1 ASP 28 N -0.2209 -0.0319 -0.0640 2 ASP 28 CA -0.0815 0.0180 -0.0261 3 ASP 28 C -0.0185 -0.0126 0.0088 4 ASP 28 O -0.0403 -0.1264 0.0382 5 ASP 28 CB -0.0139 -0.0459 0.0217 6 ASP 28 CG 0.1304 0.0017 0.0623 7 ASP 28 OD1 0.1650 0.1212 0.0360 8 ASP 28 OD2 0.2105 -0.0803 0.1210 9 ASP 28 H -0.2666 -0.0140 -0.0879 10 ASP 28 HA -0.0737 0.1250 -0.0587 11 ASP 28 HB2 -0.0599 -0.0226 -0.0041 12 ASP 28 HB3 -0.0252 -0.1532 0.0531 13 PRO 29 N 0.0564 0.0035 -0.0096 14 PRO 29 CA 0.0335 0.0043 -0.0147 15 PRO 29 C 0.0059 0.0326 -0.0252 16 PRO 29 O -0.0114 0.0352 -0.0294 17 PRO 29 CB 0.0153 -0.0327 -0.0127 18 PRO 29 CG 0.0368 -0.0554 -0.0044 19 PRO 29 CD 0.0536 -0.0311 -0.0046 20 PRO 29 HA 0.0486 0.0087 -0.0121 21 PRO 29 HB2 -0.0114 -0.0302 -0.0189 22 PRO 29 HB3 0.0144 -0.0424 -0.0113 23 PRO 29 HG2 0.0200 -0.0754 -0.0048 24 PRO 29 HG3 0.0568 -0.0680 0.0020 25 PRO 29 HD2 0.0371 -0.0297 -0.0084 26 PRO 29 HD3 0.0793 -0.0405 0.0025 27 ASN 30 N -0.0012 0.0135 0.0157 28 ASN 30 CA -0.0059 0.0185 0.0173 29 ASN 30 C 0.0059 0.0109 0.0367 30 ASN 30 O 0.0180 -0.0021 0.0320 31 ASN 30 CB -0.0069 0.0144 -0.0069 32 ASN 30 CG -0.0114 0.0187 -0.0073 33 ASN 30 OD1 -0.0263 0.0327 -0.0108 34 ASN 30 ND2 0.0013 0.0067 -0.0046 35 ASN 30 H -0.0102 0.0224 0.0158 36 ASN 30 HA -0.0185 0.0320 0.0223 37 ASN 30 HB2 -0.0166 0.0214 -0.0189 38 ASN 30 HB3 0.0055 0.0010 -0.0120 39 ASN 30 HD21 0.0131 -0.0044 -0.0024 40 ASN 30 HD22 -0.0013 0.0093 -0.0046 41 ALA 31 N 0.0001 0.0094 0.0260 42 ALA 31 CA 0.0006 0.0023 0.0312 43 ALA 31 C 0.0001 0.0118 0.0415 44 ALA 31 O 0.0002 0.0120 0.0545 45 ALA 31 CB 0.0017 -0.0120 0.0384 46 ALA 31 H -0.0005 0.0182 0.0309 47 ALA 31 HA 0.0007 0.0001 0.0220 48 ALA 31 HB1 0.0021 -0.0173 0.0417 49 ALA 31 HB2 0.0016 -0.0100 0.0477 50 ALA 31 HB3 0.0021 -0.0188 0.0310 51 GLU 32 N -0.0016 0.0841 0.0102 52 GLU 32 CA -0.0203 0.0416 -0.0075 53 GLU 32 C -0.0325 0.0257 -0.0180 54 GLU 32 O -0.0557 -0.0036 -0.0377 55 GLU 32 CB 0.0058 0.0049 0.0080 56 GLU 32 CG 0.0417 -0.0076 0.0330 57 GLU 32 CD 0.0655 -0.0454 0.0468 58 GLU 32 OE1 0.0599 -0.0869 0.0387 59 GLU 32 OE2 0.0897 -0.0348 0.0655 60 GLU 32 H 0.0259 0.0815 0.0300 61 GLU 32 HA -0.0440 0.0494 -0.0241 62 GLU 32 HB2 -0.0094 -0.0259 -0.0060 63 GLU 32 HB3 0.0135 0.0178 0.0148 64 GLU 32 HG2 0.0579 0.0226 0.0478 65 GLU 32 HG3 0.0342 -0.0192 0.0265 66 PHE 33 N -0.0106 0.0244 -0.0096 67 PHE 33 CA -0.0133 0.0229 -0.0122 68 PHE 33 C -0.0185 0.0271 -0.0123 69 PHE 33 O -0.0193 0.0314 -0.0099 70 PHE 33 CB -0.0096 0.0220 -0.0107 71 PHE 33 CG -0.0074 0.0265 -0.0063 72 PHE 33 CD1 -0.0104 0.0306 -0.0052 73 PHE 33 CD2 -0.0024 0.0265 -0.0033 74 PHE 33 CE1 -0.0084 0.0346 -0.0012 75 PHE 33 CE2 -0.0005 0.0306 0.0006 76 PHE 33 CZ -0.0034 0.0346 0.0017 77 PHE 33 H -0.0086 0.0269 -0.0067 78 PHE 33 HA -0.0142 0.0194 -0.0152 79 PHE 33 HB2 -0.0119 0.0214 -0.0124 80 PHE 33 HB3 -0.0063 0.0187 -0.0110 81 PHE 33 HD1 -0.0143 0.0306 -0.0075 82 PHE 33 HD2 -0.0001 0.0233 -0.0042 83 PHE 33 HE1 -0.0108 0.0378 -0.0004 84 PHE 33 HE2 0.0034 0.0305 0.0029 85 PHE 33 HZ -0.0019 0.0378 0.0048 86 ASP 34 N -0.0222 0.0318 -0.0212 87 ASP 34 CA -0.0193 0.0307 -0.0216 88 ASP 34 C -0.0135 0.0286 -0.0227 89 ASP 34 O -0.0119 0.0265 -0.0204 90 ASP 34 CB -0.0208 0.0286 -0.0168 91 ASP 34 CG -0.0183 0.0277 -0.0173 92 ASP 34 OD1 -0.0136 0.0254 -0.0172 93 ASP 34 OD2 -0.0210 0.0292 -0.0177 94 ASP 34 H -0.0226 0.0302 -0.0181 95 ASP 34 HA -0.0201 0.0329 -0.0246 96 ASP 34 HB2 -0.0249 0.0299 -0.0158 97 ASP 34 HB3 -0.0195 0.0262 -0.0139 98 PRO 35 N -0.0081 0.0064 -0.0161 99 PRO 35 CA -0.0136 -0.0066 -0.0280 100 PRO 35 C -0.0101 -0.0175 -0.0219 101 PRO 35 O -0.0142 -0.0293 -0.0309 102 PRO 35 CB -0.0149 -0.0193 -0.0315 103 PRO 35 CG -0.0068 -0.0203 -0.0154 104 PRO 35 CD -0.0035 -0.0015 -0.0075 105 PRO 35 HA -0.0194 0.0002 -0.0391 106 PRO 35 HB2 -0.0164 -0.0325 -0.0355 107 PRO 35 HB3 -0.0197 -0.0135 -0.0408 108 PRO 35 HG2 -0.0027 -0.0305 -0.0079 109 PRO 35 HG3 -0.0077 -0.0235 -0.0173 110 PRO 35 HD2 0.0030 -0.0026 0.0055 111 PRO 35 HD3 -0.0048 0.0066 -0.0095 112 ASP 36 N 0.0008 -0.0087 -0.0418 113 ASP 36 CA 0.0235 -0.0080 -0.0274 114 ASP 36 C 0.0184 0.0088 -0.0052 115 ASP 36 O 0.0297 0.0118 0.0059 116 ASP 36 CB 0.0436 -0.0141 -0.0248 117 ASP 36 CG 0.0673 -0.0130 -0.0093 118 ASP 36 OD1 0.0808 -0.0225 -0.0155 119 ASP 36 OD2 0.0727 -0.0026 0.0096 120 ASP 36 H -0.0051 -0.0051 -0.0399 121 ASP 36 HA 0.0297 -0.0153 -0.0348 122 ASP 36 HB2 0.0475 -0.0264 -0.0409 123 ASP 36 HB3 0.0368 -0.0074 -0.0188 124 LEU 37 N -0.0018 -0.0030 0.0041 125 LEU 37 CA -0.0034 -0.0022 0.0097 126 LEU 37 C -0.0043 -0.0010 0.0067 127 LEU 37 O -0.0068 0.0019 0.0014 128 LEU 37 CB -0.0084 0.0018 0.0142 129 LEU 37 CG -0.0077 0.0005 0.0195 130 LEU 37 CD1 -0.0038 -0.0037 0.0247 131 LEU 37 CD2 -0.0062 -0.0004 0.0157 132 LEU 37 H -0.0044 -0.0003 0.0016 133 LEU 37 HA -0.0002 -0.0055 0.0130 134 LEU 37 HB2 -0.0112 0.0048 0.0106 135 LEU 37 HB3 -0.0100 0.0029 0.0172 136 LEU 37 HG -0.0115 0.0036 0.0225 137 LEU 37 HD11 -0.0034 -0.0045 0.0284 138 LEU 37 HD12 0.0001 -0.0069 0.0220 139 LEU 37 HD13 -0.0051 -0.0029 0.0277 140 LEU 37 HD21 -0.0057 -0.0013 0.0196 141 LEU 37 HD22 -0.0092 0.0027 0.0123 142 LEU 37 HD23 -0.0025 -0.0034 0.0125 143 PRO 38 N -0.0068 0.0020 0.0138 144 PRO 38 CA -0.0101 0.0033 0.0150 145 PRO 38 C -0.0126 0.0035 0.0153 146 PRO 38 O -0.0116 0.0046 0.0160 147 PRO 38 CB -0.0089 0.0063 0.0170 148 PRO 38 CG -0.0050 0.0061 0.0166 149 PRO 38 CD -0.0037 0.0039 0.0150 150 PRO 38 HA -0.0114 0.0021 0.0142 151 PRO 38 HB2 -0.0093 0.0079 0.0181 152 PRO 38 HB3 -0.0104 0.0069 0.0175 153 PRO 38 HG2 -0.0037 0.0082 0.0179 154 PRO 38 HG3 -0.0047 0.0053 0.0160 155 PRO 38 HD2 -0.0027 0.0050 0.0156 156 PRO 38 HD3 -0.0016 0.0027 0.0140 157 GLY 39 N -0.0120 0.0064 0.0146 158 GLY 39 CA -0.0117 0.0039 0.0150 159 GLY 39 C -0.0114 0.0022 0.0138 160 GLY 39 O -0.0111 0.0002 0.0132 161 GLY 39 H -0.0122 0.0072 0.0159 162 GLY 39 HA2 -0.0120 0.0034 0.0169 163 GLY 39 HA3 -0.0116 0.0036 0.0142 164 GLY 40 N -0.0134 0.0045 0.0036 165 GLY 40 CA -0.0157 0.0048 -0.0000 166 GLY 40 C -0.0183 0.0036 -0.0019 167 GLY 40 O -0.0206 0.0034 -0.0049 168 GLY 40 H -0.0111 0.0065 0.0040 169 GLY 40 HA2 -0.0144 0.0073 -0.0018 170 GLY 40 HA3 -0.0170 0.0034 0.0004 171 GLY 41 N -0.0126 -0.0037 0.0080 172 GLY 41 CA -0.0128 -0.0044 0.0052 173 GLY 41 C -0.0132 -0.0076 0.0052 174 GLY 41 O -0.0134 -0.0088 0.0029 175 GLY 41 H -0.0124 -0.0024 0.0095 176 GLY 41 HA2 -0.0126 -0.0029 0.0051 177 GLY 41 HA3 -0.0128 -0.0040 0.0033 178 LEU 42 N -0.0089 -0.0070 -0.0072 179 LEU 42 CA -0.0147 -0.0216 -0.0048 180 LEU 42 C -0.0166 -0.0200 0.0044 181 LEU 42 O -0.0208 -0.0312 0.0056 182 LEU 42 CB -0.0203 -0.0307 0.0043 183 LEU 42 CG -0.0194 -0.0337 -0.0032 184 LEU 42 CD1 -0.0253 -0.0425 0.0073 185 LEU 42 CD2 -0.0181 -0.0422 -0.0195 186 LEU 42 H -0.0095 -0.0025 0.0012 187 LEU 42 HA -0.0140 -0.0279 -0.0160 188 LEU 42 HB2 -0.0211 -0.0245 0.0157 189 LEU 42 HB3 -0.0246 -0.0415 0.0060 190 LEU 42 HG -0.0152 -0.0228 -0.0045 191 LEU 42 HD11 -0.0246 -0.0446 0.0018 192 LEU 42 HD12 -0.0296 -0.0533 0.0093 193 LEU 42 HD13 -0.0259 -0.0358 0.0185 194 LEU 42 HD21 -0.0222 -0.0530 -0.0185 195 LEU 42 HD22 -0.0175 -0.0443 -0.0243 196 LEU 42 HD23 -0.0137 -0.0354 -0.0271 197 HIS 43 N -0.0109 0.0020 0.0096 198 HIS 43 CA -0.0116 0.0047 0.0097 199 HIS 43 C -0.0095 0.0037 0.0123 200 HIS 43 O -0.0091 0.0009 0.0118 201 HIS 43 CB -0.0138 0.0043 0.0063 202 HIS 43 CG -0.0160 0.0047 0.0034 203 HIS 43 ND1 -0.0176 0.0083 0.0025 204 HIS 43 CD2 -0.0169 0.0019 0.0010 205 HIS 43 CE1 -0.0194 0.0077 -0.0003 206 HIS 43 NE2 -0.0190 0.0039 -0.0012 207 HIS 43 H -0.0103 -0.0008 0.0093 208 HIS 43 HA -0.0119 0.0077 0.0104 209 HIS 43 HB2 -0.0134 0.0015 0.0059 210 HIS 43 HB3 -0.0143 0.0066 0.0066 211 HIS 43 HD1 -0.0175 0.0109 0.0037 212 HIS 43 HD2 -0.0160 -0.0012 0.0010 213 HIS 43 HE1 -0.0209 0.0100 -0.0015 214 HIS 43 HE2 -0.0198 0.0027 -0.0029 215 ARG 44 N -0.0065 0.0006 0.0051 216 ARG 44 CA -0.0032 0.0045 0.0034 217 ARG 44 C -0.0021 0.0086 0.0027 218 ARG 44 O -0.0022 0.0074 0.0028 219 ARG 44 CB 0.0017 0.0018 0.0013 220 ARG 44 CG 0.0016 -0.0034 0.0016 221 ARG 44 CD 0.0067 -0.0058 -0.0006 222 ARG 44 NE 0.0070 -0.0110 -0.0005 223 ARG 44 CZ 0.0111 -0.0136 -0.0022 224 ARG 44 NH1 0.0154 -0.0115 -0.0043 225 ARG 44 NH2 0.0110 -0.0183 -0.0019 226 ARG 44 H -0.0059 -0.0012 0.0049 227 ARG 44 HA -0.0044 0.0063 0.0038 228 ARG 44 HB2 0.0035 0.0012 0.0005 229 ARG 44 HB3 0.0039 0.0046 0.0001 230 ARG 44 HG2 0.0003 -0.0026 0.0021 231 ARG 44 HG3 -0.0007 -0.0060 0.0028 232 ARG 44 HD2 0.0081 -0.0062 -0.0012 233 ARG 44 HD3 0.0090 -0.0031 -0.0018 234 ARG 44 HE 0.0038 -0.0126 0.0011 235 ARG 44 HH11 0.0156 -0.0080 -0.0046 236 ARG 44 HH12 0.0186 -0.0134 -0.0056 237 ARG 44 HH21 0.0079 -0.0201 -0.0004 238 ARG 44 HH22 0.0141 -0.0203 -0.0032 239 CYS 45 N 0.0026 0.0044 -0.0044 240 CYS 45 CA 0.0033 0.0047 -0.0061 241 CYS 45 C 0.0039 0.0048 -0.0074 242 CYS 45 O 0.0032 0.0059 -0.0077 243 CYS 45 CB 0.0023 0.0062 -0.0065 244 CYS 45 SG 0.0031 0.0069 -0.0088 245 CYS 45 H 0.0017 0.0052 -0.0040 246 CYS 45 HA 0.0041 0.0036 -0.0060 247 CYS 45 HB2 0.0020 0.0060 -0.0056 248 CYS 45 HB3 0.0014 0.0072 -0.0063 249 LEU 46 N 0.0107 0.0078 -0.0150 250 LEU 46 CA 0.0114 0.0073 -0.0101 251 LEU 46 C 0.0091 0.0058 -0.0117 252 LEU 46 O 0.0070 0.0034 -0.0081 253 LEU 46 CB 0.0167 0.0110 -0.0080 254 LEU 46 CG 0.0193 0.0125 -0.0059 255 LEU 46 CD1 0.0246 0.0163 -0.0045 256 LEU 46 CD2 0.0173 0.0098 -0.0006 257 LEU 46 H 0.0134 0.0103 -0.0168 258 LEU 46 HA 0.0097 0.0052 -0.0065 259 LEU 46 HB2 0.0184 0.0131 -0.0116 260 LEU 46 HB3 0.0172 0.0106 -0.0045 261 LEU 46 HG 0.0187 0.0128 -0.0095 262 LEU 46 HD11 0.0260 0.0183 -0.0084 263 LEU 46 HD12 0.0263 0.0173 -0.0028 264 LEU 46 HD13 0.0252 0.0161 -0.0011 265 LEU 46 HD21 0.0136 0.0072 -0.0018 266 LEU 46 HD22 0.0176 0.0093 0.0029 267 LEU 46 HD23 0.0192 0.0110 0.0009 268 ALA 47 N 0.0088 0.0035 -0.0148 269 ALA 47 CA 0.0105 0.0051 -0.0133 270 ALA 47 C 0.0139 0.0079 -0.0130 271 ALA 47 O 0.0158 0.0095 -0.0127 272 ALA 47 CB 0.0092 0.0044 -0.0094 273 ALA 47 H 0.0071 0.0023 -0.0132 274 ALA 47 HA 0.0104 0.0048 -0.0153 275 ALA 47 HB1 0.0105 0.0055 -0.0084 276 ALA 47 HB2 0.0094 0.0047 -0.0073 277 ALA 47 HB3 0.0069 0.0024 -0.0096 278 CYS 48 N 0.0057 0.0058 -0.0045 279 CYS 48 CA 0.0046 0.0062 -0.0042 280 CYS 48 C 0.0042 0.0064 -0.0033 281 CYS 48 O 0.0033 0.0069 -0.0031 282 CYS 48 CB 0.0044 0.0064 -0.0041 283 CYS 48 SG 0.0046 0.0062 -0.0053 284 CYS 48 H 0.0062 0.0055 -0.0039 285 CYS 48 HA 0.0042 0.0064 -0.0049 286 CYS 48 HB2 0.0049 0.0062 -0.0035 287 CYS 48 HB3 0.0036 0.0067 -0.0039 288 ALA 49 N 0.0036 0.0087 -0.0079 289 ALA 49 CA 0.0035 0.0086 -0.0074 290 ALA 49 C 0.0019 0.0103 -0.0037 291 ALA 49 O 0.0013 0.0114 -0.0033 292 ALA 49 CB 0.0039 0.0105 -0.0108 293 ALA 49 H 0.0045 0.0064 -0.0082 294 ALA 49 HA 0.0045 0.0057 -0.0071 295 ALA 49 HB1 0.0030 0.0134 -0.0111 296 ALA 49 HB2 0.0051 0.0093 -0.0133 297 ALA 49 HB3 0.0039 0.0102 -0.0104 298 ARG 50 N -0.0101 0.0114 -0.0030 299 ARG 50 CA -0.0005 0.0133 -0.0051 300 ARG 50 C 0.0041 0.0197 -0.0077 301 ARG 50 O 0.0026 0.0189 -0.0072 302 ARG 50 CB 0.0059 0.0042 -0.0037 303 ARG 50 CG 0.0023 -0.0024 -0.0012 304 ARG 50 CD 0.0089 -0.0112 0.0001 305 ARG 50 NE 0.0055 -0.0179 0.0025 306 ARG 50 CZ 0.0096 -0.0265 0.0042 307 ARG 50 NH1 0.0175 -0.0294 0.0037 308 ARG 50 NH2 0.0058 -0.0321 0.0064 309 ARG 50 H -0.0111 0.0072 -0.0016 310 ARG 50 HA -0.0011 0.0170 -0.0061 311 ARG 50 HB2 0.0063 0.0005 -0.0027 312 ARG 50 HB3 0.0131 0.0062 -0.0054 313 ARG 50 HG2 0.0020 0.0012 -0.0022 314 ARG 50 HG3 -0.0049 -0.0045 0.0006 315 ARG 50 HD2 0.0094 -0.0148 0.0010 316 ARG 50 HD3 0.0161 -0.0091 -0.0017 317 ARG 50 HE -0.0003 -0.0156 0.0028 318 ARG 50 HH11 0.0207 -0.0254 0.0020 319 ARG 50 HH12 0.0209 -0.0358 0.0049 320 ARG 50 HH21 -0.0002 -0.0302 0.0069 321 ARG 50 HH22 0.0087 -0.0387 0.0077 322 TYR 51 N -0.0048 0.0067 0.0076 323 TYR 51 CA -0.0058 0.0049 0.0086 324 TYR 51 C -0.0078 0.0057 0.0098 325 TYR 51 O -0.0087 0.0069 0.0100 326 TYR 51 CB -0.0055 0.0034 0.0087 327 TYR 51 CG -0.0035 0.0026 0.0076 328 TYR 51 CD1 -0.0025 0.0038 0.0067 329 TYR 51 CD2 -0.0025 0.0008 0.0074 330 TYR 51 CE1 -0.0006 0.0032 0.0056 331 TYR 51 CE2 -0.0007 0.0002 0.0063 332 TYR 51 CZ 0.0003 0.0014 0.0055 333 TYR 51 OH 0.0021 0.0007 0.0044 334 TYR 51 H -0.0050 0.0073 0.0076 335 TYR 51 HA -0.0053 0.0040 0.0084 336 TYR 51 HB2 -0.0061 0.0042 0.0089 337 TYR 51 HB3 -0.0062 0.0020 0.0095 338 TYR 51 HD1 -0.0031 0.0053 0.0068 339 TYR 51 HD2 -0.0033 -0.0001 0.0081 340 TYR 51 HE1 0.0001 0.0042 0.0049 341 TYR 51 HE2 0.0000 -0.0013 0.0062 342 TYR 51 HH 0.0023 0.0009 0.0043 343 PHE 52 N -0.0053 0.0003 0.0084 344 PHE 52 CA -0.0060 0.0004 0.0078 345 PHE 52 C -0.0057 0.0001 0.0095 346 PHE 52 O -0.0042 -0.0001 0.0106 347 PHE 52 CB -0.0049 0.0009 0.0059 348 PHE 52 CG -0.0052 0.0013 0.0041 349 PHE 52 CD1 -0.0040 0.0013 0.0039 350 PHE 52 CD2 -0.0066 0.0015 0.0027 351 PHE 52 CE1 -0.0042 0.0017 0.0023 352 PHE 52 CE2 -0.0069 0.0019 0.0010 353 PHE 52 CZ -0.0056 0.0020 0.0008 354 PHE 52 H -0.0038 0.0003 0.0086 355 PHE 52 HA -0.0076 0.0005 0.0075 356 PHE 52 HB2 -0.0033 0.0008 0.0062 357 PHE 52 HB3 -0.0055 0.0009 0.0055 358 PHE 52 HD1 -0.0028 0.0011 0.0050 359 PHE 52 HD2 -0.0076 0.0015 0.0028 360 PHE 52 HE1 -0.0032 0.0017 0.0021 361 PHE 52 HE2 -0.0080 0.0021 -0.0001 362 PHE 52 HZ -0.0058 0.0022 -0.0004 363 ILE 53 N -0.0128 -0.0015 0.0078 364 ILE 53 CA -0.0081 0.0044 0.0060 365 ILE 53 C -0.0026 0.0102 0.0035 366 ILE 53 O -0.0001 0.0174 0.0042 367 ILE 53 CB -0.0049 0.0000 0.0013 368 ILE 53 CG1 -0.0014 -0.0061 -0.0045 369 ILE 53 CG2 -0.0101 -0.0043 0.0042 370 ILE 53 CD1 0.0020 -0.0105 -0.0095 371 ILE 53 H -0.0131 -0.0074 0.0056 372 ILE 53 HA -0.0108 0.0081 0.0101 373 ILE 53 HB -0.0012 0.0048 -0.0001 374 ILE 53 HG12 -0.0051 -0.0108 -0.0032 375 ILE 53 HG13 0.0022 -0.0027 -0.0064 376 ILE 53 HG21 -0.0140 -0.0088 0.0059 377 ILE 53 HG22 -0.0121 0.0002 0.0079 378 ILE 53 HG23 -0.0078 -0.0074 0.0007 379 ILE 53 HD11 0.0059 -0.0060 -0.0111 380 ILE 53 HD12 0.0042 -0.0147 -0.0133 381 ILE 53 HD13 -0.0016 -0.0139 -0.0077 382 ASP 54 N -0.0004 0.0025 -0.0029 383 ASP 54 CA 0.0032 0.0113 -0.0076 384 ASP 54 C -0.0007 0.0097 -0.0028 385 ASP 54 O -0.0039 -0.0005 0.0014 386 ASP 54 CB 0.0125 0.0086 -0.0187 387 ASP 54 CG 0.0169 0.0178 -0.0243 388 ASP 54 OD1 0.0188 0.0283 -0.0271 389 ASP 54 OD2 0.0185 0.0145 -0.0261 390 ASP 54 H -0.0024 -0.0057 -0.0001 391 ASP 54 HA 0.0021 0.0210 -0.0067 392 ASP 54 HB2 0.0151 0.0092 -0.0218 393 