1 ASP 28 N 0.0182 0.0176 0.0108 2 ASP 28 CA 0.0134 0.0139 0.0050 3 ASP 28 C 0.0002 0.0166 0.0012 4 ASP 28 O -0.0055 0.0249 0.0063 5 ASP 28 CB 0.0169 0.0178 0.0103 6 ASP 28 CG 0.0124 0.0141 0.0047 7 ASP 28 OD1 0.0162 0.0055 -0.0015 8 ASP 28 OD2 0.0054 0.0199 0.0068 9 ASP 28 H 0.0273 0.0160 0.0136 10 ASP 28 HA 0.0169 0.0062 -0.0004 11 ASP 28 HB2 0.0264 0.0157 0.0129 12 ASP 28 HB3 0.0135 0.0254 0.0158 13 PRO 29 N 0.0285 0.0345 -0.0232 14 PRO 29 CA 0.0122 0.0276 -0.0191 15 PRO 29 C -0.0169 0.0575 -0.0302 16 PRO 29 O -0.0429 0.0685 -0.0332 17 PRO 29 CB -0.0094 -0.0080 -0.0022 18 PRO 29 CG 0.0063 -0.0247 0.0040 19 PRO 29 CD 0.0185 0.0058 -0.0101 20 PRO 29 HA 0.0352 0.0246 -0.0193 21 PRO 29 HB2 -0.0406 -0.0018 -0.0029 22 PRO 29 HB3 -0.0036 -0.0249 0.0047 23 PRO 29 HG2 -0.0164 -0.0400 0.0121 24 PRO 29 HG3 0.0314 -0.0422 0.0099 25 PRO 29 HD2 -0.0055 0.0144 -0.0122 26 PRO 29 HD3 0.0440 -0.0026 -0.0081 27 ASN 30 N -0.0178 0.0249 0.0115 28 ASN 30 CA -0.0131 0.0194 0.0127 29 ASN 30 C -0.0071 0.0035 0.0271 30 ASN 30 O 0.0067 -0.0078 0.0237 31 ASN 30 CB -0.0019 0.0208 -0.0053 32 ASN 30 CG 0.0041 0.0151 -0.0056 33 ASN 30 OD1 -0.0026 0.0235 -0.0081 34 ASN 30 ND2 0.0168 0.0011 -0.0036 35 ASN 30 H -0.0279 0.0348 0.0116 36 ASN 30 HA -0.0233 0.0268 0.0165 37 ASN 30 HB2 -0.0076 0.0326 -0.0142 38 ASN 30 HB3 0.0071 0.0146 -0.0091 39 ASN 30 HD21 0.0220 -0.0051 -0.0019 40 ASN 30 HD22 0.0208 -0.0028 -0.0036 41 ALA 31 N -0.0053 -0.0225 0.0295 42 ALA 31 CA -0.0042 -0.0257 0.0334 43 ALA 31 C -0.0064 -0.0228 0.0385 44 ALA 31 O -0.0071 -0.0227 0.0426 45 ALA 31 CB -0.0018 -0.0305 0.0354 46 ALA 31 H -0.0072 -0.0193 0.0307 47 ALA 31 HA -0.0033 -0.0268 0.0312 48 ALA 31 HB1 -0.0009 -0.0328 0.0382 49 ALA 31 HB2 -0.0027 -0.0295 0.0376 50 ALA 31 HB3 -0.0002 -0.0325 0.0318 51 GLU 32 N -0.0062 -0.0259 0.0278 52 GLU 32 CA 0.0056 -0.0133 0.0256 53 GLU 32 C 0.0023 -0.0089 0.0192 54 GLU 32 O 0.0116 -0.0003 0.0186 55 GLU 32 CB 0.0076 -0.0023 0.0174 56 GLU 32 CG -0.0055 0.0012 0.0042 57 GLU 32 CD -0.0026 0.0126 -0.0036 58 GLU 32 OE1 0.0028 0.0248 -0.0103 59 GLU 32 OE2 -0.0053 0.0096 -0.0031 60 GLU 32 H -0.0134 -0.0251 0.0217 61 GLU 32 HA 0.0152 -0.0155 0.0349 62 GLU 32 HB2 0.0166 0.0068 0.0162 63 GLU 32 HB3 0.0100 -0.0059 0.0224 64 GLU 32 HG2 -0.0146 -0.0077 0.0052 65 GLU 32 HG3 -0.0083 0.0044 -0.0008 66 PHE 33 N -0.0080 -0.0258 0.0020 67 PHE 33 CA -0.0089 -0.0216 0.0005 68 PHE 33 C -0.0079 -0.0235 0.0011 69 PHE 33 O -0.0073 -0.0281 0.0029 70 PHE 33 CB -0.0148 -0.0196 0.0001 71 PHE 33 CG -0.0191 -0.0237 0.0020 72 PHE 33 CD1 -0.0209 -0.0252 0.0027 73 PHE 33 CD2 -0.0211 -0.0260 0.0031 74 PHE 33 CE1 -0.0247 -0.0289 0.0044 75 PHE 33 CE2 -0.0249 -0.0297 0.0048 76 PHE 33 CZ -0.0267 -0.0312 0.0055 77 PHE 33 H -0.0107 -0.0285 0.0033 78 PHE 33 HA -0.0062 -0.0186 -0.0009 79 PHE 33 HB2 -0.0157 -0.0168 -0.0009 80 PHE 33 HB3 -0.0153 -0.0178 -0.0005 81 PHE 33 HD1 -0.0194 -0.0234 0.0019 82 PHE 33 HD2 -0.0197 -0.0249 0.0025 83 PHE 33 HE1 -0.0262 -0.0300 0.0050 84 PHE 33 HE2 -0.0265 -0.0315 0.0056 85 PHE 33 HZ -0.0297 -0.0342 0.0068 86 ASP 34 N -0.0057 0.0029 -0.0104 87 ASP 34 CA -0.0038 0.0046 -0.0119 88 ASP 34 C -0.0040 0.0068 -0.0099 89 ASP 34 O -0.0047 0.0081 -0.0076 90 ASP 34 CB -0.0021 0.0061 -0.0133 91 ASP 34 CG -0.0001 0.0077 -0.0151 92 ASP 34 OD1 0.0004 0.0100 -0.0141 93 ASP 34 OD2 0.0010 0.0066 -0.0176 94 ASP 34 H -0.0060 0.0037 -0.0093 95 ASP 34 HA -0.0036 0.0032 -0.0133 96 ASP 34 HB2 -0.0021 0.0046 -0.0145 97 ASP 34 HB3 -0.0023 0.0077 -0.0118 98 PRO 35 N 0.0009 0.0055 -0.0127 99 PRO 35 CA 0.0043 0.0060 -0.0121 100 PRO 35 C 0.0048 0.0050 -0.0115 101 PRO 35 O 0.0076 0.0054 -0.0110 102 PRO 35 CB 0.0052 0.0093 -0.0138 103 PRO 35 CG 0.0020 0.0105 -0.0152 104 PRO 35 CD -0.0007 0.0083 -0.0146 105 PRO 35 HA 0.0059 0.0048 -0.0111 106 PRO 35 HB2 0.0071 0.0100 -0.0137 107 PRO 35 HB3 0.0060 0.0098 -0.0139 108 PRO 35 HG2 0.0018 0.0107 -0.0154 109 PRO 35 HG3 0.0020 0.0126 -0.0164 110 PRO 35 HD2 -0.0027 0.0080 -0.0150 111 PRO 35 HD3 -0.0015 0.0089 -0.0152 112 ASP 36 N 0.0081 0.0045 -0.0285 113 ASP 36 CA 0.0101 -0.0132 -0.0199 114 ASP 36 C 0.0095 -0.0132 -0.0167 115 ASP 36 O 0.0126 -0.0276 -0.0179 116 ASP 36 CB 0.0074 -0.0171 -0.0015 117 ASP 36 CG 0.0092 -0.0351 0.0085 118 ASP 36 OD1 0.0134 -0.0501 0.0024 119 ASP 36 OD2 0.0063 -0.0343 0.0229 120 ASP 36 H 0.0044 0.0155 -0.0207 121 ASP 36 HA 0.0141 -0.0240 -0.0294 122 ASP 36 HB2 0.0081 -0.0179 -0.0044 123 ASP 36 HB3 0.0034 -0.0057 0.0076 124 LEU 37 N 0.0054 0.0072 -0.0112 125 LEU 37 CA 0.0044 0.0085 -0.0079 126 LEU 37 C 0.0027 0.0093 -0.0082 127 LEU 37 O 0.0006 0.0097 -0.0107 128 LEU 37 CB 0.0023 0.0099 -0.0062 129 LEU 37 CG 0.0041 0.0095 -0.0046 130 LEU 37 CD1 0.0067 0.0089 -0.0017 131 LEU 37 CD2 0.0054 0.0082 -0.0073 132 LEU 37 H 0.0039 0.0076 -0.0127 133 LEU 37 HA 0.0066 0.0079 -0.0062 