 52 GLU 32 CA 0.0317 -0.0014 0.0273 53 GLU 32 C 0.0293 0.0034 0.0220 54 GLU 32 O 0.0348 0.0074 0.0190 55 GLU 32 CB 0.0335 0.0017 0.0245 56 GLU 32 CG 0.0259 0.0046 0.0202 57 GLU 32 CD 0.0283 0.0078 0.0174 58 GLU 32 OE1 0.0316 0.0134 0.0123 59 GLU 32 OE2 0.0270 0.0047 0.0203 60 GLU 32 H 0.0206 -0.0063 0.0301 61 GLU 32 HA 0.0373 -0.0035 0.0305 62 GLU 32 HB2 0.0389 0.0054 0.0219 63 GLU 32 HB3 0.0352 -0.0019 0.0285 64 GLU 32 HG2 0.0204 0.0009 0.0228 65 GLU 32 HG3 0.0240 0.0080 0.0163 66 PHE 33 N 0.0223 0.0027 0.0186 67 PHE 33 CA 0.0186 0.0080 0.0140 68 PHE 33 C 0.0168 0.0057 0.0163 69 PHE 33 O 0.0174 -0.0003 0.0216 70 PHE 33 CB 0.0099 0.0107 0.0123 71 PHE 33 CG 0.0034 0.0054 0.0174 72 PHE 33 CD1 -0.0023 0.0034 0.0196 73 PHE 33 CD2 0.0030 0.0024 0.0201 74 PHE 33 CE1 -0.0081 -0.0014 0.0243 75 PHE 33 CE2 -0.0028 -0.0025 0.0249 76 PHE 33 CZ -0.0084 -0.0044 0.0270 77 PHE 33 H 0.0186 -0.0008 0.0219 78 PHE 33 HA 0.0232 0.0120 0.0102 79 PHE 33 HB2 0.0068 0.0143 0.0093 80 PHE 33 HB3 0.0114 0.0130 0.0101 81 PHE 33 HD1 -0.0021 0.0057 0.0175 82 PHE 33 HD2 0.0074 0.0039 0.0185 83 PHE 33 HE1 -0.0125 -0.0029 0.0260 84 PHE 33 HE2 -0.0030 -0.0048 0.0270 85 PHE 33 HZ -0.0130 -0.0082 0.0307 86 ASP 34 N 0.0116 0.0102 0.0114 87 ASP 34 CA 0.0083 0.0101 0.0125 88 ASP 34 C 0.0031 0.0109 0.0125 89 ASP 34 O 0.0019 0.0123 0.0094 90 ASP 34 CB 0.0091 0.0115 0.0091 91 ASP 34 CG 0.0061 0.0113 0.0104 92 ASP 34 OD1 0.0017 0.0121 0.0099 93 ASP 34 OD2 0.0083 0.0103 0.0121 94 ASP 34 H 0.0120 0.0115 0.0082 95 ASP 34 HA 0.0090 0.0086 0.0159 96 ASP 34 HB2 0.0129 0.0111 0.0089 97 ASP 34 HB3 0.0080 0.0130 0.0058 98 PRO 35 N -0.0009 0.0067 0.0178 99 PRO 35 CA -0.0072 0.0078 0.0185 100 PRO 35 C -0.0104 0.0108 0.0155 101 PRO 35 O -0.0157 0.0119 0.0159 102 PRO 35 CB -0.0089 0.0043 0.0238 103 PRO 35 CG -0.0046 0.0024 0.0248 104 PRO 35 CD 0.0010 0.0034 0.0216 105 PRO 35 HA -0.0085 0.0087 0.0177 106 PRO 35 HB2 -0.0133 0.0049 0.0244 107 PRO 35 HB3 -0.0085 0.0026 0.0258 108 PRO 35 HG2 -0.0061 0.0035 0.0239 109 PRO 35 HG3 -0.0040 -0.0005 0.0285 110 PRO 35 HD2 0.0031 0.0040 0.0201 111 PRO 35 HD3 0.0038 0.0012 0.0236 112 ASP 36 N -0.0051 0.0136 0.0114 113 ASP 36 CA -0.0082 0.0150 0.0088 114 ASP 36 C -0.0074 0.0157 0.0046 115 ASP 36 O -0.0102 0.0169 0.0024 116 ASP 36 CB -0.0084 0.0150 0.0089 117 ASP 36 CG -0.0114 0.0164 0.0061 118 ASP 36 OD1 -0.0150 0.0172 0.0071 119 ASP 36 OD2 -0.0103 0.0168 0.0028 120 ASP 36 H -0.0025 0.0129 0.0113 121 ASP 36 HA -0.0110 0.0155 0.0100 122 ASP 36 HB2 -0.0091 0.0146 0.0119 123 ASP 36 HB3 -0.0055 0.0145 0.0079 124 LEU 37 N -0.0030 0.0147 0.0021 125 LEU 37 CA -0.0020 0.0149 -0.0013 126 LEU 37 C -0.0013 0.0149 -0.0023 127 LEU 37 O 0.0004 0.0147 -0.0004 128 LEU 37 CB 0.0010 0.0147 -0.0021 129 LEU 37 CG 0.0005 0.0148 -0.0023 130 LEU 37 CD1 -0.0021 0.0152 -0.0049 131 LEU 37 CD2 -0.0006 0.0146 0.0010 132 LEU 37 H -0.0014 0.0144 0.0039 133 LEU 37 HA -0.0040 0.0152 -0.0027 134 LEU 37 HB2 0.0028 0.0144 -0.0001 135 LEU 37 HB3 0.0021 0.0148 -0.0044 136 LEU 37 HG 0.0028 0.0147 -0.0030 137 LEU 37 HD11 -0.0024 0.0152 -0.0050 138 LEU 37 HD12 -0.0044 0.0153 -0.0043 139 LEU 37 HD13 -0.0012 0.0153 -0.0073 140 LEU 37 HD21 -0.0010 0.0147 0.0008 141 LEU 37 HD22 0.0013 0.0143 0.0028 142 LEU 37 HD23 -0.0028 0.0147 0.0019 143 PRO 38 N -0.0004 0.0128 -0.0061 144 PRO 38 CA 0.0012 0.0126 -0.0082 145 PRO 38 C 0.0043 0.0135 -0.0087 146 PRO 38 O 0.0048 0.0135 -0.0091 147 PRO 38 CB -0.0003 0.0110 -0.0108 148 PRO 38 CG -0.0032 0.0104 -0.0098 149 PRO 38 CD -0.0029 0.0115 -0.0071 150 PRO 38 HA 0.0012 0.0128 -0.0076 151 PRO 38 HB2 0.0009 0.0109 -0.0122 152 PRO 38 HB3 -0.0003 0.0105 -0.0120 153 PRO 38 HG2 -0.0040 0.0095 -0.0113 154 PRO 38 HG3 -0.0045 0.0101 -0.0093 155 PRO 38 HD2 -0.0025 0.0115 -0.0076 156 PRO 38 HD3 -0.0048 0.0114 -0.0056 157 GLY 39 N 0.0046 0.0141 -0.0096 158 GLY 39 CA 0.0078 0.0152 -0.0101 159 GLY 39 C 0.0089 0.0166 -0.0073 160 GLY 39 O 0.0113 0.0174 -0.0075 161 GLY 39 H 0.0038 0.0140 -0.0092 162 GLY 39 HA2 0.0090 0.0155 -0.0108 163 GLY 39 HA3 0.0082 0.0148 -0.0120 164 GLY 40 N 0.0057 0.0173 -0.0030 165 GLY 40 CA 0.0078 0.0168 0.0002 166 GLY 40 C 0.0094 0.0172 -0.0005 167 GLY 40 O 0.0115 0.0170 0.0017 168 GLY 40 H 0.0030 0.0169 -0.0028 169 GLY 40 HA2 0.0060 0.0161 0.0024 170 GLY 40 HA3 0.0099 0.0170 0.0007 171 GLY 41 N 0.0083 0.0163 -0.0041 172 GLY 41 CA 0.0087 0.0163 -0.0048 173 GLY 41 C 0.0115 0.0167 -0.0057 174 GLY 41 O 0.0123 0.0168 -0.0061 175 GLY 41 H 0.0072 0.0161 -0.0052 176 GLY 41 HA2 0.0073 0.0160 -0.0063 177 GLY 41 HA3 0.0082 0.0164 -0.0031 178 LEU 42 N 0.0143 0.0170 -0.0056 