ASP 54 HB3 0.0137 -0.0010 -0.0196 394 SER 55 N -0.0039 0.0102 -0.0146 395 SER 55 CA -0.0094 0.0098 -0.0082 396 SER 55 C -0.0056 0.0033 -0.0060 397 SER 55 O -0.0084 -0.0005 0.0009 398 SER 55 CB -0.0144 0.0180 -0.0107 399 SER 55 OG -0.0198 0.0181 -0.0049 400 SER 55 H -0.0037 0.0150 -0.0196 401 SER 55 HA -0.0128 0.0085 -0.0032 402 SER 55 HB2 -0.0174 0.0222 -0.0115 403 SER 55 HB3 -0.0112 0.0199 -0.0162 404 SER 55 HG -0.0177 0.0166 -0.0057 405 THR 56 N 0.0012 0.0065 -0.0114 406 THR 56 CA 0.0076 -0.0015 -0.0056 407 THR 56 C 0.0110 -0.0082 -0.0003 408 THR 56 O 0.0103 -0.0158 0.0073 409 THR 56 CB 0.0184 -0.0000 -0.0103 410 THR 56 OG1 0.0151 0.0070 -0.0160 411 THR 56 CG2 0.0243 -0.0081 -0.0043 412 THR 56 H 0.0046 0.0117 -0.0174 413 THR 56 HA 0.0022 -0.0040 -0.0016 414 THR 56 HB 0.0240 0.0017 -0.0136 415 THR 56 HG1 0.0145 0.0123 -0.0209 416 THR 56 HG21 0.0319 -0.0068 -0.0079 417 THR 56 HG22 0.0186 -0.0099 -0.0009 418 THR 56 HG23 0.0268 -0.0133 -0.0001 419 ASN 57 N 0.0060 0.0002 -0.0077 420 ASN 57 CA 0.0071 -0.0072 -0.0033 421 ASN 57 C 0.0030 -0.0070 0.0049 422 ASN 57 O 0.0032 -0.0123 0.0093 423 ASN 57 CB 0.0092 -0.0100 -0.0053 424 ASN 57 CG 0.0142 -0.0137 -0.0121 425 ASN 57 OD1 0.0169 -0.0206 -0.0116 426 ASN 57 ND2 0.0155 -0.0094 -0.0186 427 ASN 57 H 0.0061 0.0028 -0.0103 428 ASN 57 HA 0.0094 -0.0110 -0.0046 429 ASN 57 HB2 0.0077 -0.0051 -0.0064 430 ASN 57 HB3 0.0086 -0.0138 -0.0006 431 ASN 57 HD21 0.0133 -0.0039 -0.0191 432 ASN 57 HD22 0.0187 -0.0118 -0.0231 433 LEU 58 N -0.0021 -0.0003 0.0042 434 LEU 58 CA -0.0032 -0.0006 0.0044 435 LEU 58 C -0.0039 -0.0015 0.0056 436 LEU 58 O -0.0040 -0.0020 0.0063 437 LEU 58 CB -0.0043 -0.0000 0.0033 438 LEU 58 CG -0.0057 -0.0002 0.0034 439 LEU 58 CD1 -0.0068 -0.0008 0.0040 440 LEU 58 CD2 -0.0055 -0.0006 0.0040 441 LEU 58 H -0.0022 0.0001 0.0035 442 LEU 58 HA -0.0028 -0.0006 0.0045 443 LEU 58 HB2 -0.0038 0.0005 0.0026 444 LEU 58 HB3 -0.0045 0.0001 0.0031 445 LEU 58 HG -0.0062 0.0003 0.0026 446 LEU 58 HD11 -0.0077 -0.0009 0.0041 447 LEU 58 HD12 -0.0063 -0.0013 0.0049 448 LEU 58 HD13 -0.0069 -0.0004 0.0035 449 LEU 58 HD21 -0.0051 -0.0012 0.0049 450 LEU 58 HD22 -0.0065 -0.0007 0.0040 451 LEU 58 HD23 -0.0048 -0.0002 0.0035 452 LYS 59 N -0.0011 -0.0084 0.0000 453 LYS 59 CA -0.0028 -0.0118 0.0033 454 LYS 59 C -0.0010 -0.0081 0.0079 455 LYS 59 O -0.0015 -0.0091 0.0087 456 LYS 59 CB -0.0054 -0.0172 0.0065 457 LYS 59 CG -0.0049 -0.0160 0.0119 458 LYS 59 CD -0.0076 -0.0216 0.0144 459 LYS 59 CE -0.0095 -0.0254 0.0177 460 LYS 59 NZ -0.0083 -0.0227 0.0235 461 LYS 59 H -0.0015 -0.0092 0.0003 462 LYS 59 HA -0.0034 -0.0131 -0.0004 463 LYS 59 HB2 -0.0066 -0.0197 0.0085 464 LYS 59 HB3 -0.0066 -0.0197 0.0029 465 LYS 59 HG2 -0.0036 -0.0133 0.0100 466 LYS 59 HG3 -0.0039 -0.0138 0.0157 467 LYS 59 HD2 -0.0087 -0.0239 0.0104 468 LYS 59 HD3 -0.0071 -0.0205 0.0177 469 LYS 59 HE2 -0.0099 -0.0264 0.0144 470 LYS 59 HE3 -0.0114 -0.0294 0.0190 471 LYS 59 HZ1 -0.0080 -0.0221 0.0269 472 LYS 59 HZ2 -0.0096 -0.0255 0.0255 473 LYS 59 HZ3 -0.0064 -0.0189 0.0226 474 THR 60 N 0.0050 -0.0082 0.0126 475 THR 60 CA 0.0064 -0.0059 0.0154 476 THR 60 C 0.0059 -0.0034 0.0115 477 THR 60 O 0.0063 -0.0032 0.0125 478 THR 60 CB 0.0083 -0.0019 0.0189 479 THR 60 OG1 0.0087 -0.0043 0.0226 480 THR 60 CG2 0.0097 0.0007 0.0218 481 THR 60 H 0.0055 -0.0069 0.0129 482 THR 60 HA 0.0062 -0.0089 0.0176 483 THR 60 HB 0.0084 0.0010 0.0165 484 THR 60 HG1 0.0080 -0.0051 0.0208 485 THR 60 HG21 0.0111 0.0035 0.0242 486 THR 60 HG22 0.0097 -0.0022 0.0242 487 THR 60 HG23 0.0095 0.0025 0.0191 488 HIS 61 N 0.0023 0.0013 0.0047 489 HIS 61 CA 0.0026 0.0027 0.0023 490 HIS 61 C 0.0030 0.0016 0.0006 491 HIS 61 O 0.0031 0.0030 -0.0009 492 HIS 61 CB 0.0028 0.0029 0.0009 493 HIS 61 CG 0.0032 0.0035 -0.0019 494 HIS 61 ND1 0.0032 0.0059 -0.0029 495 HIS 61 CD2 0.0037 0.0020 -0.0039 496 HIS 61 CE1 0.0036 0.0057 -0.0053 497 HIS 61 NE2 0.0039 0.0034 -0.0060 498 HIS 61 H 0.0024 0.0004 0.0050 499 HIS 61 HA 0.0023 0.0046 0.0028 500 HIS 61 HB2 0.0025 0.0044 0.0018 501 HIS 61 HB3 0.0029 0.0011 0.0012 502 HIS 61 HD1 0.0029 0.0075 -0.0019 503 HIS 61 HD2 0.0039 -0.0000 -0.0038 504 HIS 61 HE1 0.0038 0.0070 -0.0069 505 PHE 62 N 0.0035 0.0001 -0.0008 506 PHE 62 CA 0.0034 -0.0012 -0.0021 507 PHE 62 C 0.0036 -0.0016 -0.0013 508 PHE 62 O 0.0036 -0.0027 -0.0022 509 PHE 62 CB 0.0036 -0.0031 -0.0025 510 PHE 62 CG 0.0035 -0.0029 -0.0031 511 PHE 62 CD1 0.0031 -0.0017 -0.0046 512 PHE 62 CD2 0.0038 -0.0038 -0.0021 513 PHE 62 CE1 0.0030 -0.0016 -0.0052 514 PHE 62 CE2 0.0037 -0.0037 -0.0026 515 PHE 62 CZ 0.0033 -0.0025 -0.0041 516 PHE 62 H 0.0037 -0.0004 0.0002 517 PHE 62 HA 0.0031 -0.0004 -0.0034 518 PHE 62 HB2 0.0040 -0.0041 -0.0014 519 PHE 62 HB3 0.0035 -0.0037 -0.0038 520 PHE 62 HD1 0.0028 -0.0010 -0.0054 521 PHE 62 HD2 0.0041 -0.0047 -0.0009 522 PHE 