1 ASP 28 N -0.0354 0.0479 0.0259 2 ASP 28 CA -0.0139 0.0345 -0.0145 3 ASP 28 C -0.0365 0.0625 -0.0432 4 ASP 28 O -0.0585 0.0802 -0.0223 5 ASP 28 CB 0.0137 0.0038 0.0033 6 ASP 28 CG 0.0372 -0.0118 -0.0364 7 ASP 28 OD1 0.0572 -0.0261 -0.0643 8 ASP 28 OD2 0.0374 -0.0115 -0.0388 9 ASP 28 H -0.0205 0.0291 0.0467 10 ASP 28 HA -0.0015 0.0265 -0.0365 11 ASP 28 HB2 0.0296 -0.0159 0.0234 12 ASP 28 HB3 0.0009 0.0119 0.0261 13 PRO 29 N -0.0111 -0.0245 0.0049 14 PRO 29 CA 0.0008 -0.0216 0.0041 15 PRO 29 C 0.0104 -0.0319 0.0005 16 PRO 29 O 0.0127 -0.0363 -0.0008 17 PRO 29 CB 0.0060 -0.0094 0.0063 18 PRO 29 CG -0.0050 -0.0041 0.0089 19 PRO 29 CD -0.0136 -0.0151 0.0074 20 PRO 29 HA -0.0010 -0.0200 0.0047 21 PRO 29 HB2 0.0138 -0.0118 0.0048 22 PRO 29 HB3 0.0096 -0.0031 0.0073 23 PRO 29 HG2 -0.0016 0.0008 0.0096 24 PRO 29 HG3 -0.0101 0.0022 0.0110 25 PRO 29 HD2 -0.0111 -0.0186 0.0063 26 PRO 29 HD3 -0.0235 -0.0122 0.0092 27 ASN 30 N 0.0062 -0.0151 -0.0029 28 ASN 30 CA -0.0024 -0.0071 0.0062 29 ASN 30 C 0.0133 -0.0065 0.0280 30 ASN 30 O 0.0268 -0.0142 0.0263 31 ASN 30 CB -0.0078 -0.0121 -0.0136 32 ASN 30 CG -0.0166 -0.0045 -0.0061 33 ASN 30 OD1 -0.0368 0.0058 -0.0065 34 ASN 30 ND2 -0.0019 -0.0096 0.0002 35 ASN 30 H -0.0038 -0.0110 -0.0056 36 ASN 30 HA -0.0179 0.0033 0.0118 37 ASN 30 HB2 -0.0204 -0.0109 -0.0272 38 ASN 30 HB3 0.0077 -0.0228 -0.0202 39 ASN 30 HD21 0.0140 -0.0181 -0.0002 40 ASN 30 HD22 -0.0072 -0.0049 0.0053 41 ALA 31 N 0.0081 -0.0099 0.0216 42 ALA 31 CA 0.0078 0.0118 0.0084 43 ALA 31 C 0.0082 -0.0162 -0.0208 44 ALA 31 O 0.0082 -0.0170 -0.0597 45 ALA 31 CB 0.0073 0.0542 -0.0137 46 ALA 31 H 0.0085 -0.0360 0.0065 47 ALA 31 HA 0.0078 0.0185 0.0367 48 ALA 31 HB1 0.0070 0.0701 -0.0218 49 ALA 31 HB2 0.0073 0.0481 -0.0423 50 ALA 31 HB3 0.0070 0.0741 0.0073 51 GLU 32 N 0.0048 -0.0219 0.0242 52 GLU 32 CA 0.0169 -0.0058 0.0249 53 GLU 32 C 0.0198 0.0075 0.0236 54 GLU 32 O 0.0324 0.0199 0.0251 55 GLU 32 CB 0.0083 0.0050 0.0207 56 GLU 32 CG -0.0106 0.0132 0.0140 57 GLU 32 CD -0.0179 0.0243 0.0101 58 GLU 32 OE1 -0.0135 0.0419 0.0085 59 GLU 32 OE2 -0.0280 0.0157 0.0087 60 GLU 32 H -0.0084 -0.0212 0.0203 61 GLU 32 HA 0.0298 -0.0117 0.0296 62 GLU 32 HB2 0.0179 0.0167 0.0215 63 GLU 32 HB3 0.0066 -0.0050 0.0219 64 GLU 32 HG2 -0.0206 0.0016 0.0131 65 GLU 32 HG3 -0.0092 0.0227 0.0128 66 PHE 33 N -0.0057 -0.0211 -0.0011 67 PHE 33 CA -0.0046 -0.0200 -0.0002 68 PHE 33 C -0.0071 -0.0060 -0.0074 69 PHE 33 O -0.0083 0.0034 -0.0115 70 PHE 33 CB 0.0060 -0.0202 0.0125 71 PHE 33 CG 0.0136 -0.0090 0.0181 72 PHE 33 CD1 0.0163 0.0052 0.0170 73 PHE 33 CD2 0.0179 -0.0127 0.0243 74 PHE 33 CE1 0.0230 0.0153 0.0220 75 PHE 33 CE2 0.0246 -0.0026 0.0292 76 PHE 33 CZ 0.0272 0.0114 0.0281 77 PHE 33 H -0.0008 -0.0153 0.0029 78 PHE 33 HA -0.0094 -0.0292 -0.0031 79 PHE 33 HB2 0.0071 -0.0179 0.0130 80 PHE 33 HB3 0.0074 -0.0308 0.0173 81 PHE 33 HD1 0.0130 0.0082 0.0122 82 PHE 33 HD2 0.0159 -0.0237 0.0252 83 PHE 33 HE1 0.0250 0.0263 0.0210 84 PHE 33 HE2 0.0280 -0.0056 0.0341 85 PHE 33 HZ 0.0325 0.0194 0.0320 86 ASP 34 N -0.0030 0.0101 -0.0154 87 ASP 34 CA -0.0055 0.0125 -0.0157 88 ASP 34 C -0.0040 0.0133 -0.0148 89 ASP 34 O -0.0024 0.0110 -0.0149 90 ASP 34 CB -0.0086 0.0108 -0.0178 91 ASP 34 CG -0.0114 0.0133 -0.0182 92 ASP 34 OD1 -0.0113 0.0140 -0.0179 93 ASP 34 OD2 -0.0137 0.0146 -0.0188 94 ASP 34 H -0.0026 0.0077 -0.0162 95 ASP 34 HA -0.0060 0.0148 -0.0152 96 ASP 34 HB2 -0.0094 0.0099 -0.0185 97 ASP 34 HB3 -0.0080 0.0087 -0.0184 98 PRO 35 N -0.0037 -0.0041 -0.0132 99 PRO 35 CA -0.0123 -0.0135 -0.0220 100 PRO 35 C -0.0173 -0.0222 -0.0217 101 PRO 35 O -0.0247 -0.0307 -0.0285 102 PRO 35 CB -0.0146 -0.0207 -0.0165 103 PRO 35 CG -0.0092 -0.0207 -0.0016 104 PRO 35 CD -0.0014 -0.0082 -0.0001 105 PRO 35 HA -0.0136 -0.0092 -0.0324 106 PRO 35 HB2 -0.0209 -0.0301 -0.0188 107 PRO 35 HB3 -0.0135 -0.0161 -0.0210 108 PRO 35 HG2 -0.0119 -0.0281 0.0032 109 PRO 35 HG3 -0.0083 -0.0217 0.0026 110 PRO 35 HD2 0.0010 -0.0092 0.0083 111 PRO 35 HD3 0.0029 -0.0017 0.0013 112 ASP 36 N -0.0127 -0.0202 -0.0277 113 ASP 36 CA -0.0097 -0.0159 -0.0276 114 ASP 36 C -0.0104 -0.0151 -0.0243 115 ASP 36 O -0.0088 -0.0115 -0.0219 116 ASP 36 CB -0.0074 -0.0153 -0.0327 117 ASP 36 CG -0.0044 -0.0109 -0.0327 118 ASP 36 OD1 -0.0024 -0.0078 -0.0321 119 ASP 36 OD2 -0.0039 -0.0106 -0.0335 120 ASP 36 H -0.0136 -0.0227 -0.0297 121 ASP 36 HA -0.0087 -0.0137 -0.0261 122 ASP 36 HB2 -0.0069 -0.0156 -0.0349 123 ASP 36 HB3 -0.0085 -0.0177 -0.0343 124 LEU 37 N -0.0066 -0.0014 -0.0162 125 LEU 37 CA -0.0079 -0.0026 -0.0122 126 LEU 37 C -0.0083 -0.0033 -0.0090 127 LEU 37 O -0.0101 -0.0039 -0.0101 128 LEU 37 CB -0.0118 -0.0041 -0.0128 129 LEU 37 CG -0.0115 -0.0036 -0.0147 130 LEU 37 CD1 -0.0085 -0.0029 -0.0121 131 LEU 37 CD2 -0.0104 -0.0024 -0.0194 132 LEU 37 H -0.0086 -0.0018 -0.0185 133 LEU 37 HA -0.0055 -0.0018 -0.0110 134 LEU 37 HB2 -0.0138 -0.0046 -0.0148 135 LEU 37 HB3 -0.0130 -0.0051 -0.0097 136 LEU 37 HG -0.0144 -0.0049 -0.0146 137 LEU 37 HD11 -0.0084 -0.0026 -0.0135 138 LEU 37 HD12 -0.0056 -0.0016 -0.0120 139 LEU 37 HD13 -0.0095 -0.0038 -0.0089 140 LEU 37 HD21 -0.0102 -0.0021 -0.0206 141 LEU 37 HD22 -0.0126 -0.0030 -0.0213 142 LEU 37 HD23 -0.0075 -0.0011 -0.0195 143 PRO 38 N -0.0095 -0.0040 0.0024 144 PRO 38 CA -0.0088 -0.0047 0.0042 145 PRO 38 C -0.0086 -0.0071 0.0044 146 PRO 38 O -0.0089 -0.0083 0.0029 147 PRO 38 CB -0.0089 -0.0043 0.0040 148 PRO 38 CG -0.0096 -0.0026 0.0025 149 PRO 38 CD -0.0100 -0.0029 0.0011 150 PRO 38 HA -0.0085 -0.0040 0.0056 151 PRO 38 HB2 -0.0090 -0.0057 0.0034 152 PRO 38 HB3 -0.0086 -0.0038 0.0054 153 PRO 38 HG2 -0.0098 -0.0027 0.0017 154 PRO 38 HG3 -0.0095 -0.0011 0.0033 155 PRO 38 HD2 -0.0103 -0.0040 -0.0001 156 PRO 38 HD3 -0.0103 -0.0015 0.0006 157 GLY 39 N -0.0015 -0.0052 0.0073 158 GLY 39 CA 0.0004 -0.0056 0.0072 159 GLY 39 C 0.0008 -0.0050 0.0083 160 GLY 39 O 0.0020 -0.0054 0.0079 161 GLY 39 H -0.0017 -0.0048 0.0080 162 GLY 39 HA2 0.0015 -0.0056 0.0075 163 GLY 39 HA3 0.0005 -0.0064 0.0059 164 GLY 40 N -0.0042 -0.0071 -0.0046 165 GLY 40 CA -0.0047 -0.0064 -0.0047 166 GLY 40 C -0.0059 -0.0070 -0.0057 167 GLY 40 O -0.0064 -0.0067 -0.0058 168 GLY 40 H -0.0043 -0.0064 -0.0044 169 GLY 40 HA2 -0.0050 -0.0052 -0.0044 170 GLY 40 HA3 -0.0039 -0.0067 -0.0043 171 GLY 41 N -0.0085 -0.0003 -0.0048 172 GLY 41 CA -0.0096 -0.0007 -0.0045 173 GLY 41 C -0.0094 -0.0007 -0.0046 174 GLY 41 O -0.0102 -0.0009 -0.0044 175 GLY 41 H -0.0081 -0.0008 -0.0051 176 GLY 41 HA2 -0.0098 -0.0016 -0.0046 177 GLY 41 HA3 -0.0102 -0.0001 -0.0042 178 LEU 42 N -0.0031 0.0019 0.0025 179 LEU 42 CA -0.0000 0.0054 0.0016 180 LEU 42 C 0.0013 0.0022 -0.0023 181 LEU 42 O 0.0034 0.0044 -0.0030 182 LEU 42 CB 0.0042 0.0096 -0.0003 183 LEU 42 CG 0.0035 0.0133 0.0032 184 LEU 42 CD1 0.0080 0.0171 0.0008 185 LEU 42 CD2 0.0013 0.0167 0.0082 186 LEU 42 H -0.0017 0.0010 0.0003 187 LEU 42 HA -0.0016 0.0077 0.0050 188 LEU 42 HB2 0.0057 0.0072 -0.0038 189 LEU 42 HB3 0.0064 0.0121 -0.0010 190 LEU 42 HG 0.0014 0.0107 0.0037 191 LEU 42 HD11 0.0075 0.0197 0.0033 192 LEU 42 HD12 0.0103 0.0197 0.0000 193 LEU 42 HD13 0.0094 0.0147 -0.0026 194 LEU 42 HD21 0.0033 0.0192 0.0077 195 LEU 42 HD22 0.0009 0.0193 0.0105 196 LEU 42 HD23 -0.0020 0.0139 0.0099 197 HIS 43 N 0.0051 -0.0022 0.0075 198 HIS 43 CA 0.0061 -0.0051 0.0040 199 HIS 43 C 0.0016 -0.0045 -0.0004 200 HIS 43 O -0.0016 -0.0017 0.0001 201 HIS 43 CB 0.0078 -0.0048 0.0066 202 HIS 43 CG 0.0120 -0.0050 0.0115 203 HIS 43 ND1 0.0167 -0.0086 0.0116 204 HIS 43 CD2 0.0122 -0.0020 0.0165 205 HIS 43 CE1 0.0196 -0.0078 0.0163 206 HIS 43 NE2 0.0169 -0.0038 0.0194 207 HIS 43 H 0.0024 0.0007 0.0088 208 HIS 43 HA 0.0088 -0.0081 0.0026 209 HIS 43 HB2 0.0049 -0.0021 0.0073 210 HIS 43 HB3 0.0089 -0.0074 0.0039 211 HIS 43 HD1 0.0177 -0.0113 0.0085 212 HIS 43 HD2 0.0092 0.0012 0.0179 213 HIS 43 HE1 0.0234 -0.0100 0.0175 214 HIS 43 HE2 0.0182 -0.0025 0.0231 215 ARG 44 N 0.0001 0.0005 -0.0031 216 ARG 44 CA -0.0021 -0.0016 -0.0025 217 ARG 44 C -0.0026 -0.0041 -0.0025 218 ARG 44 O -0.0022 -0.0038 -0.0026 219 ARG 44 CB -0.0050 -0.0000 -0.0015 220 ARG 44 CG -0.0050 0.0031 -0.0013 221 ARG 44 CD -0.0079 0.0045 -0.0003 222 ARG 44 NE -0.0081 0.0076 -0.0001 223 ARG 44 CZ -0.0105 0.0091 0.0008 224 ARG 44 NH1 -0.0130 0.0079 0.0015 225 ARG 44 NH2 -0.0105 0.0119 0.0010 226 ARG 44 H -0.0000 0.0013 -0.0030 227 ARG 44 HA -0.0016 -0.0023 -0.0027 228 ARG 44 HB2 -0.0058 0.0000 -0.0013 229 ARG 44 HB3 -0.0064 -0.0014 -0.0012 230 ARG 44 HG2 -0.0044 0.0030 -0.0015 231 ARG 44 HG3 -0.0034 0.0044 -0.0017 232 ARG 44 HD2 -0.0085 0.0044 -0.0001 233 ARG 44 HD3 -0.0095 0.0031 0.0001 234 ARG 44 HE -0.0062 0.0086 -0.0006 235 ARG 44 HH11 -0.0132 0.0057 0.0014 236 ARG 44 HH12 -0.0149 0.0090 0.0021 237 ARG 44 HH21 -0.0087 0.0130 0.0005 238 ARG 44 HH22 -0.0123 0.0131 0.0016 239 CYS 45 N 0.0024 0.0059 -0.0022 240 CYS 45 CA 0.0031 0.0067 -0.0030 241 CYS 45 C 0.0036 0.0065 -0.0022 242 CYS 45 O 0.0027 0.0059 -0.0019 243 CYS 45 CB 0.0021 0.0070 -0.0044 244 CYS 45 SG 0.0028 0.0079 -0.0055 245 CYS 45 H 0.0015 0.0054 -0.0020 246 CYS 45 HA 0.0040 0.0072 -0.0032 247 CYS 45 HB2 0.0019 0.0072 -0.0050 248 CYS 45 HB3 0.0011 0.0064 -0.0042 249 LEU 46 N 0.0005 0.0129 0.0051 250 LEU 46 CA 0.0076 0.0117 0.0001 251 LEU 46 C 0.0145 0.0188 0.0025 252 LEU 46 O 0.0220 0.0193 -0.0012 253 LEU 46 CB 0.0047 0.0074 -0.0019 254 LEU 46 CG -0.0017 -0.0000 -0.0048 255 LEU 46 CD1 -0.0047 -0.0035 -0.0062 256 LEU 46 CD2 0.0017 -0.0049 -0.0109 257 LEU 46 H -0.0048 0.0117 0.0071 258 LEU 46 HA 0.0102 0.0085 -0.0040 259 LEU 46 HB2 0.0021 0.0106 0.0022 260 LEU 46 HB3 0.0101 0.0067 -0.0055 261 LEU 46 HG -0.0069 