1 ASP 28 N 0.0445 -0.0261 0.0996 2 ASP 28 CA 0.0455 -0.0409 0.0666 3 ASP 28 C 0.0280 -0.0165 0.0419 4 ASP 28 O 0.0175 0.0074 0.0508 5 ASP 28 CB 0.0555 -0.0589 0.0705 6 ASP 28 CG 0.0573 -0.0751 0.0375 7 ASP 28 OD1 0.0656 -0.0969 0.0234 8 ASP 28 OD2 0.0511 -0.0676 0.0262 9 ASP 28 H 0.0563 -0.0422 0.1174 10 ASP 28 HA 0.0518 -0.0567 0.0575 11 ASP 28 HB2 0.0679 -0.0761 0.0881 12 ASP 28 HB3 0.0493 -0.0429 0.0804 13 PRO 29 N 0.0310 0.0063 -0.0151 14 PRO 29 CA 0.0131 0.0286 -0.0416 15 PRO 29 C 0.0254 0.0163 -0.0319 16 PRO 29 O 0.0608 -0.0090 -0.0324 17 PRO 29 CB 0.0297 0.0347 -0.0924 18 PRO 29 CG 0.0452 0.0233 -0.0917 19 PRO 29 CD 0.0575 -0.0019 -0.0458 20 PRO 29 HA -0.0190 0.0492 -0.0343 21 PRO 29 HB2 0.0527 0.0230 -0.1060 22 PRO 29 HB3 0.0061 0.0587 -0.1119 23 PRO 29 HG2 0.0707 0.0149 -0.1197 24 PRO 29 HG3 0.0220 0.0412 -0.0951 25 PRO 29 HD2 0.0885 -0.0234 -0.0484 26 PRO 29 HD3 0.0521 -0.0021 -0.0343 27 ASN 30 N 0.0167 0.0010 -0.0032 28 ASN 30 CA 0.0167 -0.0008 0.0073 29 ASN 30 C 0.0227 -0.0001 0.0155 30 ASN 30 O 0.0314 0.0025 0.0183 31 ASN 30 CB 0.0200 0.0004 0.0071 32 ASN 30 CG 0.0205 -0.0012 0.0178 33 ASN 30 OD1 0.0131 -0.0043 0.0209 34 ASN 30 ND2 0.0290 0.0009 0.0232 35 ASN 30 H 0.0103 -0.0007 -0.0070 36 ASN 30 HA 0.0090 -0.0039 0.0094 37 ASN 30 HB2 0.0148 -0.0006 0.0019 38 ASN 30 HB3 0.0272 0.0035 0.0038 39 ASN 30 HD21 0.0347 0.0034 0.0203 40 ASN 30 HD22 0.0294 -0.0001 0.0301 41 ALA 31 N 0.0221 0.0043 0.0241 42 ALA 31 CA 0.0236 0.0055 0.0262 43 ALA 31 C 0.0238 0.0077 0.0283 44 ALA 31 O 0.0257 0.0074 0.0293 45 ALA 31 CB 0.0265 0.0036 0.0265 46 ALA 31 H 0.0217 0.0048 0.0243 47 ALA 31 HA 0.0225 0.0061 0.0260 48 ALA 31 HB1 0.0275 0.0045 0.0280 49 ALA 31 HB2 0.0276 0.0030 0.0267 50 ALA 31 HB3 0.0263 0.0020 0.0250 51 GLU 32 N 0.0214 -0.0004 0.0215 52 GLU 32 CA 0.0221 -0.0050 0.0164 53 GLU 32 C 0.0196 -0.0033 0.0122 54 GLU 32 O 0.0190 -0.0059 0.0069 55 GLU 32 CB 0.0261 -0.0104 0.0187 56 GLU 32 CG 0.0273 -0.0101 0.0223 57 GLU 32 CD 0.0313 -0.0157 0.0242 58 GLU 32 OE1 0.0320 -0.0193 0.0206 59 GLU 32 OE2 0.0337 -0.0167 0.0292 60 GLU 32 H 0.0231 -0.0008 0.0254 61 GLU 32 HA 0.0215 -0.0055 0.0141 62 GLU 32 HB2 0.0265 -0.0137 0.0147 63 GLU 32 HB3 0.0277 -0.0114 0.0216 64 GLU 32 HG2 0.0270 -0.0069 0.0264 65 GLU 32 HG3 0.0256 -0.0090 0.0195 66 PHE 33 N 0.0182 -0.0016 0.0105 67 PHE 33 CA 0.0161 0.0010 0.0079 68 PHE 33 C 0.0122 0.0082 0.0054 69 PHE 33 O 0.0116 0.0115 0.0066 70 PHE 33 CB 0.0185 0.0018 0.0138 71 PHE 33 CG 0.0200 0.0064 0.0205 72 PHE 33 CD1 0.0176 0.0138 0.0213 73 PHE 33 CD2 0.0237 0.0032 0.0258 74 PHE 33 CE1 0.0189 0.0180 0.0274 75 PHE 33 CE2 0.0250 0.0073 0.0319 76 PHE 33 CZ 0.0226 0.0147 0.0326 77 PHE 33 H 0.0195 0.0006 0.0150 78 PHE 33 HA 0.0155 -0.0030 0.0036 79 PHE 33 HB2 0.0168 0.0044 0.0121 80 PHE 33 HB3 0.0211 -0.0035 0.0150 81 PHE 33 HD1 0.0147 0.0164 0.0172 82 PHE 33 HD2 0.0255 -0.0027 0.0252 83 PHE 33 HE1 0.0170 0.0238 0.0280 84 PHE 33 HE2 0.0278 0.0047 0.0360 85 PHE 33 HZ 0.0236 0.0179 0.0374 86 ASP 34 N 0.0082 0.0088 -0.0014 87 ASP 34 CA 0.0043 0.0167 -0.0039 88 ASP 34 C 0.0047 0.0225 0.0014 89 ASP 34 O 0.0064 0.0203 0.0034 90 ASP 34 CB 0.0005 0.0162 -0.0124 91 ASP 34 CG -0.0038 0.0240 -0.0156 92 ASP 34 OD1 -0.0048 0.0297 -0.0136 93 ASP 34 OD2 -0.0061 0.0247 -0.0202 94 ASP 34 H 0.0088 0.0055 -0.0027 95 ASP 34 HA 0.0037 0.0189 -0.0034 96 ASP 34 HB2 0.0005 0.0115 -0.0160 97 ASP 34 HB3 0.0009 0.0146 -0.0127 98 PRO 35 N 0.0068 0.0320 0.0041 99 PRO 35 CA 0.0056 0.0385 0.0100 100 PRO 35 C 0.0012 0.0450 0.0050 101 PRO 35 O -0.0002 0.0509 0.0093 102 PRO 35 CB 0.0051 0.0431 0.0155 103 PRO 35 CG 0.0034 0.0428 0.0090 104 PRO 35 CD 0.0055 0.0343 0.0031 105 PRO 35 HA 0.0081 0.0357 0.0144 106 PRO 35 HB2 0.0029 0.0495 0.0178 107 PRO 35 HB3 0.0084 0.0397 0.0212 108 PRO 35 HG2 -0.0002 0.0480 0.0050 109 PRO 35 HG3 0.0043 0.0431 0.0127 110 PRO 35 HD2 0.0031 0.0351 -0.0038 111 PRO 35 HD3 0.0083 0.0296 0.0055 112 ASP 36 N -0.0016 0.0416 -0.0031 113 ASP 36 CA -0.0051 0.0457 -0.0071 114 ASP 36 C -0.0045 0.0379 -0.0087 115 ASP 36 O -0.0047 0.0400 -0.0083 116 ASP 36 CB -0.0115 0.0495 -0.0154 117 ASP 36 CG -0.0155 0.0535 -0.0200 118 ASP 36 OD1 -0.0154 0.0616 -0.0173 119 ASP 36 OD2 -0.0188 0.0484 -0.0267 120 ASP 36 H -0.0030 0.0372 -0.0067 121 ASP 36 HA -0.0036 0.0518 -0.0028 122 ASP 36 HB2 -0.0119 0.0554 -0.0140 123 ASP 36 HB3 -0.0130 0.0435 -0.0196 124 LEU 37 N -0.0016 0.0226 -0.0122 125 LEU 37 CA -0.0014 0.0175 -0.0132 126 LEU 37 C 0.0024 0.0148 -0.0084 127 LEU 37 O 0.0047 0.0138 -0.0052 128 LEU 37 CB -0.0032 0.0127 -0.0172 129 LEU 37 CG -0.0073 0.0141 -0.0229 130 LEU 37 CD1 -0.0088 0.0154 -0.0248 131 LEU 37 CD2 -0.0087 0.0193 -0.0237 132 LEU 37 H -0.0014 0.0219 -0.0121 133 LEU 37 HA -0.0028 0.0194 -0.0149 134 LEU 37 HB2 -0.0022 0.0118 -0.0160 135 LEU 37 HB3 -0.0023 0.0086 -0.0170 136 LEU 37 HG -0.0081 0.0101 -0.0251 137 LEU 37 HD11 -0.0116 0.0163 -0.0287 138 LEU 37 HD12 -0.0080 0.0193 -0.0226 139 LEU 37 HD13 -0.0079 0.0115 -0.0245 140 LEU 37 HD21 -0.0115 0.0201 -0.0276 141 LEU 37 HD22 -0.0078 0.0181 -0.0225 142 LEU 37 HD23 -0.0079 0.0233 -0.0213 143 PRO 38 N 0.0030 0.0082 -0.0123 144 PRO 38 CA 0.0055 0.0064 -0.0101 145 PRO 38 C 0.0056 0.0033 -0.0099 146 PRO 38 O 0.0038 0.0012 -0.0114 147 PRO 38 CB 0.0055 0.0050 -0.0101 148 PRO 38 CG 0.0035 0.0072 -0.0118 149 PRO 38 CD 0.0015 0.0082 -0.0136 150 PRO 38 HA 0.0072 0.0081 -0.0087 151 PRO 38 HB2 0.0048 0.0023 -0.0105 152 PRO 38 HB3 0.0074 0.0052 -0.0084 153 PRO 38 HG2 0.0026 0.0057 -0.0126 154 PRO 38 HG3 0.0045 0.0095 -0.0110 155 PRO 38 HD2 -0.0001 0.0062 -0.0150 156 PRO 38 HD3 0.0008 0.0107 -0.0144 157 GLY 39 N 0.0040 0.0028 -0.0062 158 GLY 39 CA 0.0050 -0.0005 -0.0059 159 GLY 39 C 0.0051 -0.0016 -0.0070 160 GLY 39 O 0.0056 -0.0044 -0.0078 161 GLY 39 H 0.0041 0.0043 -0.0044 162 GLY 39 HA2 0.0058 -0.0009 -0.0034 163 GLY 39 HA3 0.0050 -0.0017 -0.0072 164 GLY 40 N 0.0081 0.0024 -0.0012 165 GLY 40 CA 0.0078 0.0025 -0.0017 166 GLY 40 C 0.0054 0.0006 -0.0077 167 GLY 40 O 0.0052 -0.0002 -0.0087 168 GLY 40 H 0.0066 0.0060 -0.0002 169 GLY 40 HA2 0.0063 0.0068 0.0001 170 GLY 40 HA3 0.0108 -0.0002 0.0007 171 GLY 41 N 0.0031 0.0000 -0.0121 172 GLY 41 CA 0.0010 -0.0018 -0.0163 173 GLY 41 C 0.0017 -0.0070 -0.0168 174 GLY 41 O 0.0002 -0.0092 -0.0202 175 GLY 41 H 0.0038 0.0010 -0.0104 176 GLY 41 HA2 0.0004 -0.0012 -0.0173 177 GLY 41 HA3 -0.0003 -0.0001 -0.0182 178 LEU 42 N 0.0058 -0.0080 -0.0111 179 LEU 42 CA 0.0087 -0.0134 -0.0114 180 LEU 42 C 0.0095 -0.0156 -0.0132 181 LEU 42 O 0.0117 -0.0202 -0.0144 182 LEU 42 CB 0.0109 -0.0149 -0.0055 183 LEU 42 CG 0.0105 -0.0131 -0.0030 184 LEU 42 CD1 0.0127 -0.0147 0.0028 185 LEU 42 CD2 0.0107 -0.0150 -0.0067 186 LEU 42 H 0.0056 -0.0061 -0.0076 187 LEU 42 HA 0.0089 -0.0150 -0.0142 188 LEU 42 HB2 0.0107 -0.0134 -0.0028 189 LEU 42 HB3 0.0130 -0.0189 -0.0058 190 LEU 42 HG 0.0083 -0.0090 -0.0026 191 LEU 42 HD11 0.0125 -0.0134 0.0046 192 LEU 42 HD12 0.0149 -0.0188 0.0026 193 LEU 42 HD13 0.0125 -0.0131 0.0055 194 LEU 42 HD21 0.0128 -0.0191 -0.0073 195 LEU 42 HD22 0.0104 -0.0137 -0.0048 196 LEU 42 HD23 0.0089 -0.0135 -0.0107 197 HIS 43 N -0.0002 -0.0071 -0.0122 198 HIS 43 CA -0.0002 -0.0074 -0.0113 199 HIS 43 C 0.0000 -0.0062 -0.0122 200 HIS 43 O 0.0005 -0.0045 -0.0119 201 HIS 43 CB 0.0000 -0.0069 -0.0092 202 HIS 43 CG -0.0002 -0.0078 -0.0081 203 HIS 43 ND1 -0.0006 -0.0096 -0.0074 204 HIS 43 CD2 -0.0000 -0.0073 -0.0077 205 HIS 43 CE1 -0.0007 -0.0100 -0.0065 206 HIS 43 NE2 -0.0003 -0.0087 -0.0067 207 HIS 43 H 0.0001 -0.0059 -0.0124 208 HIS 43 HA -0.0006 -0.0087 -0.0114 209 HIS 43 HB2 0.0004 -0.0054 -0.0090 210 HIS 43 HB3 -0.0001 -0.0073 -0.0085 211 HIS 43 HD1 -0.0008 -0.0103 -0.0075 212 HIS 43 HD2 0.0003 -0.0060 -0.0080 213 HIS 43 HE1 -0.0010 -0.0113 -0.0057 214 HIS 43 HE2 -0.0004 -0.0088 -0.0064 215 ARG 44 N -0.0052 -0.0090 -0.0127 216 ARG 44 CA -0.0034 -0.0081 -0.0122 217 ARG 44 C -0.0047 -0.0088 -0.0094 218 ARG 44 O -0.0074 -0.0102 -0.0087 219 ARG 44 CB -0.0037 -0.0082 -0.0153 220 ARG 44 CG -0.0034 -0.0079 -0.0187 221 ARG 44 CD -0.0040 -0.0082 -0.0216 222 ARG 44 NE -0.0039 -0.0080 -0.0249 223 ARG 44 CZ -0.0041 -0.0081 -0.0278 224 ARG 44 NH1 -0.0045 -0.0082 -0.0278 225 ARG 44 NH2 -0.0039 -0.0079 -0.0308 226 ARG 44 H -0.0074 -0.0101 -0.0130 227 ARG 44 HA -0.0010 -0.0069 -0.0118 228 ARG 44 HB2 -0.0059 -0.0093 -0.0152 229 ARG 44 HB3 -0.0020 -0.0073 -0.0151 230 ARG 44 HG2 -0.0011 -0.0067 -0.0189 231 ARG 44 HG3 -0.0050 -0.0087 -0.0188 232 ARG 44 HD2 -0.0063 -0.0093 -0.0212 233 ARG 44 HD3 -0.0024 -0.0073 -0.0214 234 ARG 44 HE -0.0037 -0.0079 -0.0250 235 ARG 44 HH11 -0.0046 -0.0084 -0.0255 236 ARG 44 HH12 -0.0046 -0.0083 -0.0299 237 ARG 44 HH21 -0.0037 -0.0077 -0.0311 238 ARG 44 HH22 -0.0041 -0.0079 -0.0330 239 CYS 45 N -0.0055 -0.0061 -0.0055 240 CYS 45 CA -0.0063 -0.0056 -0.0023 241 CYS 45 C -0.0056 -0.0058 -0.0017 242 CYS 45 O -0.0030 -0.0067 -0.0019 243 CYS 45 CB -0.0046 -0.0061 -0.0000 244 CYS 45 SG -0.0052 -0.0057 0.0041 245 CYS 45 H -0.0035 -0.0068 -0.0062 246 CYS 45 HA -0.0087 -0.0049 -0.0022 247 CYS 45 HB2 -0.0055 -0.0058 -0.0004 248 CYS 45 HB3 -0.0023 -0.0068 -0.0005 249 LEU 46 N -0.0056 -0.0054 0.0006 250 LEU 46 CA -0.0043 -0.0057 0.0016 251 LEU 46 C -0.0019 -0.0059 0.0048 252 LEU 46 O 0.0006 -0.0071 0.0051 253 LEU 46 CB -0.0071 -0.0041 0.0020 254 LEU 46 CG -0.0095 -0.0039 -0.0012 255 LEU 46 CD1 -0.0123 -0.0022 -0.0005 256 LEU 46 CD2 -0.0079 -0.0056 -0.0042 257 LEU 46 H -0.0078 -0.0041 0.0007 258 LEU 46 HA -0.0031 -0.0070 -0.0005 259 LEU 46 HB2 -0.0083 -0.0028 0.0040 260 LEU 46 HB3 -0.0061 -0.0044 0.0027 261 LEU 46 HG -0.0104 -0.0037 -0.0020 262 LEU 46 HD11 -0.0135 -0.0009 0.0014 263 LEU 46 HD12 -0.0139 -0.0020 -0.0028 264 LEU 46 