179 LEU 42 CA 0.0184 0.0181 -0.0066 180 LEU 42 C 0.0190 0.0188 -0.0111 181 LEU 42 O 0.0223 0.0198 -0.0124 182 LEU 42 CB 0.0197 0.0182 -0.0049 183 LEU 42 CG 0.0193 0.0175 -0.0004 184 LEU 42 CD1 0.0206 0.0177 0.0009 185 LEU 42 CD2 0.0217 0.0178 0.0020 186 LEU 42 H 0.0126 0.0166 -0.0055 187 LEU 42 HA 0.0201 0.0184 -0.0052 188 LEU 42 HB2 0.0179 0.0180 -0.0064 189 LEU 42 HB3 0.0227 0.0190 -0.0057 190 LEU 42 HG 0.0163 0.0167 0.0004 191 LEU 42 HD11 0.0204 0.0172 0.0040 192 LEU 42 HD12 0.0236 0.0185 0.0000 193 LEU 42 HD13 0.0188 0.0174 -0.0006 194 LEU 42 HD21 0.0247 0.0186 0.0012 195 LEU 42 HD22 0.0214 0.0173 0.0051 196 LEU 42 HD23 0.0205 0.0176 0.0012 197 HIS 43 N 0.0123 0.0174 -0.0122 198 HIS 43 CA 0.0127 0.0166 -0.0145 199 HIS 43 C 0.0108 0.0150 -0.0145 200 HIS 43 O 0.0093 0.0135 -0.0148 201 HIS 43 CB 0.0132 0.0159 -0.0166 202 HIS 43 CG 0.0149 0.0174 -0.0167 203 HIS 43 ND1 0.0170 0.0186 -0.0177 204 HIS 43 CD2 0.0149 0.0178 -0.0158 205 HIS 43 CE1 0.0181 0.0197 -0.0175 206 HIS 43 NE2 0.0169 0.0192 -0.0164 207 HIS 43 H 0.0110 0.0167 -0.0116 208 HIS 43 HA 0.0139 0.0175 -0.0148 209 HIS 43 HB2 0.0118 0.0148 -0.0166 210 HIS 43 HB3 0.0137 0.0155 -0.0183 211 HIS 43 HD1 0.0175 0.0187 -0.0184 212 HIS 43 HD2 0.0136 0.0171 -0.0149 213 HIS 43 HE1 0.0198 0.0208 -0.0182 214 HIS 43 HE2 0.0174 0.0200 -0.0157 215 ARG 44 N 0.0091 0.0131 -0.0143 216 ARG 44 CA 0.0075 0.0122 -0.0147 217 ARG 44 C 0.0080 0.0115 -0.0161 218 ARG 44 O 0.0094 0.0119 -0.0164 219 ARG 44 CB 0.0066 0.0128 -0.0132 220 ARG 44 CG 0.0065 0.0138 -0.0115 221 ARG 44 CD 0.0058 0.0143 -0.0101 222 ARG 44 NE 0.0057 0.0153 -0.0084 223 ARG 44 CZ 0.0049 0.0158 -0.0070 224 ARG 44 NH1 0.0042 0.0155 -0.0072 225 ARG 44 NH2 0.0048 0.0168 -0.0055 226 ARG 44 H 0.0102 0.0136 -0.0142 227 ARG 44 HA 0.0065 0.0117 -0.0148 228 ARG 44 HB2 0.0074 0.0130 -0.0133 229 ARG 44 HB3 0.0053 0.0121 -0.0134 230 ARG 44 HG2 0.0055 0.0135 -0.0113 231 ARG 44 HG3 0.0078 0.0144 -0.0113 232 ARG 44 HD2 0.0067 0.0145 -0.0104 233 ARG 44 HD3 0.0044 0.0136 -0.0103 234 ARG 44 HE 0.0062 0.0156 -0.0083 235 ARG 44 HH11 0.0042 0.0148 -0.0083 236 ARG 44 HH12 0.0036 0.0158 -0.0062 237 ARG 44 HH21 0.0053 0.0171 -0.0053 238 ARG 44 HH22 0.0043 0.0172 -0.0044 239 CYS 45 N 0.0057 0.0097 -0.0156 240 CYS 45 CA 0.0050 0.0085 -0.0150 241 CYS 45 C 0.0033 0.0086 -0.0140 242 CYS 45 O 0.0030 0.0080 -0.0137 243 CYS 45 CB 0.0057 0.0065 -0.0152 244 CYS 45 SG 0.0045 0.0049 -0.0144 245 CYS 45 H 0.0060 0.0093 -0.0158 246 CYS 45 HA 0.0050 0.0091 -0.0151 247 CYS 45 HB2 0.0068 0.0066 -0.0159 248 CYS 45 HB3 0.0059 0.0060 -0.0153 249 LEU 46 N 0.0015 0.0086 -0.0130 250 LEU 46 CA -0.0000 0.0089 -0.0124 251 LEU 46 C -0.0007 0.0074 -0.0119 252 LEU 46 O -0.0016 0.0074 -0.0115 253 LEU 46 CB -0.0009 0.0097 -0.0121 254 LEU 46 CG -0.0004 0.0113 -0.0126 255 LEU 46 CD1 -0.0013 0.0119 -0.0123 256 LEU 46 CD2 -0.0005 0.0126 -0.0128 257 LEU 46 H 0.0018 0.0087 -0.0131 258 LEU 46 HA -0.0000 0.0097 -0.0125 259 LEU 46 HB2 -0.0009 0.0089 -0.0120 260 LEU 46 HB3 -0.0021 0.0099 -0.0117 261 LEU 46 HG 0.0008 0.0111 -0.0131 262 LEU 46 HD11 -0.0011 0.0111 -0.0123 263 LEU 46 HD12 -0.0010 0.0131 -0.0127 264 LEU 46 HD13 -0.0025 0.0120 -0.0119 265 LEU 46 HD21 0.0002 0.0122 -0.0130 266 LEU 46 HD22 -0.0017 0.0127 -0.0123 267 LEU 46 HD23 -0.0002 0.0137 -0.0131 268 ALA 47 N -0.0008 0.0060 -0.0124 269 ALA 47 CA -0.0008 0.0042 -0.0111 270 ALA 47 C 0.0011 0.0037 -0.0113 271 ALA 47 O 0.0011 0.0025 -0.0103 272 ALA 47 CB -0.0006 0.0027 -0.0099 273 ALA 47 H -0.0005 0.0061 -0.0126 274 ALA 47 HA -0.0024 0.0043 -0.0106 275 ALA 47 HB1 -0.0007 0.0014 -0.0089 276 ALA 47 HB2 0.0010 0.0026 -0.0103 277 ALA 47 HB3 -0.0020 0.0030 -0.0098 278 CYS 48 N 0.0013 0.0045 -0.0121 279 CYS 48 CA 0.0020 0.0040 -0.0122 280 CYS 48 C 0.0017 0.0056 -0.0124 281 CYS 48 O 0.0020 0.0053 -0.0124 282 CYS 48 CB 0.0040 0.0033 -0.0129 283 CYS 48 SG 0.0043 0.0011 -0.0127 284 CYS 48 H 0.0019 0.0055 -0.0124 285 CYS 48 HA 0.0012 0.0029 -0.0118 286 CYS 48 HB2 0.0050 0.0041 -0.0134 287 CYS 48 HB3 0.0045 0.0029 -0.0130 288 ALA 49 N 0.0007 0.0072 -0.0130 289 ALA 49 CA 0.0003 0.0084 -0.0124 290 ALA 49 C 0.0011 0.0087 -0.0126 291 ALA 49 O 0.0007 0.0094 -0.0122 292 ALA 49 CB -0.0013 0.0082 -0.0119 293 ALA 49 H 0.0010 0.0073 -0.0131 294 ALA 49 HA 0.0005 0.0093 -0.0122 295 ALA 49 HB1 -0.0016 0.0074 -0.0121 296 ALA 49 HB2 -0.0018 0.0081 -0.0117 297 ALA 49 HB3 -0.0016 0.0092 -0.0114 298 ARG 50 N 0.0018 0.0079 -0.0135 299 ARG 50 CA 0.0032 0.0079 -0.0142 300 ARG 50 C 0.0042 0.0093 -0.0147 301 ARG 50 O 0.0043 0.0096 -0.0148 302 ARG 50 CB 0.0040 0.0062 -0.0146 303 ARG 