1 ASP 28 N -0.0037 -0.0052 -0.0178 2 ASP 28 CA 0.0079 0.0071 0.0033 3 ASP 28 C 0.0047 -0.0122 0.0214 4 ASP 28 O -0.0020 -0.0328 0.0295 5 ASP 28 CB 0.0181 0.0197 0.0190 6 ASP 28 CG 0.0306 0.0332 0.0411 7 ASP 28 OD1 0.0373 0.0523 0.0353 8 ASP 28 OD2 0.0341 0.0257 0.0643 9 ASP 28 H -0.0018 0.0075 -0.0304 10 ASP 28 HA 0.0115 0.0214 -0.0059 11 ASP 28 HB2 0.0203 0.0335 0.0058 12 ASP 28 HB3 0.0143 0.0054 0.0276 13 PRO 29 N -0.0242 0.0001 0.0024 14 PRO 29 CA -0.0237 -0.0003 0.0028 15 PRO 29 C -0.0213 -0.0026 0.0056 16 PRO 29 O -0.0182 -0.0026 0.0065 17 PRO 29 CB -0.0216 0.0030 0.0008 18 PRO 29 CG -0.0221 0.0051 -0.0011 19 PRO 29 CD -0.0225 0.0032 0.0003 20 PRO 29 HA -0.0264 -0.0009 0.0024 21 PRO 29 HB2 -0.0187 0.0029 0.0018 22 PRO 29 HB3 -0.0229 0.0035 -0.0001 23 PRO 29 HG2 -0.0197 0.0070 -0.0019 24 PRO 29 HG3 -0.0247 0.0060 -0.0027 25 PRO 29 HD2 -0.0198 0.0033 0.0011 26 PRO 29 HD3 -0.0244 0.0041 -0.0010 27 ASN 30 N 0.0488 -0.0342 -0.0636 28 ASN 30 CA 0.0358 -0.0181 -0.0727 29 ASN 30 C 0.0032 0.0444 -0.1419 30 ASN 30 O -0.0583 0.0936 -0.1271 31 ASN 30 CB -0.0047 -0.0202 0.0104 32 ASN 30 CG -0.0227 -0.0027 0.0082 33 ASN 30 OD1 0.0155 -0.0426 0.0188 34 ASN 30 ND2 -0.0807 0.0557 -0.0031 35 ASN 30 H 0.0938 -0.0758 -0.0628 36 ASN 30 HA 0.0844 -0.0540 -0.0907 37 ASN 30 HB2 0.0250 -0.0675 0.0531 38 ASN 30 HB3 -0.0487 0.0112 0.0291 39 ASN 30 HD21 -0.1101 0.0856 -0.0096 40 ASN 30 HD22 -0.0929 0.0679 -0.0054 41 ALA 31 N 0.0101 0.1488 -0.0755 42 ALA 31 CA 0.0123 0.0587 -0.0187 43 ALA 31 C -0.0091 0.1435 0.0889 44 ALA 31 O -0.0253 0.1488 0.2200 45 ALA 31 CB 0.0176 -0.0822 0.0539 46 ALA 31 H -0.0050 0.2414 -0.0262 47 ALA 31 HA 0.0263 0.0283 -0.1104 48 ALA 31 HB1 0.0198 -0.1488 0.0903 49 ALA 31 HB2 0.0037 -0.0541 0.1465 50 ALA 31 HB3 0.0328 -0.1425 -0.0235 51 GLU 32 N 0.0019 -0.1595 0.0320 52 GLU 32 CA 0.0541 -0.0936 0.0318 53 GLU 32 C 0.0577 -0.0497 0.0188 54 GLU 32 O 0.1079 -0.0007 0.0233 55 GLU 32 CB 0.0321 -0.0454 0.0069 56 GLU 32 CG -0.0420 -0.0166 -0.0331 57 GLU 32 CD -0.0589 0.0331 -0.0564 58 GLU 32 OE1 -0.0382 0.1024 -0.0707 59 GLU 32 OE2 -0.0921 0.0045 -0.0606 60 GLU 32 H -0.0469 -0.1563 0.0110 61 GLU 32 HA 0.1055 -0.1137 0.0595 62 GLU 32 HB2 0.0729 0.0024 0.0079 63 GLU 32 HB3 0.0307 -0.0789 0.0173 64 GLU 32 HG2 -0.0841 -0.0638 -0.0348 65 GLU 32 HG3 -0.0417 0.0151 -0.0434 66 PHE 33 N 0.0124 -0.0063 -0.0043 67 PHE 33 CA 0.0113 0.0003 -0.0064 68 PHE 33 C 0.0100 0.0083 -0.0105 69 PHE 33 O 0.0099 0.0090 -0.0105 70 PHE 33 CB 0.0109 0.0030 0.0023 71 PHE 33 CG 0.0104 0.0058 0.0098 72 PHE 33 CD1 0.0090 0.0143 0.0103 73 PHE 33 CD2 0.0114 -0.0003 0.0163 74 PHE 33 CE1 0.0087 0.0168 0.0170 75 PHE 33 CE2 0.0111 0.0022 0.0230 76 PHE 33 CZ 0.0097 0.0107 0.0234 77 PHE 33 H 0.0123 -0.0056 0.0008 78 PHE 33 HA 0.0118 -0.0025 -0.0110 79 PHE 33 HB2 0.0100 0.0085 0.0009 80 PHE 33 HB3 0.0118 -0.0025 0.0047 81 PHE 33 HD1 0.0083 0.0191 0.0053 82 PHE 33 HD2 0.0125 -0.0069 0.0160 83 PHE 33 HE1 0.0076 0.0235 0.0173 84 PHE 33 HE2 0.0118 -0.0025 0.0280 85 PHE 33 HZ 0.0094 0.0126 0.0287 86 ASP 34 N 0.0067 0.0344 -0.0174 87 ASP 34 CA 0.0008 0.0359 -0.0161 88 ASP 34 C 0.0034 0.0346 -0.0170 89 ASP 34 O 0.0069 0.0294 -0.0196 90 ASP 34 CB -0.0062 0.0315 -0.0175 91 ASP 34 CG -0.0129 0.0334 -0.0160 92 ASP 34 OD1 -0.0132 0.0318 -0.0167 93 ASP 34 OD2 -0.0178 0.0368 -0.0140 94 ASP 34 H 0.0076 0.0295 -0.0196 95 ASP 34 HA -0.0004 0.0412 -0.0136 96 ASP 34 HB2 -0.0076 0.0319 -0.0171 97 ASP 34 HB3 -0.0051 0.0262 -0.0200 98 PRO 35 N -0.0005 0.0150 -0.0051 99 PRO 35 CA -0.0091 -0.0008 -0.0197 100 PRO 35 C -0.0205 -0.0198 -0.0194 101 PRO 35 O -0.0285 -0.0342 -0.0306 102 PRO 35 CB -0.0115 -0.0039 -0.0103 103 PRO 35 CG -0.0107 0.0000 0.0145 104 PRO 35 CD -0.0012 0.0160 0.0168 105 PRO 35 HA -0.0055 0.0035 -0.0369 106 PRO 35 HB2 -0.0202 -0.0186 -0.0141 107 PRO 35 HB3 -0.0050 0.0061 -0.0176 108 PRO 35 HG2 -0.0189 -0.0129 0.0224 109 PRO 35 HG3 -0.0084 0.0046 0.0217 110 PRO 35 HD2 -0.0037 0.0133 0.0306 111 PRO 35 HD3 0.0070 0.0299 0.0193 112 ASP 36 N -0.0191 -0.0327 -0.0129 113 ASP 36 CA -0.0091 -0.0139 -0.0141 114 ASP 36 C -0.0108 0.0066 -0.0101 115 ASP 36 O -0.0124 0.0248 -0.0066 116 ASP 36 CB 0.0135 -0.0176 -0.0240 117 ASP 36 CG 0.0249 0.0017 -0.0257 118 ASP 36 OD1 0.0216 0.0051 -0.0238 119 ASP 36 OD2 0.0375 0.0138 -0.0291 120 ASP 36 H -0.0119 -0.0393 -0.0169 121 ASP 36 HA -0.0169 -0.0121 -0.0106 122 ASP 36 HB2 0.0141 -0.0319 -0.0265 123 ASP 36 HB3 0.0210 -0.0208 -0.0277 124 LEU 37 N -0.0048 -0.0111 -0.0097 125 LEU 37 CA -0.0051 -0.0127 -0.0090 126 LEU 37 C -0.0003 -0.0113 -0.0200 127 LEU 37 O 0.0022 -0.0031 -0.0262 128 LEU 37 CB -0.0090 -0.0044 -0.0008 129 LEU 37 CG -0.0143 -0.0071 0.0114 130 LEU 37 CD1 -0.0152 -0.0193 0.0144 131 LEU 37 CD2 -0.0158 -0.0058 0.0147 132 LEU 37 H -0.0054 -0.0032 -0.0091 133 LEU 37 HA -0.0060 -0.0216 -0.0062 134 LEU 37 HB2 -0.0086 0.0043 -0.0025 135 LEU 37 HB3 -0.0083 -0.0042 -0.0023 136 LEU 37 HG -0.0165 -0.0009 0.0159 137 LEU 37 HD11 -0.0189 -0.0209 0.0229 138 LEU 37 HD12 -0.0129 -0.0259 0.0099 139 LEU 37 HD13 -0.0144 -0.0198 0.0126 140 LEU 37 HD21 -0.0195 -0.0079 0.0232 141 LEU 37 HD22 -0.0154 0.0031 0.0131 142 LEU 37 HD23 -0.0135 -0.0119 0.0101 143 PRO 38 N 0.0015 -0.0123 -0.0106 144 PRO 38 CA 0.0020 -0.0116 -0.0142 145 PRO 38 C 0.0010 -0.0070 -0.0144 146 PRO 38 O -0.0001 -0.0052 -0.0110 147 PRO 38 CB 0.0026 -0.0148 -0.0130 148 PRO 38 CG 0.0028 -0.0182 -0.0099 149 PRO 38 CD 0.0018 -0.0158 -0.0074 150 PRO 38 HA 0.0028 -0.0124 -0.0173 151 PRO 38 HB2 0.0019 -0.0131 -0.0114 152 PRO 38 HB3 0.0035 -0.0163 -0.0159 153 PRO 38 HG2 0.0027 -0.0195 -0.0077 154 PRO 38 HG3 0.0038 -0.0207 -0.0117 155 PRO 38 HD2 0.0009 -0.0145 -0.0045 156 PRO 38 HD3 0.0021 -0.0180 -0.0066 157 GLY 39 N 0.0038 -0.0136 -0.0038 158 GLY 39 CA 0.0041 -0.0103 -0.0043 159 GLY 39 C 0.0051 -0.0095 -0.0022 160 GLY 39 O 0.0058 -0.0067 -0.0016 161 GLY 39 H 0.0029 -0.0152 -0.0052 162 GLY 39 HA2 0.0032 -0.0099 -0.0066 163 GLY 39 HA3 0.0045 -0.0087 -0.0040 164 GLY 40 N 0.0042 0.0016 -0.0116 165 GLY 40 CA 0.0045 0.0028 -0.0097 166 GLY 40 C 0.0032 0.0022 -0.0109 167 GLY 40 O 0.0036 0.0029 -0.0097 168 GLY 40 H 0.0026 0.0020 -0.0113 169 GLY 40 HA2 0.0031 0.0041 -0.0080 170 GLY 40 HA3 0.0069 0.0029 -0.0090 171 GLY 41 N 0.0025 -0.0008 -0.0068 172 GLY 41 CA 0.0030 -0.0008 -0.0078 173 GLY 41 C 0.0047 -0.0012 -0.0084 174 GLY 41 O 0.0054 -0.0013 -0.0091 175 GLY 41 H 0.0017 -0.0006 -0.0072 176 GLY 41 HA2 0.0021 -0.0006 -0.0088 177 GLY 41 HA3 0.0028 -0.0009 -0.0071 178 LEU 42 N 0.0149 -0.0006 -0.0090 179 LEU 42 CA 0.0134 -0.0129 -0.0077 180 LEU 42 C 0.0119 -0.0091 -0.0036 181 LEU 42 O 0.0112 -0.0181 -0.0038 182 LEU 42 CB 0.0082 -0.0222 0.0025 183 LEU 42 CG 0.0089 -0.0272 -0.0001 184 LEU 42 CD1 0.0034 -0.0361 0.0110 185 LEU 42 CD2 0.0138 -0.0355 -0.0130 186 LEU 42 H 0.0117 0.0030 -0.0011 187 LEU 42 HA 0.0168 -0.0188 -0.0168 188 LEU 42 HB2 0.0047 -0.0162 0.0116 189 LEU 42 HB3 0.0071 -0.0312 0.0033 190 LEU 42 HG 0.0098 -0.0181 -0.0005 191 LEU 42 HD11 0.0040 -0.0397 0.0090 192 LEU 42 HD12 0.0022 -0.0451 0.0120 193 LEU 42 HD13 0.0000 -0.0298 0.0199 194 LEU 42 HD21 0.0130 -0.0445 -0.0128 195 LEU 42 HD22 0.0141 -0.0391 -0.0144 196 LEU 42 HD23 0.0178 -0.0288 -0.0208 197 HIS 43 N 0.0082 -0.0016 0.0022 198 HIS 43 CA 0.0073 0.0014 0.0033 199 HIS 43 C 0.0101 0.0020 0.0050 200 HIS 43 O 0.0109 0.0009 0.0048 201 HIS 43 CB 0.0047 0.0016 0.0022 202 HIS 43 CG 0.0019 0.0006 0.0003 203 HIS 43 ND1 -0.0003 0.0025 0.0002 204 HIS 43 CD2 0.0009 -0.0020 -0.0015 205 HIS 43 CE1 -0.0025 0.0011 -0.0016 206 HIS 43 NE2 -0.0018 -0.0017 -0.0026 207 HIS 43 H 0.0091 -0.0033 0.0018 208 HIS 43 HA 0.0067 0.0031 0.0038 209 HIS 43 HB2 0.0055 0.0003 0.0019 210 HIS 43 HB3 0.0041 0.0039 0.0030 211 HIS 43 HD1 -0.0003 0.0046 0.0013 212 HIS 43 HD2 0.0021 -0.0041 -0.0019 213 HIS 43 HE1 -0.0046 0.0021 -0.0020 214 HIS 43 HE2 -0.0029 -0.0033 -0.0040 215 ARG 44 N 0.0041 0.0044 0.0145 216 ARG 44 CA 0.0064 0.0072 0.0131 217 ARG 44 C 0.0062 0.0079 0.0140 218 ARG 44 O 0.0047 0.0056 0.0145 219 ARG 44 CB 0.0082 0.0060 0.0094 220 ARG 44 CG 0.0084 0.0042 0.0078 221 ARG 44 CD 0.0101 0.0028 0.0041 222 ARG 44 NE 0.0102 0.0008 0.0023 223 ARG 44 CZ 0.0118 -0.0003 -0.0010 224 ARG 44 NH1 0.0133 0.0003 -0.0029 225 ARG 44 NH2 0.0119 -0.0020 -0.0024 226 ARG 44 H 0.0033 0.0021 0.0142 227 ARG 44 HA 0.0071 0.0095 0.0138 228 ARG 44 HB2 0.0078 0.0043 0.0087 229 ARG 44 HB3 0.0100 0.0083 0.0084 230 ARG 44 HG2 0.0090 0.0061 0.0082 231 ARG 44 HG3 0.0066 0.0020 0.0089 232 ARG 44 HD2 0.0095 0.0011 0.0037 233 ARG 44 HD3 0.0118 0.0051 0.0030 234 ARG 44 HE 0.0091 0.0003 0.0037 235 ARG 44 HH11 0.0134 0.0016 -0.0019 236 ARG 44 HH12 0.0145 -0.0005 -0.0054 237 ARG 44 HH21 0.0107 -0.0026 -0.0011 238 ARG 44 HH22 0.0130 -0.0029 -0.0049 239 CYS 45 N 0.0053 0.0046 0.0140 240 CYS 45 CA 0.0037 -0.0009 0.0107 241 CYS 45 C -0.0020 0.0005 0.0075 242 CYS 45 O -0.0052 0.0039 0.0069 243 CYS 45 CB 0.0044 -0.0034 0.0101 244 CYS 45 SG 0.0014 -0.0098 0.0055 245 CYS 45 H 0.0045 0.0077 0.0148 246 CYS 45 HA 0.0059 -0.0038 0.0109 247 CYS 45 HB2 0.0086 -0.0048 0.0123 248 CYS 45 HB3 0.0030 -0.0001 0.0106 249 LEU 46 N 0.0025 -0.0110 0.0005 250 LEU 46 CA -0.0160 -0.0067 -0.0032 251 LEU 46 C -0.0328 -0.0158 -0.0162 252 LEU 46 O -0.0512 -0.0080 -0.0173 253 LEU 46 CB -0.0103 -0.0116 -0.0047 254 LEU 46 CG 0.0053 -0.0022 0.0082 255 LEU 46 CD1 0.0111 -0.0091 0.0052 256 LEU 46 CD2 -0.0028 0.0177 0.0201 257 LEU 46 H 0.0152 -0.0180 0.0000 258 LEU 46 HA -0.0219 0.0074 0.0053 259 LEU 46 HB2 -0.0042 -0.0257 -0.0130 260 LEU 46 HB3 -0.0242 -0.0086 -0.0076 261 LEU 46 HG 0.0188 -0.0050 0.0112 262 LEU 46 HD11 0.0183 -0.0230 -0.0026 