134 LEU 37 HB2 0.0005 0.0103 -0.0082 135 LEU 37 HB3 0.0012 0.0110 -0.0042 136 LEU 37 HG 0.0023 0.0107 -0.0033 137 LEU 37 HD11 0.0079 0.0087 -0.0006 138 LEU 37 HD12 0.0085 0.0078 -0.0029 139 LEU 37 HD13 0.0057 0.0099 0.0003 140 LEU 37 HD21 0.0066 0.0079 -0.0060 141 LEU 37 HD22 0.0034 0.0087 -0.0092 142 LEU 37 HD23 0.0071 0.0070 -0.0086 143 PRO 38 N 0.0045 0.0058 -0.0051 144 PRO 38 CA 0.0042 0.0055 -0.0035 145 PRO 38 C 0.0014 0.0050 -0.0031 146 PRO 38 O -0.0001 0.0047 -0.0023 147 PRO 38 CB 0.0056 0.0054 -0.0010 148 PRO 38 CG 0.0074 0.0057 -0.0016 149 PRO 38 CD 0.0061 0.0058 -0.0037 150 PRO 38 HA 0.0051 0.0058 -0.0044 151 PRO 38 HB2 0.0042 0.0050 0.0004 152 PRO 38 HB3 0.0067 0.0054 -0.0003 153 PRO 38 HG2 0.0077 0.0055 0.0001 154 PRO 38 HG3 0.0092 0.0061 -0.0023 155 PRO 38 HD2 0.0049 0.0055 -0.0030 156 PRO 38 HD3 0.0075 0.0062 -0.0050 157 GLY 39 N -0.0004 0.0058 -0.0005 158 GLY 39 CA -0.0009 0.0053 -0.0004 159 GLY 39 C -0.0030 0.0072 -0.0011 160 GLY 39 O -0.0044 0.0066 -0.0010 161 GLY 39 H 0.0013 0.0068 -0.0007 162 GLY 39 HA2 0.0011 0.0055 -0.0003 163 GLY 39 HA3 -0.0018 0.0032 0.0002 164 GLY 40 N -0.0062 0.0120 -0.0066 165 GLY 40 CA -0.0061 0.0109 -0.0079 166 GLY 40 C -0.0050 0.0114 -0.0073 167 GLY 40 O -0.0051 0.0106 -0.0081 168 GLY 40 H -0.0052 0.0118 -0.0067 169 GLY 40 HA2 -0.0053 0.0100 -0.0090 170 GLY 40 HA3 -0.0078 0.0107 -0.0083 171 GLY 41 N -0.0040 0.0108 -0.0060 172 GLY 41 CA -0.0048 0.0108 -0.0044 173 GLY 41 C -0.0071 0.0115 -0.0036 174 GLY 41 O -0.0081 0.0117 -0.0024 175 GLY 41 H -0.0029 0.0104 -0.0057 176 GLY 41 HA2 -0.0037 0.0102 -0.0030 177 GLY 41 HA3 -0.0047 0.0109 -0.0052 178 LEU 42 N -0.0056 0.0102 -0.0033 179 LEU 42 CA -0.0058 0.0141 -0.0036 180 LEU 42 C -0.0055 0.0130 -0.0042 181 LEU 42 O -0.0058 0.0159 -0.0039 182 LEU 42 CB -0.0045 0.0170 -0.0073 183 LEU 42 CG -0.0047 0.0186 -0.0072 184 LEU 42 CD1 -0.0033 0.0213 -0.0111 185 LEU 42 CD2 -0.0065 0.0212 -0.0033 186 LEU 42 H -0.0044 0.0090 -0.0060 187 LEU 42 HA -0.0071 0.0160 -0.0008 188 LEU 42 HB2 -0.0032 0.0152 -0.0101 189 LEU 42 HB3 -0.0047 0.0200 -0.0074 190 LEU 42 HG -0.0044 0.0156 -0.0072 191 LEU 42 HD11 -0.0034 0.0224 -0.0110 192 LEU 42 HD12 -0.0035 0.0243 -0.0113 193 LEU 42 HD13 -0.0020 0.0194 -0.0138 194 LEU 42 HD21 -0.0068 0.0241 -0.0033 195 LEU 42 HD22 -0.0065 0.0222 -0.0034 196 LEU 42 HD23 -0.0074 0.0191 -0.0006 197 HIS 43 N 0.0001 -0.0025 0.0002 198 HIS 43 CA 0.0011 -0.0063 -0.0006 199 HIS 43 C -0.0021 -0.0069 -0.0027 200 HIS 43 O -0.0027 -0.0050 -0.0024 201 HIS 43 CB 0.0045 -0.0065 0.0014 202 HIS 43 CG 0.0078 -0.0055 0.0038 203 HIS 43 ND1 0.0102 -0.0083 0.0042 204 HIS 43 CD2 0.0091 -0.0020 0.0059 205 HIS 43 CE1 0.0128 -0.0066 0.0064 206 HIS 43 NE2 0.0123 -0.0028 0.0075 207 HIS 43 H -0.0008 -0.0000 0.0006 208 HIS 43 HA 0.0015 -0.0088 -0.0012 209 HIS 43 HB2 0.0039 -0.0045 0.0018 210 HIS 43 HB3 0.0052 -0.0095 0.0007 211 HIS 43 HD1 0.0099 -0.0111 0.0030 212 HIS 43 HD2 0.0079 0.0009 0.0062 213 HIS 43 HE1 0.0151 -0.0082 0.0072 214 HIS 43 HE2 0.0136 -0.0008 0.0090 215 ARG 44 N 0.0001 -0.0008 0.0022 216 ARG 44 CA -0.0028 -0.0041 0.0036 217 ARG 44 C -0.0041 -0.0083 0.0048 218 ARG 44 O -0.0045 -0.0079 0.0048 219 ARG 44 CB -0.0076 -0.0015 0.0046 220 ARG 44 CG -0.0074 0.0036 0.0037 221 ARG 44 CD -0.0125 0.0058 0.0048 222 ARG 44 NE -0.0127 0.0108 0.0039 223 ARG 44 CZ -0.0167 0.0133 0.0047 224 ARG 44 NH1 -0.0209 0.0112 0.0063 225 ARG 44 NH2 -0.0166 0.0179 0.0038 226 ARG 44 H -0.0010 0.0005 0.0023 227 ARG 44 HA -0.0011 -0.0052 0.0034 228 ARG 44 HB2 -0.0097 -0.0015 0.0052 229 ARG 44 HB3 -0.0093 -0.0038 0.0055 230 ARG 44 HG2 -0.0057 0.0034 0.0032 231 ARG 44 HG3 -0.0055 0.0057 0.0027 232 ARG 44 HD2 -0.0143 0.0056 0.0053 233 ARG 44 HD3 -0.0143 0.0036 0.0057 234 ARG 44 HE -0.0096 0.0124 0.0027 235 ARG 44 HH11 -0.0211 0.0078 0.0070 236 ARG 44 HH12 -0.0240 0.0130 0.0069 237 ARG 44 HH21 -0.0136 0.0197 0.0026 238 ARG 44 HH22 -0.0196 0.0198 0.0044 239 CYS 45 N 0.0003 -0.0037 0.0071 240 CYS 45 CA -0.0004 -0.0044 0.0084 241 CYS 45 C -0.0014 -0.0044 0.0096 242 CYS 45 O -0.0011 -0.0053 0.0098 243 CYS 45 CB 0.0005 -0.0060 0.0086 244 CYS 45 SG -0.0004 -0.0070 0.0103 245 CYS 45 H 0.0010 -0.0043 0.0068 246 CYS 45 HA -0.0009 -0.0035 0.0083 247 CYS 45 HB2 0.0011 -0.0059 0.0078 248 CYS 45 HB3 0.0011 -0.0068 0.0084 249 LEU 46 N -0.0104 -0.0029 0.0174 250 LEU 46 CA -0.0120 -0.0024 0.0140 251 LEU 46 C -0.0100 -0.0024 0.0167 252 LEU 46 O -0.0082 -0.0008 0.0141 253 LEU 46 CB -0.0178 -0.0044 0.0126 254 LEU 46 CG -0.0202 -0.0043 0.0096 255 LEU 46 CD1 -0.0261 -0.0065 0.0088 256 LEU 46 CD2 -0.0182 -0.0015 0.0043 257 LEU 46 H -0.0131 -0.0046 0.0188 258 LEU 46 HA -0.0103 -0.0003 0.0104 259 LEU 46 HB2 -0.0195 -0.0064 0.0163 260 LEU 46 HB3 -0.0189 -0.0039 0.0102 261 LEU 46 HG -0.0190 -0.0046 0.0120 262 LEU 46 HD11 -0.0274 -0.0085 0.0127 263 