HD13 -0.0114 -0.0023 0.0005 265 LEU 46 HD21 -0.0061 -0.0068 -0.0049 266 LEU 46 HD22 -0.0069 -0.0059 -0.0033 267 LEU 46 HD23 -0.0098 -0.0053 -0.0064 268 ALA 47 N -0.0057 -0.0053 0.0128 269 ALA 47 CA -0.0045 -0.0061 0.0153 270 ALA 47 C -0.0025 -0.0086 0.0147 271 ALA 47 O -0.0012 -0.0097 0.0166 272 ALA 47 CB -0.0054 -0.0048 0.0162 273 ALA 47 H -0.0068 -0.0042 0.0119 274 ALA 47 HA -0.0043 -0.0059 0.0170 275 ALA 47 HB1 -0.0045 -0.0053 0.0181 276 ALA 47 HB2 -0.0056 -0.0050 0.0145 277 ALA 47 HB3 -0.0068 -0.0030 0.0166 278 CYS 48 N -0.0024 -0.0082 0.0055 279 CYS 48 CA -0.0003 -0.0095 0.0049 280 CYS 48 C 0.0006 -0.0104 0.0030 281 CYS 48 O 0.0025 -0.0116 0.0026 282 CYS 48 CB -0.0002 -0.0097 0.0043 283 CYS 48 SG -0.0007 -0.0089 0.0067 284 CYS 48 H -0.0036 -0.0077 0.0043 285 CYS 48 HA 0.0008 -0.0098 0.0066 286 CYS 48 HB2 -0.0014 -0.0093 0.0029 287 CYS 48 HB3 0.0014 -0.0107 0.0039 288 ALA 49 N -0.0010 -0.0071 -0.0020 289 ALA 49 CA -0.0003 -0.0069 -0.0050 290 ALA 49 C 0.0018 -0.0071 -0.0068 291 ALA 49 O 0.0034 -0.0072 -0.0090 292 ALA 49 CB 0.0010 -0.0072 -0.0046 293 ALA 49 H -0.0032 -0.0067 -0.0014 294 ALA 49 HA -0.0024 -0.0063 -0.0061 295 ALA 49 HB1 0.0031 -0.0078 -0.0034 296 ALA 49 HB2 -0.0005 -0.0070 -0.0032 297 ALA 49 HB3 0.0014 -0.0070 -0.0068 298 ARG 50 N -0.0006 -0.0069 -0.0059 299 ARG 50 CA 0.0021 -0.0072 -0.0079 300 ARG 50 C 0.0007 -0.0057 -0.0106 301 ARG 50 O -0.0020 -0.0048 -0.0100 302 ARG 50 CB 0.0041 -0.0088 -0.0058 303 ARG 50 CG 0.0059 -0.0105 -0.0032 304 ARG 50 CD 0.0079 -0.0120 -0.0013 305 ARG 50 NE 0.0095 -0.0136 0.0013 306 ARG 50 CZ 0.0112 -0.0151 0.0036 307 ARG 50 NH1 0.0116 -0.0152 0.0035 308 ARG 50 NH2 0.0126 -0.0164 0.0059 309 ARG 50 H -0.0021 -0.0068 -0.0042 310 ARG 50 HA 0.0037 -0.0074 -0.0092 311 ARG 50 HB2 0.0025 -0.0086 -0.0045 312 ARG 50 HB3 0.0060 -0.0090 -0.0076 313 ARG 50 HG2 0.0076 -0.0107 -0.0045 314 ARG 50 HG3 0.0041 -0.0103 -0.0015 315 ARG 50 HD2 0.0062 -0.0117 -0.0000 316 ARG 50 HD3 0.0097 -0.0121 -0.0030 317 ARG 50 HE 0.0093 -0.0135 0.0013 318 ARG 50 HH11 0.0107 -0.0142 0.0018 319 ARG 50 HH12 0.0129 -0.0163 0.0051 320 ARG 50 HH21 0.0124 -0.0164 0.0060 321 ARG 50 HH22 0.0138 -0.0176 0.0077 322 TYR 51 N 0.0012 -0.0023 -0.0154 323 TYR 51 CA 0.0017 -0.0025 -0.0146 324 TYR 51 C 0.0039 -0.0023 -0.0114 325 TYR 51 O 0.0056 -0.0001 -0.0106 326 TYR 51 CB 0.0017 0.0003 -0.0167 327 TYR 51 CG -0.0004 0.0004 -0.0200 328 TYR 51 CD1 -0.0006 0.0021 -0.0216 329 TYR 51 CD2 -0.0022 -0.0011 -0.0215 330 TYR 51 CE1 -0.0025 0.0022 -0.0246 331 TYR 51 CE2 -0.0041 -0.0010 -0.0245 332 TYR 51 CZ -0.0042 0.0007 -0.0260 333 TYR 51 OH -0.0061 0.0008 -0.0290 334 TYR 51 H 0.0021 -0.0002 -0.0158 335 TYR 51 HA 0.0003 -0.0047 -0.0149 336 TYR 51 HB2 0.0031 0.0025 -0.0163 337 TYR 51 HB3 0.0020 0.0001 -0.0162 338 TYR 51 HD1 0.0007 0.0033 -0.0205 339 TYR 51 HD2 -0.0020 -0.0024 -0.0202 340 TYR 51 HE1 -0.0027 0.0035 -0.0258 341 TYR 51 HE2 -0.0054 -0.0022 -0.0256 342 TYR 51 HH -0.0056 0.0030 -0.0300 343 PHE 52 N 0.0001 -0.0033 -0.0098 344 PHE 52 CA 0.0010 -0.0035 -0.0091 345 PHE 52 C 0.0011 -0.0029 -0.0100 346 PHE 52 O -0.0000 -0.0028 -0.0108 347 PHE 52 CB 0.0004 -0.0043 -0.0078 348 PHE 52 CG 0.0003 -0.0049 -0.0068 349 PHE 52 CD1 -0.0009 -0.0051 -0.0069 350 PHE 52 CD2 0.0014 -0.0052 -0.0057 351 PHE 52 CE1 -0.0010 -0.0056 -0.0060 352 PHE 52 CE2 0.0014 -0.0057 -0.0048 353 PHE 52 CZ 0.0001 -0.0059 -0.0050 354 PHE 52 H -0.0010 -0.0035 -0.0101 355 PHE 52 HA 0.0022 -0.0033 -0.0089 356 PHE 52 HB2 -0.0007 -0.0045 -0.0080 357 PHE 52 HB3 0.0011 -0.0044 -0.0073 358 PHE 52 HD1 -0.0018 -0.0049 -0.0078 359 PHE 52 HD2 0.0024 -0.0050 -0.0055 360 PHE 52 HE1 -0.0019 -0.0058 -0.0062 361 PHE 52 HE2 0.0023 -0.0059 -0.0039 362 PHE 52 HZ 0.0001 -0.0063 -0.0042 363 ILE 53 N 0.0019 -0.0003 -0.0089 364 ILE 53 CA 0.0018 -0.0004 -0.0089 365 ILE 53 C 0.0010 -0.0014 -0.0084 366 ILE 53 O 0.0007 -0.0017 -0.0088 367 ILE 53 CB 0.0026 0.0004 -0.0080 368 ILE 53 CG1 0.0026 0.0003 -0.0066 369 ILE 53 CG2 0.0034 0.0015 -0.0086 370 ILE 53 CD1 0.0033 0.0010 -0.0057 371 ILE 53 H 0.0023 0.0002 -0.0083 372 ILE 53 HA 0.0018 -0.0002 -0.0098 373 ILE 53 HB 0.0025 0.0003 -0.0080 374 ILE 53 HG12 0.0027 0.0004 -0.0066 375 ILE 53 HG13 0.0020 -0.0005 -0.0062 376 ILE 53 HG21 0.0035 0.0016 -0.0087 377 ILE 53 HG22 0.0033 0.0016 -0.0096 378 ILE 53 HG23 0.0039 0.0020 -0.0080 379 ILE 53 HD11 0.0033 0.0008 -0.0056 380 ILE 53 HD12 0.0033 0.0008 -0.0048 381 ILE 53 HD13 0.0039 0.0017 -0.0061 382 ASP 54 N -0.0020 -0.0035 -0.0074 383 ASP 54 CA -0.0040 -0.0043 -0.0068 384 ASP 54 C -0.0045 -0.0041 -0.0058 385 ASP 54 O -0.0034 -0.0031 -0.0051 386 ASP 54 CB -0.0047 -0.0041 -0.0055 387 ASP 54 CG -0.0067 -0.0049 -0.0049 388 ASP 54 OD1 -0.0075 -0.0059 -0.0060 389 ASP 54 OD2 -0.0074 -0.0045 -0.0034 390 ASP 54 H -0.0013 -0.0027 -0.0067 391 ASP 54 HA -0.0045 -0.0053 -0.0080 392 ASP 54 HB2 -0.0042 -0.0042 -0.0062 393 ASP 54 HB3 -0.0041 -0.0031 -0.0043 394 SER 55 N -0.0070 -0.0055 -0.0058 395 SER 55 CA -0.0074 -0.0053 -0.0051 396 SER 55 C -0.0076 -0.0044 -0.0037 397 SER 55 O -0.0073 -0.0039 -0.0030 398 SER 55 CB -0.0088 -0.0060 -0.0054 399 SER 55 OG -0.0094 -0.0058 -0.0047 400 SER 55 H -0.0076 -0.0061 -0.0063 401 SER 55 HA -0.0067 -0.0051 -0.0054 402 SER 55 HB2 -0.0086 -0.0066 -0.0064 403 SER 55 HB3 -0.0096 -0.0062 -0.0053 404 SER 55 HG -0.0099 -0.0056 -0.0040 405 THR 56 N -0.0089 -0.0040 -0.0033 406 THR 56 CA -0.0092 -0.0033 -0.0025 407 THR 56 C -0.0081 -0.0026 -0.0022 408 THR 56 O -0.0080 -0.0020 -0.0015 409 THR 56 CB -0.0098 -0.0034 -0.0024 410 THR 56 OG1 -0.0108 -0.0040 -0.0027 411 THR 56 CG2 -0.0102 -0.0027 -0.0015 412 THR 56 H -0.0092 -0.0045 -0.0037 413 THR 56 HA -0.0096 -0.0030 -0.0021 414 THR 56 HB -0.0093 -0.0035 -0.0027 415 THR 56 HG1 -0.0105 -0.0045 -0.0033 416 THR 56 HG21 -0.0107 -0.0028 -0.0015 417 THR 56 HG22 -0.0107 -0.0025 -0.0012 418 THR 56 HG23 -0.0095 -0.0022 -0.0012 419 ASN 57 N -0.0056 -0.0037 -0.0032 420 ASN 57 CA -0.0045 -0.0033 -0.0029 421 ASN 57 C -0.0051 -0.0035 -0.0029 422 ASN 57 O -0.0046 -0.0035 -0.0020 423 ASN 57 CB -0.0034 -0.0026 -0.0040 424 ASN 57 CG -0.0023 -0.0022 -0.0037 425 ASN 57 OD1 -0.0013 -0.0019 -0.0029 426 ASN 57 ND2 -0.0026 -0.0022 -0.0042 427 ASN 57 H -0.0056 -0.0035 -0.0041 428 ASN 57 HA -0.0040 -0.0033 -0.0018 429 ASN 57 HB2 -0.0040 -0.0026 -0.0051 430 ASN 57 HB3 -0.0030 -0.0024 -0.0042 431 ASN 57 HD21 -0.0035 -0.0025 -0.0048 432 ASN 57 HD22 -0.0019 -0.0020 -0.0039 433 LEU 58 N -0.0054 -0.0046 -0.0034 434 LEU 58 CA -0.0054 -0.0046 -0.0032 435 LEU 58 C -0.0062 -0.0043 -0.0019 436 LEU 58 O -0.0057 -0.0040 -0.0011 437 LEU 58 CB -0.0060 -0.0050 -0.0044 438 LEU 58 CG -0.0063 -0.0051 -0.0044 439 LEU 58 CD1 -0.0076 -0.0051 -0.0037 440 LEU 58 CD2 -0.0052 -0.0047 -0.0037 441 LEU 58 H -0.0059 -0.0049 -0.0041 442 LEU 58 HA -0.0044 -0.0044 -0.0031 443 LEU 58 HB2 -0.0053 -0.0051 -0.0052 444 LEU 58 HB3 -0.0069 -0.0052 -0.0046 445 LEU 58 HG -0.0064 -0.0054 -0.0053 446 LEU 58 HD11 -0.0078 -0.0051 -0.0037 447 LEU 58 HD12 -0.0076 -0.0048 -0.0027 448 LEU 58 HD13 -0.0084 -0.0054 -0.0042 449 LEU 58 HD21 -0.0051 -0.0044 -0.0027 450 LEU 58 HD22 -0.0054 -0.0047 -0.0038 451 LEU 58 HD23 -0.0043 -0.0047 -0.0043 452 LYS 59 N -0.0086 -0.0029 -0.0012 453 LYS 59 CA -0.0091 -0.0021 -0.0007 454 LYS 59 C -0.0090 -0.0016 -0.0002 455 LYS 59 O -0.0089 -0.0009 0.0003 456 LYS 59 CB -0.0101 -0.0020 -0.0009 457 LYS 59 CG -0.0108 -0.0022 -0.0014 458 LYS 59 CD -0.0118 -0.0022 -0.0017 459 LYS 59 CE -0.0123 -0.0013 -0.0012 460 LYS 59 NZ -0.0125 -0.0008 -0.0009 461 LYS 59 H -0.0090 -0.0034 -0.0016 462 LYS 59 HA -0.0086 -0.0019 -0.0003 463 LYS 59 HB2 -0.0104 -0.0013 -0.0005 464 LYS 59 HB3 -0.0101 -0.0023 -0.0012 465 LYS 59 HG2 -0.0105 -0.0029 -0.0018 466 LYS 59 HG3 -0.0109 -0.0019 -0.0011 467 LYS 59 HD2 -0.0117 -0.0025 -0.0019 468 LYS 59 HD3 -0.0122 -0.0024 -0.0021 469 LYS 59 HE2 -0.0118 -0.0010 -0.0008 470 LYS 59 HE3 -0.0130 -0.0013 -0.0014 471 LYS 59 HZ1 -0.0130 -0.0011 -0.0012 472 LYS 59 HZ2 -0.0128 -0.0002 -0.0005 473 LYS 59 HZ3 -0.0119 -0.0008 -0.0007 474 THR 60 N -0.0092 -0.0015 -0.0011 475 THR 60 CA -0.0094 -0.0013 -0.0012 476 THR 60 C -0.0090 -0.0013 -0.0010 477 THR 60 O -0.0090 -0.0010 -0.0011 478 THR 60 CB -0.0099 -0.0018 -0.0015 479 THR 60 OG1 -0.0103 -0.0017 -0.0017 480 THR 60 CG2 -0.0101 -0.0016 -0.0016 481 THR 60 H -0.0093 -0.0019 -0.0011 482 THR 60 HA -0.0095 -0.0009 -0.0014 483 THR 60 HB -0.0097 -0.0022 -0.0013 484 THR 60 HG1 -0.0101 -0.0019 -0.0016 485 THR 60 HG21 -0.0105 -0.0019 -0.0018 486 THR 60 HG22 -0.0103 -0.0011 -0.0018 487 THR 60 HG23 -0.0099 -0.0016 -0.0015 488 HIS 61 N -0.0087 -0.0032 -0.0013 489 HIS 61 CA -0.0079 -0.0035 -0.0002 490 HIS 61 C -0.0079 -0.0025 0.0010 491 HIS 61 O -0.0073 -0.0026 0.0019 492 HIS 61 CB -0.0074 -0.0043 -0.0001 493 HIS 61 CG -0.0066 -0.0044 0.0012 494 HIS 61 ND1 -0.0059 -0.0051 0.0018 495 HIS 61 CD2 -0.0065 -0.0039 0.0019 496 HIS 61 CE1 -0.0054 -0.0049 0.0029 497 HIS 61 NE2 -0.0058 -0.0042 0.0030 498 HIS 61 H -0.0089 -0.0033 -0.0018 499 HIS 61 HA -0.0076 -0.0041 -0.0002 500 HIS 61 HB2 -0.0071 -0.0052 -0.0006 501 HIS 61 HB3 -0.0078 -0.0040 -0.0004 502 HIS 61 HD1 -0.0058 -0.0056 0.0015 503 HIS 61 HD2 -0.0070 -0.0033 0.0017 504 HIS 61 HE1 -0.0048 -0.0052 0.0037 505 PHE 62 N -0.0101 -0.0015 0.0015 506 PHE 62 CA -0.0095 -0.0002 0.0021 507 PHE 62 C -0.0101 0.0009 0.0017 508 PHE 62 O -0.0098 0.0020 0.0020 509 PHE 62 CB -0.0093 0.0003 0.0023 510 PHE 62 CG -0.0088 -0.0008 0.0026 511 PHE 62 CD1 -0.0079 -0.0015 0.0032 512 PHE 62 CD2 -0.0093 -0.0010 0.0022 513 PHE 62 CE1 -0.0074 -0.0025 0.0035 514 PHE 62 CE2 -0.0089 -0.0020 0.0024 515 PHE 62 CZ -0.0080 -0.0027 0.0031 516 PHE 62 H -0.0106 -0.0016 0.0011 517 PHE 62 HA -0.0088 -0.0004 0.0026 518 