0.0009 -0.0012 262 LEU 46 HD11 -0.0077 -0.0002 -0.0017 263 LEU 46 HD12 -0.0091 -0.0088 -0.0084 264 LEU 46 HD13 0.0006 -0.0039 -0.0094 265 LEU 46 HD21 0.0032 -0.0026 -0.0098 266 LEU 46 HD22 0.0073 -0.0054 -0.0145 267 LEU 46 HD23 -0.0029 -0.0102 -0.0129 268 ALA 47 N 0.0063 0.0163 0.0069 269 ALA 47 CA 0.0060 0.0155 0.0069 270 ALA 47 C 0.0059 0.0151 0.0068 271 ALA 47 O 0.0055 0.0145 0.0070 272 ALA 47 CB 0.0063 0.0151 0.0066 273 ALA 47 H 0.0068 0.0165 0.0066 274 ALA 47 HA 0.0055 0.0156 0.0073 275 ALA 47 HB1 0.0060 0.0146 0.0066 276 ALA 47 HB2 0.0068 0.0150 0.0062 277 ALA 47 HB3 0.0063 0.0154 0.0066 278 CYS 48 N 0.0057 0.0113 0.0018 279 CYS 48 CA 0.0033 0.0086 0.0015 280 CYS 48 C 0.0029 0.0061 0.0040 281 CYS 48 O 0.0011 0.0037 0.0043 282 CYS 48 CB 0.0011 0.0086 -0.0017 283 CYS 48 SG 0.0012 0.0112 -0.0045 284 CYS 48 H 0.0062 0.0119 0.0017 285 CYS 48 HA 0.0034 0.0085 0.0017 286 CYS 48 HB2 0.0009 0.0092 -0.0025 287 CYS 48 HB3 -0.0007 0.0067 -0.0018 288 ALA 49 N 0.0008 0.0074 0.0024 289 ALA 49 CA 0.0004 0.0044 0.0063 290 ALA 49 C -0.0026 0.0004 0.0027 291 ALA 49 O -0.0039 -0.0038 0.0053 292 ALA 49 CB 0.0003 0.0011 0.0120 293 ALA 49 H 0.0026 0.0116 0.0019 294 ALA 49 HA 0.0023 0.0076 0.0077 295 ALA 49 HB1 -0.0016 -0.0021 0.0106 296 ALA 49 HB2 0.0024 0.0040 0.0144 297 ALA 49 HB3 0.0002 -0.0009 0.0149 298 ARG 50 N -0.0015 0.0037 0.0006 299 ARG 50 CA -0.0010 0.0013 -0.0035 300 ARG 50 C -0.0039 0.0031 -0.0076 301 ARG 50 O -0.0067 0.0066 -0.0072 302 ARG 50 CB -0.0004 0.0008 -0.0028 303 ARG 50 CG 0.0027 -0.0013 0.0011 304 ARG 50 CD 0.0031 -0.0017 0.0015 305 ARG 50 NE 0.0060 -0.0036 0.0053 306 ARG 50 CZ 0.0069 -0.0040 0.0066 307 ARG 50 NH1 0.0051 -0.0029 0.0044 308 ARG 50 NH2 0.0095 -0.0057 0.0102 309 ARG 50 H -0.0030 0.0061 0.0021 310 ARG 50 HA 0.0010 -0.0014 -0.0041 311 ARG 50 HB2 -0.0024 0.0036 -0.0021 312 ARG 50 HB3 -0.0002 -0.0008 -0.0061 313 ARG 50 HG2 0.0047 -0.0041 0.0003 314 ARG 50 HG3 0.0025 0.0003 0.0043 315 ARG 50 HD2 0.0011 0.0011 0.0021 316 ARG 50 HD3 0.0033 -0.0034 -0.0018 317 ARG 50 HE 0.0073 -0.0045 0.0069 318 ARG 50 HH11 0.0032 -0.0016 0.0016 319 ARG 50 HH12 0.0057 -0.0032 0.0052 320 ARG 50 HH21 0.0109 -0.0067 0.0120 321 ARG 50 HH22 0.0101 -0.0060 0.0113 322 TYR 51 N -0.0069 -0.0058 0.0018 323 TYR 51 CA -0.0067 -0.0048 0.0007 324 TYR 51 C -0.0051 -0.0052 0.0004 325 TYR 51 O -0.0038 -0.0058 0.0004 326 TYR 51 CB -0.0066 -0.0037 -0.0004 327 TYR 51 CG -0.0081 -0.0032 -0.0001 328 TYR 51 CD1 -0.0081 -0.0038 0.0005 329 TYR 51 CD2 -0.0095 -0.0022 -0.0005 330 TYR 51 CE1 -0.0094 -0.0034 0.0007 331 TYR 51 CE2 -0.0108 -0.0018 -0.0002 332 TYR 51 CZ -0.0108 -0.0024 0.0004 333 TYR 51 OH -0.0122 -0.0020 0.0006 334 TYR 51 H -0.0061 -0.0061 0.0017 335 TYR 51 HA -0.0078 -0.0044 0.0008 336 TYR 51 HB2 -0.0055 -0.0040 -0.0005 337 TYR 51 HB3 -0.0065 -0.0028 -0.0012 338 TYR 51 HD1 -0.0070 -0.0047 0.0008 339 TYR 51 HD2 -0.0095 -0.0017 -0.0009 340 TYR 51 HE1 -0.0094 -0.0039 0.0012 341 TYR 51 HE2 -0.0119 -0.0010 -0.0005 342 TYR 51 HH -0.0117 -0.0020 0.0004 343 PHE 52 N 0.0013 -0.0033 0.0048 344 PHE 52 CA -0.0004 -0.0026 0.0065 345 PHE 52 C -0.0010 -0.0045 0.0090 346 PHE 52 O 0.0003 -0.0068 0.0093 347 PHE 52 CB -0.0000 -0.0024 0.0058 348 PHE 52 CG 0.0006 -0.0005 0.0033 349 PHE 52 CD1 0.0026 -0.0011 0.0012 350 PHE 52 CD2 -0.0009 0.0020 0.0031 351 PHE 52 CE1 0.0031 0.0007 -0.0011 352 PHE 52 CE2 -0.0003 0.0037 0.0008 353 PHE 52 CZ 0.0017 0.0031 -0.0013 354 PHE 52 H 0.0026 -0.0049 0.0044 355 PHE 52 HA -0.0017 -0.0007 0.0065 356 PHE 52 HB2 0.0012 -0.0043 0.0058 357 PHE 52 HB3 -0.0014 -0.0019 0.0071 358 PHE 52 HD1 0.0037 -0.0030 0.0013 359 PHE 52 HD2 -0.0024 0.0025 0.0047 360 PHE 52 HE1 0.0047 0.0001 -0.0028 361 PHE 52 HE2 -0.0014 0.0056 0.0006 362 PHE 52 HZ 0.0021 0.0045 -0.0031 363 ILE 53 N -0.0037 -0.0143 0.0157 364 ILE 53 CA 0.0012 -0.0086 0.0156 365 ILE 53 C 0.0081 -0.0036 0.0134 366 ILE 53 O 0.0111 0.0032 0.0154 367 ILE 53 CB 0.0034 -0.0123 0.0115 368 ILE 53 CG1 0.0068 -0.0184 0.0049 369 ILE 53 CG2 -0.0032 -0.0158 0.0144 370 ILE 53 CD1 0.0093 -0.0223 0.0005 371 ILE 53 H -0.0048 -0.0198 0.0130 372 ILE 53 HA -0.0017 -0.0048 0.0202 373 ILE 53 HB 0.0073 -0.0078 0.0113 374 ILE 53 HG12 0.0030 -0.0230 0.0050 375 ILE 53 HG13 0.0115 -0.0157 0.0030 376 ILE 53 HG21 -0.0074 -0.0201 0.0149 377 ILE 53 HG22 -0.0052 -0.0113 0.0188 378 ILE 53 HG23 -0.0016 -0.0185 0.0114 379 ILE 53 HD11 0.0135 -0.0179 0.0000 380 ILE 53 HD12 0.0116 -0.0265 -0.0040 381 ILE 53 HD13 0.0048 -0.0251 0.0022 382 ASP 54 N 0.0054 -0.0069 0.0124 383 ASP 54 CA 0.0099 -0.0030 0.0101 384 ASP 54 C 0.0118 -0.0016 0.0083 385 ASP 54 O 0.0095 -0.0043 0.0071 386 ASP 54 CB 0.0106 -0.0038 0.0048 387 ASP 54 CG 0.0152 0.0001 0.0023 388 ASP 54 OD1 0.0172 0.0026 0.0046 389 ASP 54 OD2 0.0169 0.0007 -0.0020 390 ASP 54 H 0.0038 -0.0089 0.0110 391 ASP 54 HA 