50 CG 0.0031 0.0047 -0.0141 304 ARG 50 CD 0.0041 0.0031 -0.0145 305 ARG 50 NE 0.0032 0.0016 -0.0141 306 ARG 50 CZ 0.0037 0.0000 -0.0143 307 ARG 50 NH1 0.0051 -0.0004 -0.0150 308 ARG 50 NH2 0.0028 -0.0012 -0.0138 309 ARG 50 H 0.0018 0.0074 -0.0135 310 ARG 50 HA 0.0028 0.0082 -0.0140 311 ARG 50 HB2 0.0043 0.0059 -0.0147 312 ARG 50 HB3 0.0051 0.0064 -0.0151 313 ARG 50 HG2 0.0028 0.0050 -0.0140 314 ARG 50 HG3 0.0021 0.0046 -0.0136 315 ARG 50 HD2 0.0044 0.0028 -0.0147 316 ARG 50 HD3 0.0051 0.0033 -0.0150 317 ARG 50 HE 0.0022 0.0019 -0.0136 318 ARG 50 HH11 0.0058 0.0005 -0.0153 319 ARG 50 HH12 0.0055 -0.0016 -0.0152 320 ARG 50 HH21 0.0018 -0.0010 -0.0133 321 ARG 50 HH22 0.0032 -0.0024 -0.0140 322 TYR 51 N 0.0028 0.0099 -0.0147 323 TYR 51 CA 0.0044 0.0109 -0.0139 324 TYR 51 C 0.0051 0.0105 -0.0152 325 TYR 51 O 0.0038 0.0098 -0.0155 326 TYR 51 CB 0.0035 0.0118 -0.0119 327 TYR 51 CG 0.0026 0.0122 -0.0106 328 TYR 51 CD1 0.0006 0.0115 -0.0105 329 TYR 51 CD2 0.0038 0.0133 -0.0096 330 TYR 51 CE1 -0.0002 0.0119 -0.0093 331 TYR 51 CE2 0.0030 0.0137 -0.0084 332 TYR 51 CZ 0.0010 0.0130 -0.0083 333 TYR 51 OH 0.0002 0.0133 -0.0071 334 TYR 51 H 0.0015 0.0095 -0.0144 335 TYR 51 HA 0.0057 0.0115 -0.0139 336 TYR 51 HB2 0.0023 0.0113 -0.0120 337 TYR 51 HB3 0.0047 0.0126 -0.0113 338 TYR 51 HD1 -0.0004 0.0107 -0.0112 339 TYR 51 HD2 0.0055 0.0139 -0.0097 340 TYR 51 HE1 -0.0018 0.0113 -0.0092 341 TYR 51 HE2 0.0040 0.0145 -0.0076 342 TYR 51 HH -0.0012 0.0132 -0.0065 343 PHE 52 N 0.0084 0.0098 -0.0168 344 PHE 52 CA 0.0096 0.0093 -0.0184 345 PHE 52 C 0.0105 0.0108 -0.0189 346 PHE 52 O 0.0106 0.0124 -0.0182 347 PHE 52 CB 0.0102 0.0091 -0.0192 348 PHE 52 CG 0.0093 0.0076 -0.0188 349 PHE 52 CD1 0.0084 0.0080 -0.0175 350 PHE 52 CD2 0.0094 0.0059 -0.0197 351 PHE 52 CE1 0.0076 0.0067 -0.0171 352 PHE 52 CE2 0.0086 0.0046 -0.0193 353 PHE 52 CZ 0.0077 0.0050 -0.0180 354 PHE 52 H 0.0085 0.0109 -0.0164 355 PHE 52 HA 0.0093 0.0080 -0.0186 356 PHE 52 HB2 0.0104 0.0104 -0.0190 357 PHE 52 HB3 0.0110 0.0087 -0.0204 358 PHE 52 HD1 0.0083 0.0094 -0.0168 359 PHE 52 HD2 0.0101 0.0055 -0.0207 360 PHE 52 HE1 0.0069 0.0071 -0.0161 361 PHE 52 HE2 0.0087 0.0032 -0.0200 362 PHE 52 HZ 0.0071 0.0040 -0.0177 363 ILE 53 N 0.0090 0.0096 -0.0184 364 ILE 53 CA 0.0105 0.0113 -0.0182 365 ILE 53 C 0.0131 0.0132 -0.0190 366 ILE 53 O 0.0142 0.0152 -0.0181 367 ILE 53 CB 0.0106 0.0099 -0.0197 368 ILE 53 CG1 0.0116 0.0082 -0.0225 369 ILE 53 CG2 0.0081 0.0084 -0.0186 370 ILE 53 CD1 0.0118 0.0068 -0.0242 371 ILE 53 H 0.0084 0.0078 -0.0195 372 ILE 53 HA 0.0096 0.0123 -0.0163 373 ILE 53 HB 0.0118 0.0113 -0.0196 374 ILE 53 HG12 0.0104 0.0069 -0.0226 375 ILE 53 HG13 0.0133 0.0093 -0.0232 376 ILE 53 HG21 0.0068 0.0071 -0.0185 377 ILE 53 HG22 0.0076 0.0097 -0.0167 378 ILE 53 HG23 0.0082 0.0075 -0.0197 379 ILE 53 HD11 0.0131 0.0081 -0.0242 380 ILE 53 HD12 0.0125 0.0056 -0.0260 381 ILE 53 HD13 0.0100 0.0057 -0.0235 382 ASP 54 N 0.0140 0.0126 -0.0219 383 ASP 54 CA 0.0159 0.0145 -0.0230 384 ASP 54 C 0.0159 0.0144 -0.0232 385 ASP 54 O 0.0148 0.0125 -0.0232 386 ASP 54 CB 0.0173 0.0140 -0.0255 387 ASP 54 CG 0.0193 0.0159 -0.0268 388 ASP 54 OD1 0.0202 0.0179 -0.0263 389 ASP 54 OD2 0.0200 0.0155 -0.0283 390 ASP 54 H 0.0132 0.0111 -0.0221 391 ASP 54 HA 0.0162 0.0163 -0.0219 392 ASP 54 HB2 0.0171 0.0139 -0.0254 393 ASP 54 HB3 0.0169 0.0122 -0.0267 394 SER 55 N 0.0160 0.0167 -0.0239 395 SER 55 CA 0.0157 0.0168 -0.0235 396 SER 55 C 0.0163 0.0148 -0.0250 397 SER 55 O 0.0156 0.0137 -0.0245 398 SER 55 CB 0.0164 0.0196 -0.0236 399 SER 55 OG 0.0162 0.0198 -0.0233 400 SER 55 H 0.0167 0.0182 -0.0244 401 SER 55 HA 0.0144 0.0164 -0.0219 402 SER 55 HB2 0.0158 0.0208 -0.0224 403 SER 55 HB3 0.0177 0.0202 -0.0251 404 SER 55 HG 0.0171 0.0194 -0.0246 405 THR 56 N 0.0178 0.0146 -0.0277 406 THR 56 CA 0.0188 0.0125 -0.0291 407 THR 56 C 0.0179 0.0094 -0.0280 408 THR 56 O 0.0177 0.0077 -0.0278 409 THR 56 CB 0.0207 0.0124 -0.0317 410 THR 56 OG1 0.0215 0.0154 -0.0326 411 THR 56 CG2 0.0218 0.0105 -0.0332 412 THR 56 H 0.0185 0.0156 -0.0285 413 THR 56 HA 0.0188 0.0131 -0.0290 414 THR 56 HB 0.0207 0.0115 -0.0317 415 THR 56 HG1 0.0211 0.0163 -0.0320 416 THR 56 HG21 0.0232 0.0105 -0.0350 417 THR 56 HG22 0.0218 0.0114 -0.0332 418 THR 56 HG23 0.0213 0.0082 -0.0326 419 ASN 57 N 0.0172 0.0091 -0.0271 420 ASN 57 CA 0.0162 0.0066 -0.0263 421 ASN 57 C 0.0149 0.0066 -0.0243 422 ASN 57 O 0.0143 0.0047 -0.0240 423 ASN 57 CB 0.0157 0.0060 -0.0258 424 ASN 57 CG 0.0167 0.0048 -0.0278 425 ASN 57 OD1 0.0165 0.0025 -0.0283 426 ASN 57 ND2 0.0177 0.0064 -0.0289 427 ASN 57 H 