PHE 62 HB2 -0.0100 0.0008 0.0018 519 PHE 62 HB3 -0.0087 0.0010 0.0028 520 PHE 62 HD1 -0.0075 -0.0013 0.0036 521 PHE 62 HD2 -0.0101 -0.0004 0.0017 522 PHE 62 HE1 -0.0067 -0.0030 0.0040 523 PHE 62 HE2 -0.0093 -0.0021 0.0021 524 PHE 62 HZ -0.0077 -0.0035 0.0032 525 ARG 63 N -0.0108 0.0021 -0.0004 526 ARG 63 CA -0.0112 0.0028 -0.0018 527 ARG 63 C -0.0115 0.0031 -0.0023 528 ARG 63 O -0.0120 0.0036 -0.0035 529 ARG 63 CB -0.0124 0.0026 -0.0023 530 ARG 63 CG -0.0119 0.0026 -0.0019 531 ARG 63 CD -0.0131 0.0023 -0.0024 532 ARG 63 NE -0.0137 0.0029 -0.0038 533 ARG 63 CZ -0.0146 0.0029 -0.0045 534 ARG 63 NH1 -0.0150 0.0023 -0.0040 535 ARG 63 NH2 -0.0151 0.0035 -0.0058 536 ARG 63 H -0.0114 0.0014 0.0002 537 ARG 63 HA -0.0103 0.0035 -0.0021 538 ARG 63 HB2 -0.0132 0.0018 -0.0018 539 ARG 63 HB3 -0.0127 0.0031 -0.0033 540 ARG 63 HG2 -0.0111 0.0033 -0.0024 541 ARG 63 HG3 -0.0116 0.0021 -0.0009 542 ARG 63 HD2 -0.0128 0.0023 -0.0022 543 ARG 63 HD3 -0.0139 0.0015 -0.0019 544 ARG 63 HE -0.0134 0.0033 -0.0042 545 ARG 63 HH11 -0.0146 0.0019 -0.0031 546 ARG 63 HH12 -0.0157 0.0023 -0.0045 547 ARG 63 HH21 -0.0149 0.0039 -0.0062 548 ARG 63 HH22 -0.0158 0.0035 -0.0064 549 SER 64 N -0.0145 0.0020 -0.0031 550 SER 64 CA -0.0153 0.0016 -0.0038 551 SER 64 C -0.0136 0.0026 -0.0042 552 SER 64 O -0.0126 0.0029 -0.0026 553 SER 64 CB -0.0165 0.0007 -0.0019 554 SER 64 OG -0.0178 -0.0001 -0.0011 555 SER 64 H -0.0143 0.0019 -0.0015 556 SER 64 HA -0.0163 0.0013 -0.0053 557 SER 64 HB2 -0.0155 0.0011 -0.0006 558 SER 64 HB3 -0.0174 0.0004 -0.0025 559 SER 64 HG -0.0189 -0.0005 -0.0022 560 LYS 65 N -0.0163 0.0052 -0.0054 561 LYS 65 CA -0.0120 0.0052 -0.0086 562 LYS 65 C -0.0133 0.0052 -0.0092 563 LYS 65 O -0.0094 0.0052 -0.0093 564 LYS 65 CB -0.0105 0.0051 -0.0143 565 LYS 65 CG -0.0154 0.0050 -0.0183 566 LYS 65 CD -0.0187 0.0050 -0.0206 567 LYS 65 CE -0.0235 0.0049 -0.0245 568 LYS 65 NZ -0.0269 0.0049 -0.0264 569 LYS 65 H -0.0184 0.0052 -0.0072 570 LYS 65 HA -0.0083 0.0053 -0.0060 571 LYS 65 HB2 -0.0078 0.0051 -0.0167 572 LYS 65 HB3 -0.0082 0.0051 -0.0134 573 LYS 65 HG2 -0.0138 0.0050 -0.0219 574 LYS 65 HG3 -0.0183 0.0051 -0.0161 575 LYS 65 HD2 -0.0204 0.0050 -0.0171 576 LYS 65 HD3 -0.0158 0.0050 -0.0229 577 LYS 65 HE2 -0.0217 0.0049 -0.0281 578 LYS 65 HE3 -0.0261 0.0049 -0.0222 579 LYS 65 HZ1 -0.0244 0.0048 -0.0287 580 LYS 65 HZ2 -0.0288 0.0049 -0.0231 581 LYS 65 HZ3 -0.0300 0.0048 -0.0292 582 ASP 66 N -0.0168 0.0024 -0.0117 583 ASP 66 CA -0.0188 0.0021 -0.0119 584 ASP 66 C -0.0176 0.0025 -0.0059 585 ASP 66 O -0.0165 0.0026 -0.0056 586 ASP 66 CB -0.0255 0.0013 -0.0134 587 ASP 66 CG -0.0276 0.0010 -0.0148 588 ASP 66 OD1 -0.0274 0.0008 -0.0202 589 ASP 66 OD2 -0.0297 0.0008 -0.0107 590 ASP 66 H -0.0199 0.0020 -0.0116 591 ASP 66 HA -0.0163 0.0024 -0.0155 592 ASP 66 HB2 -0.0263 0.0011 -0.0173 593 ASP 66 HB3 -0.0280 0.0011 -0.0096 594 HIS 67 N -0.0127 0.0011 -0.0000 595 HIS 67 CA -0.0116 0.0004 0.0032 596 HIS 67 C -0.0087 0.0025 0.0041 597 HIS 67 O -0.0072 0.0026 0.0064 598 HIS 67 CB -0.0129 -0.0010 0.0038 599 HIS 67 CG -0.0123 -0.0020 0.0070 600 HIS 67 ND1 -0.0118 -0.0028 0.0095 601 HIS 67 CD2 -0.0128 -0.0029 0.0079 602 HIS 67 CE1 -0.0121 -0.0043 0.0118 603 HIS 67 NE2 -0.0128 -0.0044 0.0110 604 HIS 67 H -0.0139 0.0008 -0.0016 605 HIS 67 HA -0.0120 -0.0007 0.0048 606 HIS 67 HB2 -0.0151 -0.0026 0.0033 607 HIS 67 HB3 -0.0125 0.0001 0.0024 608 HIS 67 HD1 -0.0112 -0.0024 0.0096 609 HIS 67 HD2 -0.0128 -0.0022 0.0064 610 HIS 67 HE1 -0.0119 -0.0052 0.0142 611 LYS 68 N -0.0078 0.0048 0.0008 612 LYS 68 CA -0.0051 0.0056 0.0012 613 LYS 68 C -0.0035 0.0068 -0.0001 614 LYS 68 O -0.0012 0.0073 0.0007 615 LYS 68 CB -0.0048 0.0062 0.0002 616 LYS 68 CG -0.0066 0.0050 0.0014 617 LYS 68 CD -0.0063 0.0055 0.0004 618 LYS 68 CE -0.0072 0.0065 -0.0026 619 LYS 68 NZ -0.0071 0.0070 -0.0036 620 LYS 68 H -0.0091 0.0048 -0.0003 621 LYS 68 HA -0.0044 0.0050 0.0032 622 LYS 68 HB2 -0.0054 0.0069 -0.0018 623 LYS 68 HB3 -0.0028 0.0067 0.0007 624 LYS 68 HG2 -0.0063 0.0041 0.0035 625 LYS 68 HG3 -0.0086 0.0044 0.0010 626 LYS 68 HD2 -0.0043 0.0062 0.0007 627 LYS 68 HD3 -0.0075 0.0047 0.0013 628 LYS 68 HE2 -0.0093 0.0059 -0.0029 629 LYS 68 HE3 -0.0060 0.0074 -0.0035 630 LYS 68 HZ1 -0.0052 0.0076 -0.0033 631 LYS 68 HZ2 -0.0078 0.0076 -0.0056 632 LYS 68 HZ3 -0.0084 0.0062 -0.0027 633 LYS 69 N -0.0038 0.0071 -0.0051 634 LYS 69 CA -0.0032 0.0075 -0.0088 635 LYS 69 C -0.0044 0.0069 -0.0041 636 LYS 69 O -0.0008 0.0081 -0.0040 637 LYS 69 CB -0.0082 0.0061 -0.0144 638 LYS 69 CG -0.0100 0.0057 -0.0179 639 LYS 69 CD -0.0157 0.0041 -0.0226 640 LYS 69 CE -0.0184 0.0033 -0.0263 641 LYS 69 NZ -0.0242 0.0016 -0.0305 642 LYS 69 H -0.0070 0.0062 -0.0068 643 LYS 69 HA 0.0016 0.0092 -0.0110 644 LYS 69 HB2 -0.0066 0.0068 -0.0184 645 LYS 69 HB3 -0.0126 0.0046 -0.0123 646 LYS 69 HG2 -0.0113 0.0051 -0.0138 