263 LEU 46 HD12 0.0218 -0.0019 0.0146 264 LEU 46 HD13 -0.0027 -0.0074 0.0013 265 LEU 46 HD21 -0.0054 0.0227 0.0229 266 LEU 46 HD22 -0.0171 0.0207 0.0171 267 LEU 46 HD23 0.0085 0.0239 0.0290 268 ALA 47 N -0.0164 -0.0090 0.0056 269 ALA 47 CA -0.0218 -0.0146 0.0017 270 ALA 47 C -0.0266 -0.0160 0.0018 271 ALA 47 O -0.0326 -0.0198 -0.0002 272 ALA 47 CB -0.0173 -0.0195 -0.0042 273 ALA 47 H -0.0108 -0.0089 0.0041 274 ALA 47 HA -0.0258 -0.0144 0.0030 275 ALA 47 HB1 -0.0214 -0.0237 -0.0070 276 ALA 47 HB2 -0.0134 -0.0199 -0.0056 277 ALA 47 HB3 -0.0140 -0.0186 -0.0042 278 CYS 48 N -0.0308 -0.0103 -0.0018 279 CYS 48 CA -0.0296 -0.0024 -0.0001 280 CYS 48 C -0.0332 0.0138 0.0006 281 CYS 48 O -0.0348 0.0213 0.0010 282 CYS 48 CB -0.0156 -0.0056 0.0056 283 CYS 48 SG -0.0131 -0.0238 0.0041 284 CYS 48 H -0.0250 -0.0084 0.0010 285 CYS 48 HA -0.0371 -0.0067 -0.0040 286 CYS 48 HB2 -0.0066 -0.0043 0.0098 287 CYS 48 HB3 -0.0152 0.0004 0.0066 288 ALA 49 N -0.0259 0.0122 -0.0120 289 ALA 49 CA -0.0270 0.0301 -0.0216 290 ALA 49 C -0.0138 0.0480 -0.0054 291 ALA 49 O -0.0124 0.0682 -0.0114 292 ALA 49 CB -0.0357 0.0433 -0.0428 293 ALA 49 H -0.0295 -0.0048 -0.0112 294 ALA 49 HA -0.0312 0.0201 -0.0249 295 ALA 49 HB1 -0.0316 0.0532 -0.0396 296 ALA 49 HB2 -0.0449 0.0302 -0.0538 297 ALA 49 HB3 -0.0368 0.0556 -0.0499 298 ARG 50 N -0.0226 0.0260 -0.0052 299 ARG 50 CA -0.0050 0.0392 0.0069 300 ARG 50 C 0.0123 0.0432 0.0173 301 ARG 50 O 0.0173 0.0270 0.0176 302 ARG 50 CB 0.0055 0.0253 0.0106 303 ARG 50 CG -0.0104 0.0221 0.0011 304 ARG 50 CD 0.0012 0.0083 0.0055 305 ARG 50 NE -0.0140 0.0044 -0.0037 306 ARG 50 CZ -0.0084 -0.0090 -0.0027 307 ARG 50 NH1 0.0122 -0.0190 0.0074 308 ARG 50 NH2 -0.0233 -0.0119 -0.0117 309 ARG 50 H -0.0200 0.0080 -0.0066 310 ARG 50 HA -0.0121 0.0575 0.0057 311 ARG 50 HB2 0.0122 0.0068 0.0115 312 ARG 50 HB3 0.0190 0.0357 0.0199 313 ARG 50 HG2 -0.0169 0.0405 0.0004 314 ARG 50 HG3 -0.0240 0.0116 -0.0083 315 ARG 50 HD2 0.0081 -0.0100 0.0065 316 ARG 50 HD3 0.0145 0.0191 0.0148 317 ARG 50 HE -0.0291 0.0126 -0.0110 318 ARG 50 HH11 0.0241 -0.0171 0.0145 319 ARG 50 HH12 0.0172 -0.0290 0.0086 320 ARG 50 HH21 -0.0391 -0.0043 -0.0194 321 ARG 50 HH22 -0.0195 -0.0222 -0.0112 322 TYR 51 N -0.0022 0.0068 0.0023 323 TYR 51 CA -0.0004 0.0073 0.0041 324 TYR 51 C 0.0007 0.0072 0.0047 325 TYR 51 O -0.0004 0.0079 0.0049 326 TYR 51 CB -0.0014 0.0092 0.0056 327 TYR 51 CG -0.0027 0.0094 0.0049 328 TYR 51 CD1 -0.0050 0.0100 0.0039 329 TYR 51 CD2 -0.0017 0.0092 0.0054 330 TYR 51 CE1 -0.0062 0.0102 0.0033 331 TYR 51 CE2 -0.0029 0.0094 0.0048 332 TYR 51 CZ -0.0052 0.0100 0.0037 333 TYR 51 OH -0.0064 0.0102 0.0032 334 TYR 51 H -0.0035 0.0078 0.0025 335 TYR 51 HA 0.0007 0.0064 0.0039 336 TYR 51 HB2 -0.0025 0.0101 0.0058 337 TYR 51 HB3 -0.0000 0.0095 0.0069 338 TYR 51 HD1 -0.0058 0.0102 0.0035 339 TYR 51 HD2 0.0001 0.0088 0.0062 340 TYR 51 HE1 -0.0080 0.0106 0.0025 341 TYR 51 HE2 -0.0021 0.0092 0.0051 342 TYR 51 HH -0.0078 0.0113 0.0034 343 PHE 52 N 0.0089 0.0012 0.0039 344 PHE 52 CA 0.0083 0.0011 0.0019 345 PHE 52 C 0.0071 0.0011 -0.0012 346 PHE 52 O 0.0061 0.0023 -0.0015 347 PHE 52 CB 0.0070 0.0034 0.0030 348 PHE 52 CG 0.0080 0.0035 0.0061 349 PHE 52 CD1 0.0081 0.0046 0.0086 350 PHE 52 CD2 0.0088 0.0026 0.0065 351 PHE 52 CE1 0.0091 0.0047 0.0114 352 PHE 52 CE2 0.0098 0.0027 0.0093 353 PHE 52 CZ 0.0099 0.0038 0.0117 354 PHE 52 H 0.0080 0.0027 0.0043 355 PHE 52 HA 0.0096 -0.0006 0.0019 356 PHE 52 HB2 0.0057 0.0051 0.0029 357 PHE 52 HB3 0.0065 0.0032 0.0014 358 PHE 52 HD1 0.0075 0.0053 0.0083 359 PHE 52 HD2 0.0087 0.0018 0.0045 360 PHE 52 HE1 0.0092 0.0056 0.0133 361 PHE 52 HE2 0.0104 0.0020 0.0096 362 PHE 52 HZ 0.0106 0.0039 0.0140 363 ILE 53 N 0.0069 -0.0042 -0.0085 364 ILE 53 CA -0.0001 -0.0144 -0.0002 365 ILE 53 C 0.0016 -0.0187 0.0016 366 ILE 53 O 0.0017 -0.0297 0.0078 367 ILE 53 CB -0.0152 -0.0110 0.0033 368 ILE 53 CG1 -0.0217 0.0008 -0.0011 369 ILE 53 CG2 -0.0174 -0.0095 0.0032 370 ILE 53 CD1 -0.0367 0.0046 0.0022 371 ILE 53 H 0.0014 0.0036 -0.0110 372 ILE 53 HA 0.0041 -0.0221 0.0026 373 ILE 53 HB -0.0198 -0.0188 0.0093 374 ILE 53 HG12 -0.0169 0.0085 -0.0072 375 ILE 53 HG13 -0.0200 -0.0009 -0.0007 376 ILE 53 HG21 -0.0122 -0.0022 -0.0028 377 ILE 53 HG22 -0.0134 -0.0181 0.0067 378 ILE 53 HG23 -0.0280 -0.0070 0.0056 379 ILE 53 HD11 -0.0418 -0.0028 0.0082 380 ILE 53 HD12 -0.0403 0.0130 -0.0013 381 ILE 53 HD13 -0.0385 0.0062 0.0019 382 ASP 54 N 0.0085 -0.0095 -0.0087 383 ASP 54 CA 0.0071 -0.0049 -0.0108 384 ASP 54 C 0.0068 -0.0016 -0.0077 385 ASP 54 O 0.0076 -0.0033 -0.0051 386 ASP 54 CB 0.0065 -0.0055 -0.0159 387 ASP 54 CG 0.0051 -0.0010 -0.0186 388 ASP 54 OD1 0.0045 0.0004 -0.0206 389 ASP 54 OD2 0.0045 0.0013 -0.0187 390 ASP 54 H 0.0091 -0.0106 -0.0068 391 ASP 54 HA 0.0068 -0.0034 -0.0110 392 ASP 54 