1 ASP 28 N -0.0222 0.0207 -0.0532 2 ASP 28 CA -0.0253 0.0286 -0.0344 3 ASP 28 C -0.0096 0.0160 -0.0210 4 ASP 28 O 0.0007 0.0031 -0.0304 5 ASP 28 CB -0.0359 0.0374 -0.0423 6 ASP 28 CG -0.0397 0.0460 -0.0238 7 ASP 28 OD1 -0.0482 0.0578 -0.0111 8 ASP 28 OD2 -0.0351 0.0416 -0.0224 9 ASP 28 H -0.0328 0.0291 -0.0629 10 ASP 28 HA -0.0314 0.0373 -0.0244 11 ASP 28 HB2 -0.0470 0.0463 -0.0518 12 ASP 28 HB3 -0.0298 0.0286 -0.0528 13 PRO 29 N -0.0103 -0.0052 0.0361 14 PRO 29 CA 0.0084 -0.0123 0.0469 15 PRO 29 C -0.0037 -0.0012 0.0208 16 PRO 29 O -0.0395 0.0077 0.0138 17 PRO 29 CB -0.0082 -0.0235 0.0887 18 PRO 29 CG -0.0245 -0.0255 0.1030 19 PRO 29 CD -0.0372 -0.0112 0.0680 20 PRO 29 HA 0.0408 -0.0179 0.0461 21 PRO 29 HB2 -0.0312 -0.0191 0.0879 22 PRO 29 HB3 0.0159 -0.0338 0.1058 23 PRO 29 HG2 -0.0501 -0.0277 0.1233 24 PRO 29 HG3 -0.0011 -0.0345 0.1170 25 PRO 29 HD2 -0.0686 -0.0039 0.0632 26 PRO 29 HD3 -0.0322 -0.0135 0.0720 27 ASN 30 N 0.0014 0.0248 -0.0090 28 ASN 30 CA 0.0041 0.0249 -0.0269 29 ASN 30 C -0.0020 0.0129 -0.0311 30 ASN 30 O -0.0081 0.0003 -0.0386 31 ASN 30 CB 0.0051 0.0233 -0.0397 32 ASN 30 CG 0.0077 0.0229 -0.0591 33 ASN 30 OD1 0.0155 0.0348 -0.0665 34 ASN 30 ND2 0.0013 0.0095 -0.0674 35 ASN 30 H 0.0059 0.0345 -0.0020 36 ASN 30 HA 0.0106 0.0361 -0.0280 37 ASN 30 HB2 0.0101 0.0329 -0.0368 38 ASN 30 HB3 -0.0013 0.0128 -0.0366 39 ASN 30 HD21 -0.0049 0.0003 -0.0608 40 ASN 30 HD22 0.0028 0.0091 -0.0798 41 ALA 31 N -0.0045 0.0065 -0.0310 42 ALA 31 CA -0.0069 0.0001 -0.0314 43 ALA 31 C -0.0098 -0.0017 -0.0304 44 ALA 31 O -0.0149 -0.0009 -0.0279 45 ALA 31 CB -0.0111 -0.0012 -0.0298 46 ALA 31 H -0.0058 0.0092 -0.0299 47 ALA 31 HA -0.0033 -0.0027 -0.0337 48 ALA 31 HB1 -0.0125 -0.0061 -0.0302 49 ALA 31 HB2 -0.0147 0.0015 -0.0275 50 ALA 31 HB3 -0.0089 0.0000 -0.0305 51 GLU 32 N -0.0113 -0.0054 -0.0262 52 GLU 32 CA -0.0161 -0.0061 -0.0211 53 GLU 32 C -0.0131 -0.0097 -0.0155 54 GLU 32 O -0.0162 -0.0108 -0.0108 55 GLU 32 CB -0.0195 -0.0052 -0.0205 56 GLU 32 CG -0.0156 -0.0070 -0.0195 57 GLU 32 CD -0.0193 -0.0061 -0.0187 58 GLU 32 OE1 -0.0218 -0.0076 -0.0135 59 GLU 32 OE2 -0.0200 -0.0038 -0.0232 60 GLU 32 H -0.0098 -0.0053 -0.0276 61 GLU 32 HA -0.0192 -0.0046 -0.0220 62 GLU 32 HB2 -0.0231 -0.0057 -0.0167 63 