647 LYS 69 HG3 -0.0059 0.0072 -0.0207 648 LYS 69 HD2 -0.0139 0.0048 -0.0264 649 LYS 69 HD3 -0.0194 0.0027 -0.0197 650 LYS 69 HE2 -0.0199 0.0027 -0.0226 651 LYS 69 HE3 -0.0148 0.0046 -0.0296 652 LYS 69 HZ1 -0.0264 0.0010 -0.0330 653 LYS 69 HZ2 -0.0276 0.0004 -0.0273 654 LYS 69 HZ3 -0.0228 0.0022 -0.0340 655 ARG 70 N -0.0081 0.0038 -0.0006 656 ARG 70 CA -0.0091 0.0025 0.0051 657 ARG 70 C -0.0049 0.0051 0.0102 658 ARG 70 O -0.0035 0.0058 0.0141 659 ARG 70 CB -0.0144 -0.0016 0.0074 660 ARG 70 CG -0.0159 -0.0032 0.0130 661 ARG 70 CD -0.0159 -0.0031 0.0113 662 ARG 70 NE -0.0171 -0.0045 0.0166 663 ARG 70 CZ -0.0154 -0.0033 0.0175 664 ARG 70 NH1 -0.0123 -0.0007 0.0134 665 ARG 70 NH2 -0.0168 -0.0048 0.0225 666 ARG 70 H -0.0104 0.0022 -0.0019 667 ARG 70 HA -0.0090 0.0027 0.0039 668 ARG 70 HB2 -0.0172 -0.0033 0.0036 669 ARG 70 HB3 -0.0142 -0.0016 0.0090 670 ARG 70 HG2 -0.0197 -0.0061 0.0143 671 ARG 70 HG3 -0.0132 -0.0016 0.0170 672 ARG 70 HD2 -0.0122 -0.0002 0.0099 673 ARG 70 HD3 -0.0187 -0.0048 0.0074 674 ARG 70 HE -0.0194 -0.0064 0.0196 675 ARG 70 HH11 -0.0112 0.0005 0.0095 676 ARG 70 HH12 -0.0110 0.0003 0.0140 677 ARG 70 HH21 -0.0191 -0.0068 0.0256 678 ARG 70 HH22 -0.0156 -0.0040 0.0234 679 LEU 71 N -0.0034 0.0052 0.0100 680 LEU 71 CA -0.0005 0.0064 0.0132 681 LEU 71 C 0.0033 0.0098 0.0127 682 LEU 71 O 0.0059 0.0107 0.0161 683 LEU 71 CB -0.0010 0.0064 0.0122 684 LEU 71 CG -0.0048 0.0030 0.0124 685 LEU 71 CD1 -0.0048 0.0034 0.0117 686 LEU 71 CD2 -0.0057 0.0004 0.0170 687 LEU 71 H -0.0050 0.0049 0.0075 688 LEU 71 HA -0.0008 0.0048 0.0166 689 LEU 71 HB2 -0.0007 0.0081 0.0088 690 LEU 71 HB3 0.0012 0.0073 0.0145 691 LEU 71 HG -0.0070 0.0023 0.0098 692 LEU 71 HD11 -0.0026 0.0042 0.0143 693 LEU 71 HD12 -0.0042 0.0052 0.0084 694 LEU 71 HD13 -0.0074 0.0010 0.0118 695 LEU 71 HD21 -0.0059 0.0000 0.0173 696 LEU 71 HD22 -0.0035 0.0011 0.0197 697 LEU 71 HD23 -0.0083 -0.0019 0.0170 698 LYS 72 N 0.0053 0.0111 0.0081 699 LYS 72 CA 0.0113 0.0154 0.0056 700 LYS 72 C 0.0128 0.0156 0.0074 701 LYS 72 O 0.0185 0.0180 0.0096 702 LYS 72 CB 0.0106 0.0180 -0.0024 703 LYS 72 CG 0.0167 0.0226 -0.0057 704 LYS 72 CD 0.0157 0.0250 -0.0135 705 LYS 72 CE 0.0218 0.0296 -0.0167 706 LYS 72 NZ 0.0210 0.0320 -0.0243 707 LYS 72 H 0.0015 0.0103 0.0046 708 LYS 72 HA 0.0153 0.0167 0.0084 709 LYS 72 HB2 0.0094 0.0178 -0.0035 710 LYS 72 HB3 0.0065 0.0167 -0.0051 711 LYS 72 HG2 0.0176 0.0229 -0.0051 712 LYS 72 HG3 0.0209 0.0240 -0.0029 713 LYS 72 HD2 0.0147 0.0246 -0.0141 714 LYS 72 HD3 0.0115 0.0236 -0.0163 715 LYS 72 HE2 0.0226 0.0299 -0.0163 716 LYS 72 HE3 0.0260 0.0308 -0.0138 717 LYS 72 HZ1 0.0170 0.0308 -0.0274 718 LYS 72 HZ2 0.0202 0.0317 -0.0249 719 LYS 72 HZ3 0.0252 0.0351 -0.0264 720 GLN 73 N 0.0077 0.0140 0.0070 721 GLN 73 CA 0.0075 0.0133 0.0091 722 GLN 73 C 0.0086 0.0123 0.0171 723 GLN 73 O 0.0117 0.0138 0.0198 724 GLN 73 CB 0.0015 0.0098 0.0064 725 GLN 73 CG 0.0001 0.0107 -0.0016 726 GLN 73 CD -0.0060 0.0071 -0.0041 727 GLN 73 OE1 -0.0102 0.0034 -0.0005 728 GLN 73 NE2 -0.0066 0.0080 -0.0102 729 GLN 73 H 0.0041 0.0120 0.0049 730 GLN 73 HA 0.0109 0.0161 0.0069 731 GLN 73 HB2 -0.0020 0.0070 0.0085 732 GLN 73 HB3 0.0013 0.0094 0.0081 733 GLN 73 HG2 0.0033 0.0134 -0.0037 734 GLN 73 HG3 0.0003 0.0112 -0.0034 735 GLN 73 HE21 -0.0031 0.0109 -0.0127 736 GLN 73 HE22 -0.0105 0.0058 -0.0121 737 LEU 74 N 0.0056 0.0099 0.0202 738 LEU 74 CA 0.0061 0.0084 0.0275 739 LEU 74 C 0.0115 0.0121 0.0307 740 LEU 74 O 0.0131 0.0118 0.0369 741 LEU 74 CB 0.0013 0.0039 0.0293 742 LEU 74 CG 0.0008 0.0015 0.0369 743 LEU 74 CD1 0.0004 0.0003 0.0399 744 LEU 74 CD2 -0.0041 -0.0029 0.0377 745 LEU 74 H 0.0034 0.0088 0.0173 746 LEU 74 HA 0.0060 0.0077 0.0295 747 LEU 74 HB2 -0.0024 0.0016 0.0265 748 LEU 74 HB3 0.0019 0.0049 0.0274 749 LEU 74 HG 0.0043 0.0037 0.0396 750 LEU 74 HD11 -0.0000 -0.0015 0.0452 751 LEU 74 HD12 -0.0031 -0.0019 0.0372 752 LEU 74 HD13 0.0040 0.0034 0.0396 753 LEU 74 HD21 -0.0077 -0.0052 0.0350 754 LEU 74 HD22 -0.0044 -0.0046 0.0430 755 LEU 74 HD23 -0.0038 -0.0021 0.0357 756 SER 75 N 0.0142 0.0132 0.0244 757 SER 75 CA 0.0193 0.0158 0.0264 758 SER 75 C 0.0183 0.0134 0.0302 759 SER 75 O 0.0222 0.0145 0.0337 760 SER 75 CB 0.0244 0.0177 0.0300 761 SER 75 OG 0.0295 0.0205 0.0317 762 SER 75 H 0.0121 0.0137 0.0201 763 SER 75 HA 0.0203 0.0184 0.0222 764 SER 75 HB2 0.0249 0.0194 0.0272 765 SER 75 HB3 0.0234 0.0151 0.0342 766 SER 75 HG 0.0324 0.0229 0.0307 767 VAL 76 N 0.0083 0.0132 0.0261 768 VAL 76 CA 0.0071 0.0112 0.0275 769 VAL 76 C 0.0087 0.0140 0.0254 770 VAL 76 O 0.0108 0.0148 0.0280 771 VAL 76 CB 0.0028 0.0076 0.0257 772 VAL 76 CG1 0.0016 0.0056 0.0270 773 VAL 76 CG2 0.0011 0.0047 0.0277 774 VAL 76 H 0.0065 0.0124 0.0241 775 VAL 76 HA 0.0082 0.0103 0.0313 776 VAL 76 HB 0.0018 0.0086 0.0218 777 VAL 76 HG11 -0.0014 0.0031 0.0257 778 VAL 76 HG12 0.0026 