HB2 0.0068 -0.0080 -0.0180 393 ASP 54 HB3 0.0069 -0.0069 -0.0158 394 SER 55 N 0.0048 -0.0026 -0.0065 395 SER 55 CA 0.0031 -0.0004 -0.0032 396 SER 55 C 0.0033 0.0002 -0.0011 397 SER 55 O 0.0035 0.0011 0.0024 398 SER 55 CB -0.0005 0.0017 -0.0045 399 SER 55 OG -0.0024 0.0039 -0.0014 400 SER 55 H 0.0034 -0.0025 -0.0090 401 SER 55 HA 0.0044 -0.0006 -0.0012 402 SER 55 HB2 -0.0005 0.0013 -0.0056 403 SER 55 HB3 -0.0018 0.0018 -0.0068 404 SER 55 HG -0.0034 0.0047 -0.0012 405 THR 56 N -0.0013 -0.0084 -0.0047 406 THR 56 CA -0.0021 -0.0044 0.0020 407 THR 56 C 0.0041 0.0010 0.0028 408 THR 56 O 0.0046 0.0042 0.0069 409 THR 56 CB -0.0048 -0.0044 0.0051 410 THR 56 OG1 -0.0101 -0.0096 0.0036 411 THR 56 CG2 -0.0064 -0.0008 0.0123 412 THR 56 H -0.0022 -0.0103 -0.0065 413 THR 56 HA -0.0051 -0.0052 0.0043 414 THR 56 HB -0.0013 -0.0031 0.0031 415 THR 56 HG1 -0.0087 -0.0114 -0.0006 416 THR 56 HG21 -0.0082 -0.0009 0.0143 417 THR 56 HG22 -0.0097 -0.0021 0.0143 418 THR 56 HG23 -0.0023 0.0031 0.0134 419 ASN 57 N 0.0044 0.0037 -0.0076 420 ASN 57 CA 0.0063 -0.0010 -0.0043 421 ASN 57 C 0.0080 0.0012 0.0025 422 ASN 57 O 0.0090 0.0001 0.0052 423 ASN 57 CB 0.0072 -0.0076 -0.0047 424 ASN 57 CG 0.0061 -0.0116 -0.0108 425 ASN 57 OD1 0.0066 -0.0154 -0.0110 426 ASN 57 ND2 0.0045 -0.0108 -0.0156 427 ASN 57 H 0.0043 0.0025 -0.0088 428 ASN 57 HA 0.0057 -0.0016 -0.0065 429 ASN 57 HB2 0.0071 -0.0065 -0.0046 430 ASN 57 HB3 0.0089 -0.0103 -0.0007 431 ASN 57 HD21 0.0040 -0.0077 -0.0154 432 ASN 57 HD22 0.0037 -0.0133 -0.0195 433 LEU 58 N 0.0090 -0.0006 0.0055 434 LEU 58 CA 0.0098 0.0002 0.0072 435 LEU 58 C 0.0102 0.0019 0.0064 436 LEU 58 O 0.0104 0.0019 0.0070 437 LEU 58 CB 0.0105 0.0008 0.0088 438 LEU 58 CG 0.0115 0.0020 0.0106 439 LEU 58 CD1 0.0121 0.0043 0.0099 440 LEU 58 CD2 0.0115 0.0011 0.0116 441 LEU 58 H 0.0090 -0.0004 0.0053 442 LEU 58 HA 0.0096 -0.0011 0.0080 443 LEU 58 HB2 0.0102 -0.0006 0.0095 444 LEU 58 HB3 0.0106 0.0017 0.0079 445 LEU 58 HG 0.0119 0.0020 0.0118 446 LEU 58 HD11 0.0128 0.0051 0.0113 447 LEU 58 HD12 0.0118 0.0045 0.0087 448 LEU 58 HD13 0.0122 0.0049 0.0094 449 LEU 58 HD21 0.0112 0.0012 0.0105 450 LEU 58 HD22 0.0122 0.0019 0.0129 451 LEU 58 HD23 0.0111 -0.0005 0.0122 452 LYS 59 N 0.0115 0.0009 0.0006 453 LYS 59 CA 0.0105 0.0031 0.0017 454 LYS 59 C 0.0090 0.0098 0.0037 455 LYS 59 O 0.0103 0.0134 0.0032 456 LYS 59 CB 0.0067 -0.0013 0.0040 457 LYS 59 CG 0.0015 -0.0020 0.0079 458 LYS 59 CD -0.0018 -0.0068 0.0099 459 LYS 59 CE -0.0029 -0.0049 0.0109 460 LYS 59 NZ -0.0057 0.0007 0.0138 461 LYS 59 H 0.0096 -0.0027 0.0016 462 LYS 59 HA 0.0140 0.0032 -0.0010 463 LYS 59 HB2 0.0063 0.0003 0.0046 464 LYS 59 HB3 0.0080 -0.0059 0.0024 465 LYS 59 HG2 0.0019 -0.0034 0.0074 466 LYS 59 HG3 -0.0000 0.0024 0.0097 467 LYS 59 HD2 -0.0000 -0.0111 0.0079 468 LYS 59 HD3 -0.0053 -0.0076 0.0124 469 LYS 59 HE2 0.0005 -0.0040 0.0084 470 LYS 59 HE3 -0.0051 -0.0087 0.0121 471 LYS 59 HZ1 -0.0091 -0.0002 0.0164 472 LYS 59 HZ2 -0.0063 0.0018 0.0145 473 LYS 59 HZ3 -0.0039 0.0045 0.0130 474 THR 60 N 0.0064 -0.0008 0.0052 475 THR 60 CA 0.0040 0.0047 0.0053 476 THR 60 C 0.0040 0.0091 -0.0010 477 THR 60 O 0.0033 0.0124 -0.0034 478 THR 60 CB 0.0007 0.0081 0.0113 479 THR 60 OG1 0.0008 0.0039 0.0172 480 THR 60 CG2 -0.0018 0.0139 0.0116 481 THR 60 H 0.0058 -0.0015 0.0083 482 THR 60 HA 0.0046 0.0031 0.0057 483 THR 60 HB 0.0003 0.0095 0.0108 484 THR 60 HG1 0.0020 0.0009 0.0175 485 THR 60 HG21 -0.0041 0.0161 0.0158 486 THR 60 HG22 -0.0013 0.0124 0.0119 487 THR 60 HG23 -0.0019 0.0170 0.0072 488 HIS 61 N 0.0123 -0.0030 -0.0017 489 HIS 61 CA 0.0094 -0.0045 -0.0005 490 HIS 61 C 0.0105 -0.0043 -0.0017 491 HIS 61 O 0.0084 -0.0061 -0.0025 492 HIS 61 CB 0.0078 -0.0039 0.0039 493 HIS 61 CG 0.0058 -0.0046 0.0057 494 HIS 61 ND1 0.0026 -0.0071 0.0051 495 HIS 61 CD2 0.0067 -0.0031 0.0080 496 HIS 61 CE1 0.0016 -0.0070 0.0068 497 HIS 61 NE2 0.0040 -0.0047 0.0086 498 HIS 61 H 0.0131 -0.0016 0.0004 499 HIS 61 HA 0.0075 -0.0065 -0.0021 500 HIS 61 HB2 0.0061 -0.0049 0.0044 501 HIS 61 HB3 0.0099 -0.0018 0.0055 502 HIS 61 HD1 0.0012 -0.0087 0.0035 503 HIS 61 HD2 0.0090 -0.0010 0.0091 504 HIS 61 HE1 -0.0006 -0.0085 0.0070 505 PHE 62 N 0.0080 -0.0010 -0.0081 506 PHE 62 CA 0.0096 0.0000 -0.0090 507 PHE 62 C 0.0096 0.0003 -0.0127 508 PHE 62 O 0.0110 0.0013 -0.0139 509 PHE 62 CB 0.0125 0.0018 -0.0077 510 PHE 62 CG 0.0128 0.0017 -0.0042 511 PHE 62 CD1 0.0115 0.0007 -0.0020 512 PHE 62 CD2 0.0144 0.0026 -0.0030 513 PHE 62 CE1 0.0118 0.0006 0.0012 514 PHE 62 CE2 0.0147 0.0025 0.0002 515 PHE 62 CZ 0.0134 0.0015 0.0024 516 PHE 62 H 0.0089 -0.0005 -0.0076 517 PHE 62 HA 0.0086 -0.0007 -0.0082 518 PHE 62 HB2 0.0138 0.0026 -0.0089 519 PHE 62 HB3 0.0133 0.0022 -0.0081 520 PHE 62 HD1 0.0102 -0.0000 -0.0029 521 PHE 62 HD2 0.0155 0.0034 -0.0047 522 PHE 62 HE1 0.0107 -0.0002 0.0028 523 PHE 62 HE2 0.0160 0.0032 0.0011 524 PHE 62 HZ 0.0137 0.0015 0.0049 525 ARG 63 N 0.0160 0.0039 -0.0244 526 ARG 63 CA 0.0126 0.0098 -0.0236 527 ARG 63 C 0.0139 0.0189 -0.0292 528 ARG 63 O 0.0111 0.0249 -0.0291 529 ARG 63 CB 0.0051 0.0108 -0.0162 530 ARG 63 CG 0.0037 0.0021 -0.0107 531 ARG 63 CD -0.0039 0.0033 -0.0034 532 ARG 63 NE -0.0075 0.0103 -0.0029 533 ARG 63 CZ -0.0140 0.0117 0.0031 534 ARG 63 NH1 -0.0175 0.0064 0.0093 535 ARG 63 NH2 -0.0168 0.0184 0.0030 536 ARG 63 H 0.0134 0.0028 -0.0211 537 ARG 63 HA 0.0150 0.0067 -0.0246 538 ARG 63 HB2 0.0028 0.0129 -0.0149 539 ARG 63 HB3 0.0027 0.0157 -0.0160 540 ARG 63 HG2 0.0058 0.0001 -0.0120 541 ARG 63 HG3 0.0061 -0.0029 -0.0109 542 ARG 63 HD2 -0.0046 -0.0029 0.0002 543 ARG 63 HD3 -0.0060 0.0050 -0.0021 544 ARG 63 HE -0.0050 0.0141 -0.0074 545 ARG 63 HH11 -0.0155 0.0011 0.0096 546 ARG 63 HH12 -0.0224 0.0073 0.0139 547 ARG 63 HH21 -0.0143 0.0225 -0.0016 548 ARG 63 HH22 -0.0217 0.0199 0.0073 549 SER 64 N 0.0048 -0.0084 -0.0180 550 SER 64 CA 0.0034 -0.0136 -0.0137 551 SER 64 C 0.0026 -0.0087 -0.0092 552 SER 64 O 0.0016 -0.0048 -0.0037 553 SER 64 CB 0.0018 -0.0178 -0.0083 554 SER 64 OG 0.0025 -0.0208 -0.0121 555 SER 64 H 0.0045 -0.0066 -0.0160 556 SER 64 HA 0.0040 -0.0176 -0.0173 557 SER 64 HB2 0.0010 -0.0138 -0.0040 558 SER 64 HB3 0.0009 -0.0224 -0.0058 559 SER 64 HG 0.0029 -0.0251 -0.0151 560 LYS 65 N -0.0010 0.0051 0.0224 561 LYS 65 CA -0.0004 -0.0108 0.0109 562 LYS 65 C -0.0058 -0.0077 -0.0093 563 LYS 65 O -0.0058 -0.0200 -0.0200 564 LYS 65 CB 0.0027 -0.0197 0.0165 565 LYS 65 CG 0.0006 -0.0071 0.0186 566 LYS 65 CD -0.0052 0.0010 0.0011 567 LYS 65 CE -0.0070 0.0133 0.0040 568 LYS 65 NZ -0.0127 0.0222 -0.0126 569 LYS 65 H -0.0000 0.0104 0.0311 570 LYS 65 HA 0.0021 -0.0205 0.0133 571 LYS 65 HB2 0.0025 -0.0301 0.0065 572 LYS 65 HB3 0.0070 -0.0261 0.0291 573 LYS 65 HG2 0.0034 -0.0148 0.0237 574 LYS 65 HG3 0.0007 0.0037 0.0284 575 LYS 65 HD2 -0.0080 0.0088 -0.0042 576 LYS 65 HD3 -0.0051 -0.0099 -0.0084 577 LYS 65 HE2 -0.0043 0.0051 0.0084 578 LYS 65 HE3 -0.0066 0.0235 0.0144 579 LYS 65 HZ1 -0.0132 0.0128 -0.0230 580 LYS 65 HZ2 -0.0155 0.0306 -0.0171 581 LYS 65 HZ3 -0.0138 0.0302 -0.0102 582 ASP 66 N -0.0024 -0.0052 -0.0021 583 ASP 66 CA 0.0030 -0.0047 -0.0007 584 ASP 66 C 0.0041 -0.0080 -0.0053 585 ASP 66 O 0.0063 -0.0076 -0.0045 586 ASP 66 CB 0.0090 -0.0043 0.0006 587 ASP 66 CG 0.0144 -0.0032 0.0030 588 ASP 66 OD1 0.0149 0.0002 0.0079 589 ASP 66 OD2 0.0183 -0.0055 0.0001 590 ASP 66 H -0.0015 -0.0057 -0.0027 591 ASP 66 HA 0.0017 -0.0023 0.0027 592 ASP 66 HB2 0.0078 -0.0023 0.0033 593 ASP 66 HB3 0.0105 -0.0069 -0.0029 594 HIS 67 N -0.0037 -0.0127 -0.0070 595 HIS 67 CA -0.0033 -0.0120 -0.0033 596 HIS 67 C -0.0011 -0.0085 -0.0020 597 HIS 67 O -0.0008 -0.0078 0.0013 598 HIS 67 CB -0.0037 -0.0125 -0.0039 599 HIS 67 CG -0.0035 -0.0121 -0.0005 600 HIS 67 ND1 -0.0042 -0.0129 0.0032 601 HIS 67 CD2 -0.0034 -0.0119 -0.0003 602 HIS 67 CE1 -0.0046 -0.0134 0.0054 603 HIS 67 NE2 -0.0041 -0.0129 0.0034 604 HIS 67 H -0.0040 -0.0133 -0.0094 605 HIS 67 HA -0.0044 -0.0135 -0.0010 606 HIS 67 HB2 -0.0053 -0.0150 -0.0047 607 HIS 67 HB3 -0.0025 -0.0109 -0.0061 608 HIS 67 HD1 -0.0044 -0.0132 0.0041 609 HIS 67 HD2 -0.0026 -0.0107 -0.0027 610 HIS 67 HE1 -0.0051 -0.0141 0.0085 611 LYS 68 N 0.0013 -0.0054 0.0001 612 LYS 68 CA 0.0006 -0.0033 0.0004 613 LYS 68 C 0.0003 -0.0027 0.0024 614 LYS 68 O -0.0002 -0.0014 0.0034 615 LYS 68 CB 0.0002 -0.0023 -0.0014 616 LYS 68 CG 0.0005 -0.0030 -0.0034 617 LYS 68 CD 0.0001 -0.0020 -0.0053 618 LYS 68 CE 0.0003 -0.0023 -0.0055 619 LYS 68 NZ -0.0001 -0.0014 -0.0074 620 LYS 68 H 0.0014 -0.0058 -0.0010 621 LYS 68 HA 0.0005 -0.0031 0.0006 622 LYS 68 HB2 0.0003 -0.0025 -0.0015 623 LYS 68 HB3 -0.0003 -0.0008 -0.0013 624 LYS 68 HG2 0.0005 -0.0031 -0.0034 625 LYS 68 HG3 0.0010 -0.0046 -0.0036 626 LYS 68 HD2 -0.0004 -0.0004 -0.0051 627 LYS 68 HD3 0.0003 -0.0025 -0.0067 628 LYS 68 HE2 0.0008 -0.0039 -0.0056 629 LYS 68 HE3 0.0000 -0.0017 -0.0042 630 LYS 68 HZ1 -0.0006 0.0001 -0.0073 631 LYS 68 HZ2 0.0001 -0.0017 -0.0075 632 LYS 68 HZ3 0.0002 -0.0020 -0.0087 633 LYS 69 N 0.0045 -0.0075 -0.0012 634 LYS 69 CA 0.0053 -0.0067 -0.0024 635 LYS 69 C 0.0063 -0.0070 -0.0026 636 LYS 69 O 0.0076 -0.0070 -0.0032 637 LYS 69 CB 0.0042 -0.0054 -0.0030 638 LYS 69 CG 0.0047 -0.0044 -0.0041 639 LYS 69 CD 0.0034 -0.0032 -0.0044 640 LYS 69 CE 0.0037 -0.0021 -0.0056 641 LYS 69 NZ 0.0023 -0.0011 -0.0057 642 LYS 69 H 0.0034 -0.0072 -0.0010 643 LYS 69 HA 0.0060 -0.0067 -0.0027 644 LYS 69 HB2 0.0038 -0.0051 -0.0030 645 LYS 69 HB3 0.0033 -0.0055 -0.0024 646 LYS 69 HG2 0.0052 -0.0047 -0.0041 647 LYS 69 HG3 0.0056 -0.0042 -0.0047 648 LYS 69 HD2 0.0029 -0.0030 -0.0044 649 LYS 69 HD3 0.0026 -0.0035 -0.0038 650 LYS 69 HE2 0.0042 -0.0023 -0.0056 651 LYS 69 HE3 0.0044 -0.0018 -0.0062 652 LYS 69 HZ1 0.0024 -0.0003 -0.0065 653 LYS 69 HZ2 0.0015 -0.0014 -0.0051 654 LYS 69 HZ3 0.0017 -0.0009 -0.0057 655 ARG 70 N 0.0019 -0.0021 0.0075 656 ARG 70 CA 0.0030 -0.0011 0.0024 657 ARG 70 C 0.0040 -0.0064 0.0010 658 ARG 70 O 0.0053 -0.0076 -0.0038 659 ARG 70 CB 0.0023 0.0040 0.0030 660 ARG 70 CG 0.0035 0.0057 -0.0023 661 ARG 70 CD 0.0044 0.0072 -0.0069 662 ARG 70 NE 0.0055 0.0086 -0.0121 663 ARG 70 CZ 0.0068 0.0078 -0.0171 664 ARG 70 NH1 0.0071 0.0056 -0.0175 665 ARG 70 NH2 0.0077 0.0093 -0.0217 666 ARG 70 H 0.0009 -0.0001 0.0109 667 ARG 70 HA 0.0037 -0.0001 -0.0008 668 ARG 70 HB2 0.0016 0.0075 0.0047 669 ARG 70 HB3 0.0018 0.0027 0.0060 670 ARG 70 HG2 0.0029 0.0093 -0.0016 671 ARG 70 HG3 0.0042 0.0022 -0.0037 672 ARG 70 HD2 0.0049 0.0037 -0.0075 673 ARG 70 HD3 0.0037 0.0108 -0.0056 674 ARG 70 HE 0.0052 0.0103 -0.0119 675 ARG 70 HH11 0.0065 0.0044 -0.0142 676 ARG 70 HH12 0.0081 0.0049 -0.0212 677 ARG 70 HH21 0.0075 0.0110 -0.0214 678 ARG 70 HH22 0.0087 0.0088 -0.0255 679 LEU 71 N -0.0015 -0.0017 0.0016 680 LEU 71 CA -0.0001 -0.0008 0.0032 681 LEU 71 C 0.0017 0.0012 0.0032 682 LEU 71 O 0.0029 0.0018 0.0051 683 LEU 71 CB -0.0004 -0.0007 0.0023 684 LEU 71 CG -0.0021 -0.0027 0.0022 685 LEU 71 CD1 -0.0021 -0.0023 0.0015 686 LEU 71 CD2 -0.0026 -0.0041 0.0047 687 LEU 71 H -0.0023 -0.0019 0.0001 688 LEU 71 HA -0.0003 -0.0017 0.0051 689 LEU 71 HB2 -0.0002 0.0002 0.0005 690 LEU 71 HB3 0.0007 -0.0000 0.0035 691 LEU 71 HG -0.0032 -0.0033 0.0008 692 LEU 71 HD11 -0.0011 -0.0017 0.0029 693 LEU 71 HD12 -0.0018 -0.0013 -0.0003 694 LEU 71 HD13 -0.0034 -0.0037 0.0014 695 LEU 71 HD21 -0.0027 -0.0045 0.0051 696 LEU 71 HD22 -0.0015 -0.0036 0.0062 697 LEU 71 HD23 -0.0038 -0.0055 0.0046 698 LYS 72 N 0.0010 0.0010 0.0024 699 LYS 72 CA 0.0013 0.0007 0.0021 700 LYS 72 C 0.0009 0.0006 0.0019 701 LYS 72 O 0.0010 0.0006 0.0019 702 LYS 72 CB 0.0016 0.0004 0.0018 703 LYS 72 CG 0.0019 0.0001 0.0014 704 LYS 72 CD 0.0022 -0.0002 0.0011 705 LYS 72 CE 0.0025 -0.0004 0.0008 706 LYS 72 NZ 0.0028 -0.0007 0.0005 707 LYS 72 H 0.0010 0.0010 0.0024 708 LYS 72 HA 0.0016 0.0008 0.0023 709 LYS 72 HB2 0.0019 0.0005 0.0019 710 LYS 72 HB3 0.0013 0.0003 0.0016 711 LYS 72 HG2 0.0016 0.0000 0.0012 712 LYS 72 HG3 0.0022 0.0002 0.0016 713 LYS 72 HD2 0.0025 -0.0001 0.0013 714 LYS 72 HD3 0.0019 -0.0002 0.0009 715 LYS 72 HE2 0.0022 -0.0005 0.0006 716 LYS 72 HE3 0.0028 -0.0003 0.0010 717 LYS 72 HZ1 0.0026 -0.0008 0.0003 718 LYS 72 HZ2 0.0031 -0.0006 0.0007 719 LYS 72 HZ3 0.0031 -0.0009 0.0003 720 GLN 73 N 0.0015 -0.0041 -0.0013 721 GLN 73 CA -0.0003 -0.0043 -0.0027 722 GLN 73 C -0.0021 -0.0023 -0.0061 723 GLN 73 O -0.0049 -0.0032 -0.0076 724 GLN 73 CB 0.0019 -0.0033 -0.0017 725 GLN 73 CG 0.0037 -0.0053 0.0017 726 GLN 73 CD 0.0060 -0.0042 0.0026 727 GLN 73 OE1 0.0074 -0.0014 0.0012 728 GLN 73 NE2 0.0065 -0.0063 0.0050 729 GLN 73 H 0.0038 -0.0030 -0.0003 730 GLN 73 HA -0.0021 -0.0067 -0.0020 731 GLN 73 HB2 0.0037 -0.0009 -0.0023 732 GLN 73 HB3 0.0005 -0.0034 -0.0027 733 GLN 73 HG2 0.0019 -0.0076 0.0024 734 GLN 73 HG3 0.0050 -0.0053 0.0028 735 GLN 73 HE21 0.0053 -0.0085 0.0060 736 GLN 73 HE22 0.0080 -0.0057 0.0057 737 LEU 74 N 0.0039 0.0031 -0.0001 738 LEU 74 CA 0.0042 0.0029 -0.0025 739 LEU 74 C 0.0038 -0.0006 -0.0031 740 LEU 74 O 0.0040 -0.0013 -0.0055 741 LEU 74 CB 0.0045 0.0052 -0.0016 742 LEU 74 CG 0.0048 0.0057 -0.0040 743 LEU 74 CD1 0.0054 0.0069 -0.0072 744 LEU 74 CD2 0.0050 0.0080 -0.0026 745 LEU 74 H 0.0038 0.0038 0.0021 746 LEU 74 HA 0.0046 0.0037 -0.0048 747 LEU 74 HB2 0.0047 0.0075 -0.0009 748 LEU 74 HB3 0.0040 0.0042 0.0006 749 LEU 74 HG 0.0045 0.0034 -0.0045 750 LEU 74 HD11 0.0057 0.0073 -0.0088 751 LEU 74 HD12 0.0057 0.0092 -0.0068 752 LEU 74 HD13 0.0053 0.0052 -0.0082 753 LEU 74 HD21 0.0053 0.0103 -0.0021 754 LEU 74 HD22 0.0053 0.0083 -0.0043 755 LEU 74 HD23 0.0046 0.0071 -0.0004 756 SER 75 N -0.0007 0.0030 0.0050 757 SER 75 CA -0.0008 0.0069 0.0049 758 SER 75 C 0.0028 0.0150 0.0042 759 SER 75 O 0.0015 0.0200 0.0041 760 SER 75 CB -0.0092 0.0070 0.0055 761 SER 75 OG -0.0094 0.0102 0.0054 762 SER 75 H 0.0032 -0.0010 0.0049 763 SER 75 HA 0.0029 0.0035 0.0047 764 SER 75 HB2 -0.0113 0.0011 0.0059 765 SER 75 HB3 -0.0129 0.0103 0.0057 766 SER 75 HG -0.0125 0.0068 0.0058 767 VAL 76 N 0.0048 0.0079 0.0087 768 VAL 76 CA 0.0045 0.0075 0.0100 769 VAL 76 C 0.0071 0.0100 0.0084 770 VAL 76 O 0.0088 0.0116 0.0108 771 VAL 76 CB 0.0015 0.0047 0.0086 772 VAL 76 CG1 0.0012 0.0044 0.0100 773 VAL 76 CG2 -0.0011 0.0022 0.0103 774 VAL 76 H 0.0033 0.0065 0.0068 775 VAL 76 HA 0.0047 0.0076 0.0134 776 VAL 76 HB 0.0014 0.0047 0.0053 777 VAL 76 HG11 -0.0009 0.0024 0.0090 778 VAL 76 HG12 0.0014 0.0045 0.0133 779 VAL 76 HG13 0.0030 0.0061 0.0087 780 VAL 76 HG21 -0.0032 0.0003 