LEU 46 HD12 -0.0277 -0.0064 0.0066 264 LEU 46 HD13 -0.0273 -0.0063 0.0068 265 LEU 46 HD21 -0.0141 0.0001 0.0049 266 LEU 46 HD22 -0.0191 -0.0010 0.0020 267 LEU 46 HD23 -0.0201 -0.0015 0.0023 268 ALA 47 N -0.0090 0.0022 0.0197 269 ALA 47 CA -0.0081 0.0035 0.0201 270 ALA 47 C -0.0073 0.0045 0.0202 271 ALA 47 O -0.0064 0.0056 0.0202 272 ALA 47 CB -0.0088 0.0039 0.0213 273 ALA 47 H -0.0099 0.0018 0.0204 274 ALA 47 HA -0.0076 0.0033 0.0192 275 ALA 47 HB1 -0.0082 0.0048 0.0215 276 ALA 47 HB2 -0.0094 0.0040 0.0222 277 ALA 47 HB3 -0.0094 0.0031 0.0212 278 CYS 48 N 0.0012 -0.0009 0.0072 279 CYS 48 CA 0.0039 -0.0001 0.0071 280 CYS 48 C 0.0042 0.0022 0.0048 281 CYS 48 O 0.0062 0.0030 0.0044 282 CYS 48 CB 0.0065 -0.0006 0.0083 283 CYS 48 SG 0.0064 -0.0033 0.0111 284 CYS 48 H 0.0008 -0.0004 0.0066 285 CYS 48 HA 0.0037 -0.0009 0.0078 286 CYS 48 HB2 0.0068 -0.0003 0.0080 287 CYS 48 HB3 0.0085 -0.0001 0.0082 288 ALA 49 N 0.0011 0.0035 0.0097 289 ALA 49 CA 0.0018 0.0030 0.0073 290 ALA 49 C 0.0025 0.0035 0.0074 291 ALA 49 O 0.0037 0.0036 0.0057 292 ALA 49 CB 0.0038 0.0037 0.0058 293 ALA 49 H -0.0004 0.0027 0.0101 294 ALA 49 HA 0.0004 0.0018 0.0063 295 ALA 49 HB1 0.0052 0.0049 0.0067 296 ALA 49 HB2 0.0033 0.0034 0.0057 297 ALA 49 HB3 0.0042 0.0033 0.0040 298 ARG 50 N 0.0168 -0.0059 0.0006 299 ARG 50 CA 0.0061 -0.0074 0.0040 300 ARG 50 C -0.0031 -0.0174 0.0063 301 ARG 50 O -0.0050 -0.0182 0.0069 302 ARG 50 CB -0.0004 0.0058 0.0071 303 ARG 50 CG 0.0079 0.0163 0.0051 304 ARG 50 CD 0.0007 0.0290 0.0084 305 ARG 50 NE 0.0086 0.0395 0.0066 306 ARG 50 CZ 0.0050 0.0520 0.0087 307 ARG 50 NH1 -0.0067 0.0555 0.0127 308 ARG 50 NH2 0.0129 0.0609 0.0067 309 ARG 50 H 0.0159 -0.0012 0.0012 310 ARG 50 HA 0.0095 -0.0112 0.0026 311 ARG 50 HB2 -0.0036 0.0096 0.0084 312 ARG 50 HB3 -0.0086 0.0038 0.0096 313 ARG 50 HG2 0.0109 0.0126 0.0039 314 ARG 50 HG3 0.0160 0.0184 0.0026 315 ARG 50 HD2 -0.0026 0.0326 0.0097 316 ARG 50 HD3 -0.0073 0.0269 0.0109 317 ARG 50 HE 0.0171 0.0367 0.0035 318 ARG 50 HH11 -0.0130 0.0491 0.0144 319 ARG 50 HH12 -0.0098 0.0647 0.0145 320 ARG 50 HH21 0.0217 0.0586 0.0036 321 ARG 50 HH22 0.0103 0.0703 0.0082 322 TYR 51 N 0.0001 -0.0012 0.0055 323 TYR 51 CA -0.0003 0.0004 0.0028 324 TYR 51 C 0.0013 -0.0004 0.0013 325 TYR 51 O 0.0035 -0.0022 0.0011 326 TYR 51 CB 0.0002 0.0008 0.0010 327 TYR 51 CG -0.0012 0.0014 0.0024 328 TYR 51 CD1 -0.0003 -0.0002 0.0042 329 TYR 51 CD2 -0.0034 0.0035 0.0021 330 TYR 51 CE1 -0.0016 0.0003 0.0055 331 TYR 51 CE2 -0.0047 0.0040 0.0034 332 TYR 51 CZ -0.0037 0.0024 0.0051 333 TYR 51 OH -0.0050 0.0029 0.0064 334 TYR 51 H 0.0016 -0.0025 0.0053 335 TYR 51 HA -0.0022 0.0019 0.0032 336 TYR 51 HB2 0.0021 -0.0007 0.0006 337 TYR 51 HB3 -0.0002 0.0021 -0.0010 338 TYR 51 HD1 0.0014 -0.0019 0.0045 339 TYR 51 HD2 -0.0042 0.0048 0.0007 340 TYR 51 HE1 -0.0008 -0.0010 0.0069 341 TYR 51 HE2 -0.0064 0.0057 0.0031 342 TYR 51 HH -0.0039 0.0020 0.0062 343 PHE 52 N 0.0017 -0.0070 0.0017 344 PHE 52 CA 0.0020 -0.0073 0.0000 345 PHE 52 C 0.0023 -0.0065 -0.0009 346 PHE 52 O 0.0023 -0.0052 -0.0005 347 PHE 52 CB 0.0022 -0.0067 -0.0005 348 PHE 52 CG 0.0020 -0.0074 0.0004 349 PHE 52 CD1 0.0017 -0.0068 0.0019 350 PHE 52 CD2 0.0020 -0.0087 -0.0003 351 PHE 52 CE1 0.0015 -0.0075 0.0028 352 PHE 52 CE2 0.0018 -0.0094 0.0006 353 PHE 52 CZ 0.0015 -0.0087 0.0021 354 PHE 52 H 0.0017 -0.0059 0.0022 355 PHE 52 HA 0.0020 -0.0086 -0.0002 356 PHE 52 HB2 0.0023 -0.0053 -0.0003 357 PHE 52 HB3 0.0024 -0.0069 -0.0018 358 PHE 52 HD1 0.0017 -0.0058 0.0025 359 PHE 52 HD2 0.0022 -0.0092 -0.0015 360 PHE 52 HE1 0.0013 -0.0070 0.0039 361 PHE 52 HE2 0.0018 -0.0104 0.0000 362 PHE 52 HZ 0.0013 -0.0093 0.0027 363 ILE 53 N -0.0000 -0.0006 0.0012 364 ILE 53 CA 0.0015 -0.0005 0.0079 365 ILE 53 C 0.0066 -0.0053 0.0099 366 ILE 53 O 0.0087 -0.0064 0.0144 367 ILE 53 CB -0.0009 0.0031 0.0118 368 ILE 53 CG1 -0.0003 0.0019 0.0099 369 ILE 53 CG2 -0.0060 0.0082 0.0110 370 ILE 53 CD1 -0.0024 0.0051 0.0137 371 ILE 53 H -0.0022 0.0013 -0.0001 372 ILE 53 HA 0.0006 0.0008 0.0090 373 ILE 53 HB 0.0006 0.0028 0.0167 374 ILE 53 HG12 -0.0016 0.0021 0.0050 375 ILE 53 HG13 0.0033 -0.0017 0.0107 376 ILE 53 HG21 -0.0075 0.0085 0.0060 377 ILE 53 HG22 -0.0063 0.0090 0.0127 378 ILE 53 HG23 -0.0076 0.0106 0.0137 379 ILE 53 HD11 -0.0009 0.0049 0.0187 380 ILE 53 HD12 -0.0018 0.0041 0.0120 381 ILE 53 HD13 -0.0060 0.0088 0.0130 382 ASP 54 N 0.0053 -0.0080 0.0062 383 ASP 54 CA 0.0106 -0.0115 0.0074 384 ASP 54 C 0.0124 -0.0152 0.0018 385 ASP 54 O 0.0095 -0.0149 -0.0027 386 ASP 54 CB 0.0121 -0.0113 0.0106 387 ASP 54 CG 0.0176 -0.0147 0.0124 388 ASP 54 OD1 0.0199 -0.0146 0.0169 389 ASP 54 OD2 0.0197 -0.0175 0.0093 390 ASP 54 H 0.0033 -0.0081 0.0025 391 ASP 54 HA 0.0123 -0.0117 0.0101 392 ASP 54 HB2 0.0106 -0.0086 0.0144 393 ASP 54 HB3 0.0105 -0.0112 0.0078 