0.0173 0.0101 -0.0269 428 ASN 57 HA 0.0167 0.0052 -0.0276 429 ASN 57 HB2 0.0157 0.0077 -0.0251 430 ASN 57 HB3 0.0147 0.0047 -0.0245 431 ASN 57 HD21 0.0179 0.0082 -0.0285 432 ASN 57 HD22 0.0184 0.0056 -0.0302 433 LEU 58 N 0.0143 0.0085 -0.0232 434 LEU 58 CA 0.0128 0.0086 -0.0217 435 LEU 58 C 0.0128 0.0079 -0.0217 436 LEU 58 O 0.0120 0.0065 -0.0208 437 LEU 58 CB 0.0119 0.0108 -0.0210 438 LEU 58 CG 0.0104 0.0114 -0.0194 439 LEU 58 CD1 0.0106 0.0122 -0.0196 440 LEU 58 CD2 0.0093 0.0094 -0.0183 441 LEU 58 H 0.0148 0.0100 -0.0237 442 LEU 58 HA 0.0121 0.0073 -0.0210 443 LEU 58 HB2 0.0118 0.0110 -0.0208 444 LEU 58 HB3 0.0128 0.0121 -0.0218 445 LEU 58 HG 0.0098 0.0128 -0.0189 446 LEU 58 HD11 0.0094 0.0125 -0.0185 447 LEU 58 HD12 0.0111 0.0109 -0.0202 448 LEU 58 HD13 0.0113 0.0136 -0.0204 449 LEU 58 HD21 0.0098 0.0081 -0.0187 450 LEU 58 HD22 0.0082 0.0099 -0.0172 451 LEU 58 HD23 0.0091 0.0090 -0.0181 452 LYS 59 N 0.0129 0.0095 -0.0227 453 LYS 59 CA 0.0123 0.0088 -0.0217 454 LYS 59 C 0.0140 0.0058 -0.0213 455 LYS 59 O 0.0131 0.0044 -0.0195 456 LYS 59 CB 0.0123 0.0111 -0.0233 457 LYS 59 CG 0.0148 0.0113 -0.0258 458 LYS 59 CD 0.0146 0.0137 -0.0272 459 LYS 59 CE 0.0140 0.0132 -0.0262 460 LYS 59 NZ 0.0159 0.0106 -0.0264 461 LYS 59 H 0.0134 0.0111 -0.0243 462 LYS 59 HA 0.0104 0.0089 -0.0200 463 LYS 59 HB2 0.0118 0.0106 -0.0224 464 LYS 59 HB3 0.0111 0.0131 -0.0234 465 LYS 59 HG2 0.0154 0.0116 -0.0267 466 LYS 59 HG3 0.0161 0.0093 -0.0257 467 LYS 59 HD2 0.0132 0.0156 -0.0272 468 LYS 59 HD3 0.0164 0.0139 -0.0291 469 LYS 59 HE2 0.0122 0.0128 -0.0244 470 LYS 59 HE3 0.0137 0.0150 -0.0273 471 LYS 59 HZ1 0.0175 0.0109 -0.0282 472 LYS 59 HZ2 0.0153 0.0104 -0.0257 473 LYS 59 HZ3 0.0162 0.0087 -0.0255 474 THR 60 N 0.0153 0.0045 -0.0229 475 THR 60 CA 0.0170 0.0017 -0.0225 476 THR 60 C 0.0164 -0.0003 -0.0200 477 THR 60 O 0.0167 -0.0025 -0.0187 478 THR 60 CB 0.0195 0.0010 -0.0248 479 THR 60 OG1 0.0201 0.0029 -0.0271 480 THR 60 CG2 0.0213 -0.0019 -0.0245 481 THR 60 H 0.0159 0.0056 -0.0244 482 THR 60 HA 0.0169 0.0016 -0.0223 483 THR 60 HB 0.0195 0.0012 -0.0250 484 THR 60 HG1 0.0193 0.0047 -0.0276 485 THR 60 HG21 0.0230 -0.0023 -0.0261 486 THR 60 HG22 0.0213 -0.0021 -0.0242 487 THR 60 HG23 0.0209 -0.0034 -0.0228 488 HIS 61 N 0.0151 0.0011 -0.0193 489 HIS 61 CA 0.0141 -0.0001 -0.0177 490 HIS 61 C 0.0122 -0.0008 -0.0157 491 HIS 61 O 0.0119 -0.0025 -0.0141 492 HIS 61 CB 0.0133 0.0013 -0.0181 493 HIS 61 CG 0.0116 0.0007 -0.0163 494 HIS 61 ND1 0.0121 -0.0014 -0.0151 495 HIS 61 CD2 0.0092 0.0018 -0.0153 496 HIS 61 CE1 0.0102 -0.0015 -0.0136 497 HIS 61 NE2 0.0085 0.0004 -0.0137 498 HIS 61 H 0.0149 0.0028 -0.0204 499 HIS 61 HA 0.0156 -0.0017 -0.0175 500 HIS 61 HB2 0.0148 0.0011 -0.0190 501 HIS 61 HB3 0.0125 0.0032 -0.0189 502 HIS 61 HD1 0.0137 -0.0026 -0.0154 503 HIS 61 HD2 0.0082 0.0034 -0.0158 504 HIS 61 HE1 0.0098 -0.0028 -0.0123 505 PHE 62 N 0.0116 0.0006 -0.0149 506 PHE 62 CA 0.0095 0.0001 -0.0126 507 PHE 62 C 0.0104 -0.0015 -0.0115 508 PHE 62 O 0.0088 -0.0020 -0.0097 509 PHE 62 CB 0.0070 0.0023 -0.0128 510 PHE 62 CG 0.0061 0.0042 -0.0141 511 PHE 62 CD1 0.0057 0.0038 -0.0134 512 PHE 62 CD2 0.0057 0.0063 -0.0161 513 PHE 62 CE1 0.0049 0.0056 -0.0146 514 PHE 62 CE2 0.0049 0.0081 -0.0173 515 PHE 62 CZ 0.0045 0.0077 -0.0166 516 PHE 62 H 0.0117 0.0019 -0.0164 517 PHE 62 HA 0.0092 -0.0007 -0.0114 518 PHE 62 HB2 0.0071 0.0029 -0.0136 519 PHE 62 HB3 0.0056 0.0017 -0.0109 520 PHE 62 HD1 0.0060 0.0021 -0.0118 521 PHE 62 HD2 0.0060 0.0066 -0.0166 522 PHE 62 HE1 0.0046 0.0052 -0.0139 523 PHE 62 HE2 0.0045 0.0097 -0.0189 524 PHE 62 HZ 0.0039 0.0092 -0.0177 525 ARG 63 N 0.0128 -0.0030 -0.0107 526 ARG 63 CA 0.0139 -0.0049 -0.0094 527 ARG 63 C 0.0147 -0.0079 -0.0061 528 ARG 63 O 0.0158 -0.0098 -0.0047 529 ARG 63 CB 0.0167 -0.0052 -0.0123 530 ARG 63 CG 0.0158 -0.0023 -0.0153 531 ARG 63 CD 0.0187 -0.0028 -0.0181 532 ARG 63 NE 0.0201 -0.0050 -0.0167 533 ARG 63 CZ 0.0223 -0.0055 -0.0187 534 ARG 63 NH1 0.0233 -0.0038 -0.0222 535 ARG 63 NH2 0.0235 -0.0076 -0.0171 536 ARG 63 H 0.0143 -0.0028 -0.0129 537 ARG 63 HA 0.0117 -0.0037 -0.0086 538 ARG 63 HB2 0.0187 -0.0061 -0.0134 539 ARG 63 HB3 0.0176 -0.0068 -0.0111 540 ARG 63 HG2 0.0138 -0.0015 -0.0142 541 ARG 63 HG3 0.0148 -0.0008 -0.0164 542 ARG 63 HD2 0.0178 -0.0007 -0.0201 543 ARG 63 HD3 0.0206 -0.0036 -0.0193 544 ARG 63 HE 0.0194 -0.0062 -0.0141 545 ARG 63 HH11 0.0224 -0.0022 -0.0235 546 ARG 63 HH12 0.0249 -0.0041 -0.0237 547 ARG 63 HH21 0.0228 -0.0089 -0.0144 548 ARG 63 HH22 0.0252 -0.0081 -0.0184 549 SER 64 N 0.0138 -0.0071 -0.0058 550 SER 64 CA 0.0142 -0.0091 -0.0030 551 SER 64 C 0.0109 -0.0088 -0.0005 552 SER 64 O 0.0086 -0.0074 -0.0006 553 SER 64 CB 0.0149 -0.0092 -0.0035 554 SER 64 OG 0.0175 -0.0089 -0.0063 555 SER 64 H 0.0132 -0.0058 -0.0074 556 SER 64 HA 0.0161 -0.0107 -0.0023 557 SER 64 HB2 0.0128 -0.0078 -0.0037 558 SER 64 HB3 0.0157 -0.0109 -0.0015 559 SER 64 HG 0.0195 -0.0103 -0.0060 560 LYS 65 N 0.0112 -0.0097 0.0031 561 LYS 65 CA 0.0079 -0.0097 0.0056 562 LYS 65 C 0.0067 -0.0101 0.0073 563 LYS 65 O 0.0035 -0.0093 0.0081 564 LYS 65 CB 0.0079 -0.0111 0.0082 565 LYS 65 CG 0.0111 -0.0133 0.0101 566 LYS 65 CD 0.0114 -0.0147 0.0125 567 LYS 65 CE 0.0146 -0.0168 0.0143 568 LYS 65 NZ 0.0150 -0.0181 0.0165 569 LYS 65 H 0.0133 -0.0107 0.0034 570 LYS 65 HA 0.0058 -0.0081 0.0040 571 LYS 65 HB2 0.0055 -0.0111 0.0101 572 LYS 65 HB3 0.0078 -0.0103 0.0068 573 LYS 65 HG2 0.0109 -0.0140 0.0116 574 LYS 65 HG3 0.0136 -0.0133 0.0082 575 LYS 65 HD2 0.0116 -0.0140 0.0111 576 LYS 65 HD3 0.0090 -0.0147 0.0144 577 LYS 65 HE2 0.0143 -0.0175 0.0159 578 LYS 65 HE3 0.0170 -0.0168 0.0124 579 LYS 65 HZ1 0.0128 -0.0183 0.0184 580 LYS 65 HZ2 0.0155 -0.0176 0.0151 581 LYS 65 HZ3 0.0172 -0.0196 0.0177 582 ASP 66 N 0.0090 -0.0114 0.0075 583 ASP 66 CA 0.0083 -0.0121 0.0092 584 ASP 66 C 0.0065 -0.0103 0.0071 585 ASP 66 O 0.0044 -0.0101 0.0084 586 ASP 66 CB 0.0117 -0.0138 0.0101 587 ASP 66 CG 0.0110 -0.0148 0.0125 588 ASP 66 OD1 0.0106 -0.0162 0.0156 589 ASP 66 OD2 0.0110 -0.0142 0.0113 590 ASP 66 H 0.0115 -0.0119 0.0066 591 ASP 66 HA 0.0065 -0.0126 0.0115 592 ASP 66 HB2 0.0131 -0.0149 0.0112 593 ASP 66 HB3 0.0133 -0.0132 0.0078 594 HIS 67 N 0.0066 -0.0091 0.0033 595 HIS 67 CA 0.0051 -0.0071 0.0011 596 HIS 67 C 0.0015 -0.0057 0.0014 597 HIS 67 O -0.0007 -0.0051 0.0017 598 HIS 67 CB 0.0070 -0.0057 -0.0022 599 HIS 67 CG 0.0061 -0.0037 -0.0046 600 HIS 67 ND1 0.0050 -0.0036 -0.0041 601 HIS 67 CD2 0.0069 -0.0022 -0.0076 602 HIS 67 CE1 0.0055 -0.0021 -0.0068 603 HIS 67 NE2 0.0066 -0.0012 -0.0089 604 HIS 67 H 0.0084 -0.0094 0.0026 605 HIS 67 HA 0.0053 -0.0075 0.0016 606 HIS 67 HB2 0.0097 -0.0066 -0.0026 607 HIS 67 HB3 0.0068 -0.0052 -0.0028 608 HIS 67 HD1 0.0042 -0.0045 -0.0022 609 HIS 67 HD2 0.0073 -0.0018 -0.0085 610 HIS 67 HE1 0.0049 -0.0016 -0.0073 611 LYS 68 N 0.0017 -0.0049 0.0016 612 LYS 68 CA -0.0017 -0.0035 0.0015 613 LYS 68 C -0.0040 -0.0046 0.0048 614 LYS 68 O -0.0071 -0.0036 0.0051 615 LYS 68 CB -0.0017 -0.0030 0.0005 616 LYS 68 CG 0.0009 -0.0021 -0.0028 617 LYS 68 CD 0.0009 -0.0016 -0.0036 618 LYS 68 CE 0.0023 -0.0036 -0.0011 619 LYS 68 NZ 0.0026 -0.0031 -0.0020 620 LYS 68 H 0.0036 -0.0056 0.0015 621 LYS 68 HA -0.0027 -0.0021 -0.0002 622 LYS 68 HB2 -0.0008 -0.0044 0.0023 623 LYS 68 HB3 -0.0042 -0.0018 0.0002 624 LYS 68 HG2 0.0004 -0.0007 -0.0047 625 LYS 68 HG3 0.0035 -0.0032 -0.0025 626 LYS 68 HD2 -0.0017 -0.0005 -0.0038 627 LYS 68 HD3 0.0026 -0.0009 -0.0059 628 LYS 68 HE2 0.0048 -0.0047 -0.0009 629 LYS 68 HE3 0.0005 -0.0042 0.0012 630 LYS 68 HZ1 0.0002 -0.0021 -0.0023 631 LYS 68 HZ2 0.0036 -0.0045 -0.0003 632 LYS 68 HZ3 0.0043 -0.0025 -0.0042 633 LYS 69 N -0.0026 -0.0068 0.0073 634 LYS 69 CA -0.0039 -0.0080 0.0106 635 LYS 69 C -0.0049 -0.0077 0.0107 636 LYS 69 O -0.0077 -0.0074 0.0123 637 LYS 69 CB -0.0011 -0.0101 0.0126 638 LYS 69 CG -0.0013 -0.0117 0.0159 639 LYS 69 CD 0.0021 -0.0137 0.0172 640 LYS 69 CE 0.0024 -0.0155 0.0204 641 LYS 69 NZ 0.0059 -0.0173 0.0212 642 LYS 69 H -0.0003 -0.0075 0.0068 643 LYS 69 HA -0.0062 -0.0076 0.0116 644 LYS 69 HB2 -0.0009 -0.0104 0.0130 645 LYS 69 HB3 0.0014 -0.0103 0.0111 646 LYS 69 HG2 -0.0016 -0.0114 0.0154 647 LYS 69 HG3 -0.0035 -0.0117 0.0176 648 LYS 69 HD2 0.0022 -0.0139 0.0175 649 LYS 69 HD3 0.0042 -0.0135 0.0152 650 LYS 69 HE2 0.0022 -0.0152 0.0201 651 LYS 69 HE3 0.0005 -0.0157 0.0224 652 LYS 69 HZ1 0.0064 -0.0186 0.0234 653 LYS 69 HZ2 0.0079 -0.0170 0.0193 654 LYS 69 HZ3 0.0063 -0.0175 0.0214 655 ARG 70 N -0.0025 -0.0075 0.0088 656 ARG 70 CA -0.0032 -0.0072 0.0087 657 ARG 70 C -0.0061 -0.0051 0.0069 658 ARG 70 O -0.0081 -0.0047 0.0076 659 ARG 70 CB -0.0000 -0.0076 0.0072 660 ARG 70 CG -0.0004 -0.0075 0.0073 661 ARG 70 CD -0.0014 -0.0090 0.0108 662 ARG 70 NE -0.0019 -0.0089 0.0110 663 ARG 70 CZ -0.0040 -0.0093 0.0134 664 ARG 70 NH1 -0.0058 -0.0098 0.0158 665 ARG 70 NH2 -0.0043 -0.0092 0.0134 666 ARG 70 H -0.0004 -0.0077 0.0075 667 ARG 70 HA -0.0039 -0.0082 0.0112 668 ARG 70 HB2 0.0021 -0.0090 0.0082 669 ARG 70 HB3 0.0005 -0.0065 0.0047 670 ARG 70 HG2 0.0019 -0.0079 0.0062 671 ARG 70 HG3 -0.0024 -0.0061 0.0060 672 ARG 70 HD2 -0.0037 -0.0087 0.0119 673 ARG 70 HD3 0.0007 -0.0105 0.0121 674 ARG 70 HE -0.0006 -0.0085 0.0093 675 ARG 70 HH11 -0.0056 -0.0100 0.0159 676 ARG 70 HH12 -0.0074 -0.0101 0.0175 677 ARG 70 HH21 -0.0030 -0.0088 0.0116 678 ARG 70 HH22 -0.0059 -0.0095 0.0151 679 LEU 71 N -0.0061 -0.0039 0.0044 680 LEU 71 CA -0.0086 -0.0017 0.0024 681 LEU 71 C -0.0120 -0.0015 0.0043 682 LEU 71 O -0.0146 -0.0003 0.0039 683 LEU 71 CB -0.0077 -0.0005 -0.0003 684 LEU 71 CG -0.0043 -0.0005 -0.0024 685 LEU 71 CD1 -0.0038 0.0008 -0.0051 686 LEU 71 CD2 -0.0039 0.0000 -0.0037 687 LEU 71 H -0.0044 -0.0043 0.0040 688 LEU 71 HA -0.0087 -0.0011 0.0015 689 LEU 71 HB2 -0.0077 -0.0011 0.0007 690 LEU 71 HB3 -0.0097 0.0010 -0.0016 691 LEU 71 HG -0.0023 -0.0021 -0.0011 692 LEU 71 HD11 -0.0058 0.0024 -0.0064 693 LEU 71 HD12 -0.0040 0.0004 -0.0042 694 LEU 71 HD13 -0.0014 0.0008 -0.0066 695 LEU 71 HD21 -0.0040 -0.0010 -0.0018 696 LEU 71 HD22 -0.0059 0.0016 -0.0050 697 LEU 71 HD23 -0.0015 0.0000 -0.0053 698 LYS 72 N -0.0121 -0.0028 0.0066 699 LYS 72 CA -0.0153 -0.0028 0.0089 700 LYS 72 C -0.0164 -0.0034 0.0111 701 LYS 72 O -0.0195 -0.0026 0.0117 702 LYS 72 CB -0.0147 -0.0040 0.0110 703 LYS 72 CG -0.0179 -0.0040 0.0135 704 LYS 72 CD -0.0171 -0.0051 0.0153 705 LYS 72 CE -0.0203 -0.0052 0.0177 706 LYS 72 NZ -0.0197 -0.0062 0.0195 707 LYS 72 H -0.0099 -0.0036 0.0068 708 LYS 72 HA -0.0173 -0.0013 0.0074 709 LYS 72 HB2 -0.0139 -0.0035 0.0094 710 LYS 72 HB3 -0.0126 -0.0054 0.0125 711 LYS 72 HG2 -0.0186 -0.0046 0.0153 712 LYS 72 HG3 -0.0201 -0.0026 0.0121 713 LYS 72 HD2 -0.0164 -0.0045 0.0135 714 LYS 72 HD3 -0.0150 -0.0065 0.0168 715 LYS 72 HE2 -0.0210 -0.0058 0.0196 716 LYS 72 HE3 -0.0225 -0.0037 0.0163 717 LYS 72 HZ1 -0.0176 -0.0076 0.0209 718 LYS 72 HZ2 -0.0191 -0.0056 0.0177 719 LYS 72 HZ3 -0.0220 -0.0062 0.0211 720 GLN 73 N -0.0143 -0.0050 0.0124 721 GLN 73 CA -0.0150 -0.0058 0.0146 722 GLN 73 C -0.0163 -0.0044 0.0127 723 GLN 73 O -0.0187 -0.0041 0.0140 724 GLN 73 CB -0.0119 -0.0077 0.0160 725 GLN 73 CG -0.0106 -0.0093 0.0181 726 GLN 73 CD -0.0073 -0.0112 0.0194 727 GLN 73 OE1 -0.0052 -0.0112 0.0178 728 GLN 73 NE2 -0.0069 -0.0128 0.0222 729 GLN 73 H -0.0119 -0.0055 0.0118 730 GLN 73 HA -0.0171 -0.0060 0.0165 731 GLN 73 HB2 -0.0098 -0.0075 0.0141 732 GLN 73 HB3 -0.0125 -0.0083 0.0175 733 GLN 73 HG2 -0.0125 -0.0096 0.0201 734 GLN 73 HG3 -0.0100 -0.0087 0.0166 735 GLN 73 HE21 -0.0087 -0.0127 0.0232 736 GLN 73 HE22 -0.0048 -0.0140 0.0231 737 LEU 74 N -0.0146 -0.0036 0.0095 738 LEU 74 CA -0.0154 -0.0021 0.0075 739 LEU 74 C -0.0186 -0.0002 0.0060 740 LEU 74 O -0.0201 0.0011 0.0047 741 LEU 74 CB -0.0124 -0.0018 0.0050 742 LEU 74 CG -0.0126 -0.0005 0.0029 743 LEU 74 CD1 -0.0133 -0.0014 0.0048 744 LEU 74 CD2 -0.0094 -0.0003 0.0006 745 LEU 74 H -0.0127 -0.0038 0.0087 746 LEU 74 HA -0.0160 -0.0028 0.0089 747 LEU 74 HB2 -0.0102 -0.0032 0.0061 748 LEU 74 HB3 -0.0120 -0.0011 0.0036 749 LEU 74 HG -0.0147 0.0009 0.0016 750 LEU 74 HD11 -0.0135 -0.0004 0.0033 751 LEU 74 HD12 -0.0113 -0.0028 0.0062 752 LEU 74 HD13 -0.0157 -0.0014 0.0064 753 LEU 74 HD21 -0.0072 -0.0018 0.0018 754 LEU 74 HD22 -0.0096 0.0006 -0.0009 755 LEU 74 HD23 -0.0089 0.0003 -0.0009 756 SER 75 N -0.0194 0.0001 0.0062 757 SER 75 CA -0.0225 0.0018 0.0049 758 SER 75 C -0.0218 0.0036 0.0012 759 SER 75 O -0.0241 0.0053 -0.0005 760 SER 75 CB -0.0258 0.0023 0.0061 761 SER 75 OG -0.0288 0.0039 0.0051 762 SER 75 H -0.0181 -0.0009 0.0072 763 SER 75 HA -0.0230 0.0015 0.0059 764 SER 75 HB2 -0.0262 0.0011 0.0087 765 SER 75 HB3 -0.0253 0.0026 0.0052 766 SER 75 HG -0.0307 0.0036 0.0069 767 VAL 76 N -0.0176 0.0027 -0.0000 768 VAL 76 CA -0.0164 0.0044 -0.0032 769 VAL 76 C -0.0176 0.0054 -0.0043 770 VAL 76 O -0.0194 0.0073 -0.0063 771 VAL 76 CB -0.0125 0.0036 -0.0040 772 VAL 76 CG1 -0.0112 0.0053 -0.0074 773 VAL 76 CG2 -0.0112 0.0025 -0.0030 774 VAL 76 H -0.0160 0.0013 0.0014 775 VAL 76 HA -0.0175 0.0055 -0.0044 776 VAL 76 HB -0.0115 0.0024 -0.0028 777 VAL 76 HG11 -0.0085 0.0047 -0.0079 778 VAL 76 HG12 -0.0123 0.0065 -0.0086 779 VAL 76 HG13 -0.0120 0.0060 -0.0081 780 VAL 76 HG21 -0.0085 0.0019 -0.0035 781 VAL 76 HG22 -0.0120 0.0012 -0.0006 782 VAL 76 HG23 -0.0123 0.0036 -0.0042 783 GLU 77 N -0.0181 0.0050 -0.0036 784 GLU 77 CA -0.0191 0.0058 -0.0044 785 GLU 77 C -0.0198 0.0041 -0.0014 786 GLU 77 O -0.0173 0.0026 -0.0003 787 GLU 77 CB -0.0164 0.0066 -0.0071 788 GLU 77 CG -0.0125 0.0050 -0.0066 789 GLU 77 CD -0.0101 0.0059 -0.0092 790 GLU 77 OE1 -0.0093 0.0072 -0.0118 791 GLU 77 OE2 -0.0089 0.0051 -0.0087 792 GLU 77 H -0.0165 0.0035 -0.0020 793 GLU 77 HA -0.0216 0.0072 -0.0052 794 GLU 77 HB2 -0.0172 