0.0092 781 VAL 76 HG22 -0.0009 0.0024 0.0091 782 VAL 76 HG23 -0.0010 0.0022 0.0136 783 GLU 77 N 0.0052 0.0059 0.0111 784 GLU 77 CA 0.0065 0.0080 0.0092 785 GLU 77 C 0.0071 0.0093 0.0065 786 GLU 77 O 0.0060 0.0083 0.0039 787 GLU 77 CB 0.0056 0.0071 0.0078 788 GLU 77 CG 0.0035 0.0046 0.0059 789 GLU 77 CD 0.0028 0.0039 0.0045 790 GLU 77 OE1 0.0022 0.0028 0.0063 791 GLU 77 OE2 0.0027 0.0043 0.0015 792 GLU 77 H 0.0042 0.0049 0.0098 793 GLU 77 HA 0.0078 0.0095 0.0109 794 GLU 77 HB2 0.0066 0.0086 0.0062 795 GLU 77 HB3 0.0056 0.0067 0.0098 796 GLU 77 HG2 0.0025 0.0030 0.0076 797 GLU 77 HG3 0.0036 0.0050 0.0040 798 PRO 78 N 0.0015 0.0038 0.0115 799 PRO 78 CA 0.0028 0.0061 0.0077 800 PRO 78 C 0.0013 0.0051 0.0098 801 PRO 78 O 0.0031 0.0018 0.0132 802 PRO 78 CB 0.0091 0.0049 0.0059 803 PRO 78 CG 0.0105 0.0030 0.0077 804 PRO 78 CD 0.0064 0.0012 0.0122 805 PRO 78 HA 0.0007 0.0090 0.0049 806 PRO 78 HB2 0.0111 0.0031 0.0072 807 PRO 78 HB3 0.0101 0.0074 0.0020 808 PRO 78 HG2 0.0146 0.0009 0.0083 809 PRO 78 HG3 0.0102 0.0050 0.0052 810 PRO 78 HD2 0.0078 -0.0016 0.0152 811 PRO 78 HD3 0.0056 0.0010 0.0129 812 TYR 79 N -0.0196 0.0019 0.0151 813 TYR 79 CA -0.0059 0.0023 0.0125 814 TYR 79 C -0.0030 0.0104 0.0164 815 TYR 79 O -0.0001 0.0209 0.0217 816 TYR 79 CB 0.0032 0.0052 0.0123 817 TYR 79 CG 0.0018 -0.0037 0.0075 818 TYR 79 CD1 -0.0070 -0.0030 0.0098 819 TYR 79 CD2 0.0091 -0.0130 0.0008 820 TYR 79 CE1 -0.0085 -0.0112 0.0055 821 TYR 79 CE2 0.0078 -0.0213 -0.0035 822 TYR 79 CZ -0.0011 -0.0203 -0.0012 823 TYR 79 OH -0.0026 -0.0286 -0.0055 824 TYR 79 H -0.0251 -0.0053 0.0122 825 TYR 79 HA -0.0046 -0.0062 0.0075 826 TYR 79 HB2 0.0013 0.0134 0.0172 827 TYR 79 HB3 0.0131 0.0058 0.0106 828 TYR 79 HD1 -0.0128 0.0042 0.0150 829 TYR 79 HD2 0.0160 -0.0137 -0.0010 830 TYR 79 HE1 -0.0154 -0.0104 0.0074 831 TYR 79 HE2 0.0136 -0.0284 -0.0087 832 TYR 79 HH -0.0032 -0.0359 -0.0095 833 SER 80 N -0.0118 0.0054 0.0046 834 SER 80 CA -0.0094 0.0048 0.0018 835 SER 80 C -0.0096 0.0049 0.0012 836 SER 80 O -0.0120 0.0055 0.0026 837 SER 80 CB -0.0057 0.0038 0.0029 838 SER 80 OG -0.0032 0.0032 0.0001 839 SER 80 H -0.0110 0.0051 0.0071 840 SER 80 HA -0.0102 0.0051 -0.0007 841 SER 80 HB2 -0.0057 0.0038 0.0034 842 SER 80 HB3 -0.0049 0.0036 0.0053 843 SER 80 HG -0.0035 0.0034 -0.0016 844 GLN 81 N -0.0084 0.0070 -0.0014 845 GLN 81 CA -0.0020 0.0067 -0.0028 846 GLN 81 C 0.0004 0.0001 -0.0008 847 GLN 81 O -0.0017 -0.0038 0.0011 848 GLN 81 CB 0.0022 0.0098 -0.0050 849 GLN 81 CG 0.0087 0.0104 -0.0067 850 GLN 81 CD 0.0132 0.0129 -0.0088 851 GLN 81 OE1 0.0128 0.0120 -0.0083 852 GLN 81 NE2 0.0174 0.0160 -0.0109 853 GLN 81 H -0.0095 0.0083 -0.0016 854 GLN 81 HA -0.0020 0.0089 -0.0036 855 GLN 81 HB2 0.0001 0.0142 -0.0061 856 GLN 81 HB3 0.0027 0.0072 -0.0041 857 GLN 81 HG2 0.0107 0.0059 -0.0055 858 GLN 81 HG3 0.0083 0.0132 -0.0077 859 GLN 81 HE21 0.0174 0.0165 -0.0111 860 GLN 81 HE22 0.0205 0.0177 -0.0123 861 GLU 82 N -0.0070 0.0001 -0.0013 862 GLU 82 CA -0.0073 0.0004 -0.0026 863 GLU 82 C -0.0051 -0.0025 -0.0065 864 GLU 82 O -0.0048 -0.0029 -0.0080 865 GLU 82 CB -0.0105 0.0046 -0.0040 866 GLU 82 CG -0.0110 0.0053 -0.0052 867 GLU 82 CD -0.0141 0.0094 -0.0062 868 GLU 82 OE1 -0.0152 0.0107 -0.0102 869 GLU 82 OE2 -0.0156 0.0114 -0.0031 870 GLU 82 H -0.0059 -0.0014 0.0016 871 GLU 82 HA -0.0067 -0.0004 0.0005 872 GLU 82 HB2 -0.0118 0.0064 -0.0010 873 GLU 82 HB3 -0.0111 0.0054 -0.0070 874 GLU 82 HG2 -0.0098 0.0036 -0.0084 875 GLU 82 HG3 -0.0103 0.0044 -0.0023 876 GLU 83 N -0.0096 -0.0040 -0.0016 877 GLU 83 CA -0.0070 -0.0050 -0.0041 878 GLU 83 C -0.0018 -0.0027 -0.0012 879 GLU 83 O 0.0032 -0.0032 -0.0033 880 GLU 83 CB -0.0116 -0.0058 -0.0045 881 GLU 83 CG -0.0093 -0.0069 -0.0070 882 GLU 83 CD -0.0141 -0.0080 -0.0077 883 GLU 83 OE1 -0.0162 -0.0062 -0.0040 884 GLU 83 OE2 -0.0158 -0.0106 -0.0122 885 GLU 83 H -0.0107 -0.0021 0.0021 886 GLU 83 HA -0.0054 -0.0069 -0.0080 887 GLU 83 HB2 -0.0151 -0.0075 -0.0067 888 GLU 83 HB3 -0.0134 -0.0040 -0.0006 889 GLU 83 HG2 -0.0062 -0.0051 -0.0045 890 GLU 83 HG3 -0.0071 -0.0086 -0.0107 891 ALA 84 N -0.0060 -0.0005 -0.0020 892 ALA 84 CA 0.0026 0.0039 0.0039 893 ALA 84 C 0.0045 0.0061 0.0088 894 ALA 84 O 0.0093 0.0099 0.0161 895 ALA 84 CB 0.0010 0.0060 0.0113 896 ALA 84 H -0.0128 -0.0013 0.0014 897 ALA 84 HA 0.0090 0.0039 -0.0012 898 ALA 84 HB1 0.0073 0.0092 0.0156 899 ALA 84 HB2 -0.0057 0.0057 0.0160 900 ALA 84 HB3 0.0004 0.0045 0.0074 901 GLU 85 N -0.0075 0.0019 0.0022 902 GLU 85 CA -0.0033 0.0047 0.0030 903 GLU 85 C -0.0006 0.0016 0.0030 904 GLU 85 O -0.0020 0.0016 0.0029 905 GLU 85 CB -0.0050 0.0098 0.0033 906 GLU 85 CG -0.0009 0.0136 0.0041 907 GLU 85 CD 0.0027 0.0126 0.0045 908 GLU 85 OE1 0.0016 0.0143 0.0045 909 GLU 85 OE2 0.0066 0.0102 0.0048 910 GLU 85 H -0.0080 -0.0011 0.0019 911 GLU 85 