394 SER 55 N 0.0123 -0.0151 0.0042 395 SER 55 CA 0.0146 -0.0188 -0.0007 396 SER 55 C 0.0142 -0.0184 -0.0023 397 SER 55 O 0.0141 -0.0193 -0.0077 398 SER 55 CB 0.0192 -0.0238 0.0012 399 SER 55 OG 0.0216 -0.0275 -0.0034 400 SER 55 H 0.0138 -0.0163 0.0082 401 SER 55 HA 0.0135 -0.0181 -0.0048 402 SER 55 HB2 0.0193 -0.0239 0.0017 403 SER 55 HB3 0.0203 -0.0244 0.0056 404 SER 55 HG 0.0226 -0.0286 -0.0025 405 THR 56 N 0.0138 -0.0166 -0.0048 406 THR 56 CA 0.0120 -0.0165 -0.0117 407 THR 56 C 0.0068 -0.0185 -0.0136 408 THR 56 O 0.0067 -0.0179 -0.0189 409 THR 56 CB 0.0099 -0.0172 -0.0130 410 THR 56 OG1 0.0145 -0.0156 -0.0104 411 THR 56 CG2 0.0088 -0.0168 -0.0203 412 THR 56 H 0.0131 -0.0172 -0.0018 413 THR 56 HA 0.0159 -0.0145 -0.0145 414 THR 56 HB 0.0057 -0.0193 -0.0106 415 THR 56 HG1 0.0138 -0.0165 -0.0057 416 THR 56 HG21 0.0073 -0.0173 -0.0211 417 THR 56 HG22 0.0130 -0.0147 -0.0228 418 THR 56 HG23 0.0054 -0.0180 -0.0223 419 ASN 57 N 0.0101 -0.0161 -0.0130 420 ASN 57 CA 0.0058 -0.0178 -0.0140 421 ASN 57 C 0.0055 -0.0180 -0.0144 422 ASN 57 O 0.0034 -0.0195 -0.0172 423 ASN 57 CB 0.0024 -0.0178 -0.0105 424 ASN 57 CG 0.0010 -0.0185 -0.0112 425 ASN 57 OD1 -0.0020 -0.0201 -0.0134 426 ASN 57 ND2 0.0032 -0.0173 -0.0094 427 ASN 57 H 0.0103 -0.0152 -0.0100 428 ASN 57 HA 0.0052 -0.0189 -0.0171 429 ASN 57 HB2 0.0038 -0.0165 -0.0074 430 ASN 57 HB3 -0.0004 -0.0187 -0.0103 431 ASN 57 HD21 0.0056 -0.0160 -0.0077 432 ASN 57 HD22 0.0024 -0.0177 -0.0099 433 LEU 58 N 0.0079 -0.0147 -0.0091 434 LEU 58 CA 0.0086 -0.0142 -0.0086 435 LEU 58 C 0.0098 -0.0134 -0.0107 436 LEU 58 O 0.0095 -0.0136 -0.0115 437 LEU 58 CB 0.0099 -0.0136 -0.0062 438 LEU 58 CG 0.0112 -0.0130 -0.0054 439 LEU 58 CD1 0.0132 -0.0117 -0.0066 440 LEU 58 CD2 0.0099 -0.0137 -0.0058 441 LEU 58 H 0.0084 -0.0144 -0.0082 442 LEU 58 HA 0.0073 -0.0150 -0.0084 443 LEU 58 HB2 0.0088 -0.0143 -0.0048 444 LEU 58 HB3 0.0110 -0.0130 -0.0063 445 LEU 58 HG 0.0116 -0.0128 -0.0035 446 LEU 58 HD11 0.0140 -0.0113 -0.0060 447 LEU 58 HD12 0.0129 -0.0118 -0.0085 448 LEU 58 HD13 0.0141 -0.0112 -0.0062 449 LEU 58 HD21 0.0095 -0.0138 -0.0077 450 LEU 58 HD22 0.0108 -0.0132 -0.0052 451 LEU 58 HD23 0.0085 -0.0145 -0.0048 452 LYS 59 N 0.0120 -0.0119 -0.0158 453 LYS 59 CA 0.0105 -0.0101 -0.0139 454 LYS 59 C 0.0097 -0.0036 -0.0110 455 LYS 59 O 0.0107 -0.0003 -0.0108 456 LYS 59 CB 0.0060 -0.0145 -0.0116 457 LYS 59 CG 0.0014 -0.0151 -0.0080 458 LYS 59 CD -0.0026 -0.0199 -0.0062 459 LYS 59 CE -0.0042 -0.0184 -0.0043 460 LYS 59 NZ -0.0064 -0.0130 -0.0006 461 LYS 59 H 0.0101 -0.0153 -0.0154 462 LYS 59 HA 0.0135 -0.0101 -0.0165 463 LYS 59 HB2 0.0053 -0.0132 -0.0105 464 LYS 59 HB3 0.0069 -0.0189 -0.0139 465 LYS 59 HG2 0.0022 -0.0162 -0.0090 466 LYS 59 HG3 0.0003 -0.0108 -0.0056 467 LYS 59 HD2 -0.0013 -0.0240 -0.0087 468 LYS 59 HD3 -0.0056 -0.0206 -0.0038 469 LYS 59 HE2 -0.0012 -0.0176 -0.0066 470 LYS 59 HE3 -0.0069 -0.0221 -0.0033 471 LYS 59 HZ1 -0.0095 -0.0137 0.0018 472 LYS 59 HZ2 -0.0075 -0.0121 0.0006 473 LYS 59 HZ3 -0.0041 -0.0092 -0.0013 474 THR 60 N 0.0058 -0.0072 -0.0190 475 THR 60 CA 0.0020 -0.0069 -0.0231 476 THR 60 C 0.0077 -0.0086 -0.0167 477 THR 60 O 0.0074 -0.0042 -0.0178 478 THR 60 CB -0.0053 -0.0156 -0.0291 479 THR 60 OG1 -0.0106 -0.0136 -0.0352 480 THR 60 CG2 -0.0093 -0.0155 -0.0335 481 THR 60 H 0.0039 -0.0131 -0.0199 482 THR 60 HA 0.0003 0.0012 -0.0265 483 THR 60 HB -0.0032 -0.0234 -0.0254 484 THR 60 HG1 -0.0085 -0.0156 -0.0326 485 THR 60 HG21 -0.0143 -0.0218 -0.0375 486 THR 60 HG22 -0.0111 -0.0075 -0.0370 487 THR 60 HG23 -0.0054 -0.0171 -0.0290 488 HIS 61 N 0.0125 -0.0029 -0.0123 489 HIS 61 CA 0.0144 -0.0042 -0.0090 490 HIS 61 C 0.0143 -0.0015 -0.0059 491 HIS 61 O 0.0156 -0.0022 -0.0034 492 HIS 61 CB 0.0155 -0.0061 -0.0085 493 HIS 61 CG 0.0171 -0.0065 -0.0048 494 HIS 61 ND1 0.0188 -0.0087 -0.0030 495 HIS 61 CD2 0.0172 -0.0048 -0.0024 496 HIS 61 CE1 0.0199 -0.0082 0.0002 497 HIS 61 NE2 0.0189 -0.0060 0.0006 498 HIS 61 H 0.0121 -0.0030 -0.0136 499 HIS 61 HA 0.0151 -0.0060 -0.0093 500 HIS 61 HB2 0.0161 -0.0086 -0.0100 501 HIS 61 HB3 0.0145 -0.0048 -0.0094 502 HIS 61 HD1 0.0192 -0.0102 -0.0039 503 HIS 61 HD2 0.0161 -0.0030 -0.0029 504 HIS 61 HE1 0.0212 -0.0092 0.0026 505 PHE 62 N 0.0116 0.0057 -0.0085 506 PHE 62 CA 0.0127 0.0078 -0.0077 507 PHE 62 C 0.0114 0.0102 -0.0072 508 PHE 62 O 0.0119 0.0120 -0.0066 509 PHE 62 CB 0.0126 0.0074 -0.0078 510 PHE 62 CG 0.0136 0.0050 -0.0084 511 PHE 62 CD1 0.0161 0.0041 -0.0082 512 PHE 62 CD2 0.0121 0.0036 -0.0091 513 PHE 62 CE1 0.0169 0.0018 -0.0087 514 PHE 62 CE2 0.0130 0.0013 -0.0096 515 PHE 62 CZ 0.0154 0.0004 -0.0094 516 PHE 62 H 0.0103 0.0048 -0.0090 517 PHE 62 HA 0.0146 0.0078 -0.0074 518 PHE 62 HB2 0.0107 0.0078 -0.0081 519 PHE 62 HB3 0.0139 0.0088 -0.0072 520 PHE 62 HD1 0.0172 0.0052 -0.0077 521 PHE 62 HD2 0.0102 0.0042 -0.0092 522 PHE 62 HE1 0.0189 0.0012 -0.0086 523 PHE 62 HE2 0.0118 0.0002 -0.0101 524 PHE 62 HZ 0.0160 -0.0014 -0.0099 525 ARG 63 N 0.0353 0.0193 -0.0111 526 ARG 63 CA 0.0240 0.0391 -0.0003 527 ARG 63 C 0.0411 0.0575 0.0057 528 ARG 63 O 0.0344 0.0752 0.0148 529 ARG 63 CB 0.0040 0.0369 0.0016 530 ARG 63 CG -0.0155 0.0219 -0.0024 531 ARG 63 CD -0.0350 0.0199 -0.0005 532 ARG 63 NE -0.0441 0.0404 0.0103 533 ARG 63 CZ -0.0634 0.0429 0.0143 534 ARG 63 NH1 -0.0768 0.0262 0.0086 535 ARG 63 NH2 -0.0695 0.0622 0.0241 536 ARG 63 H 0.0337 0.0083 -0.0159 537 ARG 63 HA 0.0173 0.0426 0.0023 538 ARG 63 HB2 0.0102 0.0310 -0.0020 539 ARG 63 HB3 -0.0026 0.0523 0.0097 540 ARG 63 HG2 -0.0220 0.0281 0.0014 541 ARG 63 HG3 -0.0091 0.0065 -0.0104 542 ARG 63 HD2 -0.0486 0.0096 -0.0032 543 ARG 63 HD3 -0.0287 0.0130 -0.0046 544 ARG 63 HE -0.0347 0.0529 0.0147 545 ARG 63 HH11 -0.0729 0.0113 0.0012 546 ARG 63 HH12 -0.0914 0.0277 0.0114 547 ARG 63 HH21 -0.0598 0.0751 0.0286 548 ARG 63 HH22 -0.0838 0.0651 0.0276 549 SER 64 N 0.0315 0.0219 0.0087 550 SER 64 CA 0.0306 0.0198 0.0100 551 SER 64 C 0.0250 0.0161 0.0107 552 SER 64 O 0.0205 0.0174 0.0080 553 SER 64 CB 0.0299 0.0236 0.0068 554 SER 64 OG 0.0343 0.0277 0.0053 555 SER 64 H 0.0303 0.0249 0.0060 556 SER 64 HA 0.0340 0.0182 0.0125 557 SER 64 HB2 0.0260 0.0246 0.0046 558 SER 64 HB3 0.0300 0.0222 0.0079 559 SER 64 HG 0.0377 0.0270 0.0072 560 LYS 65 N 0.0339 0.0009 -0.0148 561 LYS 65 CA 0.0281 0.0019 -0.0098 562 LYS 65 C 0.0080 -0.0029 0.0053 563 LYS 65 O 0.0007 0.0065 0.0137 564 LYS 65 CB 0.0382 -0.0119 -0.0215 565 LYS 65 CG 0.0389 -0.0362 -0.0282 566 LYS 65 CD 0.0209 -0.0508 -0.0172 567 LYS 65 CE 0.0225 -0.0745 -0.0245 568 LYS 65 NZ 0.0051 -0.0887 -0.0139 569 LYS 65 H 0.0418 -0.0095 -0.0238 570 LYS 65 HA 0.0316 0.0191 -0.0083 571 LYS 65 HB2 0.0320 -0.0121 -0.0165 572 LYS 65 HB3 0.0516 -0.0034 -0.0303 573 LYS 65 HG2 0.0473 -0.0430 -0.0367 574 LYS 65 HG3 0.0447 -0.0365 -0.0330 575 LYS 65 HD2 0.0123 -0.0444 -0.0086 576 LYS 65 HD3 0.0155 -0.0507 -0.0127 577 LYS 65 HE2 0.0303 -0.0812 -0.0325 578 LYS 65 HE3 0.0291 -0.0743 -0.0297 579 LYS 65 HZ1 -0.0017 -0.0893 -0.0085 580 LYS 65 HZ2 -0.0028 -0.0833 -0.0061 581 LYS 65 HZ3 0.0066 -0.1048 -0.0192 582 ASP 66 N 0.0119 -0.0114 -0.0032 583 ASP 66 CA -0.0007 -0.0148 0.0020 584 ASP 66 C -0.0064 -0.0036 0.0100 585 ASP 66 O -0.0149 -0.0032 0.0148 586 ASP 66 CB -0.0066 -0.0239 0.0010 587 ASP 66 CG -0.0191 -0.0296 0.0052 588 ASP 66 OD1 -0.0210 -0.0391 0.0019 589 ASP 66 OD2 -0.0272 -0.0249 0.0116 590 ASP 66 H 0.0149 -0.0134 -0.0058 591 ASP 66 HA -0.0016 -0.0190 0.0006 592 ASP 66 HB2 -0.0015 -0.0308 -0.0048 593 ASP 66 HB3 -0.0066 -0.0192 0.0032 594 HIS 67 N 0.0035 0.0070 0.0142 595 HIS 67 CA 0.0023 0.0096 0.0145 596 HIS 67 C -0.0001 0.0140 0.0158 597 HIS 67 O -0.0020 0.0152 0.0189 598 HIS 67 CB 0.0040 0.0104 0.0100 599 HIS 67 CG 0.0031 0.0126 0.0099 600 HIS 67 ND1 0.0018 0.0119 0.0134 601 HIS 67 CD2 0.0040 0.0142 0.0064 602 HIS 67 CE1 0.0020 0.0129 0.0121 603 HIS 67 NE2 0.0034 0.0142 0.0078 604 HIS 67 H 0.0051 0.0062 0.0113 605 HIS 67 HA 0.0019 0.0078 0.0170 606 HIS 67 HB2 0.0057 0.0073 0.0089 607 HIS 67 HB3 0.0043 0.0123 0.0075 608 HIS 67 HD1 0.0009 0.0108 0.0166 609 HIS 67 HD2 0.0047 0.0156 0.0034 610 HIS 67 HE1 0.0012 0.0128 0.0140 611 LYS 68 N -0.0021 0.0092 0.0067 612 LYS 68 CA -0.0046 0.0129 0.0072 613 LYS 68 C -0.0081 0.0106 0.0108 614 LYS 68 O -0.0116 0.0132 0.0124 615 LYS 68 CB -0.0016 0.0144 0.0042 616 LYS 68 CG 0.0021 0.0163 0.0005 617 LYS 68 CD 0.0052 0.0177 -0.0024 618 LYS 68 CE 0.0074 0.0131 -0.0022 619 LYS 68 NZ 0.0105 0.0142 -0.0051 620 LYS 68 H 0.0010 0.0076 0.0050 621 LYS 68 HA -0.0062 0.0161 0.0071 622 LYS 68 HB2 -0.0002 0.0111 0.0044 623 LYS 68 HB3 -0.0034 0.0174 0.0043 624 LYS 68 HG2 0.0010 0.0193 0.0001 625 LYS 68 HG3 0.0040 0.0133 0.0003 626 LYS 68 HD2 0.0033 0.0206 -0.0022 627 LYS 68 HD3 0.0077 0.0192 -0.0050 628 LYS 68 HE2 0.0091 0.0101 -0.0023 629 LYS 68 HE3 0.0049 0.0117 0.0003 630 LYS 68 HZ1 0.0090 0.0171 -0.0052 631 LYS 68 HZ2 0.0121 0.0110 -0.0050 632 LYS 68 HZ3 0.0129 0.0155 -0.0075 633 LYS 69 N -0.0045 0.0150 0.0006 634 LYS 69 CA -0.0094 0.0103 0.0097 635 LYS 69 C -0.0156 0.0105 0.0188 636 LYS 69 O -0.0218 0.0141 0.0265 637 LYS 69 CB -0.0051 -0.0021 0.0088 638 LYS 69 CG -0.0092 -0.0101 0.0182 639 LYS 69 CD -0.0038 -0.0222 0.0153 640 LYS 69 CE -0.0069 -0.0318 0.0239 641 LYS 69 NZ -0.0010 -0.0432 0.0201 642 LYS 69 H 0.0005 0.0100 -0.0046 643 LYS 69 HA -0.0113 0.0152 0.0105 644 LYS 69 HB2 -0.0017 -0.0019 0.0036 645 LYS 69 HB3 -0.0018 -0.0058 0.0054 646 LYS 69 HG2 -0.0128 -0.0097 0.0233 647 LYS 69 HG3 -0.0121 -0.0073 0.0212 648 LYS 69 HD2 -0.0003 -0.0218 0.0100 649 LYS 69 HD3 -0.0007 -0.0243 0.0116 650 LYS 69 HE2 -0.0106 -0.0320 0.0295 651 LYS 69 HE3 -0.0095 -0.0302 0.0271 652 LYS 69 HZ1 -0.0029 -0.0502 0.0258 653 LYS 69 HZ2 0.0017 -0.0446 0.0167 654 LYS 69 HZ3 0.0027 -0.0430 0.0145 655 ARG 70 N -0.0154 0.0132 0.0188 656 ARG 70 CA -0.0113 0.0136 0.0119 657 ARG 70 C -0.0099 0.0048 0.0094 658 ARG 70 O -0.0062 0.0029 0.0030 659 ARG 70 CB -0.0115 0.0190 0.0123 660 ARG 70 CG -0.0073 0.0203 0.0049 661 ARG 70 CD -0.0042 0.0245 -0.0003 662 ARG 70 NE -0.0000 0.0256 -0.0075 663 ARG 70 CZ 0.0036 0.0257 -0.0137 664 ARG 70 NH1 0.0035 0.0247 -0.0135 665 ARG 70 NH2 0.0072 0.0268 -0.0199 666 ARG 70 H -0.0179 0.0154 0.0231 667 ARG 70 HA -0.0091 0.0164 0.0081 668 ARG 70 HB2 -0.0130 0.0249 0.0148 669 ARG 70 HB3 -0.0135 0.0157 0.0157 670 ARG 70 HG2 -0.0077 0.0243 0.0057 671 ARG 70 HG3 -0.0060 0.0144 0.0027 672 ARG 70 HD2 -0.0039 0.0207 -0.0009 673 ARG 70 HD3 -0.0054 0.0306 0.0018 674 ARG 70 HE 0.0000 0.0264 -0.0076 675 ARG 70 HH11 0.0008 0.0239 -0.0090 676 ARG 70 HH12 0.0062 0.0247 -0.0181 677 ARG 70 HH21 0.0073 0.0276 -0.0201 678 ARG 70 HH22 0.0100 0.0269 -0.0247 679 LEU 71 N -0.0102 0.0093 0.0107 680 LEU 71 CA -0.0098 0.0069 0.0104 681 LEU 71 C -0.0092 0.0049 0.0092 682 LEU 71 O -0.0086 0.0034 0.0077 683 LEU 71 CB -0.0105 0.0058 0.0130 684 LEU 71 CG -0.0112 0.0075 0.0145 685 LEU 71 CD1 -0.0118 0.0061 0.0169 686 LEU 71 CD2 -0.0108 0.0083 0.0130 687 LEU 71 H -0.0108 0.0098 0.0124 688 LEU 71 HA -0.0095 0.0071 0.0093 689 LEU 71 HB2 -0.0109 0.0054 0.0141 690 LEU 71 HB3 -0.0102 0.0039 0.0127 691 LEU 71 HG -0.0116 0.0092 0.0150 692 LEU 71 HD11 -0.0115 0.0043 0.0165 693 LEU 71 HD12 -0.0121 0.0056 0.0180 694 LEU 71 HD13 -0.0123 0.0073 0.0180 695 LEU 71 HD21 -0.0104 0.0094 0.0113 696 LEU 71 HD22 -0.0104 0.0065 0.0124 697 LEU 71 HD23 -0.0113 0.0094 0.0141 698 LYS 72 N -0.0157 0.0031 0.0117 699 LYS 72 CA -0.0062 0.0119 0.0086 700 LYS 72 C 0.0042 0.0150 0.0094 701 LYS 72 O 0.0155 0.0167 0.0114 702 LYS 72 CB -0.0126 0.0220 0.0002 703 LYS 72 CG -0.0035 0.0317 -0.0037 704 LYS 72 CD -0.0107 0.0410 -0.0118 705 LYS 72 CE -0.0018 0.0507 -0.0156 706 LYS 72 NZ -0.0087 0.0597 -0.0234 707 LYS 72 H -0.0245 0.0045 0.0083 708 LYS 72 HA -0.0020 0.0090 0.0116 709 LYS 72 HB2 -0.0200 0.0196 -0.0003 710 LYS 72 HB3 -0.0169 0.0248 -0.0028 711 LYS 72 HG2 0.0033 0.0347 -0.0037 712 LYS 72 HG3 0.0013 0.0290 -0.0006 713 LYS 72 HD2 -0.0177 0.0380 -0.0117 714 LYS 72 HD3 -0.0154 0.0438 -0.0149 715 LYS 72 HE2 0.0050 0.0539 -0.0158 716 LYS 72 HE3 0.0032 0.0478 -0.0123 717 LYS 72 HZ1 -0.0136 0.0627 -0.0268 718 LYS 72 HZ2 -0.0152 0.0568 -0.0234 719 LYS 72 HZ3 -0.0024 0.0662 -0.0259 720 GLN 73 N -0.0072 0.0092 0.0057 721 GLN 73 CA -0.0062 0.0091 0.0072 722 GLN 73 C -0.0062 0.0091 0.0040 723 GLN 73 O -0.0075 0.0092 0.0046 724 GLN 73 CB -0.0022 0.0089 0.0090 725 GLN 73 CG -0.0019 0.0089 0.0123 726 GLN 73 CD 0.0021 0.0087 0.0139 727 GLN 73 OE1 0.0050 0.0085 0.0119 728 GLN 73 NE2 0.0024 0.0087 0.0176 729 GLN 73 H -0.0053 0.0091 0.0056 730 GLN 73 HA -0.0082 0.0093 0.0093 731 GLN 73 HB2 -0.0002 0.0087 0.0068 732 GLN 73 HB3 -0.0015 0.0089 0.0100 733 GLN 73 HG2 -0.0038 0.0090 0.0146 734 GLN 73 HG3 -0.0027 0.0089 0.0114 735 GLN 73 HE21 0.0001 0.0088 0.0190 736 GLN 73 HE22 0.0050 0.0085 0.0188 737 LEU 74 N 0.0028 0.0089 -0.0106 738 LEU 74 CA 0.0065 0.0041 -0.0165 739 LEU 74 C 0.0076 -0.0097 -0.0171 740 LEU 74 O 0.0116 -0.0151 -0.0233 741 LEU 74 CB 0.0036 0.0082 -0.0119 742 LEU 74 CG 0.0072 0.0052 -0.0177 743 LEU 74 CD1 0.0134 0.0105 -0.0286 744 LEU 74 CD2 0.0036 0.0097 -0.0120 745 LEU 74 H -0.0016 0.0113 -0.0035 746 LEU 74 HA 0.0109 0.0078 -0.0242 747 LEU 74 HB2 0.0024 0.0177 -0.0107 748 LEU 74 HB3 -0.0006 0.0037 -0.0045 749 LEU 74 HG 0.0080 -0.0044 -0.0183 750 LEU 74 HD11 0.0158 0.0084 -0.0325 751 LEU 74 HD12 0.0128 0.0201 -0.0283 752 LEU 74 HD13 0.0161 0.0068 -0.0328 753 LEU 74 HD21 0.0027 0.0193 -0.0113 754 LEU 74 HD22 0.0062 0.0075 -0.0162 755 LEU 74 HD23 -0.0008 0.0056 -0.0044 756 SER 75 N 0.0165 -0.0014 -0.0128 757 SER 75 CA 0.0269 -0.0152 -0.0081 758 SER 75 C 0.0177 -0.0362 0.0059 759 SER 75 O 0.0281 -0.0518 0.0115 760 SER 75 CB 0.0534 -0.0174 -0.0142 761 SER 75 OG 0.0639 -0.0296 -0.0105 762 SER 75 H 0.0046 0.0096 -0.0155 763 SER 75 HA 0.0215 -0.0081 -0.0105 764 SER 75 HB2 0.0587 -0.0023 -0.0240 765 SER 75 HB3 0.0587 -0.0244 -0.0119 766 SER 75 HG 0.0759 -0.0226 -0.0176 767 VAL 76 N 0.0028 -0.0195 -0.0006 768 VAL 76 CA -0.0009 -0.0254 0.0046 769 VAL 76 C -0.0046 -0.0329 0.0102 770 VAL 76 O -0.0033 -0.0422 0.0106 771 VAL 76 CB -0.0063 -0.0185 0.0091 772 VAL 76 CG1 -0.0102 -0.0247 0.0147 773 VAL 76 CG2 -0.0027 -0.0111 0.0037 774 VAL 76 H 0.0015 -0.0121 -0.0006 775 VAL 76 HA 0.0030 -0.0297 0.0013 776 VAL 76 HB -0.0099 -0.0142 0.0123 777 VAL 76 HG11 -0.0139 -0.0197 0.0177 778 VAL 76 HG12 -0.0065 -0.0292 0.0116 779 VAL 76 HG13 -0.0130 -0.0297 0.0187 780 VAL 76 HG21 -0.0065 -0.0062 0.0069 781 VAL 76 HG22 -0.0001 -0.0065 -0.0000 