0.0115 -0.0006 0.0134 392 ASP 54 HB2 0.0090 -0.0050 0.0062 393 ASP 54 HB3 0.0090 -0.0062 0.0015 394 SER 55 N 0.0097 0.0017 0.0062 395 SER 55 CA 0.0112 0.0041 0.0059 396 SER 55 C 0.0105 0.0039 0.0023 397 SER 55 O 0.0109 0.0044 0.0023 398 SER 55 CB 0.0133 0.0076 0.0061 399 SER 55 OG 0.0148 0.0102 0.0058 400 SER 55 H 0.0102 0.0025 0.0061 401 SER 55 HA 0.0112 0.0037 0.0084 402 SER 55 HB2 0.0137 0.0077 0.0089 403 SER 55 HB3 0.0133 0.0081 0.0040 404 SER 55 HG 0.0148 0.0109 0.0031 405 THR 56 N 0.0080 0.0154 -0.0011 406 THR 56 CA 0.0091 0.0124 -0.0038 407 THR 56 C 0.0107 0.0038 0.0014 408 THR 56 O 0.0106 0.0027 0.0044 409 THR 56 CB 0.0108 0.0108 -0.0139 410 THR 56 OG1 0.0094 0.0186 -0.0187 411 THR 56 CG2 0.0117 0.0089 -0.0172 412 THR 56 H 0.0085 0.0155 -0.0056 413 THR 56 HA 0.0076 0.0174 -0.0023 414 THR 56 HB 0.0124 0.0053 -0.0150 415 THR 56 HG1 0.0095 0.0180 -0.0184 416 THR 56 HG21 0.0129 0.0078 -0.0244 417 THR 56 HG22 0.0101 0.0144 -0.0159 418 THR 56 HG23 0.0128 0.0031 -0.0137 419 ASN 57 N 0.0077 0.0039 -0.0012 420 ASN 57 CA 0.0085 -0.0003 0.0014 421 ASN 57 C 0.0098 0.0014 0.0070 422 ASN 57 O 0.0103 0.0002 0.0088 423 ASN 57 CB 0.0088 -0.0056 0.0015 424 ASN 57 CG 0.0077 -0.0090 -0.0036 425 ASN 57 OD1 0.0078 -0.0125 -0.0041 426 ASN 57 ND2 0.0068 -0.0081 -0.0073 427 ASN 57 H 0.0076 0.0032 -0.0018 428 ASN 57 HA 0.0080 -0.0010 -0.0009 429 ASN 57 HB2 0.0089 -0.0045 0.0021 430 ASN 57 HB3 0.0097 -0.0080 0.0049 431 ASN 57 HD21 0.0068 -0.0054 -0.0069 432 ASN 57 HD22 0.0061 -0.0103 -0.0106 433 LEU 58 N 0.0062 0.0036 0.0048 434 LEU 58 CA 0.0064 0.0030 0.0025 435 LEU 58 C 0.0070 0.0017 0.0017 436 LEU 58 O 0.0067 0.0021 -0.0001 437 LEU 58 CB 0.0069 0.0018 0.0023 438 LEU 58 CG 0.0074 0.0006 0.0000 439 LEU 58 CD1 0.0083 -0.0015 -0.0001 440 LEU 58 CD2 0.0068 0.0020 -0.0020 441 LEU 58 H 0.0064 0.0031 0.0060 442 LEU 58 HA 0.0058 0.0043 0.0015 443 LEU 58 HB2 0.0064 0.0029 0.0026 444 LEU 58 HB3 0.0074 0.0007 0.0036 445 LEU 58 HG 0.0076 0.0003 -0.0001 446 LEU 58 HD11 0.0086 -0.0022 -0.0016 447 LEU 58 HD12 0.0082 -0.0012 0.0001 448 LEU 58 HD13 0.0087 -0.0024 0.0013 449 LEU 58 HD21 0.0066 0.0023 -0.0020 450 LEU 58 HD22 0.0071 0.0011 -0.0035 451 LEU 58 HD23 0.0061 0.0034 -0.0019 452 LYS 59 N 0.0042 0.0033 0.0046 453 LYS 59 CA 0.0025 0.0033 0.0072 454 LYS 59 C 0.0040 0.0043 0.0100 455 LYS 59 O 0.0037 0.0046 0.0121 456 LYS 59 CB -0.0005 0.0024 0.0073 457 LYS 59 CG -0.0004 0.0024 0.0073 458 LYS 59 CD -0.0034 0.0015 0.0071 459 LYS 59 CE -0.0054 0.0014 0.0098 460 LYS 59 NZ -0.0044 0.0022 0.0125 461 LYS 59 H 0.0037 0.0029 0.0031 462 LYS 59 HA 0.0022 0.0032 0.0072 463 LYS 59 HB2 -0.0017 0.0024 0.0091 464 LYS 59 HB3 -0.0015 0.0018 0.0053 465 LYS 59 HG2 0.0009 0.0025 0.0055 466 LYS 59 HG3 0.0004 0.0031 0.0093 467 LYS 59 HD2 -0.0043 0.0009 0.0052 468 LYS 59 HD3 -0.0033 0.0015 0.0069 469 LYS 59 HE2 -0.0055 0.0015 0.0100 470 LYS 59 HE3 -0.0075 0.0007 0.0094 471 LYS 59 HZ1 -0.0045 0.0022 0.0123 472 LYS 59 HZ2 -0.0058 0.0021 0.0142 473 LYS 59 HZ3 -0.0024 0.0029 0.0130 474 THR 60 N 0.0031 0.0021 0.0115 475 THR 60 CA 0.0042 0.0092 0.0166 476 THR 60 C 0.0046 0.0157 0.0075 477 THR 60 O 0.0050 0.0184 0.0085 478 THR 60 CB 0.0055 0.0170 0.0250 479 THR 60 OG1 0.0051 0.0107 0.0335 480 THR 60 CG2 0.0067 0.0246 0.0303 481 THR 60 H 0.0033 0.0033 0.0131 482 THR 60 HA 0.0037 0.0040 0.0207 483 THR 60 HB 0.0059 0.0217 0.0203 484 THR 60 HG1 0.0046 0.0074 0.0304 485 THR 60 HG21 0.0076 0.0300 0.0360 486 THR 60 HG22 0.0063 0.0197 0.0346 487 THR 60 HG23 0.0070 0.0294 0.0240 488 HIS 61 N 0.0048 0.0114 0.0021 489 HIS 61 CA 0.0045 0.0137 -0.0021 490 HIS 61 C 0.0053 0.0115 -0.0055 491 HIS 61 O 0.0050 0.0136 -0.0084 492 HIS 61 CB 0.0045 0.0145 -0.0038 493 HIS 61 CG 0.0046 0.0154 -0.0086 494 HIS 61 ND1 0.0038 0.0191 -0.0106 495 HIS 61 CD2 0.0054 0.0128 -0.0119 496 HIS 61 CE1 0.0042 0.0188 -0.0148 497 HIS 61 NE2 0.0051 0.0150 -0.0157 498 HIS 61 H 0.0051 0.0102 0.0031 499 HIS 61 HA 0.0037 0.0167 -0.0014 500 HIS 61 HB2 0.0037 0.0171 -0.0021 501 HIS 61 HB3 0.0051 0.0117 -0.0030 502 HIS 61 HD1 0.0030 0.0217 -0.0091 503 HIS 61 HD2 0.0062 0.0096 -0.0116 504 HIS 61 HE1 0.0038 0.0208 -0.0176 505 PHE 62 N 0.0029 0.0012 -0.0044 506 PHE 62 CA 0.0030 -0.0007 -0.0065 507 PHE 62 C 0.0032 -0.0012 -0.0055 508 PHE 62 O 0.0034 -0.0028 -0.0069 509 PHE 62 CB 0.0035 -0.0036 -0.0072 510 PHE 62 CG 0.0034 -0.0034 -0.0078 511 PHE 62 CD1 0.0028 -0.0017 -0.0101 512 PHE 62 CD2 0.0039 -0.0050 -0.0062 513 PHE 62 CE1 0.0027 -0.0016 -0.0107 514 PHE 62 CE2 0.0038 -0.0048 -0.0068 515 PHE 62 CZ 0.0032 -0.0031 -0.0090 516 PHE 62 H 0.0033 0.0003 -0.0028 517 PHE 62 HA 0.0025 0.0005 -0.0086 518 PHE 62 HB2 0.0040 -0.0051 -0.0054 519 PHE 62 HB3 0.0034 -0.0044 -0.0092 520 PHE 62 HD1 0.0024 -0.0005 -0.0114 521 PHE 62 HD2 0.0044 -0.0063 -0.0044 522 PHE 62 HE1 0.0022 -0.0002 -0.0125 523 