62 HE1 0.0026 -0.0007 -0.0064 523 PHE 62 HE2 0.0039 -0.0044 -0.0018 524 PHE 62 HZ 0.0032 -0.0024 -0.0044 525 ARG 63 N 0.0073 -0.0009 0.0103 526 ARG 63 CA 0.0078 -0.0020 -0.0009 527 ARG 63 C 0.0007 -0.0051 -0.0068 528 ARG 63 O -0.0002 -0.0065 -0.0162 529 ARG 63 CB 0.0062 -0.0028 -0.0031 530 ARG 63 CG 0.0143 0.0005 0.0008 531 ARG 63 CD 0.0124 -0.0004 -0.0015 532 ARG 63 NE 0.0114 -0.0021 -0.0126 533 ARG 63 CZ 0.0113 -0.0026 -0.0169 534 ARG 63 NH1 0.0127 -0.0015 -0.0113 535 ARG 63 NH2 0.0099 -0.0043 -0.0270 536 ARG 63 H 0.0039 -0.0015 0.0151 537 ARG 63 HA 0.0152 0.0003 -0.0035 538 ARG 63 HB2 -0.0007 -0.0048 0.0006 539 ARG 63 HB3 0.0058 -0.0039 -0.0114 540 ARG 63 HG2 0.0212 0.0025 -0.0031 541 ARG 63 HG3 0.0148 0.0016 0.0091 542 ARG 63 HD2 0.0186 0.0020 0.0012 543 ARG 63 HD3 0.0057 -0.0023 0.0027 544 ARG 63 HE 0.0106 -0.0029 -0.0169 545 ARG 63 HH11 0.0139 -0.0002 -0.0036 546 ARG 63 HH12 0.0126 -0.0019 -0.0144 547 ARG 63 HH21 0.0089 -0.0051 -0.0315 548 ARG 63 HH22 0.0097 -0.0048 -0.0307 549 SER 64 N 0.0073 0.0053 -0.0009 550 SER 64 CA 0.0079 0.0063 -0.0012 551 SER 64 C 0.0079 0.0057 -0.0017 552 SER 64 O 0.0081 0.0050 -0.0026 553 SER 64 CB 0.0086 0.0067 -0.0022 554 SER 64 OG 0.0086 0.0069 -0.0020 555 SER 64 H 0.0074 0.0048 -0.0014 556 SER 64 HA 0.0078 0.0070 -0.0005 557 SER 64 HB2 0.0087 0.0060 -0.0030 558 SER 64 HB3 0.0090 0.0075 -0.0024 559 SER 64 HG 0.0086 0.0076 -0.0014 560 LYS 65 N 0.0102 0.0103 -0.0007 561 LYS 65 CA 0.0111 0.0090 -0.0022 562 LYS 65 C 0.0112 0.0094 -0.0043 563 LYS 65 O 0.0120 0.0082 -0.0054 564 LYS 65 CB 0.0112 0.0088 -0.0022 565 LYS 65 CG 0.0103 0.0106 -0.0024 566 LYS 65 CD 0.0100 0.0117 -0.0044 567 LYS 65 CE 0.0091 0.0135 -0.0045 568 LYS 65 NZ 0.0088 0.0146 -0.0064 569 LYS 65 H 0.0097 0.0110 0.0000 570 LYS 65 HA 0.0117 0.0077 -0.0017 571 LYS 65 HB2 0.0118 0.0081 -0.0035 572 LYS 65 HB3 0.0114 0.0081 -0.0008 573 LYS 65 HG2 0.0105 0.0103 -0.0022 574 LYS 65 HG3 0.0097 0.0115 -0.0012 575 LYS 65 HD2 0.0099 0.0121 -0.0046 576 LYS 65 HD3 0.0106 0.0109 -0.0056 577 LYS 65 HE2 0.0093 0.0131 -0.0044 578 LYS 65 HE3 0.0085 0.0143 -0.0032 579 LYS 65 HZ1 0.0093 0.0140 -0.0077 580 LYS 65 HZ2 0.0086 0.0151 -0.0066 581 LYS 65 HZ3 0.0082 0.0158 -0.0065 582 ASP 66 N 0.0094 0.0109 0.0044 583 ASP 66 CA 0.0062 0.0110 0.0024 584 ASP 66 C 0.0052 0.0128 0.0037 585 ASP 66 O 0.0036 0.0123 0.0022 586 ASP 66 CB 0.0033 0.0120 0.0017 587 ASP 66 CG 0.0001 0.0117 -0.0007 588 ASP 66 OD1 -0.0002 0.0094 -0.0033 589 ASP 66 OD2 -0.0021 0.0136 -0.0002 590 ASP 66 H 0.0093 0.0119 0.0053 591 ASP 66 HA 0.0066 0.0089 0.0005 592 ASP 66 HB2 0.0042 0.0109 0.0011 593 ASP 66 HB3 0.0027 0.0142 0.0036 594 HIS 67 N 0.0057 0.0063 0.0048 595 HIS 67 CA 0.0053 0.0064 0.0032 596 HIS 67 C 0.0031 0.0072 0.0033 597 HIS 67 O 0.0027 0.0074 0.0036 598 HIS 67 CB 0.0056 0.0062 0.0009 599 HIS 67 CG 0.0055 0.0063 -0.0009 600 HIS 67 ND1 0.0060 0.0061 -0.0006 601 HIS 67 CD2 0.0054 0.0063 -0.0030 602 HIS 67 CE1 0.0064 0.0059 -0.0025 603 HIS 67 NE2 0.0061 0.0060 -0.0041 604 HIS 67 H 0.0061 0.0061 0.0043 605 HIS 67 HA 0.0063 0.0060 0.0035 606 HIS 67 HB2 0.0072 0.0056 0.0006 607 HIS 67 HB3 0.0046 0.0066 0.0004 608 HIS 67 HD1 0.0062 0.0060 0.0007 609 HIS 67 HD2 0.0047 0.0066 -0.0036 610 HIS 67 HE1 0.0069 0.0057 -0.0029 611 LYS 68 N 0.0008 -0.0013 -0.0003 612 LYS 68 CA -0.0004 -0.0000 -0.0001 613 LYS 68 C -0.0025 -0.0018 0.0011 614 LYS 68 O -0.0045 -0.0009 0.0016 615 LYS 68 CB 0.0018 0.0004 -0.0010 616 LYS 68 CG 0.0040 0.0021 -0.0023 617 LYS 68 CD 0.0063 0.0024 -0.0032 618 LYS 68 CE 0.0076 -0.0005 -0.0030 619 LYS 68 NZ 0.0099 -0.0002 -0.0039 620 LYS 68 H 0.0027 -0.0021 -0.0007 621 LYS 68 HA -0.0014 0.0020 -0.0003 622 LYS 68 HB2 0.0027 -0.0016 -0.0009 623 LYS 68 HB3 0.0010 0.0016 -0.0010 624 LYS 68 HG2 0.0033 0.0041 -0.0025 625 LYS 68 HG3 0.0049 0.0010 -0.0023 626 LYS 68 HD2 0.0054 0.0034 -0.0031 627 LYS 68 HD3 0.0078 0.0036 -0.0040 628 LYS 68 HE2 0.0084 -0.0015 -0.0030 629 LYS 68 HE3 0.0062 -0.0017 -0.0021 630 LYS 68 HZ1 0.0093 0.0008 -0.0039 631 LYS 68 HZ2 0.0108 -0.0022 -0.0037 632 LYS 68 HZ3 0.0113 0.0009 -0.0047 633 LYS 69 N 0.0027 0.0097 0.0071 634 LYS 69 CA 0.0021 0.0086 0.0033 635 LYS 69 C -0.0001 0.0093 0.0041 636 LYS 69 O 0.0011 0.0086 0.0027 637 LYS 69 CB -0.0006 0.0083 0.0005 638 LYS 69 CG -0.0027 0.0076 -0.0031 639 LYS 69 CD -0.0055 0.0075 -0.0051 640 LYS 69 CE -0.0081 0.0069 -0.0087 641 LYS 69 NZ -0.0109 0.0069 -0.0102 642 LYS 69 H 0.0015 0.0099 0.0072 643 LYS 69 HA 0.0051 0.0077 0.0020 644 LYS 69 HB2 0.0014 0.0076 -0.0006 645 LYS 69 HB3 -0.0029 0.0092 0.0023 646 LYS 69 HG2 -0.0044 0.0082 -0.0019 647 LYS 69 HG3 -0.0004 0.0065 -0.0052 648 LYS 69 HD2 -0.0036 0.0068 -0.0061 649 LYS 69 HD3 -0.0075 0.0085 -0.0028 650 LYS 69 HE2 -0.0100 0.0075 -0.0078 651 LYS 69 HE3 -0.0061 0.0058 -0.0111 652 LYS 69 HZ1 -0.0129 0.0066 -0.0127 