782 VAL 76 HG23 0.0011 -0.0152 0.0004 783 GLU 77 N -0.0140 -0.0122 0.0029 784 GLU 77 CA -0.0167 -0.0148 0.0052 785 GLU 77 C -0.0178 -0.0141 0.0079 786 GLU 77 O -0.0180 -0.0116 0.0107 787 GLU 77 CB -0.0179 -0.0149 0.0074 788 GLU 77 CG -0.0171 -0.0111 0.0095 789 GLU 77 CD -0.0184 -0.0114 0.0117 790 GLU 77 OE1 -0.0178 -0.0120 0.0101 791 GLU 77 OE2 -0.0201 -0.0110 0.0152 792 GLU 77 H -0.0133 -0.0096 0.0040 793 GLU 77 HA -0.0171 -0.0176 0.0034 794 GLU 77 HB2 -0.0199 -0.0166 0.0094 795 GLU 77 HB3 -0.0175 -0.0162 0.0054 796 GLU 77 HG2 -0.0151 -0.0094 0.0076 797 GLU 77 HG3 -0.0174 -0.0098 0.0114 798 PRO 78 N -0.0147 -0.0180 0.0026 799 PRO 78 CA -0.0163 -0.0080 0.0010 800 PRO 78 C -0.0280 -0.0104 0.0050 801 PRO 78 O -0.0292 -0.0210 0.0076 802 PRO 78 CB -0.0045 -0.0099 -0.0021 803 PRO 78 CG 0.0046 -0.0179 -0.0032 804 PRO 78 CD -0.0032 -0.0261 0.0009 805 PRO 78 HA -0.0171 0.0015 -0.0007 806 PRO 78 HB2 -0.0068 -0.0148 -0.0004 807 PRO 78 HB3 -0.0009 -0.0007 -0.0051 808 PRO 78 HG2 0.0107 -0.0238 -0.0038 809 PRO 78 HG3 0.0100 -0.0118 -0.0061 810 PRO 78 HD2 -0.0053 -0.0348 0.0033 811 PRO 78 HD3 0.0015 -0.0283 -0.0001 812 TYR 79 N -0.0339 0.0006 -0.0018 813 TYR 79 CA -0.0273 -0.0002 0.0009 814 TYR 79 C -0.0301 0.0044 0.0101 815 TYR 79 O -0.0267 0.0068 0.0182 816 TYR 79 CB -0.0161 -0.0032 0.0016 817 TYR 79 CG -0.0128 -0.0081 -0.0079 818 TYR 79 CD1 -0.0133 -0.0090 -0.0106 819 TYR 79 CD2 -0.0093 -0.0117 -0.0143 820 TYR 79 CE1 -0.0105 -0.0135 -0.0193 821 TYR 79 CE2 -0.0064 -0.0162 -0.0230 822 TYR 79 CZ -0.0070 -0.0170 -0.0255 823 TYR 79 OH -0.0042 -0.0215 -0.0343 824 TYR 79 H -0.0387 -0.0004 -0.0076 825 TYR 79 HA -0.0289 -0.0021 -0.0048 826 TYR 79 HB2 -0.0145 -0.0015 0.0068 827 TYR 79 HB3 -0.0117 -0.0035 0.0039 828 TYR 79 HD1 -0.0160 -0.0062 -0.0057 829 TYR 79 HD2 -0.0088 -0.0111 -0.0123 830 TYR 79 HE1 -0.0109 -0.0141 -0.0212 831 TYR 79 HE2 -0.0037 -0.0190 -0.0278 832 TYR 79 HH -0.0074 -0.0225 -0.0389 833 SER 80 N -0.0262 0.0039 0.0049 834 SER 80 CA -0.0251 0.0054 0.0050 835 SER 80 C -0.0218 0.0051 0.0042 836 SER 80 O -0.0203 0.0040 0.0037 837 SER 80 CB -0.0269 0.0042 0.0051 838 SER 80 OG -0.0262 0.0058 0.0053 839 SER 80 H -0.0264 0.0017 0.0045 840 SER 80 HA -0.0256 0.0077 0.0055 841 SER 80 HB2 -0.0292 0.0044 0.0056 842 SER 80 HB3 -0.0264 0.0019 0.0045 843 SER 80 HG -0.0273 0.0076 0.0058 844 GLN 81 N -0.0026 0.0026 -0.0012 845 GLN 81 CA -0.0043 0.0027 -0.0001 846 GLN 81 C -0.0048 0.0047 0.0004 847 GLN 81 O -0.0038 0.0061 -0.0002 848 GLN 81 CB -0.0049 0.0024 0.0003 849 GLN 81 CG -0.0067 0.0022 0.0015 850 GLN 81 CD -0.0074 0.0020 0.0019 851 GLN 81 OE1 -0.0067 0.0028 0.0015 852 GLN 81 NE2 -0.0087 0.0010 0.0027 853 GLN 81 H -0.0019 0.0026 -0.0016 854 GLN 81 HA -0.0048 0.0016 0.0002 855 GLN 81 HB2 -0.0044 0.0011 -0.0001 856 GLN 81 HB3 -0.0045 0.0036 0.0001 857 GLN 81 HG2 -0.0072 0.0034 0.0019 858 GLN 81 HG3 -0.0071 0.0009 0.0017 859 GLN 81 HE21 -0.0092 0.0004 0.0030 860 GLN 81 HE22 -0.0092 0.0009 0.0030 861 GLU 82 N -0.0050 0.0064 -0.0093 862 GLU 82 CA -0.0066 0.0100 -0.0101 863 GLU 82 C -0.0025 0.0071 -0.0156 864 GLU 82 O -0.0029 0.0092 -0.0170 865 GLU 82 CB -0.0103 0.0182 -0.0118 866 GLU 82 CG -0.0123 0.0225 -0.0126 867 GLU 82 CD -0.0160 0.0303 -0.0139 868 GLU 82 OE1 -0.0148 0.0335 -0.0201 869 GLU 82 OE2 -0.0201 0.0335 -0.0087 870 GLU 82 H -0.0049 0.0025 -0.0049 871 GLU 82 HA -0.0081 0.0084 -0.0048 872 GLU 82 HB2 -0.0131 0.0198 -0.0075 873 GLU 82 HB3 -0.0087 0.0197 -0.0169 874 GLU 82 HG2 -0.0096 0.0213 -0.0171 875 GLU 82 HG3 -0.0138 0.0210 -0.0076 876 GLU 83 N -0.0017 0.0022 -0.0164 877 GLU 83 CA 0.0036 0.0013 -0.0206 878 GLU 83 C 0.0140 0.0071 -0.0149 879 GLU 83 O 0.0238 0.0070 -0.0197 880 GLU 83 CB -0.0054 -0.0007 -0.0200 881 GLU 83 CG -0.0008 -0.0018 -0.0242 882 GLU 83 CD -0.0102 -0.0044 -0.0244 883 GLU 83 OE1 -0.0144 -0.0010 -0.0162 884 GLU 83 OE2 -0.0137 -0.0099 -0.0330 885 GLU 83 H -0.0038 0.0057 -0.0088 886 GLU 83 HA 0.0067 -0.0023 -0.0288 887 GLU 83 HB2 -0.0123 -0.0049 -0.0244 888 GLU 83 HB3 -0.0089 0.0028 -0.0118 889 GLU 83 HG2 0.0054 0.0025 -0.0192 890 GLU 83 HG3 0.0035 -0.0049 -0.0321 891 ALA 84 N 0.0219 -0.0010 -0.0151 892 ALA 84 CA 0.0422 0.0009 -0.0009 893 ALA 84 C 0.0418 0.0024 0.0155 894 ALA 84 O 0.0533 0.0044 0.0329 895 ALA 84 CB 0.0438 0.0021 0.0111 896 ALA 84 H 0.0078 -0.0009 -0.0089 897 ALA 84 HA 0.0564 0.0003 -0.0119 898 ALA 84 HB1 0.0586 0.0035 0.0216 899 ALA 84 HB2 0.0290 0.0026 0.0213 900 ALA 84 HB3 0.0455 0.0010 -0.0012 901 GLU 85 N 0.0170 -0.0048 0.0023 902 GLU 85 CA 0.0064 -0.0096 0.0091 903 GLU 85 C -0.0058 -0.0016 0.0031 904 GLU 85 O -0.0128 0.0009 0.0018 905 GLU 85 CB 0.0035 -0.0178 0.0181 906 GLU 85 CG -0.0057 -0.0246 0.0268 907 GLU 85 CD -0.0208 -0.0205 0.0254 908 GLU 85 OE1 -0.0285 -0.0211 0.0273 909 GLU 85 OE2 -0.0252 -0.0168 0.0223 910 GLU 85 H 0.0144 