PHE 62 HE2 0.0042 -0.0061 -0.0054 524 PHE 62 HZ 0.0031 -0.0031 -0.0093 525 ARG 63 N -0.0009 0.0055 0.0053 526 ARG 63 CA -0.0016 0.0064 -0.0066 527 ARG 63 C -0.0096 0.0075 -0.0170 528 ARG 63 O -0.0118 0.0083 -0.0275 529 ARG 63 CB -0.0063 0.0064 -0.0041 530 ARG 63 CG 0.0031 0.0054 0.0040 531 ARG 63 CD -0.0020 0.0055 0.0065 532 ARG 63 NE -0.0047 0.0065 -0.0056 533 ARG 63 CZ -0.0072 0.0066 -0.0064 534 ARG 63 NH1 -0.0068 0.0059 0.0041 535 ARG 63 NH2 -0.0100 0.0075 -0.0177 536 ARG 63 H -0.0060 0.0052 0.0129 537 ARG 63 HA 0.0082 0.0062 -0.0102 538 ARG 63 HB2 -0.0155 0.0065 0.0009 539 ARG 63 HB3 -0.0076 0.0071 -0.0132 540 ARG 63 HG2 0.0121 0.0054 -0.0012 541 ARG 63 HG3 0.0046 0.0047 0.0131 542 ARG 63 HD2 0.0051 0.0048 0.0119 543 ARG 63 HD3 -0.0109 0.0055 0.0120 544 ARG 63 HE -0.0047 0.0070 -0.0135 545 ARG 63 HH11 -0.0046 0.0051 0.0129 546 ARG 63 HH12 -0.0087 0.0060 0.0038 547 ARG 63 HH21 -0.0101 0.0081 -0.0258 548 ARG 63 HH22 -0.0120 0.0077 -0.0189 549 SER 64 N 0.0050 0.0003 0.0046 550 SER 64 CA 0.0054 0.0026 0.0025 551 SER 64 C -0.0009 -0.0063 -0.0006 552 SER 64 O -0.0056 -0.0084 -0.0090 553 SER 64 CB 0.0064 0.0110 -0.0065 554 SER 64 OG 0.0113 0.0187 -0.0052 555 SER 64 H 0.0038 0.0022 -0.0008 556 SER 64 HA 0.0091 0.0044 0.0091 557 SER 64 HB2 0.0022 0.0086 -0.0134 558 SER 64 HB3 0.0075 0.0135 -0.0073 559 SER 64 HG 0.0152 0.0219 -0.0000 560 LYS 65 N -0.0011 0.0075 0.0348 561 LYS 65 CA -0.0047 -0.0216 0.0172 562 LYS 65 C -0.0210 -0.0176 -0.0143 563 LYS 65 O -0.0259 -0.0370 -0.0311 564 LYS 65 CB 0.0037 -0.0428 0.0270 565 LYS 65 CG 0.0031 -0.0280 0.0310 566 LYS 65 CD -0.0119 -0.0181 0.0038 567 LYS 65 CE -0.0118 -0.0038 0.0091 568 LYS 65 NZ -0.0265 0.0077 -0.0167 569 LYS 65 H 0.0048 0.0135 0.0486 570 LYS 65 HA -0.0011 -0.0334 0.0206 571 LYS 65 HB2 -0.0006 -0.0621 0.0116 572 LYS 65 HB3 0.0149 -0.0517 0.0466 573 LYS 65 HG2 0.0102 -0.0446 0.0394 574 LYS 65 HG3 0.0071 -0.0081 0.0459 575 LYS 65 HD2 -0.0192 -0.0016 -0.0051 576 LYS 65 HD3 -0.0156 -0.0383 -0.0107 577 LYS 65 HE2 -0.0052 -0.0211 0.0165 578 LYS 65 HE3 -0.0072 0.0151 0.0249 579 LYS 65 HZ1 -0.0313 -0.0099 -0.0326 580 LYS 65 HZ2 -0.0332 0.0250 -0.0242 581 LYS 65 HZ3 -0.0260 0.0168 -0.0125 582 ASP 66 N -0.0148 -0.0160 -0.0301 583 ASP 66 CA -0.0091 -0.0156 -0.0287 584 ASP 66 C -0.0077 -0.0192 -0.0328 585 ASP 66 O -0.0050 -0.0188 -0.0319 586 ASP 66 CB -0.0035 -0.0152 -0.0274 587 ASP 66 CG 0.0022 -0.0140 -0.0250 588 ASP 66 OD1 0.0028 -0.0102 -0.0204 589 ASP 66 OD2 0.0063 -0.0166 -0.0276 590 ASP 66 H -0.0144 -0.0167 -0.0308 591 ASP 66 HA -0.0101 -0.0128 -0.0254 592 ASP 66 HB2 -0.0050 -0.0130 -0.0250 593 ASP 66 HB3 -0.0022 -0.0182 -0.0307 594 HIS 67 N 0.0006 -0.0082 -0.0199 595 HIS 67 CA -0.0003 -0.0060 -0.0189 596 HIS 67 C 0.0001 -0.0061 -0.0189 597 HIS 67 O -0.0017 -0.0057 -0.0189 598 HIS 67 CB 0.0012 -0.0039 -0.0176 599 HIS 67 CG 0.0004 -0.0015 -0.0165 600 HIS 67 ND1 -0.0022 -0.0009 -0.0165 601 HIS 67 CD2 0.0016 0.0005 -0.0154 602 HIS 67 CE1 -0.0025 0.0014 -0.0154 603 HIS 67 NE2 -0.0003 0.0023 -0.0147 604 HIS 67 H 0.0020 -0.0083 -0.0197 605 HIS 67 HA -0.0024 -0.0056 -0.0189 606 HIS 67 HB2 0.0009 -0.0036 -0.0175 607 HIS 67 HB3 0.0033 -0.0041 -0.0175 608 HIS 67 HD1 -0.0037 -0.0019 -0.0172 609 HIS 67 HD2 0.0038 0.0004 -0.0152 610 HIS 67 HE1 -0.0043 0.0025 -0.0151 611 LYS 68 N -0.0023 -0.0093 -0.0089 612 LYS 68 CA -0.0024 -0.0110 -0.0092 613 LYS 68 C -0.0009 -0.0095 -0.0097 614 LYS 68 O 0.0002 -0.0107 -0.0106 615 LYS 68 CB -0.0050 -0.0116 -0.0078 616 LYS 68 CG -0.0066 -0.0129 -0.0072 617 LYS 68 CD -0.0092 -0.0135 -0.0058 618 LYS 68 CE -0.0103 -0.0108 -0.0046 619 LYS 68 NZ -0.0129 -0.0113 -0.0032 620 LYS 68 H -0.0037 -0.0084 -0.0078 621 LYS 68 HA -0.0016 -0.0128 -0.0101 622 LYS 68 HB2 -0.0057 -0.0097 -0.0070 623 LYS 68 HB3 -0.0052 -0.0131 -0.0081 624 LYS 68 HG2 -0.0059 -0.0147 -0.0080 625 LYS 68 HG3 -0.0065 -0.0115 -0.0069 626 LYS 68 HD2 -0.0094 -0.0148 -0.0060 627 LYS 68 HD3 -0.0103 -0.0145 -0.0054 628 LYS 68 HE2 -0.0101 -0.0095 -0.0044 629 LYS 68 HE3 -0.0093 -0.0099 -0.0049 630 LYS 68 HZ1 -0.0132 -0.0126 -0.0033 631 LYS 68 HZ2 -0.0136 -0.0095 -0.0023 632 LYS 68 HZ3 -0.0138 -0.0122 -0.0028 633 LYS 69 N -0.0113 -0.0198 -0.0287 634 LYS 69 CA -0.0075 -0.0147 -0.0191 635 LYS 69 C 0.0015 -0.0175 -0.0216 636 LYS 69 O 0.0004 -0.0153 -0.0181 637 LYS 69 CB -0.0015 -0.0112 -0.0116 638 LYS 69 CG 0.0064 -0.0068 -0.0023 639 LYS 69 CD 0.0125 -0.0045 0.0032 640 LYS 69 CE 0.0214 -0.0003 0.0124 641 LYS 69 NZ 0.0272 0.0013 0.0166 642 LYS 69 H -0.0099 -0.0200 -0.0287 643 LYS 69 HA -0.0154 -0.0116 -0.0156 644 LYS 69 HB2 -0.0085 -0.0083 -0.0084 645 LYS 69 HB3 0.0041 -0.0147 -0.0162 646 LYS 69 HG2 0.0129 -0.0097 -0.0057 647 LYS 69 HG3 0.0009 -0.0029 0.0031 648 LYS 69 HD2 0.0053 -0.0017 0.0061 649 LYS 69 HD3 0.0171 -0.0086 -0.0027 650 LYS 69 HE2 0.0284 -0.0029 0.0097 651 LYS 69 HE3 0.0167 0.0040 0.0186 652 LYS 69 HZ1 0.0337 0.0041 0.0229 653 LYS 69 HZ2 0.0315 -0.0029 0.0105 654 LYS 69 HZ3 0.0205 0.0037 0.0190 655 ARG 70 N 0.0042 -0.0060 -0.0118 656 ARG 70 CA 0.0045 -0.0054 -0.0143 657 ARG 70 C 0.0060 -0.0086 -0.0143 658 ARG 70 O 0.0070 -0.0093 -0.0171 659 ARG 70 CB 0.0030 -0.0024 -0.0134 660 ARG 70 CG 0.0032 -0.0014 -0.0162 661 ARG 70 CD 0.0037 -0.0005 -0.0199 662 ARG 70 NE 0.0040 0.0004 -0.0227 663 ARG 70 CZ 0.0051 -0.0001 -0.0262 664 ARG 70 NH1 0.0060 -0.0014 -0.0273 665 ARG 70 NH2 0.0052 0.0008 -0.0285 666 ARG 70 H 0.0031 -0.0048 -0.0096 667 ARG 70 HA 0.0049 -0.0048 -0.0170 668 ARG 70 HB2 0.0019 -0.0003 -0.0130 669 ARG 70 HB3 0.0027 -0.0032 -0.0109 670 ARG 70 HG2 0.0020 0.0007 -0.0154 671 ARG 70 HG3 0.0042 -0.0035 -0.0164 672 ARG 70 HD2 0.0048 -0.0026 -0.0207 673 ARG 70 HD3 0.0027 0.0017 -0.0198 674 ARG 70 HE 0.0033 0.0014 -0.0219 675 ARG 70 HH11 0.0059 -0.0021 -0.0257 676 ARG 70 HH12 0.0068 -0.0018 -0.0299 677 ARG 70 HH21 0.0046 0.0018 -0.0277 678 ARG 70 HH22 0.0060 0.0005 -0.0311 679 LEU 71 N 0.0046 -0.0022 -0.0009 680 LEU 71 CA 0.0058 -0.0009 0.0006 681 LEU 71 C 0.0072 -0.0001 0.0003 682 LEU 71 O 0.0076 0.0007 0.0018 683 LEU 71 CB 0.0068 -0.0003 0.0004 684 LEU 71 CG 0.0056 -0.0010 0.0007 685 LEU 71 CD1 0.0067 -0.0003 0.0006 686 LEU 71 CD2 0.0042 -0.0013 0.0028 687 LEU 71 H 0.0047 -0.0025 -0.0020 688 LEU 71 HA 0.0050 -0.0010 0.0022 689 LEU 71 HB2 0.0076 -0.0002 -0.0011 690 LEU 71 HB3 0.0077 0.0007 0.0016 691 LEU 71 HG 0.0048 -0.0020 -0.0006 692 LEU 71 HD11 0.0075 0.0007 0.0019 693 LEU 71 HD12 0.0077 -0.0001 -0.0009 694 LEU 71 HD13 0.0059 -0.0008 0.0008 695 LEU 71 HD21 0.0033 -0.0019 0.0028 696 LEU 71 HD22 0.0050 -0.0004 0.0041 697 LEU 71 HD23 0.0034 -0.0018 0.0029 698 LYS 72 N -0.0047 -0.0084 0.0033 699 LYS 72 CA -0.0032 -0.0016 0.0050 700 LYS 72 C 0.0032 -0.0003 0.0095 701 LYS 72 O 0.0063 0.0023 0.0120 702 LYS 72 CB -0.0072 0.0043 0.0028 703 LYS 72 CG -0.0061 0.0116 0.0042 704 LYS 72 CD -0.0105 0.0170 0.0017 705 LYS 72 CE -0.0095 0.0243 0.0030 706 LYS 72 NZ -0.0139 0.0296 0.0005 707 LYS 72 H -0.0078 -0.0086 0.0012 708 LYS 72 HA -0.0037 -0.0016 0.0046 709 LYS 72 HB2 -0.0117 0.0032 -0.0004 710 LYS 72 HB3 -0.0067 0.0041 0.0031 711 LYS 72 HG2 -0.0018 0.0129 0.0073 712 LYS 72 HG3 -0.0064 0.0118 0.0040 713 LYS 72 HD2 -0.0148 0.0156 -0.0014 714 LYS 72 HD3 -0.0102 0.0169 0.0019 715 LYS 72 HE2 -0.0053 0.0257 0.0061 716 LYS 72 HE3 -0.0096 0.0243 0.0029 717 LYS 72 HZ1 -0.0138 0.0297 0.0005 718 LYS 72 HZ2 -0.0181 0.0284 -0.0025 719 LYS 72 HZ3 -0.0131 0.0346 0.0015 720 GLN 73 N 0.0088 0.0006 -0.0066 721 GLN 73 CA 0.0068 -0.0000 -0.0066 722 GLN 73 C 0.0057 0.0013 -0.0046 723 GLN 73 O 0.0051 0.0014 -0.0042 724 GLN 73 CB 0.0049 -0.0014 -0.0075 725 GLN 73 CG 0.0058 -0.0029 -0.0095 726 GLN 73 CD 0.0039 -0.0042 -0.0103 727 GLN 73 OE1 0.0024 -0.0038 -0.0093 728 GLN 73 NE2 0.0039 -0.0057 -0.0121 729 GLN 73 H 0.0087 0.0003 -0.0070 730 GLN 73 HA 0.0074 -0.0005 -0.0075 731 GLN 73 HB2 0.0044 -0.0009 -0.0066 732 GLN 73 HB3 0.0034 -0.0019 -0.0074 733 GLN 73 HG2 0.0062 -0.0034 -0.0104 734 GLN 73 HG3 0.0073 -0.0025 -0.0097 735 GLN 73 HE21 0.0052 -0.0059 -0.0129 736 GLN 73 HE22 0.0028 -0.0066 -0.0127 737 LEU 74 N 0.0108 0.0033 -0.0030 738 LEU 74 CA 0.0099 0.0048 -0.0054 739 LEU 74 C 0.0089 0.0028 -0.0062 740 LEU 74 O 0.0078 0.0035 -0.0085 741 LEU 74 CB 0.0112 0.0081 -0.0049 742 LEU 74 CG 0.0105 0.0103 -0.0074 743 LEU 74 CD1 0.0092 0.0108 -0.0100 744 LEU 74 CD2 0.0120 0.0134 -0.0064 745 LEU 74 H 0.0120 0.0040 -0.0011 746 LEU 74 HA 0.0090 0.0051 -0.0073 747 LEU 74 HB2 0.0120 0.0093 -0.0042 748 LEU 74 HB3 0.0121 0.0076 -0.0031 749 LEU 74 HG 0.0098 0.0092 -0.0080 750 LEU 74 HD11 0.0087 0.0124 -0.0117 751 LEU 74 HD12 0.0098 0.0118 -0.0095 752 LEU 74 HD13 0.0081 0.0086 -0.0108 753 LEU 74 HD21 0.0127 0.0146 -0.0058 754 LEU 74 HD22 0.0115 0.0149 -0.0082 755 LEU 74 HD23 0.0129 0.0130 -0.0046 756 SER 75 N 0.0101 0.0093 0.0086 757 SER 75 CA 0.0020 0.0107 0.0053 758 SER 75 C 0.0033 0.0137 -0.0032 759 SER 75 O -0.0027 0.0156 -0.0078 760 SER 75 CB -0.0050 0.0107 0.0058 761 SER 75 OG -0.0130 0.0119 0.0031 762 SER 75 H 0.0129 0.0078 0.0125 763 SER 75 HA 0.0001 0.0094 0.0090 764 SER 75 HB2 -0.0057 0.0085 0.0119 765 SER 75 HB3 -0.0031 0.0120 0.0021 766 SER 75 HG -0.0172 0.0107 0.0069 767 VAL 76 N 0.0058 0.0080 0.0061 768 VAL 76 CA 0.0068 0.0097 0.0055 769 VAL 76 C 0.0072 0.0092 0.0060 770 VAL 76 O 0.0064 0.0100 0.0052 771 VAL 76 CB 0.0089 0.0106 0.0059 772 VAL 76 CG1 0.0099 0.0124 0.0053 773 VAL 76 CG2 0.0086 0.0111 0.0055 774 VAL 76 H 0.0065 0.0074 0.0068 775 VAL 76 HA 0.0058 0.0107 0.0045 776 VAL 76 HB 0.0098 0.0096 0.0070 777 VAL 76 HG11 0.0114 0.0130 0.0056 778 VAL 76 HG12 0.0090 0.0134 0.0043 779 VAL 76 HG13 0.0102 0.0120 0.0057 780 VAL 76 HG21 0.0101 