0.0069 -0.0072 795 GLU 77 HB3 -0.0166 0.0081 -0.0093 796 GLU 77 HG2 -0.0117 0.0047 -0.0065 797 GLU 77 HG3 -0.0124 0.0036 -0.0043 798 PRO 78 N -0.0236 0.0044 0.0002 799 PRO 78 CA -0.0248 0.0035 0.0029 800 PRO 78 C -0.0245 0.0041 0.0016 801 PRO 78 O -0.0260 0.0058 -0.0009 802 PRO 78 CB -0.0286 0.0043 0.0041 803 PRO 78 CG -0.0290 0.0051 0.0027 804 PRO 78 CD -0.0265 0.0058 -0.0005 805 PRO 78 HA -0.0232 0.0019 0.0049 806 PRO 78 HB2 -0.0303 0.0054 0.0032 807 PRO 78 HB3 -0.0291 0.0031 0.0069 808 PRO 78 HG2 -0.0317 0.0063 0.0023 809 PRO 78 HG3 -0.0283 0.0040 0.0045 810 PRO 78 HD2 -0.0277 0.0073 -0.0025 811 PRO 78 HD3 -0.0256 0.0057 -0.0010 812 TYR 79 N -0.0227 0.0026 0.0028 813 TYR 79 CA -0.0222 0.0028 0.0018 814 TYR 79 C -0.0196 0.0034 -0.0016 815 TYR 79 O -0.0207 0.0050 -0.0046 816 TYR 79 CB -0.0258 0.0040 0.0015 817 TYR 79 CG -0.0282 0.0033 0.0050 818 TYR 79 CD1 -0.0307 0.0037 0.0060 819 TYR 79 CD2 -0.0279 0.0023 0.0073 820 TYR 79 CE1 -0.0329 0.0030 0.0092 821 TYR 79 CE2 -0.0300 0.0016 0.0105 822 TYR 79 CZ -0.0325 0.0020 0.0115 823 TYR 79 OH -0.0346 0.0013 0.0147 824 TYR 79 H -0.0217 0.0014 0.0049 825 TYR 79 HA -0.0208 0.0015 0.0038 826 TYR 79 HB2 -0.0274 0.0053 -0.0004 827 TYR 79 HB3 -0.0252 0.0042 0.0006 828 TYR 79 HD1 -0.0310 0.0045 0.0043 829 TYR 79 HD2 -0.0259 0.0020 0.0065 830 TYR 79 HE1 -0.0348 0.0033 0.0100 831 TYR 79 HE2 -0.0297 0.0008 0.0122 832 TYR 79 HH -0.0330 0.0001 0.0164 833 SER 80 N -0.0158 0.0025 -0.0015 834 SER 80 CA -0.0130 0.0029 -0.0042 835 SER 80 C -0.0115 0.0027 -0.0048 836 SER 80 O -0.0132 0.0026 -0.0035 837 SER 80 CB -0.0100 0.0015 -0.0032 838 SER 80 OG -0.0072 0.0019 -0.0058 839 SER 80 H -0.0152 0.0012 0.0008 840 SER 80 HA -0.0139 0.0042 -0.0065 841 SER 80 HB2 -0.0112 0.0016 -0.0025 842 SER 80 HB3 -0.0090 0.0002 -0.0009 843 SER 80 HG -0.0081 0.0029 -0.0073 844 GLN 81 N -0.0086 0.0030 -0.0074 845 GLN 81 CA -0.0062 0.0029 -0.0081 846 GLN 81 C -0.0046 0.0004 -0.0042 847 GLN 81 O -0.0038 -0.0011 -0.0017 848 GLN 81 CB -0.0023 0.0037 -0.0112 849 GLN 81 CG -0.0001 0.0039 -0.0125 850 GLN 81 CD 0.0039 0.0046 -0.0153 851 GLN 81 OE1 0.0064 0.0040 -0.0151 852 GLN 81 NE2 0.0047 0.0058 -0.0178 853 GLN 81 H -0.0073 0.0033 -0.0084 854 GLN 81 HA -0.0084 0.0039 -0.0091 855 GLN 81 HB2 -0.0034 0.0053 -0.0138 856 GLN 81 HB3 0.0001 0.0026 -0.0100 857 GLN 81 HG2 0.0007 0.0024 -0.0098 858 GLN 81 HG3 -0.0025 0.0052 -0.0138 859 GLN 81 HE21 0.0026 0.0062 -0.0177 860 GLN 81 HE22 0.0074 0.0062 -0.0196 861 GLU 82 N -0.0060 0.0011 -0.0034 862 GLU 82 CA -0.0053 0.0001 -0.0004 863 GLU 82 C -0.0083 0.0003 0.0024 864 GLU 82 O -0.0084 -0.0004 0.0050 865 GLU 82 CB -0.0017 -0.0013 0.0009 866 GLU 82 CG -0.0007 -0.0023 0.0039 867 GLU 82 CD 0.0028 -0.0037 0.0048 868 GLU 82 OE1 0.0033 -0.0043 0.0066 869 GLU 82 OE2 0.0052 -0.0041 0.0039 870 GLU 82 H -0.0069 0.0019 -0.0054 871 GLU 82 HA -0.0054 0.0004 -0.0015 872 GLU 82 HB2 0.0002 -0.0013 -0.0012 873 GLU 82 HB3 -0.0017 -0.0015 0.0017 874 GLU 82 HG2 -0.0025 -0.0024 0.0061 875 GLU 82 HG3 -0.0008 -0.0021 0.0031 876 GLU 83 N -0.0116 0.0002 0.0015 877 GLU 83 CA -0.0152 -0.0000 0.0038 878 GLU 83 C -0.0188 0.0013 0.0016 879 GLU 83 O -0.0210 0.0013 0.0027 880 GLU 83 CB -0.0154 -0.0005 0.0053 881 GLU 83 CG -0.0190 -0.0007 0.0078 882 GLU 83 CD -0.0188 -0.0013 0.0095 883 GLU 83 OE1 -0.0194 -0.0005 0.0075 884 GLU 83 OE2 -0.0180 -0.0025 0.0129 885 GLU 83 H -0.0114 0.0010 -0.0011 886 GLU 83 HA -0.0150 -0.0008 0.0062 887 GLU 83 HB2 -0.0128 -0.0014 0.0069 888 GLU 83 HB3 -0.0153 0.0003 0.0029 889 GLU 83 HG2 -0.0216 0.0003 0.0061 890 GLU 83 HG3 -0.0193 -0.0014 0.0101 891 ALA 84 N -0.0201 0.0021 -0.0009 892 ALA 84 CA -0.0237 0.0033 -0.0035 893 ALA 84 C -0.0227 0.0037 -0.0072 894 ALA 84 O -0.0247 0.0047 -0.0103 895 ALA 84 CB -0.0251 0.0038 -0.0048 896 ALA 84 H -0.0180 0.0019 -0.0017 897 ALA 84 HA -0.0260 0.0034 -0.0017 898 ALA 84 HB1 -0.0276 0.0046 -0.0067 899 ALA 84 HB2 -0.0226 0.0036 -0.0064 900 ALA 84 HB3 -0.0260 0.0035 -0.0021 901 GLU 85 N -0.0196 0.0021 -0.0066 902 GLU 85 CA -0.0177 0.0026 -0.0087 903 GLU 85 C -0.0145 0.0020 -0.0057 904 GLU 85 O -0.0109 0.0020 -0.0053 905 GLU 85 CB -0.0157 0.0036 -0.0128 906 GLU 85 CG -0.0143 0.0043 -0.0158 907 GLU 85 CD -0.0104 0.0041 -0.0145 908 GLU 85 OE1 -0.0067 0.0044 -0.0154 909 GLU 85 OE2 -0.0109 0.0037 -0.0126 910 GLU 85 H -0.0183 0.0015 -0.0039 911 GLU 85 HA -0.0202 0.0027 -0.0094 912 GLU 85 HB2 -0.0179 0.0039 -0.0143 913 GLU 85 HB3 -0.0128 0.0035 -0.0119 914 GLU 85 HG2 -0.0171 0.0042 -0.0155 915 GLU 85 HG3 -0.0141 0.0051 -0.0189 916 ARG 86 N -0.0157 -0.0001 -0.0046 917 ARG 86 CA -0.0134 