HA -0.0010 0.0051 0.0033 912 GLU 85 HB2 -0.0078 0.0114 0.0031 913 GLU 85 HB3 -0.0067 0.0092 0.0030 914 GLU 85 HG2 0.0011 0.0128 0.0043 915 GLU 85 HG3 -0.0025 0.0173 0.0043 916 ARG 86 N 0.0018 -0.0017 0.0030 917 ARG 86 CA 0.0056 -0.0068 0.0032 918 ARG 86 C 0.0106 -0.0062 -0.0005 919 ARG 86 O 0.0106 -0.0022 -0.0026 920 ARG 86 CB 0.0031 -0.0107 0.0070 921 ARG 86 CG -0.0003 -0.0080 0.0078 922 ARG 86 CD 0.0026 -0.0058 0.0047 923 ARG 86 NE -0.0010 -0.0029 0.0055 924 ARG 86 CZ 0.0002 0.0004 0.0030 925 ARG 86 NH1 0.0049 0.0010 -0.0005 926 ARG 86 NH2 -0.0035 0.0030 0.0041 927 ARG 86 H 0.0007 0.0010 0.0023 928 ARG 86 HA 0.0066 -0.0088 0.0036 929 ARG 86 HB2 0.0062 -0.0140 0.0067 930 ARG 86 HB3 0.0008 -0.0125 0.0095 931 ARG 86 HG2 -0.0020 -0.0110 0.0106 932 ARG 86 HG3 -0.0034 -0.0047 0.0081 933 ARG 86 HD2 0.0046 -0.0031 0.0019 934 ARG 86 HD3 0.0054 -0.0092 0.0047 935 ARG 86 HE -0.0045 -0.0034 0.0082 936 ARG 86 HH11 0.0078 -0.0009 -0.0015 937 ARG 86 HH12 0.0058 0.0034 -0.0024 938 ARG 86 HH21 -0.0071 0.0026 0.0067 939 ARG 86 HH22 -0.0028 0.0055 0.0023 940 ALA 87 N -0.0167 0.0041 0.0063 941 ALA 87 CA -0.0082 0.0035 -0.0009 942 ALA 87 C -0.0065 -0.0030 0.0022 943 ALA 87 O 0.0012 -0.0088 -0.0006 944 ALA 87 CB -0.0005 -0.0010 -0.0046 945 ALA 87 H -0.0166 -0.0017 0.0104 946 ALA 87 HA -0.0087 0.0110 -0.0057 947 ALA 87 HB1 -0.0001 -0.0084 0.0003 948 ALA 87 HB2 -0.0018 0.0037 -0.0068 949 ALA 87 HB3 0.0059 -0.0016 -0.0099 950 ALA 88 N -0.0073 -0.0056 -0.0254 951 ALA 88 CA -0.0072 -0.0069 -0.0247 952 ALA 88 C -0.0106 0.0123 -0.0276 953 ALA 88 O -0.0171 0.0217 -0.0147 954 ALA 88 CB -0.0109 -0.0167 -0.0069 955 ALA 88 H -0.0117 0.0038 -0.0185 956 ALA 88 HA -0.0016 -0.0151 -0.0357 957 ALA 88 HB1 -0.0165 -0.0085 0.0042 958 ALA 88 HB2 -0.0084 -0.0304 -0.0052 959 ALA 88 HB3 -0.0106 -0.0178 -0.0071 960 GLY 89 N 0.0025 -0.0082 0.0063 961 GLY 89 CA 0.0012 -0.0117 0.0075 962 GLY 89 C -0.0027 -0.0121 0.0117 963 GLY 89 O -0.0044 -0.0082 0.0136 964 GLY 89 H 0.0010 -0.0071 0.0079 965 GLY 89 HA2 0.0020 -0.0105 0.0067 966 GLY 89 HA3 0.0022 -0.0154 0.0064 967 MET 90 N -0.0029 0.0002 -0.0062 968 MET 90 CA -0.0010 0.0000 -0.0026 969 MET 90 C 0.0006 -0.0031 -0.0024 970 MET 90 O 0.0004 -0.0028 -0.0026 971 MET 90 CB -0.0016 0.0036 -0.0005 972 MET 90 CG 0.0002 0.0040 0.0035 973 MET 90 SD 0.0024 0.0010 0.0051 974 MET 90 CE 0.0040 0.0026 0.0097 975 MET 90 H -0.0031 -0.0002 -0.0070 976 MET 90 HA -0.0001 -0.0005 -0.0014 977 MET 90 HB2 -0.0029 0.0057 -0.0011 978 MET 90 HB3 -0.0023 0.0039 -0.0015 979 MET 90 HG2 0.0009 0.0037 0.0045 980 MET 90 HG3 -0.0005 0.0067 0.0045 981 MET 90 HE1 0.0045 0.0024 0.0105 982 MET 90 HE2 0.0054 0.0010 0.0110 983 MET 90 HE3 0.0030 0.0053 0.0103 984 GLY 91 N 0.0070 -0.0047 0.0057 985 GLY 91 CA 0.0048 0.0017 0.0039 986 GLY 91 C 0.0019 0.0063 -0.0047 987 GLY 91 O -0.0005 0.0142 -0.0044 988 GLY 91 H 0.0065 -0.0026 0.0066 989 GLY 91 HA2 0.0057 -0.0017 0.0030 990 GLY 91 HA3 0.0041 0.0066 0.0095 991 SER 92 N -0.0083 -0.0003 -0.0097 992 SER 92 CA 0.0023 0.0013 -0.0022 993 SER 92 C 0.0089 -0.0033 -0.0029 994 SER 92 O 0.0050 -0.0010 -0.0029 995 SER 92 CB 0.0001 0.0119 0.0068 996 SER 92 OG -0.0062 0.0161 0.0072 997 SER 92 H -0.0140 0.0024 -0.0103 998 SER 92 HA 0.0072 -0.0017 -0.0023 999 SER 92 HB2 -0.0048 0.0150 0.0070 1000 SER 92 HB3 0.0081 0.0131 0.0125 1001 SER 92 HG -0.0088 0.0113 0.0012 1002 TYR 93 N -0.0024 0.0051 -0.0018 1003 TYR 93 CA -0.0002 0.0036 -0.0012 1004 TYR 93 C 0.0020 0.0046 -0.0001 1005 TYR 93 O 0.0016 0.0057 -0.0001 1006 TYR 93 CB -0.0004 0.0006 -0.0019 1007 TYR 93 CG 0.0016 -0.0012 -0.0014 1008 TYR 93 CD1 0.0013 -0.0020 -0.0017 1009 TYR 93 CD2 0.0037 -0.0020 -0.0007 1010 TYR 93 CE1 0.0031 -0.0037 -0.0013 1011 TYR 93 CE2 0.0055 -0.0037 -0.0003 1012 TYR 93 CZ 0.0052 -0.0045 -0.0006 1013 TYR 93 OH 0.0070 -0.0061 -0.0001 1014 TYR 93 H -0.0029 0.0048 -0.0021 1015 TYR 93 HA 0.0001 0.0040 -0.0010 1016 TYR 93 HB2 -0.0022 0.0001 -0.0027 1017 TYR 93 HB3 -0.0004 0.0003 -0.0020 1018 TYR 93 HD1 -0.0003 -0.0014 -0.0022 1019 TYR 93 HD2 0.0039 -0.0014 -0.0005 1020 TYR 93 HE1 0.0029 -0.0043 -0.0015 1021 TYR 93 HE2 0.0071 -0.0043 0.0003 1022 TYR 93 HH 0.0086 -0.0054 0.0007 1023 VAL 94 N -0.0098 -0.0021 -0.0003 1024 VAL 94 CA -0.0077 -0.0009 -0.0001 1025 VAL 94 C -0.0073 -0.0009 -0.0002 1026 VAL 94 O -0.0068 -0.0028 -0.0006 1027 VAL 94 CB -0.0055 -0.0016 -0.0004 1028 VAL 94 CG1 -0.0050 -0.0041 -0.0010 1029 VAL 94 CG2 -0.0034 -0.0001 -0.0002 1030 VAL 94 H -0.0097 -0.0034 -0.0006 1031 VAL 94 HA -0.0081 0.0009 0.0003 1032 VAL 94 HB -0.0058 -0.0012 -0.0003 1033 VAL 94 HG11 -0.0034 -0.0045 -0.0012 1034 VAL 94 HG12 -0.0047 -0.0045 -0.0011 1035 VAL 94 HG13 -0.0064 -0.0051 -0.0011 1036 VAL 94 HG21 -0.0030 -0.0004 -0.0003 1037 VAL 94 HG22 -0.0018 -0.0007 -0.0004 1038 VAL 94 HG23 -0.0037 0.0017 0.0002