0.0117 0.0058 781 VAL 76 HG22 0.0079 0.0098 0.0060 782 VAL 76 HG23 0.0076 0.0121 0.0044 783 GLU 77 N 0.0131 0.0006 0.0186 784 GLU 77 CA 0.0131 0.0015 0.0178 785 GLU 77 C 0.0130 0.0016 0.0180 786 GLU 77 O 0.0134 0.0009 0.0175 787 GLU 77 CB 0.0135 0.0014 0.0166 788 GLU 77 CG 0.0140 0.0002 0.0162 789 GLU 77 CD 0.0144 0.0001 0.0149 790 GLU 77 OE1 0.0145 0.0001 0.0146 791 GLU 77 OE2 0.0146 0.0001 0.0142 792 GLU 77 H 0.0133 -0.0001 0.0188 793 GLU 77 HA 0.0127 0.0023 0.0181 794 GLU 77 HB2 0.0134 0.0020 0.0160 795 GLU 77 HB3 0.0134 0.0016 0.0165 796 GLU 77 HG2 0.0140 -0.0004 0.0167 797 GLU 77 HG3 0.0140 -0.0000 0.0163 798 PRO 78 N -0.0124 0.0079 0.0337 799 PRO 78 CA -0.0135 -0.0130 0.0462 800 PRO 78 C 0.0032 -0.0121 0.0462 801 PRO 78 O 0.0004 0.0025 0.0374 802 PRO 78 CB -0.0414 -0.0156 0.0469 803 PRO 78 CG -0.0551 0.0004 0.0369 804 PRO 78 CD -0.0368 0.0187 0.0265 805 PRO 78 HA -0.0078 -0.0260 0.0542 806 PRO 78 HB2 -0.0434 -0.0122 0.0448 807 PRO 78 HB3 -0.0479 -0.0320 0.0566 808 PRO 78 HG2 -0.0716 0.0059 0.0331 809 PRO 78 HG3 -0.0605 -0.0069 0.0411 810 PRO 78 HD2 -0.0375 0.0303 0.0195 811 PRO 78 HD3 -0.0404 0.0264 0.0217 812 TYR 79 N -0.0094 -0.0182 0.0603 813 TYR 79 CA 0.0091 -0.0167 0.0533 814 TYR 79 C 0.0099 -0.0086 0.0606 815 TYR 79 O 0.0153 0.0057 0.0715 816 TYR 79 CB 0.0265 -0.0091 0.0525 817 TYR 79 CG 0.0275 -0.0184 0.0434 818 TYR 79 CD1 0.0184 -0.0163 0.0496 819 TYR 79 CD2 0.0373 -0.0295 0.0286 820 TYR 79 CE1 0.0190 -0.0248 0.0413 821 TYR 79 CE2 0.0381 -0.0381 0.0202 822 TYR 79 CZ 0.0289 -0.0357 0.0266 823 TYR 79 OH 0.0295 -0.0445 0.0181 824 TYR 79 H -0.0183 -0.0286 0.0547 825 TYR 79 HA 0.0092 -0.0283 0.0424 826 TYR 79 HB2 0.0257 0.0021 0.0634 827 TYR 79 HB3 0.0395 -0.0080 0.0478 828 TYR 79 HD1 0.0106 -0.0077 0.0611 829 TYR 79 HD2 0.0446 -0.0313 0.0236 830 TYR 79 HE1 0.0118 -0.0229 0.0463 831 TYR 79 HE2 0.0459 -0.0466 0.0086 832 TYR 79 HH 0.0266 -0.0550 0.0096 833 SER 80 N 0.0097 -0.0122 0.0150 834 SER 80 CA 0.0097 -0.0142 0.0136 835 SER 80 C 0.0075 -0.0139 0.0124 836 SER 80 O 0.0058 -0.0121 0.0126 837 SER 80 CB 0.0118 -0.0151 0.0143 838 SER 80 OG 0.0120 -0.0172 0.0129 839 SER 80 H 0.0100 -0.0112 0.0160 840 SER 80 HA 0.0097 -0.0154 0.0128 841 SER 80 HB2 0.0133 -0.0152 0.0152 842 SER 80 HB3 0.0117 -0.0140 0.0150 843 SER 80 HG 0.0127 -0.0182 0.0126 844 GLN 81 N -0.0159 -0.0222 0.0063 845 GLN 81 CA -0.0177 -0.0222 0.0044 846 GLN 81 C -0.0190 -0.0208 0.0007 847 GLN 81 O -0.0196 -0.0208 -0.0000 848 GLN 81 CB -0.0208 -0.0247 0.0058 849 GLN 81 CG -0.0225 -0.0247 0.0042 850 GLN 81 CD -0.0257 -0.0271 0.0053 851 GLN 81 OE1 -0.0275 -0.0285 0.0061 852 GLN 81 NE2 -0.0263 -0.0275 0.0054 853 GLN 81 H -0.0168 -0.0237 0.0079 854 GLN 81 HA -0.0161 -0.0214 0.0045 855 GLN 81 HB2 -0.0199 -0.0257 0.0085 856 GLN 81 HB3 -0.0226 -0.0254 0.0053 857 GLN 81 HG2 -0.0232 -0.0236 0.0015 858 GLN 81 HG3 -0.0207 -0.0241 0.0049 859 GLN 81 HE21 -0.0247 -0.0262 0.0048 860 GLN 81 HE22 -0.0284 -0.0290 0.0061 861 GLU 82 N -0.0220 -0.0155 -0.0045 862 GLU 82 CA -0.0310 0.0038 -0.0149 863 GLU 82 C -0.0103 0.0059 -0.0324 864 GLU 82 O -0.0136 0.0203 -0.0428 865 GLU 82 CB -0.0473 0.0254 -0.0219 866 GLU 82 CG -0.0583 0.0461 -0.0321 867 GLU 82 CD -0.0746 0.0656 -0.0372 868 GLU 82 OE1 -0.0659 0.0755 -0.0527 869 GLU 82 OE2 -0.0966 0.0715 -0.0259 870 GLU 82 H -0.0233 -0.0291 0.0087 871 GLU 82 HA -0.0413 -0.0005 -0.0032 872 GLU 82 HB2 -0.0617 0.0225 -0.0084 873 GLU 82 HB3 -0.0370 0.0286 -0.0326 874 GLU 82 HG2 -0.0443 0.0500 -0.0462 875 GLU 82 HG3 -0.0684 0.0429 -0.0216 876 GLU 83 N -0.0105 -0.0184 -0.0217 877 GLU 83 CA -0.0082 -0.0104 -0.0182 878 GLU 83 C -0.0048 0.0005 -0.0170 879 GLU 83 O -0.0020 0.0080 -0.0229 880 GLU 83 CB -0.0099 -0.0137 -0.0075 881 GLU 83 CG -0.0076 -0.0058 -0.0030 882 GLU 83 CD -0.0096 -0.0101 0.0068 883 GLU 83 OE1 -0.0102 -0.0102 0.0160 884 GLU 83 OE2 -0.0106 -0.0135 0.0053 885 GLU 83 H -0.0110 -0.0192 -0.0175 886 GLU 83 HA -0.0076 -0.0098 -0.0248 887 GLU 83 HB2 -0.0122 -0.0212 -0.0090 888 GLU 83 HB3 -0.0106 -0.0148 -0.0011 889 GLU 83 HG2 -0.0054 0.0015 -0.0005 890 GLU 83 HG3 -0.0067 -0.0041 -0.0096 891 ALA 84 N -0.0038 -0.0050 -0.0060 892 ALA 84 CA -0.0069 0.0051 -0.0086 893 ALA 84 C -0.0120 -0.0012 -0.0242 894 ALA 84 O -0.0137 0.0018 -0.0270 895 ALA 84 CB -0.0010 0.0045 0.0055 896 ALA 84 H 0.0003 -0.0160 -0.0013 897 ALA 84 HA -0.0099 0.0180 -0.0098 898 ALA 84 HB1 -0.0034 0.0118 0.0032 899 ALA 84 HB2 0.0022 -0.0085 0.0071 900 ALA 84 HB3 0.0021 0.0102 0.0160 901 GLU 85 N -0.0194 0.0097 -0.0207 902 GLU 85 CA 0.0030 0.0215 -0.0285 903 GLU 85 C 0.0206 -0.0003 -0.0293 904 GLU 85 O 0.0197 -0.0083 -0.0277 905 GLU 85 CB -0.0016 0.0416 -0.0307 906 GLU 85 CG 0.0196 0.0591 -0.0391 907 GLU 85 CD 0.0424 0.0472 -0.0430 908 GLU 85 OE1 0.0430 0.0469 -0.0431 909 GLU 85 OE2 0.0601 0.0380 -0.0459 910 GLU 85 H -0.0197 -0.0082 -0.0176 911 GLU 85 HA 0.0102 0.0301 -0.0318 912 GLU 85 HB2 -0.0182 0.0532 -0.0284 913 GLU 85 HB3 -0.0051 0.0318 -0.0281 914 GLU 85 HG2 0.0247 0.0622 -0.0409 915 GLU 85 HG3 0.0126 0.0765 -0.0402 916 ARG 86 N 0.0186 -0.0028 -0.0223 917 ARG 86 CA 0.0288 -0.0060 -0.0105 918 ARG 86 C 0.0366 -0.0055 -0.0061 919 ARG 86 O 0.0311 -0.0064 -0.0084 920 ARG 86 CB 0.0224 -0.0156 0.0001 921 ARG 86 CG 0.0080 -0.0225 0.0014 922 ARG 86 CD 0.0081 -0.0251 0.0055 923 ARG 86 NE -0.0060 -0.0311 0.0055 924 ARG 86 CZ -0.0098 -0.0331 0.0061 925 ARG 86 NH1 -0.0004 -0.0301 0.0076 926 ARG 86 NH2 -0.0230 -0.0383 0.0054 927 ARG 86 H 0.0112 -0.0054 -0.0230 928 ARG 86 HA 0.0365 -0.0014 -0.0126 929 ARG 86 HB2 0.0295 -0.0183 0.0091 930 ARG 86 HB3 0.0213 -0.0148 -0.0018 931 ARG 86 HG2 0.0044 -0.0287 0.0086 932 ARG 86 HG3 0.0008 -0.0198 -0.0076 933 ARG 86 HD2 0.0127 -0.0190 -0.0010 934 ARG 86 HD3 0.0144 -0.0285 0.0150 935 ARG 86 HE -0.0131 -0.0336 0.0046 936 ARG 86 HH11 0.0098 -0.0261 0.0083 937 ARG 86 HH12 -0.0030 -0.0316 0.0082 938 ARG 86 HH21 -0.0304 -0.0407 0.0043 939 ARG 86 HH22 -0.0264 -0.0400 0.0058 940 ALA 87 N -0.0103 0.0137 -0.0036 941 ALA 87 CA -0.0027 0.0149 0.0108 942 ALA 87 C -0.0046 0.0065 0.0366 943 ALA 87 O 0.0085 0.0108 0.0532 944 ALA 87 CB 0.0196 0.0307 0.0080 945 ALA 87 H -0.0013 0.0196 -0.0032 946 ALA 87 HA -0.0117 0.0104 0.0048 947 ALA 87 HB1 0.0285 0.0352 0.0135 948 ALA 87 HB2 0.0207 0.0365 -0.0104 949 ALA 87 HB3 0.0255 0.0316 0.0190 950 ALA 88 N -0.0476 -0.0031 0.1066 951 ALA 88 CA -0.0427 -0.0011 0.0863 952 ALA 88 C -0.0132 -0.0509 0.0926 953 ALA 88 O 0.0135 -0.0756 0.0557 954 ALA 88 CB -0.0401 0.0231 0.0277 955 ALA 88 H -0.0292 -0.0268 0.0954 956 ALA 88 HA -0.0631 0.0198 0.1105 957 ALA 88 HB1 -0.0196 0.0023 0.0029 958 ALA 88 HB2 -0.0615 0.0587 0.0244 959 ALA 88 HB3 -0.0372 0.0249 0.0143 960 GLY 89 N -0.0838 0.0670 -0.0952 961 GLY 89 CA -0.0076 0.0608 -0.0973 962 GLY 89 C 0.1542 0.0668 -0.0981 963 GLY 89 O 0.2135 -0.0238 -0.1166 964 GLY 89 H -0.0358 0.1019 -0.0889 965 GLY 89 HA2 -0.0353 -0.0378 -0.1163 966 GLY 89 HA3 -0.0393 0.1500 -0.0794 967 MET 90 N 0.0004 -0.0004 0.0211 968 MET 90 CA -0.0017 -0.0001 0.0164 969 MET 90 C -0.0052 0.0028 0.0195 970 MET 90 O -0.0030 0.0021 0.0226 971 MET 90 CB 0.0032 -0.0040 0.0132 972 MET 90 CG 0.0015 -0.0042 0.0072 973 MET 90 SD -0.0026 -0.0013 0.0086 974 MET 90 CE -0.0031 -0.0027 0.0008 975 MET 90 H -0.0009 0.0002 0.0203 976 MET 90 HA -0.0044 0.0009 0.0127 977 MET 90 HB2 0.0058 -0.0060 0.0117 978 MET 90 HB3 0.0056 -0.0047 0.0168 979 MET 90 HG2 -0.0009 -0.0035 0.0035 980 MET 90 HG3 0.0053 -0.0071 0.0052 981 MET 90 HE1 -0.0052 -0.0021 -0.0028 982 MET 90 HE2 -0.0055 -0.0011 0.0009 983 MET 90 HE3 0.0010 -0.0056 -0.0004 984 GLY 91 N -0.0203 -0.0059 -0.0117 985 GLY 91 CA -0.0132 -0.0161 -0.0130 986 GLY 91 C -0.0051 -0.0228 0.0025 987 GLY 91 O 0.0035 -0.0348 0.0025 988 GLY 91 H -0.0179 -0.0086 -0.0098 989 GLY 91 HA2 -0.0171 -0.0113 -0.0149 990 GLY 91 HA3 -0.0099 -0.0238 -0.0233 991 SER 92 N -0.0012 0.0046 -0.0155 992 SER 92 CA -0.0072 -0.0048 -0.0044 993 SER 92 C -0.0099 -0.0002 0.0148 994 SER 92 O -0.0062 0.0143 0.0214 995 SER 92 CB -0.0052 -0.0016 -0.0081 996 SER 92 OG -0.0026 -0.0059 -0.0262 997 SER 92 H 0.0031 0.0170 -0.0148 998 SER 92 HA -0.0113 -0.0181 -0.0075 999 SER 92 HB2 -0.0011 0.0117 -0.0050 1000 SER 92 HB3 -0.0097 -0.0092 -0.0002 1001 SER 92 HG -0.0019 -0.0075 -0.0319 1002 TYR 93 N 0.0048 -0.0082 -0.0024 1003 TYR 93 CA 0.0016 -0.0060 -0.0025 1004 TYR 93 C -0.0023 -0.0075 -0.0048 1005 TYR 93 O -0.0023 -0.0093 -0.0057 1006 TYR 93 CB 0.0013 -0.0017 -0.0003 1007 TYR 93 CG -0.0016 0.0009 -0.0000 1008 TYR 93 CD1 -0.0003 0.0023 0.0012 1009 TYR 93 CD2 -0.0056 0.0021 -0.0009 1010 TYR 93 CE1 -0.0029 0.0047 0.0015 1011 TYR 93 CE2 -0.0082 0.0045 -0.0006 1012 TYR 93 CZ -0.0068 0.0058 0.0006 1013 TYR 93 OH -0.0094 0.0082 0.0009 1014 TYR 93 H 0.0048 -0.0078 -0.0022 1015 TYR 93 HA 0.0022 -0.0065 -0.0026 1016 TYR 93 HB2 0.0042 -0.0010 0.0012 1017 TYR 93 HB3 0.0004 -0.0013 -0.0004 1018 TYR 93 HD1 0.0028 0.0014 0.0019 1019 TYR 93 HD2 -0.0066 0.0011 -0.0018 1020 TYR 93 HE1 -0.0018 0.0057 0.0025 1021 TYR 93 HE2 -0.0113 0.0054 -0.0013 1022 TYR 93 HH -0.0118 0.0071 -0.0006 1023 VAL 94 N 0.0129 0.0062 0.0004 1024 VAL 94 CA 0.0097 0.0042 0.0003 1025 VAL 94 C 0.0091 0.0042 0.0003 1026 VAL 94 O 0.0083 0.0070 0.0010 1027 VAL 94 CB 0.0062 0.0053 0.0008 1028 VAL 94 CG1 0.0054 0.0092 0.0017 1029 VAL 94 CG2 0.0029 0.0030 0.0006 1030 VAL 94 H 0.0126 0.0082 0.0009 1031 VAL 94 HA 0.0102 0.0014 -0.0004 1032 VAL 94 HB 0.0066 0.0049 0.0007 1033 VAL 94 HG11 0.0029 0.0099 0.0021 1034 VAL 94 HG12 0.0050 0.0098 0.0019 1035 VAL 94 HG13 0.0076 0.0108 0.0019 1036 VAL 94 HG21 0.0024 0.0033 0.0007 1037 VAL 94 HG22 0.0005 0.0038 0.0010 1038 VAL 94 HG23 0.0034 0.0002 -0.0000