0.0019 -0.0042 911 GLU 85 HA 0.0092 -0.0124 0.0115 912 GLU 85 HB2 0.0132 -0.0220 0.0207 913 GLU 85 HB3 -0.0013 -0.0145 0.0155 914 GLU 85 HG2 -0.0016 -0.0253 0.0268 915 GLU 85 HG3 -0.0041 -0.0314 0.0336 916 ARG 86 N -0.0025 -0.0008 -0.0019 917 ARG 86 CA -0.0060 -0.0000 -0.0063 918 ARG 86 C -0.0089 -0.0002 -0.0089 919 ARG 86 O -0.0072 0.0007 -0.0085 920 ARG 86 CB -0.0038 0.0037 -0.0095 921 ARG 86 CG 0.0010 0.0071 -0.0098 922 ARG 86 CD 0.0007 0.0085 -0.0121 923 ARG 86 NE 0.0054 0.0115 -0.0119 924 ARG 86 CZ 0.0065 0.0128 -0.0127 925 ARG 86 NH1 0.0032 0.0116 -0.0141 926 ARG 86 NH2 0.0110 0.0154 -0.0122 927 ARG 86 H -0.0001 0.0007 -0.0018 928 ARG 86 HA -0.0085 -0.0023 -0.0055 929 ARG 86 HB2 -0.0063 0.0045 -0.0130 930 ARG 86 HB3 -0.0033 0.0031 -0.0082 931 ARG 86 HG2 0.0023 0.0094 -0.0119 932 ARG 86 HG3 0.0035 0.0063 -0.0063 933 ARG 86 HD2 -0.0009 0.0062 -0.0103 934 ARG 86 HD3 -0.0015 0.0096 -0.0157 935 ARG 86 HE 0.0080 0.0126 -0.0110 936 ARG 86 HH11 -0.0003 0.0096 -0.0145 937 ARG 86 HH12 0.0039 0.0125 -0.0147 938 ARG 86 HH21 0.0136 0.0165 -0.0112 939 ARG 86 HH22 0.0120 0.0165 -0.0127 940 ALA 87 N -0.0061 -0.0039 -0.0007 941 ALA 87 CA -0.0049 -0.0029 0.0117 942 ALA 87 C 0.0051 -0.0099 -0.0294 943 ALA 87 O -0.0116 -0.0063 -0.0370 944 ALA 87 CB -0.0486 0.0104 0.0291 945 ALA 87 H -0.0318 0.0011 -0.0170 946 ALA 87 HA 0.0196 -0.0067 0.0371 947 ALA 87 HB1 -0.0732 0.0142 0.0039 948 ALA 87 HB2 -0.0553 0.0153 0.0582 949 ALA 87 HB3 -0.0482 0.0112 0.0374 950 ALA 88 N 0.0698 -0.0262 -0.0538 951 ALA 88 CA 0.0613 -0.0427 -0.0087 952 ALA 88 C 0.0079 0.0016 -0.0126 953 ALA 88 O -0.0420 0.0213 0.0260 954 ALA 88 CB 0.0551 -0.0745 0.0624 955 ALA 88 H 0.0355 0.0009 -0.0534 956 ALA 88 HA 0.0998 -0.0649 -0.0247 957 ALA 88 HB1 0.0163 -0.0525 0.0792 958 ALA 88 HB2 0.0939 -0.1059 0.0636 959 ALA 88 HB3 0.0501 -0.0872 0.0947 960 GLY 89 N -0.0476 0.0292 -0.0619 961 GLY 89 CA -0.0675 0.0420 -0.0650 962 GLY 89 C -0.0632 0.0428 -0.0804 963 GLY 89 O -0.0511 0.0340 -0.0734 964 GLY 89 H -0.0342 0.0236 -0.0729 965 GLY 89 HA2 -0.0756 0.0428 -0.0469 966 GLY 89 HA3 -0.0779 0.0504 -0.0743 967 MET 90 N 0.0084 -0.0142 0.0478 968 MET 90 CA 0.0102 -0.0125 0.0364 969 MET 90 C 0.0110 -0.0083 0.0313 970 MET 90 O 0.0114 -0.0144 0.0283 971 MET 90 CB 0.0111 -0.0228 0.0308 972 MET 90 CG 0.0128 -0.0214 0.0193 973 MET 90 SD 0.0143 -0.0170 0.0097 974 MET 90 CE 0.0161 -0.0175 -0.0023 975 MET 90 H 0.0077 -0.0099 0.0527 976 MET 90 HA 0.0103 -0.0062 0.0357 977 MET 90 HB2 0.0103 -0.0260 0.0354 978 MET 90 HB3 0.0111 -0.0286 0.0307 979 MET 90 HG2 0.0128 -0.0156 0.0193 980 MET 90 HG3 0.0132 -0.0290 0.0167 981 MET 90 HE1 0.0160 -0.0122 -0.0017 982 MET 90 HE2 0.0171 -0.0151 -0.0089 983 MET 90 HE3 0.0163 -0.0256 -0.0036 984 GLY 91 N -0.0018 -0.0148 0.0452 985 GLY 91 CA 0.0066 0.0036 0.0206 986 GLY 91 C 0.0110 0.0100 0.0148 987 GLY 91 O 0.0311 0.0257 0.0177 988 GLY 91 H 0.0081 -0.0147 0.0630 989 GLY 91 HA2 -0.0065 0.0008 0.0029 990 GLY 91 HA3 0.0229 0.0159 0.0240 991 SER 92 N -0.0009 0.0361 -0.0228 992 SER 92 CA -0.0078 0.0319 -0.0220 993 SER 92 C -0.0244 0.0413 -0.0369 994 SER 92 O -0.0412 0.0388 -0.0417 995 SER 92 CB -0.0161 0.0125 -0.0088 996 SER 92 OG -0.0002 0.0042 0.0050 997 SER 92 H -0.0110 0.0328 -0.0240 998 SER 92 HA 0.0055 0.0359 -0.0200 999 SER 92 HB2 -0.0295 0.0084 -0.0107 1000 SER 92 HB3 -0.0207 0.0093 -0.0078 1001 SER 92 HG 0.0107 0.0129 0.0020 1002 TYR 93 N -0.0036 -0.0028 0.0154 1003 TYR 93 CA -0.0025 -0.0034 0.0146 1004 TYR 93 C 0.0015 -0.0045 0.0206 1005 TYR 93 O 0.0044 -0.0054 0.0240 1006 TYR 93 CB 0.0005 -0.0061 0.0081 1007 TYR 93 CG 0.0011 -0.0067 0.0061 1008 TYR 93 CD1 -0.0034 -0.0050 0.0023 1009 TYR 93 CD2 0.0062 -0.0090 0.0080 1010 TYR 93 CE1 -0.0030 -0.0055 0.0004 1011 TYR 93 CE2 0.0067 -0.0096 0.0062 1012 TYR 93 CZ 0.0021 -0.0078 0.0024 1013 TYR 93 OH 0.0026 -0.0084 0.0006 1014 TYR 93 H -0.0001 -0.0046 0.0151 1015 TYR 93 HA -0.0068 -0.0013 0.0145 1016 TYR 93 HB2 -0.0020 -0.0054 0.0041 1017 TYR 93 HB3 0.0050 -0.0083 0.0086 1018 TYR 93 HD1 -0.0074 -0.0032 0.0007 1019 TYR 93 HD2 0.0098 -0.0104 0.0110 1020 TYR 93 HE1 -0.0066 -0.0042 -0.0025 1021 TYR 93 HE2 0.0107 -0.0114 0.0077 1022 TYR 93 HH 0.0038 -0.0083 0.0046 1023 VAL 94 N 0.0094 -0.0005 -0.0215 1024 VAL 94 CA 0.0047 -0.0083 -0.0143 1025 VAL 94 C 0.0077 -0.0164 -0.0152 1026 VAL 94 O 0.0075 -0.0135 -0.0158 1027 VAL 94 CB -0.0039 -0.0032 -0.0066 1028 VAL 94 CG1 -0.0052 0.0042 -0.0072 1029 VAL 94 CG2 -0.0086 -0.0118 0.0009 1030 VAL 94 H 0.0072 0.0070 -0.0212 1031 VAL 94 HA 0.0053 -0.0128 -0.0137 1032 VAL 94 HB -0.0057 0.0014 -0.0059 1033 VAL 94 HG11 -0.0111 0.0075 -0.0018 1034 VAL 94 HG12 -0.0032 -0.0001 -0.0081 1035 VAL 94 HG13 -0.0022 0.0105 -0.0122 1036 VAL 94 HG21 -0.0067 -0.0168 0.0003 1037 VAL 94 HG22 -0.0144 -0.0081 0.0061 1038 VAL 94 HG23 -0.0080 -0.0165 0.0016