0.0046 0.0308 779 VAL 76 HG13 0.0027 0.0076 0.0253 780 VAL 76 HG21 -0.0019 0.0022 0.0264 781 VAL 76 HG22 0.0020 0.0062 0.0266 782 VAL 76 HG23 0.0022 0.0037 0.0316 783 GLU 77 N 0.0124 0.0092 0.0225 784 GLU 77 CA 0.0140 0.0118 0.0201 785 GLU 77 C 0.0149 0.0157 0.0149 786 GLU 77 O 0.0116 0.0154 0.0107 787 GLU 77 CB 0.0104 0.0094 0.0193 788 GLU 77 CG 0.0052 0.0069 0.0163 789 GLU 77 CD 0.0019 0.0049 0.0154 790 GLU 77 OE1 0.0008 0.0017 0.0191 791 GLU 77 OE2 0.0004 0.0063 0.0108 792 GLU 77 H 0.0103 0.0089 0.0200 793 GLU 77 HA 0.0174 0.0129 0.0229 794 GLU 77 HB2 0.0115 0.0117 0.0169 795 GLU 77 HB3 0.0107 0.0074 0.0231 796 GLU 77 HG2 0.0039 0.0045 0.0186 797 GLU 77 HG3 0.0049 0.0090 0.0125 798 PRO 78 N 0.0239 0.0144 0.0162 799 PRO 78 CA 0.0263 0.0170 0.0102 800 PRO 78 C 0.0271 0.0178 0.0085 801 PRO 78 O 0.0300 0.0177 0.0120 802 PRO 78 CB 0.0325 0.0188 0.0112 803 PRO 78 CG 0.0323 0.0170 0.0170 804 PRO 78 CD 0.0282 0.0145 0.0208 805 PRO 78 HA 0.0234 0.0170 0.0067 806 PRO 78 HB2 0.0360 0.0199 0.0116 807 PRO 78 HB3 0.0331 0.0201 0.0074 808 PRO 78 HG2 0.0367 0.0178 0.0193 809 PRO 78 HG3 0.0304 0.0167 0.0161 810 PRO 78 HD2 0.0308 0.0146 0.0235 811 PRO 78 HD3 0.0259 0.0128 0.0237 812 TYR 79 N 0.0267 0.0126 0.0032 813 TYR 79 CA 0.0224 0.0128 0.0025 814 TYR 79 C 0.0160 0.0079 0.0072 815 TYR 79 O 0.0177 0.0032 0.0124 816 TYR 79 CB 0.0283 0.0134 0.0026 817 TYR 79 CG 0.0339 0.0187 -0.0026 818 TYR 79 CD1 0.0415 0.0190 -0.0021 819 TYR 79 CD2 0.0316 0.0236 -0.0081 820 TYR 79 CE1 0.0466 0.0239 -0.0069 821 TYR 79 CE2 0.0366 0.0286 -0.0129 822 TYR 79 CZ 0.0441 0.0287 -0.0122 823 TYR 79 OH 0.0492 0.0336 -0.0171 824 TYR 79 H 0.0256 0.0155 0.0000 825 TYR 79 HA 0.0190 0.0166 -0.0018 826 TYR 79 HB2 0.0322 0.0098 0.0068 827 TYR 79 HB3 0.0247 0.0133 0.0023 828 TYR 79 HD1 0.0435 0.0152 0.0021 829 TYR 79 HD2 0.0256 0.0235 -0.0086 830 TYR 79 HE1 0.0525 0.0239 -0.0063 831 TYR 79 HE2 0.0346 0.0323 -0.0171 832 TYR 79 HH 0.0456 0.0365 -0.0205 833 SER 80 N 0.0075 0.0097 0.0008 834 SER 80 CA 0.0041 0.0076 0.0027 835 SER 80 C 0.0009 0.0081 0.0021 836 SER 80 O 0.0017 0.0097 0.0007 837 SER 80 CB 0.0022 0.0081 0.0022 838 SER 80 OG -0.0010 0.0059 0.0041 839 SER 80 H 0.0070 0.0118 -0.0012 840 SER 80 HA 0.0053 0.0053 0.0049 841 SER 80 HB2 0.0046 0.0079 0.0024 842 SER 80 HB3 0.0009 0.0103 -0.0000 843 SER 80 HG 0.0006 0.0041 0.0059 844 GLN 81 N -0.0053 0.0057 0.0001 845 GLN 81 CA -0.0067 0.0058 -0.0002 846 GLN 81 C -0.0073 0.0072 -0.0007 847 GLN 81 O -0.0067 0.0078 -0.0008 848 GLN 81 CB -0.0077 0.0046 0.0000 849 GLN 81 CG -0.0092 0.0045 -0.0002 850 GLN 81 CD -0.0101 0.0034 -0.0001 851 GLN 81 OE1 -0.0100 0.0031 0.0000 852 GLN 81 NE2 -0.0111 0.0028 -0.0001 853 GLN 81 H -0.0050 0.0051 0.0004 854 GLN 81 HA -0.0068 0.0057 -0.0002 855 GLN 81 HB2 -0.0072 0.0036 0.0004 856 GLN 81 HB3 -0.0077 0.0048 -0.0000 857 GLN 81 HG2 -0.0096 0.0055 -0.0006 858 GLN 81 HG3 -0.0091 0.0043 -0.0002 859 GLN 81 HE21 -0.0112 0.0031 -0.0002 860 GLN 81 HE22 -0.0118 0.0022 -0.0000 861 GLU 82 N -0.0109 0.0084 -0.0006 862 GLU 82 CA -0.0112 0.0092 -0.0011 863 GLU 82 C -0.0103 0.0092 -0.0019 864 GLU 82 O -0.0105 0.0098 -0.0024 865 GLU 82 CB -0.0120 0.0102 -0.0014 866 GLU 82 CG -0.0125 0.0111 -0.0019 867 GLU 82 CD -0.0132 0.0120 -0.0021 868 GLU 82 OE1 -0.0129 0.0124 -0.0029 869 GLU 82 OE2 -0.0142 0.0123 -0.0016 870 GLU 82 H -0.0109 0.0078 -0.0000 871 GLU 82 HA -0.0116 0.0090 -0.0005 872 GLU 82 HB2 -0.0126 0.0101 -0.0008 873 GLU 82 HB3 -0.0116 0.0103 -0.0020 874 GLU 82 HG2 -0.0119 0.0112 -0.0026 875 GLU 82 HG3 -0.0129 0.0109 -0.0014 876 GLU 83 N -0.0109 0.0120 -0.0011 877 GLU 83 CA -0.0063 0.0139 -0.0030 878 GLU 83 C -0.0055 0.0073 -0.0021 879 GLU 83 O -0.0076 0.0080 -0.0015 880 GLU 83 CB 0.0008 0.0162 -0.0061 881 GLU 83 CG 0.0060 0.0182 -0.0083 882 GLU 83 CD 0.0126 0.0212 -0.0113 883 GLU 83 OE1 0.0172 0.0169 -0.0121 884 GLU 83 OE2 0.0133 0.0280 -0.0128 885 GLU 83 H -0.0098 0.0074 -0.0006 886 GLU 83 HA -0.0090 0.0185 -0.0030 887 GLU 83 HB2 -0.0001 0.0209 -0.0066 888 GLU 83 HB3 0.0033 0.0116 -0.0061 889 GLU 83 HG2 0.0075 0.0133 -0.0079 890 GLU 83 HG3 0.0035 0.0224 -0.0082 891 ALA 84 N -0.0087 0.0066 0.0007 892 ALA 84 CA -0.0097 0.0021 0.0002 893 ALA 84 C -0.0155 -0.0031 -0.0003 894 ALA 84 O -0.0161 -0.0086 -0.0010 895 ALA 84 CB -0.0029 -0.0014 -0.0002 896 ALA 84 H -0.0058 0.0048 0.0005 897 ALA 84 HA -0.0114 0.0055 0.0006 898 ALA 84 HB1 -0.0038 -0.0047 -0.0006 899 ALA 84 HB2 -0.0010 -0.0045 -0.0006 900 ALA 84 HB3 0.0009 0.0025 0.0002 901 GLU 85 N -0.0181 -0.0024 0.0001 902 GLU 85 CA -0.0181 -0.0021 0.0013 903 GLU 85 C -0.0169 0.0003 0.0047 904 GLU 85 O -0.0147 0.0029 0.0044 905 GLU 85 CB -0.0166 -0.0011 -0.0019 906 GLU 85 CG -0.0168 -0.0012 -0.0012 907 GLU 85 CD -0.0155 0.0011 0.0017 908 GLU 85 OE1 -0.0133 0.0036 0.0008 909 GLU 85 OE2 -0.0167 0.0006 0.0050 910 GLU 85 H -0.0173 -0.0010 