0.0008 -0.0004 918 ARG 86 C -0.0141 0.0007 0.0005 919 ARG 86 O -0.0177 -0.0003 -0.0007 920 ARG 86 CB -0.0148 0.0008 0.0041 921 ARG 86 CG -0.0200 -0.0005 0.0047 922 ARG 86 CD -0.0231 -0.0013 0.0056 923 ARG 86 NE -0.0280 -0.0026 0.0057 924 ARG 86 CZ -0.0317 -0.0036 0.0055 925 ARG 86 NH1 -0.0311 -0.0034 0.0054 926 ARG 86 NH2 -0.0359 -0.0047 0.0055 927 ARG 86 H -0.0190 -0.0010 -0.0050 928 ARG 86 HA -0.0098 0.0017 -0.0010 929 ARG 86 HB2 -0.0137 0.0014 0.0073 930 ARG 86 HB3 -0.0128 0.0013 0.0039 931 ARG 86 HG2 -0.0203 -0.0004 0.0078 932 ARG 86 HG3 -0.0210 -0.0011 0.0015 933 ARG 86 HD2 -0.0226 -0.0014 0.0028 934 ARG 86 HD3 -0.0223 -0.0008 0.0090 935 ARG 86 HE -0.0285 -0.0027 0.0059 936 ARG 86 HH11 -0.0280 -0.0026 0.0055 937 ARG 86 HH12 -0.0338 -0.0042 0.0053 938 ARG 86 HH21 -0.0365 -0.0049 0.0055 939 ARG 86 HH22 -0.0388 -0.0055 0.0053 940 ALA 87 N -0.0100 0.0006 0.0008 941 ALA 87 CA -0.0105 0.0007 0.0016 942 ALA 87 C -0.0121 0.0016 0.0086 943 ALA 87 O -0.0098 0.0023 0.0115 944 ALA 87 CB -0.0041 0.0012 -0.0002 945 ALA 87 H -0.0061 0.0014 0.0023 946 ALA 87 HA -0.0142 -0.0002 -0.0014 947 ALA 87 HB1 -0.0004 0.0021 0.0027 948 ALA 87 HB2 -0.0030 0.0006 -0.0052 949 ALA 87 HB3 -0.0044 0.0013 0.0005 950 ALA 88 N -0.0171 0.0017 0.0107 951 ALA 88 CA -0.0186 0.0025 0.0157 952 ALA 88 C -0.0241 0.0016 0.0162 953 ALA 88 O -0.0263 0.0013 0.0165 954 ALA 88 CB -0.0161 0.0035 0.0182 955 ALA 88 H -0.0186 0.0010 0.0084 956 ALA 88 HA -0.0174 0.0031 0.0174 957 ALA 88 HB1 -0.0173 0.0030 0.0166 958 ALA 88 HB2 -0.0122 0.0042 0.0178 959 ALA 88 HB3 -0.0173 0.0042 0.0221 960 GLY 89 N -0.0301 0.0022 0.0150 961 GLY 89 CA -0.0345 0.0006 0.0158 962 GLY 89 C -0.0389 0.0003 0.0178 963 GLY 89 O -0.0394 0.0035 0.0207 964 GLY 89 H -0.0301 0.0023 0.0150 965 GLY 89 HA2 -0.0345 0.0026 0.0175 966 GLY 89 HA3 -0.0347 -0.0025 0.0133 967 MET 90 N -0.0434 -0.0050 0.0192 968 MET 90 CA -0.0461 -0.0058 0.0221 969 MET 90 C -0.0450 -0.0041 0.0188 970 MET 90 O -0.0481 -0.0009 0.0158 971 MET 90 CB -0.0525 -0.0046 0.0243 972 MET 90 CG -0.0556 -0.0060 0.0283 973 MET 90 SD -0.0558 -0.0044 0.0260 974 MET 90 CE -0.0600 -0.0063 0.0315 975 MET 90 H -0.0404 -0.0070 0.0205 976 MET 90 HA -0.0439 -0.0087 0.0252 977 MET 90 HB2 -0.0530 -0.0056 0.0261 978 MET 90 HB3 -0.0547 -0.0017 0.0211 979 MET 90 HG2 -0.0534 -0.0089 0.0315 980 MET 90 HG3 -0.0599 -0.0052 0.0297 981 MET 90 HE1 -0.0579 -0.0092 0.0347 982 MET 90 HE2 -0.0605 -0.0055 0.0307 983 MET 90 HE3 -0.0641 -0.0052 0.0324 984 GLY 91 N -0.0478 -0.0080 0.0233 985 GLY 91 CA -0.0448 -0.0100 0.0210 986 GLY 91 C -0.0406 -0.0081 0.0215 987 GLY 91 O -0.0385 -0.0072 0.0218 988 GLY 91 H -0.0479 -0.0058 0.0250 989 GLY 91 HA2 -0.0452 -0.0122 0.0193 990 GLY 91 HA3 -0.0453 -0.0106 0.0206 991 SER 92 N -0.0377 -0.0072 0.0203 992 SER 92 CA -0.0316 -0.0053 0.0228 993 SER 92 C -0.0299 -0.0073 0.0168 994 SER 92 O -0.0353 -0.0089 0.0150 995 SER 92 CB -0.0345 -0.0027 0.0305 996 SER 92 OG -0.0361 -0.0009 0.0360 997 SER 92 H -0.0432 -0.0083 0.0196 998 SER 92 HA -0.0261 -0.0042 0.0235 999 SER 92 HB2 -0.0400 -0.0038 0.0299 1000 SER 92 HB3 -0.0298 -0.0012 0.0326 1001 SER 92 HG -0.0361 -0.0020 0.0330 1002 TYR 93 N -0.0183 -0.0079 0.0122 1003 TYR 93 CA -0.0117 -0.0119 0.0033 1004 TYR 93 C -0.0006 -0.0057 0.0069 1005 TYR 93 O 0.0027 0.0011 0.0149 1006 TYR 93 CB -0.0077 -0.0170 -0.0059 1007 TYR 93 CG -0.0022 -0.0225 -0.0163 1008 TYR 93 CD1 -0.0095 -0.0299 -0.0233 1009 TYR 93 CD2 0.0103 -0.0204 -0.0192 1010 TYR 93 CE1 -0.0047 -0.0350 -0.0328 1011 TYR 93 CE2 0.0152 -0.0254 -0.0287 1012 TYR 93 CZ 0.0077 -0.0327 -0.0354 1013 TYR 93 OH 0.0126 -0.0377 -0.0449 1014 TYR 93 H -0.0143 -0.0048 0.0146 1015 TYR 93 HA -0.0175 -0.0155 0.0010 1016 TYR 93 HB2 -0.0155 -0.0205 -0.0071 1017 TYR 93 HB3 -0.0010 -0.0133 -0.0037 1018 TYR 93 HD1 -0.0193 -0.0317 -0.0211 1019 TYR 93 HD2 0.0162 -0.0146 -0.0139 1020 TYR 93 HE1 -0.0106 -0.0407 -0.0381 1021 TYR 93 HE2 0.0249 -0.0237 -0.0308 1022 TYR 93 HH 0.0180 -0.0348 -0.0434 1023 VAL 94 N 0.0047 -0.0082 0.0012 1024 VAL 94 CA 0.0157 -0.0027 0.0038 1025 VAL 94 C 0.0267 0.0004 0.0030 1026 VAL 94 O 0.0318 -0.0041 -0.0060 1027 VAL 94 CB 0.0193 -0.0061 -0.0028 1028 VAL 94 CG1 0.0216 -0.0137 -0.0149 1029 VAL 94 CG2 0.0305 -0.0000 0.0006 1030 VAL 94 H 0.0012 -0.0136 -0.0049 1031 VAL 94 HA 0.0132 0.0022 0.0122 1032 VAL 94 HB 0.0116 -0.0074 -0.0010 1033 VAL 94 HG11 0.0240 -0.0158 -0.0190 1034 VAL 94 HG12 0.0291 -0.0127 -0.0170 1035 VAL 94 HG13 0.0133 -0.0181 -0.0171 1036 VAL 94 HG21 0.0383 0.0016 -0.0008 1037 VAL 94 HG22 0.0328 -0.0025 -0.0041 1038 VAL 94 HG23 0.0283 0.0051 0.0090