GLU 32 HB3 -0.0216 -0.0026 -0.0246 64 GLU 32 HG2 -0.0120 -0.0065 -0.0234 65 GLU 32 HG3 -0.0134 -0.0096 -0.0156 66 PHE 33 N -0.0112 -0.0107 -0.0134 67 PHE 33 CA -0.0080 -0.0148 -0.0095 68 PHE 33 C -0.0049 -0.0168 -0.0097 69 PHE 33 O -0.0049 -0.0152 -0.0134 70 PHE 33 CB -0.0044 -0.0166 -0.0112 71 PHE 33 CG -0.0014 -0.0159 -0.0173 72 PHE 33 CD1 0.0030 -0.0183 -0.0190 73 PHE 33 CD2 -0.0032 -0.0128 -0.0213 74 PHE 33 CE1 0.0057 -0.0176 -0.0245 75 PHE 33 CE2 -0.0005 -0.0121 -0.0269 76 PHE 33 CZ 0.0039 -0.0145 -0.0285 77 PHE 33 H -0.0098 -0.0099 -0.0174 78 PHE 33 HA -0.0103 -0.0150 -0.0053 79 PHE 33 HB2 -0.0016 -0.0197 -0.0086 80 PHE 33 HB3 -0.0065 -0.0154 -0.0104 81 PHE 33 HD1 0.0045 -0.0207 -0.0158 82 PHE 33 HD2 -0.0066 -0.0109 -0.0201 83 PHE 33 HE1 0.0091 -0.0195 -0.0258 84 PHE 33 HE2 -0.0019 -0.0097 -0.0300 85 PHE 33 HZ 0.0059 -0.0139 -0.0329 86 ASP 34 N 0.0002 -0.0189 -0.0058 87 ASP 34 CA 0.0051 -0.0203 -0.0068 88 ASP 34 C 0.0061 -0.0203 -0.0067 89 ASP 34 O 0.0046 -0.0180 -0.0040 90 ASP 34 CB 0.0088 -0.0185 -0.0039 91 ASP 34 CG 0.0139 -0.0200 -0.0051 92 ASP 34 OD1 0.0162 -0.0199 -0.0046 93 ASP 34 OD2 0.0158 -0.0214 -0.0066 94 ASP 34 H -0.0005 -0.0167 -0.0030 95 ASP 34 HA 0.0055 -0.0226 -0.0097 96 ASP 34 HB2 0.0078 -0.0182 -0.0037 97 ASP 34 HB3 0.0086 -0.0162 -0.0011 98 PRO 35 N 0.0041 -0.0255 -0.0099 99 PRO 35 CA 0.0049 -0.0272 -0.0114 100 PRO 35 C 0.0092 -0.0278 -0.0087 101 PRO 35 O 0.0102 -0.0293 -0.0098 102 PRO 35 CB 0.0052 -0.0308 -0.0157 103 PRO 35 CG 0.0074 -0.0318 -0.0150 104 PRO 35 CD 0.0057 -0.0282 -0.0120 105 PRO 35 HA 0.0021 -0.0257 -0.0118 106 PRO 35 HB2 0.0072 -0.0328 -0.0165 107 PRO 35 HB3 0.0018 -0.0305 -0.0180 108 PRO 35 HG2 0.0110 -0.0331 -0.0137 109 PRO 35 HG3 0.0065 -0.0335 -0.0180 110 PRO 35 HD2 0.0084 -0.0281 -0.0098 111 PRO 35 HD3 0.0030 -0.0277 -0.0136 112 ASP 36 N 0.0143 -0.0208 -0.0056 113 ASP 36 CA 0.0196 -0.0160 -0.0042 114 ASP 36 C 0.0185 -0.0094 -0.0002 115 ASP 36 O 0.0197 -0.0046 0.0022 116 ASP 36 CB 0.0272 -0.0175 -0.0067 117 ASP 36 CG 0.0330 -0.0126 -0.0052 118 ASP 36 OD1 0.0341 -0.0126 -0.0054 119 ASP 36 OD2 0.0365 -0.0086 -0.0038 120 ASP 36 H 0.0150 -0.0221 -0.0066 121 ASP 36 HA 0.0187 -0.0162 -0.0041 122 ASP 36 HB2 0.0279 -0.0222 -0.0094 123 ASP 36 HB3 0.0279 -0.0177 -0.0070 124 LEU 37 N 0.0139 -0.0061 0.0020 125 LEU 37 CA 0.0132 -0.0027 0.0048 126 LEU 37 C 0.0083 -0.0018 0.0080 127 LEU 37 O 0.0047 -0.0050 0.0078 128 LEU 37 CB 0.0138 -0.0038 0.0036 129 LEU 37 CG 0.0190 -0.0033 0.0012 130 LEU 37 CD1 0.0221 0.0014 0.0028 131 LEU 37 CD2 0.0213 -0.0067 -0.0024 132 LEU 37 H 0.0129 -0.0092 0.0004 133 LEU 37 HA 0.0159 0.0003 0.0054 134 LEU 37 HB2 0.0118 -0.0072 0.0024 135 LEU 37 HB3 0.0123 -0.0017 0.0059 136 LEU 37 HG 0.0188 -0.0040 0.0008 137 LEU 37 HD11 0.0257 0.0016 0.0010 138 LEU 37 HD12 0.0223 0.0022 0.0032 139 LEU 37 HD13 0.0206 0.0037 0.0052 140 LEU 37 HD21 0.0248 -0.0062 -0.0040 141 LEU 37 HD22 0.0191 -0.0100 -0.0036 142 LEU 37 HD23 0.0214 -0.0061 -0.0021 143 PRO 38 N 0.0067 0.0061 0.0134 144 PRO 38 CA 0.0022 0.0072 0.0180 145 PRO 38 C 0.0002 0.0033 0.0186 146 PRO 38 O 0.0025 0.0030 0.0163 147 PRO 38 CB 0.0031 0.0138 0.0193 148 PRO 38 CG 0.0076 0.0165 0.0160 149 PRO 38 CD 0.0103 0.0117 0.0119 150 PRO 38 HA -0.0001 0.0063 0.0199 151 PRO 38 HB2 0.0033 0.0142 0.0192 152 PRO 38 HB3 0.0004 0.0158 0.0225 153 PRO 38 HG2 0.0093 0.0202 0.0156 154 PRO 38 HG3 0.0070 0.0178 0.0170 155 PRO 38 HD2 0.0123 0.0118 0.0101 156 PRO 38 HD3 0.0124 0.0121 0.0100 157 GLY 39 N -0.0001 0.0009 0.0220 158 GLY 39 CA -0.0017 -0.0024 0.0227 159 GLY 39 C -0.0006 -0.0066 0.0199 160 GLY 39 O -0.0008 -0.0092 0.0192 161 GLY 39 H -0.0011 0.0013 0.0234 162 GLY 39 HA2 -0.0042 -0.0032 0.0253 163 GLY 39 HA3 -0.0012 -0.0010 0.0227 164 GLY 40 N 0.0001 -0.0097 0.0102 165 GLY 40 CA 0.0002 -0.0127 0.0065 166 GLY 40 C 0.0025 -0.0122 0.0059 167 GLY 40 O 0.0024 -0.0145 0.0031 168 GLY 40 H 0.0020 -0.0087 0.0102 169 GLY 40 HA2 0.0019 -0.0138 0.0043 170 GLY 40 HA3 -0.0033 -0.0144 0.0064 171 GLY 41 N 0.0036 -0.0063 0.0092 172 GLY 41 CA 0.0060 -0.0054 0.0081 173 GLY 41 C 0.0040 -0.0065 0.0088 174 GLY 41 O 0.0056 -0.0064 0.0077 175 GLY 41 H 0.0030 -0.0043 0.0109 176 GLY 41 HA2 0.0075 -0.0025 0.0091 177 GLY 41 HA3 0.0080 -0.0069 0.0058 178 LEU 42 N 0.0010 -0.0080 0.0102 179 LEU 42 CA -0.0029 -0.0090 0.0111 180 LEU 42 C -0.0040 -0.0073 0.0154 181 LEU 42 O -0.0069 -0.0078 0.0166 182 LEU 42 CB -0.0060 -0.0108 0.0100 183 LEU 42 CG -0.0055 -0.0127 0.0058 184 LEU 42 CD1 -0.0087 -0.0143 0.0052 185 LEU 42 CD2 -0.0054 -0.0141 0.0031 186 LEU 42 H 0.0011 -0.0078 0.0105 187 LEU 42 HA -0.0030 -0.0099 0.0095 188 LEU 42 HB2 -0.0060 -0.0099 0.0118 189 LEU 42 HB3 -0.0089 -0.0115 0.0108 190 LEU 42 HG -0.0026 -0.0120 0.0051 191 LEU 42 HD11 -0.0083 -0.0157 0.0022 192 LEU 42 HD12 -0.0117 -0.0150 0.0060 193 LEU 42 HD13 -0.0086 -0.0134 0.0069 194 LEU 42 HD21 -0.0082 -0.0148 0.0039 195 LEU 42 HD22 -0.0051 -0.0154 0.0002 196 LEU 42 HD23 -0.0029 -0.0130 0.0035 197 HIS 43 N 0.0053 -0.0061 0.0178 198 HIS 43 CA 0.0050 -0.0046 0.0172 199 HIS 43 C 0.0052 -0.0010 0.0138 200 HIS 43 O 0.0035 0.0025 0.0144 201 HIS 43 CB 0.0027 -0.0032 0.0210 202 HIS 43 CG 0.0022 -0.0064 0.0248 203 HIS 43 ND1 0.0030 -0.0095 0.0258 204 HIS 43 CD2 0.0009 -0.0070 0.0280 205 HIS 43 CE1 0.0023 -0.0118 0.0293 206 HIS 43 NE2 0.0010 -0.0104 0.0307 207 HIS 43 H 0.0044 -0.0041 0.0182 208 HIS 43 HA 0.0065 -0.0070 0.0162 209 HIS 43 HB2 0.0013 -0.0003 0.0216 210 HIS 43 HB3 0.0027 -0.0024 0.0204 211 HIS 43 HD1 0.0040 -0.0101 0.0240 212 HIS 43 HD2 0.0000 -0.0051 0.0283 213 HIS 43 HE1 0.0026 -0.0144 0.0308 214 HIS 43 HE2 0.0006 -0.0119 0.0330 215 ARG 44 N 0.0056 0.0012 0.0113 216 ARG 44 CA 0.0069 0.0039 0.0092 217 ARG 44 C 0.0073 0.0048 0.0084 218 ARG 44 O 0.0075 0.0027 0.0086 219 ARG 44 CB 0.0089 0.0027 0.0067 220 ARG 44 CG 0.0088 0.0007 0.0070 221 ARG 44 CD 0.0109 -0.0006 0.0044 222 ARG 44 NE 0.0110 -0.0027 0.0046 223 ARG 44 CZ 0.0127 -0.0038 0.0024 224 ARG 44 NH1 0.0145 -0.0031 -0.0000 225 ARG 44 NH2 0.0127 -0.0056 0.0028 226 ARG 44 H 0.0060 -0.0008 0.0111 227 ARG 44 HA 0.0062 0.0060 0.0098 228 ARG 44 HB2 0.0097 0.0012 0.0058 229 ARG 44 HB3 0.0096 0.0048 0.0054 230 ARG 44 HG2 0.0081 0.0024 0.0077 231 ARG 44 HG3 0.0079 -0.0013 0.0085 232 ARG 44 HD2 0.0116 -0.0020 0.0037 233 ARG 44 HD3 0.0117 0.0015 0.0030 234 ARG 44 HE 0.0097 -0.0032 0.0064 235 ARG 44 HH11 0.0146 -0.0017 -0.0003 236 ARG 44 HH12 0.0158 -0.0039 -0.0016 237 ARG 44 HH21 0.0114 -0.0062 0.0046 238 ARG 44 HH22 0.0139 -0.0065 0.0012 239 CYS 45 N 0.0074 0.0066 0.0050 240 CYS 45 CA 0.0081 0.0066 0.0027 241 CYS 45 C 0.0083 0.0068 0.0012 242 CYS 45 O 0.0070 0.0081 0.0010 243 CYS 45 CB 0.0069 0.0080 0.0018 244 CYS 45 SG 0.0076 0.0082 -0.0014 245 CYS 45 H 0.0061 0.0076 0.0055 246 CYS 45 HA 0.0094 0.0054 