0.0014 911 GLU 85 HA -0.0200 -0.0041 0.0020 912 GLU 85 HB2 -0.0171 -0.0025 -0.0045 913 GLU 85 HB3 -0.0146 0.0012 -0.0021 914 GLU 85 HG2 -0.0188 -0.0033 -0.0001 915 GLU 85 HG3 -0.0163 -0.0013 -0.0039 916 ARG 86 N -0.0208 -0.0007 0.0076 917 ARG 86 CA -0.0157 -0.0006 0.0151 918 ARG 86 C -0.0128 -0.0005 0.0195 919 ARG 86 O -0.0164 -0.0028 0.0190 920 ARG 86 CB -0.0189 -0.0051 0.0204 921 ARG 86 CG -0.0268 -0.0108 0.0209 922 ARG 86 CD -0.0279 -0.0133 0.0248 923 ARG 86 NE -0.0356 -0.0184 0.0245 924 ARG 86 CZ -0.0385 -0.0211 0.0260 925 ARG 86 NH1 -0.0344 -0.0194 0.0284 926 ARG 86 NH2 -0.0456 -0.0256 0.0250 927 ARG 86 H -0.0251 -0.0035 0.0074 928 ARG 86 HA -0.0112 0.0032 0.0136 929 ARG 86 HB2 -0.0156 -0.0055 0.0264 930 ARG 86 HB3 -0.0186 -0.0039 0.0181 931 ARG 86 HG2 -0.0284 -0.0135 0.0244 932 ARG 86 HG3 -0.0301 -0.0104 0.0149 933 ARG 86 HD2 -0.0259 -0.0106 0.0218 934 ARG 86 HD3 -0.0250 -0.0141 0.0310 935 ARG 86 HE -0.0387 -0.0198 0.0228 936 ARG 86 HH11 -0.0291 -0.0161 0.0292 937 ARG 86 HH12 -0.0366 -0.0214 0.0296 938 ARG 86 HH21 -0.0488 -0.0270 0.0232 939 ARG 86 HH22 -0.0480 -0.0277 0.0260 940 ALA 87 N -0.0045 -0.0071 0.0203 941 ALA 87 CA 0.0048 -0.0068 0.0236 942 ALA 87 C 0.0076 -0.0163 0.0267 943 ALA 87 O 0.0144 -0.0179 0.0296 944 ALA 87 CB 0.0091 -0.0007 0.0239 945 ALA 87 H -0.0067 -0.0077 0.0196 946 ALA 87 HA 0.0065 -0.0042 0.0237 947 ALA 87 HB1 0.0073 -0.0032 0.0238 948 ALA 87 HB2 0.0071 0.0061 0.0217 949 ALA 87 HB3 0.0160 -0.0006 0.0265 950 ALA 88 N 0.0094 -0.0252 0.0305 951 ALA 88 CA 0.0092 -0.0355 0.0389 952 ALA 88 C 0.0023 -0.0394 0.0400 953 ALA 88 O -0.0089 -0.0429 0.0395 954 ALA 88 CB 0.0036 -0.0410 0.0417 955 ALA 88 H 0.0017 -0.0228 0.0262 956 ALA 88 HA 0.0185 -0.0366 0.0426 957 ALA 88 HB1 -0.0058 -0.0401 0.0381 958 ALA 88 HB2 0.0087 -0.0381 0.0409 959 ALA 88 HB3 0.0039 -0.0488 0.0482 960 GLY 89 N 0.0162 -0.0448 0.0387 961 GLY 89 CA 0.0115 -0.0412 0.0378 962 GLY 89 C 0.0170 -0.0408 0.0333 963 GLY 89 O 0.0225 -0.0458 0.0353 964 GLY 89 H 0.0218 -0.0455 0.0354 965 GLY 89 HA2 0.0081 -0.0436 0.0432 966 GLY 89 HA3 0.0072 -0.0364 0.0350 967 MET 90 N 0.0104 -0.0387 0.0256 968 MET 90 CA 0.0015 -0.0386 0.0134 969 MET 90 C 0.0068 -0.0212 -0.0113 970 MET 90 O -0.0055 -0.0198 -0.0304 971 MET 90 CB -0.0242 -0.0561 0.0105 972 MET 90 CG -0.0347 -0.0596 0.0025 973 MET 90 SD -0.0337 -0.0423 -0.0276 974 MET 90 CE -0.0491 -0.0522 -0.0304 975 MET 90 H 0.0220 -0.0388 0.0415 976 MET 90 HA 0.0106 -0.0382 0.0250 977 MET 90 HB2 -0.0271 -0.0679 0.0279 978 MET 90 HB3 -0.0332 -0.0554 -0.0029 979 MET 90 HG2 -0.0258 -0.0603 0.0159 980 MET 90 HG3 -0.0521 -0.0726 0.0028 981 MET 90 HE1 -0.0406 -0.0540 -0.0157 982 MET 90 HE2 -0.0500 -0.0433 -0.0479 983 MET 90 HE3 -0.0659 -0.0653 -0.0293 984 GLY 91 N 0.0262 -0.0175 -0.0166 985 GLY 91 CA 0.0304 -0.0014 -0.0340 986 GLY 91 C 0.0288 -0.0028 -0.0332 987 GLY 91 O 0.0460 0.0035 -0.0312 988 GLY 91 H 0.0362 -0.0233 -0.0037 989 GLY 91 HA2 0.0177 0.0031 -0.0468 990 GLY 91 HA3 0.0474 0.0072 -0.0349 991 SER 92 N 0.0122 -0.0056 -0.0476 992 SER 92 CA 0.0111 -0.0058 -0.0482 993 SER 92 C 0.0029 -0.0020 -0.0614 994 SER 92 O -0.0088 -0.0062 -0.0657 995 SER 92 CB 0.0053 -0.0164 -0.0378 996 SER 92 OG 0.0133 -0.0198 -0.0255 997 SER 92 H 0.0042 -0.0098 -0.0486 998 SER 92 HA 0.0210 -0.0011 -0.0463 999 SER 92 HB2 -0.0045 -0.0212 -0.0396 1000 SER 92 HB3 0.0049 -0.0166 -0.0379 1001 SER 92 HG 0.0193 -0.0150 -0.0272 1002 TYR 93 N -0.0013 0.0049 -0.0828 1003 TYR 93 CA 0.0020 0.0019 -0.0576 1004 TYR 93 C -0.0037 -0.0054 -0.0539 1005 TYR 93 O -0.0133 -0.0116 -0.0701 1006 TYR 93 CB -0.0078 -0.0121 -0.0455 1007 TYR 93 CG -0.0037 -0.0146 -0.0186 1008 TYR 93 CD1 0.0090 -0.0038 -0.0067 1009 TYR 93 CD2 -0.0126 -0.0278 -0.0052 1010 TYR 93 CE1 0.0130 -0.0059 0.0176 1011 TYR 93 CE2 -0.0087 -0.0300 0.0192 1012 TYR 93 CZ 0.0040 -0.0191 0.0305 1013 TYR 93 OH 0.0080 -0.0212 0.0549 1014 TYR 93 H -0.0129 -0.0058 -0.0908 1015 TYR 93 HA 0.0152 0.0145 -0.0509 1016 TYR 93 HB2 -0.0054 -0.0078 -0.0514 1017 TYR 93 HB3 -0.0209 -0.0249 -0.0508 1018 TYR 93 HD1 0.0160 0.0065 -0.0170 1019 TYR 93 HD2 -0.0226 -0.0364 -0.0142 1020 TYR 93 HE1 0.0230 0.0027 0.0265 1021 TYR 93 HE2 -0.0157 -0.0403 0.0295 1022 TYR 93 HH 0.0089 -0.0215 0.0600 1023 VAL 94 N -0.0010 -0.0060 -0.0449 1024 VAL 94 CA -0.0095 -0.0180 -0.0351 1025 VAL 94 C -0.0400 -0.0523 -0.0352 1026 VAL 94 O -0.0496 -0.0697 -0.0092 1027 VAL 94 CB 0.0076 -0.0086 0.0038 1028 VAL 94 CG1 0.0068 -0.0183 0.0389 1029 VAL 94 CG2 -0.0012 -0.0205 0.0118 1030 VAL 94 H 0.0122 0.0040 -0.0257 1031 VAL 94 HA -0.0062 -0.0083 -0.0592 1032 VAL 94 HB 0.0282 0.0156 -0.0002 1033 VAL 94 HG11 0.0188 -0.0112 0.0647 1034 VAL 94 HG12 -0.0137 -0.0424 0.0431 1035 VAL 94 HG13 0.0147 -0.0080 0.0336 1036 VAL 94 HG21 -0.0221 -0.0447 0.0144 1037 VAL 94 HG22 0.0107 -0.0138 0.0386 1038 VAL 94 HG23 0.0014 -0.0115 -0.0121