653 LYS 69 HZ2 -0.0128 0.0080 -0.0079 654 LYS 69 HZ3 -0.0092 0.0064 -0.0110 655 ARG 70 N -0.0021 0.0078 0.0076 656 ARG 70 CA -0.0038 0.0083 0.0081 657 ARG 70 C -0.0039 0.0097 0.0086 658 ARG 70 O -0.0052 0.0099 0.0089 659 ARG 70 CB -0.0043 0.0089 0.0084 660 ARG 70 CG -0.0062 0.0093 0.0088 661 ARG 70 CD -0.0074 0.0079 0.0085 662 ARG 70 NE -0.0091 0.0083 0.0089 663 ARG 70 CZ -0.0103 0.0077 0.0089 664 ARG 70 NH1 -0.0100 0.0065 0.0084 665 ARG 70 NH2 -0.0119 0.0081 0.0093 666 ARG 70 H -0.0014 0.0079 0.0076 667 ARG 70 HA -0.0046 0.0073 0.0078 668 ARG 70 HB2 -0.0041 0.0079 0.0080 669 ARG 70 HB3 -0.0035 0.0099 0.0086 670 ARG 70 HG2 -0.0064 0.0096 0.0090 671 ARG 70 HG3 -0.0063 0.0103 0.0092 672 ARG 70 HD2 -0.0071 0.0076 0.0083 673 ARG 70 HD3 -0.0072 0.0069 0.0081 674 ARG 70 HE -0.0094 0.0091 0.0093 675 ARG 70 HH11 -0.0088 0.0062 0.0081 676 ARG 70 HH12 -0.0108 0.0061 0.0083 677 ARG 70 HH21 -0.0122 0.0090 0.0096 678 ARG 70 HH22 -0.0129 0.0077 0.0093 679 LEU 71 N -0.0032 0.0023 0.0086 680 LEU 71 CA -0.0046 0.0018 0.0071 681 LEU 71 C -0.0064 0.0014 0.0078 682 LEU 71 O -0.0072 0.0011 0.0067 683 LEU 71 CB -0.0053 0.0016 0.0065 684 LEU 71 CG -0.0037 0.0019 0.0057 685 LEU 71 CD1 -0.0046 0.0016 0.0051 686 LEU 71 CD2 -0.0025 0.0021 0.0040 687 LEU 71 H -0.0030 0.0024 0.0092 688 LEU 71 HA -0.0040 0.0019 0.0058 689 LEU 71 HB2 -0.0060 0.0015 0.0078 690 LEU 71 HB3 -0.0064 0.0012 0.0054 691 LEU 71 HG -0.0027 0.0023 0.0069 692 LEU 71 HD11 -0.0056 0.0013 0.0039 693 LEU 71 HD12 -0.0054 0.0015 0.0063 694 LEU 71 HD13 -0.0034 0.0019 0.0045 695 LEU 71 HD21 -0.0018 0.0023 0.0045 696 LEU 71 HD22 -0.0035 0.0017 0.0028 697 LEU 71 HD23 -0.0015 0.0023 0.0035 698 LYS 72 N -0.0103 0.0008 0.0078 699 LYS 72 CA -0.0082 0.0017 0.0067 700 LYS 72 C -0.0073 0.0021 0.0063 701 LYS 72 O -0.0052 0.0022 0.0066 702 LYS 72 CB -0.0087 0.0028 0.0046 703 LYS 72 CG -0.0066 0.0038 0.0034 704 LYS 72 CD -0.0072 0.0048 0.0014 705 LYS 72 CE -0.0052 0.0058 0.0002 706 LYS 72 NZ -0.0057 0.0068 -0.0017 707 LYS 72 H -0.0117 0.0010 0.0071 708 LYS 72 HA -0.0069 0.0014 0.0076 709 LYS 72 HB2 -0.0093 0.0025 0.0049 710 LYS 72 HB3 -0.0100 0.0031 0.0037 711 LYS 72 HG2 -0.0060 0.0041 0.0029 712 LYS 72 HG3 -0.0052 0.0035 0.0043 713 LYS 72 HD2 -0.0078 0.0045 0.0018 714 LYS 72 HD3 -0.0086 0.0051 0.0005 715 LYS 72 HE2 -0.0046 0.0062 -0.0003 716 LYS 72 HE3 -0.0038 0.0055 0.0011 717 LYS 72 HZ1 -0.0070 0.0071 -0.0026 718 LYS 72 HZ2 -0.0062 0.0065 -0.0013 719 LYS 72 HZ3 -0.0042 0.0074 -0.0025 720 GLN 73 N -0.0056 0.0074 0.0074 721 GLN 73 CA -0.0035 0.0082 0.0071 722 GLN 73 C -0.0018 0.0062 0.0073 723 GLN 73 O 0.0003 0.0063 0.0071 724 GLN 73 CB -0.0039 0.0095 0.0068 725 GLN 73 CG -0.0055 0.0117 0.0066 726 GLN 73 CD -0.0060 0.0129 0.0064 727 GLN 73 OE1 -0.0061 0.0118 0.0066 728 GLN 73 NE2 -0.0063 0.0151 0.0060 729 GLN 73 H -0.0071 0.0075 0.0076 730 GLN 73 HA -0.0027 0.0094 0.0068 731 GLN 73 HB2 -0.0048 0.0084 0.0072 732 GLN 73 HB3 -0.0023 0.0101 0.0066 733 GLN 73 HG2 -0.0046 0.0129 0.0062 734 GLN 73 HG3 -0.0071 0.0112 0.0068 735 GLN 73 HE21 -0.0062 0.0159 0.0058 736 GLN 73 HE22 -0.0067 0.0160 0.0058 737 LEU 74 N -0.0041 0.0027 0.0056 738 LEU 74 CA -0.0033 0.0014 0.0058 739 LEU 74 C -0.0016 -0.0011 0.0064 740 LEU 74 O -0.0005 -0.0024 0.0063 741 LEU 74 CB -0.0051 0.0018 0.0075 742 LEU 74 CG -0.0045 0.0007 0.0078 743 LEU 74 CD1 -0.0034 0.0018 0.0056 744 LEU 74 CD2 -0.0065 0.0012 0.0096 745 LEU 74 H -0.0055 0.0031 0.0068 746 LEU 74 HA -0.0024 0.0022 0.0042 747 LEU 74 HB2 -0.0062 0.0036 0.0071 748 LEU 74 HB3 -0.0057 0.0009 0.0091 749 LEU 74 HG -0.0034 -0.0011 0.0083 750 LEU 74 HD11 -0.0030 0.0011 0.0059 751 LEU 74 HD12 -0.0044 0.0036 0.0050 752 LEU 74 HD13 -0.0019 0.0014 0.0044 753 LEU 74 HD21 -0.0075 0.0030 0.0091 754 LEU 74 HD22 -0.0060 0.0004 0.0098 755 LEU 74 HD23 -0.0072 0.0004 0.0111 756 SER 75 N -0.0021 -0.0038 0.0045 757 SER 75 CA -0.0009 -0.0117 0.0052 758 SER 75 C -0.0027 -0.0159 0.0095 759 SER 75 O -0.0012 -0.0225 0.0094 760 SER 75 CB 0.0039 -0.0147 -0.0013 761 SER 75 OG 0.0051 -0.0223 -0.0008 762 SER 75 H -0.0043 -0.0007 0.0069 763 SER 75 HA -0.0023 -0.0125 0.0077 764 SER 75 HB2 0.0049 -0.0117 -0.0040 765 SER 75 HB3 0.0053 -0.0139 -0.0038 766 SER 75 HG 0.0071 -0.0229 -0.0038 767 VAL 76 N -0.0067 -0.0096 0.0042 768 VAL 76 CA -0.0068 -0.0097 0.0040 769 VAL 76 C -0.0090 -0.0129 0.0064 770 VAL 76 O -0.0102 -0.0154 0.0045 771 VAL 76 CB -0.0050 -0.0062 0.0060 772 VAL 76 CG1 -0.0051 -0.0065 0.0059 773 VAL 76 CG2 -0.0028 -0.0030 0.0037 774 VAL 76 H -0.0057 -0.0075 0.0056 775 VAL 76 HA -0.0066 -0.0101 0.0008 776 VAL 76 HB -0.0053 -0.0058 0.0091 777 VAL 76 HG11 -0.0039 -0.0040 0.0072 778 VAL 76 HG12 -0.0049 -0.0069 0.0027 779 VAL 76 HG13 -0.0067 -0.0087 0.0076 780 VAL 76 HG21 -0.0015 -0.0005 0.0051 781 VAL 76 HG22 -0.0027 -0.0028 0.0039 782 VAL 76 HG23 -0.0025 -0.0033 0.0005 783 GLU 77 N -0.0119 -0.0126 0.0063 784 GLU 77 CA -0.0130 -0.0131 0.0068 785 GLU 77 C -0.0136 -0.0142 0.0092 786 GLU 77 O -0.0121 -0.0144 0.0108 787 GLU 77 CB -0.0116 -0.0125 0.0061 788 GLU 77 CG -0.0091 -0.0121 0.0072 789 GLU 77 CD -0.0078 -0.0115 0.0066 790 GLU 77 OE1 -0.0072 -0.0106 0.0046 791 GLU 77 OE2 -0.0075 -0.0119 0.0081 792 GLU 77 H -0.0108 -0.0127 0.0075 793 GLU 77 HA -0.0146 -0.0132 0.0057 794 GLU 77 HB2 -0.0125 -0.0130 0.0068 795 GLU 77 HB3 -0.0117 -0.0118 0.0043 796 GLU 77 HG2 -0.0082 -0.0116 0.0065 797 GLU 77 HG3 -0.0090 -0.0127 0.0090 798 PRO 78 N -0.0080 -0.0208 0.0130 799 PRO 78 CA -0.0083 -0.0147 0.0106 800 PRO 78 C -0.0144 -0.0159 0.0126 801 PRO 78 O -0.0143 -0.0219 0.0150 802 PRO 78 CB -0.0002 -0.0155 0.0089 803 PRO 78 CG 0.0047 -0.0203 0.0097 804 PRO 78 CD -0.0006 -0.0253 0.0130 805 PRO 78 HA -0.0095 -0.0094 0.0087 806 PRO 78 HB2 -0.0005 -0.0180 0.0100 807 PRO 78 HB3 0.0019 -0.0101 0.0062 808 PRO 78 HG2 0.0093 -0.0234 0.0099 809 PRO 78 HG3 0.0072 -0.0169 0.0077 810 PRO 78 HD2 -0.0011 -0.0302 0.0151 811 PRO 78 HD3 0.0013 -0.0268 0.0132 812 TYR 79 N -0.0146 -0.0097 0.0054 813 TYR 79 CA -0.0224 -0.0084 0.0009 814 TYR 79 C -0.0330 -0.0187 0.0063 815 TYR 79 O -0.0303 -0.0258 0.0140 816 TYR 79 CB -0.0135 -0.0040 0.0004 817 TYR 79 CG -0.0044 0.0070 -0.0062 818 TYR 79 CD1 0.0084 0.0085 -0.0023 819 TYR 79 CD2 -0.0087 0.0160 -0.0165 820 TYR 79 CE1 0.0166 0.0185 -0.0083 821 TYR 79 CE2 -0.0005 0.0260 -0.0226 822 TYR 79 CZ 0.0121 0.0272 -0.0185 823 TYR 79 OH 0.0204 0.0373 -0.0247 824 TYR 79 H -0.0160 -0.0060 0.0013 825 TYR 79 HA -0.0280 -0.0028 -0.0067 826 TYR 79 HB2 -0.0072 -0.0092 0.0080 827 TYR 79 HB3 -0.0200 -0.0036 -0.0026 828 TYR 79 HD1 0.0119 0.0016 0.0057 829 TYR 79 HD2 -0.0186 0.0149 -0.0197 830 TYR 79 HE1 0.0266 0.0194 -0.0051 831 TYR 79 HE2 -0.0041 0.0329 -0.0306 832 TYR 79 HH 0.0147 0.0411 -0.0306 833 SER 80 N -0.0158 -0.0091 -0.0024 834 SER 80 CA -0.0135 -0.0077 -0.0036 835 SER 80 C -0.0096 -0.0081 -0.0052 836 SER 80 O -0.0088 -0.0089 -0.0053 837 SER 80 CB -0.0140 -0.0100 -0.0029 838 SER 80 OG -0.0121 -0.0085 -0.0040 839 SER 80 H -0.0157 -0.0119 -0.0018 840 SER 80 HA -0.0144 -0.0047 -0.0040 841 SER 80 HB2 -0.0168 -0.0098 -0.0018 842 SER 80 HB3 -0.0131 -0.0129 -0.0026 843 SER 80 HG -0.0137 -0.0063 -0.0039 844 GLN 81 N 0.0121 -0.0087 -0.0139 845 GLN 81 CA 0.0125 -0.0087 -0.0123 846 GLN 81 C 0.0127 -0.0087 -0.0116 847 GLN 81 O 0.0126 -0.0082 -0.0123 848 GLN 81 CB 0.0128 -0.0074 -0.0119 849 GLN 81 CG 0.0132 -0.0074 -0.0103 850 GLN 81 CD 0.0135 -0.0060 -0.0098 851 GLN 81 OE1 0.0136 -0.0048 -0.0103 852 GLN 81 NE2 0.0138 -0.0062 -0.0087 853 GLN 81 H 0.0121 -0.0079 -0.0145 854 GLN 81 HA 0.0125 -0.0097 -0.0120 855 GLN 81 HB2 0.0127 -0.0073 -0.0125 856 GLN 81 HB3 0.0129 -0.0064 -0.0121 857 GLN 81 HG2 0.0133 -0.0076 -0.0097 858 GLN 81 HG3 0.0131 -0.0083 -0.0101 859 GLN 81 HE21 0.0137 -0.0072 -0.0083 860 GLN 81 HE22 0.0140 -0.0054 -0.0084 861 GLU 82 N 0.0166 -0.0055 -0.0113 862 GLU 82 CA 0.0170 -0.0055 -0.0068 863 GLU 82 C 0.0137 -0.0061 -0.0042 864 GLU 82 O 0.0134 -0.0062 -0.0004 865 GLU 82 CB 0.0215 -0.0048 -0.0053 866 GLU 82 CG 0.0223 -0.0047 -0.0007 867 GLU 82 CD 0.0268 -0.0040 0.0004 868 GLU 82 OE1 0.0283 -0.0038 0.0011 869 GLU 82 OE2 0.0290 -0.0037 0.0007 870 GLU 82 H 0.0150 -0.0057 -0.0131 871 GLU 82 HA 0.0161 -0.0056 -0.0066 872 GLU 82 HB2 0.0235 -0.0045 -0.0072 873 GLU 82 HB3 0.0224 -0.0047 -0.0057 874 GLU 82 HG2 0.0205 -0.0050 0.0013 875 GLU 82 HG3 0.0214 -0.0049 -0.0002 876 GLU 83 N 0.0014 -0.0059 -0.0150 877 GLU 83 CA 0.0004 -0.0083 -0.0158 878 GLU 83 C 0.0021 -0.0059 -0.0150 879 GLU 83 O 0.0050 -0.0076 -0.0155 880 GLU 83 CB -0.0047 -0.0092 -0.0162 881 GLU 83 CG -0.0062 -0.0118 -0.0171 882 GLU 83 CD -0.0111 -0.0130 -0.0176 883 GLU 83 OE1 -0.0141 -0.0103 -0.0168 884 GLU 83 OE2 -0.0121 -0.0168 -0.0189 885 GLU 83 H 0.0005 -0.0029 -0.0140 886 GLU 83 HA 0.0022 -0.0114 -0.0168 887 GLU 83 HB2 -0.0056 -0.0111 -0.0168 888 GLU 83 HB3 -0.0065 -0.0062 -0.0153 889 GLU 83 HG2 -0.0057 -0.0098 -0.0165 890 GLU 83 HG3 -0.0042 -0.0147 -0.0180 891 ALA 84 N -0.0057 -0.0093 -0.0128 892 ALA 84 CA -0.0108 -0.0076 -0.0165 893 ALA 84 C -0.0081 -0.0056 -0.0209 894 ALA 84 O -0.0109 -0.0035 -0.0254 895 ALA 84 CB -0.0143 -0.0062 -0.0193 896 ALA 84 H -0.0032 -0.0087 -0.0143 897 ALA 84 HA -0.0139 -0.0088 -0.0137 898 ALA 84 HB1 -0.0179 -0.0049 -0.0220 899 ALA 84 HB2 -0.0111 -0.0051 -0.0218 900 ALA 84 HB3 -0.0165 -0.0077 -0.0159 901 GLU 85 N 0.0074 -0.0107 -0.0142 902 GLU 85 CA 0.0042 -0.0129 -0.0151 903 GLU 85 C 0.0033 -0.0094 -0.0129 904 GLU 85 O 0.0063 -0.0085 -0.0128 905 GLU 85 CB 0.0069 -0.0167 -0.0177 906 GLU 85 CG 0.0036 -0.0198 -0.0191 907 GLU 85 CD 0.0021 -0.0182 -0.0179 908 GLU 85 OE1 0.0049 -0.0186 -0.0185 909 GLU 85 OE2 -0.0020 -0.0164 -0.0163 910 GLU 85 H 0.0085 -0.0078 -0.0126 911 GLU 85 HA 0.0008 -0.0140 -0.0153 912 GLU 85 HB2 0.0085 -0.0185 -0.0190 913 GLU 85 HB3 0.0099 -0.0154 -0.0173 914 GLU 85 HG2 0.0003 -0.0200 -0.0187 915 GLU 85 HG3 0.0052 -0.0229 -0.0211 916 ARG 86 N -0.0059 -0.0062 0.0058 917 ARG 86 CA -0.0129 -0.0006 0.0012 918 ARG 86 C -0.0178 -0.0013 0.0061 919 ARG 86 O -0.0135 -0.0057 0.0106 920 ARG 86 CB -0.0085 0.0033 -0.0091 921 ARG 86 CG 0.0018 0.0002 -0.0111 922 ARG 86 CD 0.0023 -0.0023 -0.0071 923 ARG 86 NE 0.0124 -0.0057 -0.0086 924 ARG 86 CZ 0.0156 -0.0094 -0.0045 925 ARG 86 NH1 0.0094 -0.0099 0.0012 926 ARG 86 NH2 0.0250 -0.0124 -0.0060 927 ARG 86 H -0.0005 -0.0092 0.0073 928 ARG 86 HA -0.0186 0.0017 0.0013 929 ARG 86 HB2 -0.0133 0.0069 -0.0119 930 ARG 86 HB3 -0.0082 0.0053 -0.0128 931 ARG 86 HG2 0.0042 0.0033 -0.0185 932 ARG 86 HG3 0.0066 -0.0034 -0.0083 933 ARG 86 HD2 -0.0007 -0.0051 0.0001 934 ARG 86 HD3 -0.0019 0.0014 -0.0105 935 ARG 86 HE 0.0171 -0.0052 -0.0129 936 ARG 86 HH11 0.0022 -0.0077 0.0026 937 ARG 86 HH12 0.0117 -0.0126 0.0043 938 ARG 86 HH21 0.0299 -0.0121 -0.0103 939 ARG 86 HH22 0.0277 -0.0152 -0.0031 940 ALA 87 N -0.0115 0.0024 0.0033 941 ALA 87 CA -0.0300 0.0018 -0.0024 942 ALA 87 C -0.0448 0.0242 0.0354 943 ALA 87 O -0.0415 0.0292 0.0454 944 ALA 87 CB 0.0037 -0.0103 -0.0164 945 ALA 87 H 0.0174 0.0051 0.0158 946 ALA 87 HA -0.0567 -0.0057 -0.0233 947 ALA 87 HB1 0.0307 -0.0030 0.0042 948 ALA 87 HB2 0.0140 -0.0262 -0.0432 949 ALA 87 HB3 -0.0096 -0.0104 -0.0199 950 ALA 88 N -0.0178 0.0088 -0.0285 951 ALA 88 CA -0.0303 0.0120 0.0172 952 ALA 88 C -0.0858 0.0442 0.0154 953 ALA 88 O -0.1191 0.0608 0.0452 954 ALA 88 CB -0.0177 -0.0004 0.0765 955 ALA 88 H -0.0406 0.0223 -0.0334 956 ALA 88 HA -0.0078 -0.0002 0.0092 957 ALA 88 HB1 -0.0403 0.0119 0.0854 958 ALA 88 HB2 0.0222 -0.0234 0.0765 959 ALA 88 HB3 -0.0265 0.0019 0.1097 960 GLY 89 N 0.0828 0.0186 -0.0202 961 GLY 89 CA 0.0574 0.0259 -0.0212 962 GLY 89 C 0.0601 0.0264 -0.0307 963 GLY 89 O 0.0738 0.0208 -0.0179 964 GLY 89 H 0.0983 0.0156 -0.0301 965 GLY 89 HA2 0.0480 0.0258 -0.0011 966 GLY 89 HA3 0.0453 0.0312 -0.0352 967 MET 90 N -0.0035 0.0146 0.0083 968 MET 90 CA -0.0028 0.0148 0.0080 969 MET 90 C -0.0029 0.0141 0.0089 970 MET 90 O -0.0022 0.0134 0.0097 971 MET 90 CB -0.0012 0.0149 0.0077 972 MET 90 CG -0.0004 0.0152 0.0071 973 MET 90 SD -0.0002 0.0146 0.0079 974 MET 90 CE 0.0009 0.0151 0.0070 975 MET 90 H -0.0042 0.0150 0.0079 976 MET 90 HA -0.0032 0.0154 0.0073 977 MET 90 HB2 -0.0012 0.0153 0.0071 978 MET 90 HB3 -0.0007 0.0142 0.0084 979 MET 90 HG2 -0.0009 0.0158 0.0064 980 MET 90 HG3 0.0006 0.0153 0.0069 981 MET 90 HE1 0.0004 0.0158 0.0063 982 MET 90 HE2 0.0011 0.0148 0.0074 983 MET 90 HE3 0.0018 0.0151 0.0068 984 GLY 91 N 0.0004 -0.0006 0.0222 985 GLY 91 CA 0.0059 0.0017 0.0134 986 GLY 91 C 0.0102 0.0005 0.0182 987 GLY 91 O 0.0207 0.0005 0.0192 988 GLY 91 H 0.0050 -0.0023 0.0290 989 GLY 91 HA2 -0.0004 0.0033 0.0067 990 GLY 91 HA3 0.0132 0.0027 0.0101 991 SER 92 N 0.0073 0.0051 -0.0006 992 SER 92 CA 0.0090 0.0089 -0.0059 993 SER 92 C 0.0094 0.0075 -0.0144 994 SER 92 O 0.0076 0.0010 -0.0174 995 SER 92 CB 0.0081 0.0064 -0.0045 996 SER 92 OG 0.0078 0.0078 0.0036 997 SER 92 H 0.0056 -0.0005 -0.0009 998 SER 92 HA 0.0108 0.0149 -0.0045 999 SER 92 HB2 0.0063 0.0004 -0.0059 1000 SER 92 HB3 0.0095 0.0096 -0.0083 1001 SER 92 HG 0.0079 0.0090 0.0063 1002 TYR 93 N -0.0038 0.0021 -0.0127 1003 TYR 93 CA -0.0019 0.0008 -0.0105 1004 TYR 93 C -0.0012 0.0015 -0.0106 1005 TYR 93 O -0.0028 0.0023 -0.0123 1006 TYR 93 CB -0.0034 -0.0020 -0.0089 1007 TYR 93 CG -0.0015 -0.0037 -0.0064 1008 TYR 93 CD1 0.0001 -0.0041 -0.0051 1009 TYR 93 CD2 -0.0013 -0.0047 -0.0054 1010 TYR 93 CE1 0.0018 -0.0056 -0.0028 1011 TYR 93 CE2 0.0004 -0.0061 -0.0032 1012 TYR 93 CZ 0.0019 -0.0066 -0.0019 1013 TYR 93 OH 0.0037 -0.0080 0.0003 1014 TYR 93 H -0.0057 0.0016 -0.0133 1015 TYR 93 HA 0.0001 0.0014 -0.0099 1016 TYR 93 HB2 -0.0042 -0.0024 -0.0091 1017 TYR 93 HB3 -0.0051 -0.0026 -0.0094 1018 TYR 93 HD1 -0.0001 -0.0034 -0.0058 1019 TYR 93 HD2 -0.0025 -0.0043 -0.0064 1020 TYR 93 HE1 0.0030 -0.0060 -0.0018 1021 TYR 93 HE2 0.0005 -0.0069 -0.0024 1022 TYR 93 HH 0.0048 -0.0074 0.0004 1023 VAL 94 N -0.0282 -0.0128 0.0046 1024 VAL 94 CA -0.0184 -0.0054 0.0032 1025 VAL 94 C -0.0173 -0.0032 0.0033 1026 VAL 94 O -0.0149 -0.0112 0.0013 1027 VAL 94 CB -0.0071 -0.0097 -0.0005 1028 VAL 94 CG1 -0.0047 -0.0219 -0.0032 1029 VAL 94 CG2 0.0028 -0.0014 -0.0018 1030 VAL 94 H -0.0271 -0.0202 0.0031 1031 VAL 94 HA -0.0201 0.0029 0.0051 1032 VAL 94 HB -0.0082 -0.0099 -0.0002 1033 VAL 94 HG11 0.0030 -0.0245 -0.0057 1034 VAL 94 HG12 -0.0039 -0.0221 -0.0034 1035 VAL 94 HG13 -0.0115 -0.0277 -0.0023 1036 VAL 94 HG21 0.0038 -0.0007 -0.0019 1037 VAL 94 HG22 0.0104 -0.0046 -0.0043 1038 VAL 94 HG23 0.0013 0.0069 0.0000