0.0027 247 CYS 45 HB2 0.0070 0.0077 0.0027 248 CYS 45 HB3 0.0055 0.0092 0.0021 249 LEU 46 N 0.0075 0.0055 0.0006 250 LEU 46 CA 0.0085 0.0054 -0.0007 251 LEU 46 C 0.0087 0.0069 -0.0019 252 LEU 46 O 0.0091 0.0075 -0.0027 253 LEU 46 CB 0.0094 0.0039 -0.0013 254 LEU 46 CG 0.0093 0.0022 -0.0003 255 LEU 46 CD1 0.0102 0.0008 -0.0009 256 LEU 46 CD2 0.0092 0.0019 -0.0000 257 LEU 46 H 0.0076 0.0048 0.0009 258 LEU 46 HA 0.0084 0.0052 -0.0005 259 LEU 46 HB2 0.0095 0.0040 -0.0015 260 LEU 46 HB3 0.0101 0.0038 -0.0023 261 LEU 46 HG 0.0086 0.0023 0.0007 262 LEU 46 HD11 0.0102 0.0010 -0.0010 263 LEU 46 HD12 0.0101 -0.0004 -0.0002 264 LEU 46 HD13 0.0109 0.0008 -0.0020 265 LEU 46 HD21 0.0085 0.0028 0.0005 266 LEU 46 HD22 0.0099 0.0019 -0.0010 267 LEU 46 HD23 0.0092 0.0007 0.0007 268 ALA 47 N 0.0048 0.0064 -0.0019 269 ALA 47 CA 0.0047 0.0060 -0.0018 270 ALA 47 C 0.0054 0.0067 -0.0017 271 ALA 47 O 0.0052 0.0066 -0.0018 272 ALA 47 CB 0.0049 0.0049 -0.0011 273 ALA 47 H 0.0051 0.0060 -0.0016 274 ALA 47 HA 0.0040 0.0059 -0.0023 275 ALA 47 HB1 0.0047 0.0046 -0.0011 276 ALA 47 HB2 0.0056 0.0049 -0.0007 277 ALA 47 HB3 0.0044 0.0044 -0.0012 278 CYS 48 N 0.0065 0.0104 -0.0045 279 CYS 48 CA 0.0057 0.0122 -0.0040 280 CYS 48 C 0.0055 0.0125 -0.0037 281 CYS 48 O 0.0049 0.0141 -0.0036 282 CYS 48 CB 0.0051 0.0128 -0.0023 283 CYS 48 SG 0.0051 0.0130 -0.0028 284 CYS 48 H 0.0067 0.0092 -0.0036 285 CYS 48 HA 0.0056 0.0132 -0.0053 286 CYS 48 HB2 0.0051 0.0119 -0.0009 287 CYS 48 HB3 0.0045 0.0142 -0.0019 288 ALA 49 N 0.0104 0.0113 -0.0015 289 ALA 49 CA 0.0107 0.0109 -0.0023 290 ALA 49 C 0.0100 0.0120 -0.0002 291 ALA 49 O 0.0102 0.0127 -0.0006 292 ALA 49 CB 0.0119 0.0123 -0.0049 293 ALA 49 H 0.0102 0.0096 -0.0014 294 ALA 49 HA 0.0106 0.0086 -0.0026 295 ALA 49 HB1 0.0120 0.0145 -0.0046 296 ALA 49 HB2 0.0123 0.0114 -0.0064 297 ALA 49 HB3 0.0121 0.0119 -0.0055 298 ARG 50 N 0.0083 0.0129 0.0023 299 ARG 50 CA 0.0058 0.0136 0.0049 300 ARG 50 C 0.0062 0.0113 0.0076 301 ARG 50 O 0.0080 0.0096 0.0073 302 ARG 50 CB 0.0040 0.0159 0.0041 303 ARG 50 CG 0.0032 0.0185 0.0016 304 ARG 50 CD 0.0014 0.0207 0.0010 305 ARG 50 NE 0.0007 0.0232 -0.0015 306 ARG 50 CZ -0.0007 0.0255 -0.0027 307 ARG 50 NH1 -0.0016 0.0255 -0.0014 308 ARG 50 NH2 -0.0012 0.0276 -0.0050 309 ARG 50 H 0.0093 0.0126 0.0012 310 ARG 50 HA 0.0049 0.0141 0.0054 311 ARG 50 HB2 0.0049 0.0154 0.0035 312 ARG 50 HB3 0.0022 0.0163 0.0062 313 ARG 50 HG2 0.0022 0.0191 0.0022 314 ARG 50 HG3 0.0050 0.0182 -0.0005 315 ARG 50 HD2 0.0024 0.0201 0.0004 316 ARG 50 HD3 -0.0004 0.0211 0.0031 317 ARG 50 HE 0.0013 0.0232 -0.0024 318 ARG 50 HH11 -0.0013 0.0240 0.0004 319 ARG 50 HH12 -0.0027 0.0271 -0.0022 320 ARG 50 HH21 -0.0006 0.0276 -0.0060 321 ARG 50 HH22 -0.0022 0.0292 -0.0059 322 TYR 51 N 0.0080 0.0137 0.0105 323 TYR 51 CA 0.0062 0.0105 0.0121 324 TYR 51 C 0.0032 0.0119 0.0151 325 TYR 51 O 0.0026 0.0146 0.0158 326 TYR 51 CB 0.0069 0.0085 0.0113 327 TYR 51 CG 0.0099 0.0072 0.0084 328 TYR 51 CD1 0.0120 0.0098 0.0065 329 TYR 51 CD2 0.0107 0.0036 0.0074 330 TYR 51 CE1 0.0147 0.0087 0.0037 331 TYR 51 CE2 0.0134 0.0025 0.0047 332 TYR 51 CZ 0.0154 0.0050 0.0029 333 TYR 51 OH 0.0182 0.0040 0.0001 334 TYR 51 H 0.0082 0.0153 0.0103 335 TYR 51 HA 0.0064 0.0084 0.0118 336 TYR 51 HB2 0.0065 0.0105 0.0118 337 TYR 51 HB3 0.0055 0.0060 0.0126 338 TYR 51 HD1 0.0114 0.0126 0.0071 339 TYR 51 HD2 0.0091 0.0016 0.0089 340 TYR 51 HE1 0.0163 0.0107 0.0023 341 TYR 51 HE2 0.0140 -0.0004 0.0040 342 TYR 51 HH 0.0189 0.0049 -0.0005 343 PHE 52 N -0.0008 0.0095 0.0183 344 PHE 52 CA -0.0024 0.0102 0.0202 345 PHE 52 C -0.0023 0.0083 0.0245 346 PHE 52 O 0.0001 0.0058 0.0255 347 PHE 52 CB -0.0009 0.0096 0.0181 348 PHE 52 CG -0.0010 0.0114 0.0138 349 PHE 52 CD1 0.0014 0.0105 0.0109 350 PHE 52 CD2 -0.0033 0.0140 0.0126 351 PHE 52 CE1 0.0013 0.0122 0.0069 352 PHE 52 CE2 -0.0034 0.0157 0.0086 353 PHE 52 CZ -0.0010 0.0147 0.0058 354 PHE 52 H 0.0016 0.0075 0.0179 355 PHE 52 HA -0.0049 0.0124 0.0201 356 PHE 52 HB2 0.0016 0.0074 0.0184 357 PHE 52 HB3 -0.0022 0.0102 0.0197 358 PHE 52 HD1 0.0032 0.0085 0.0118 359 PHE 52 HD2 -0.0052 0.0148 0.0149 360 PHE 52 HE1 0.0031 0.0114 0.0047 361 PHE 52 HE2 -0.0052 0.0177 0.0078 362 PHE 52 HZ -0.0011 0.0160 0.0027 363 ILE 53 N -0.0061 0.0119 0.0283 364 ILE 53 CA -0.0081 0.0080 0.0346 365 ILE 53 C -0.0068 0.0019 0.0372 366 ILE 53 O -0.0064 -0.0033 0.0407 367 ILE 53 CB -0.0132 0.0125 0.0395 368 ILE 53 CG1 -0.0152 0.0161 0.0400 369 ILE 53 CG2 -0.0147 0.0177 0.0378 370 ILE 53 CD1 -0.0203 0.0205 0.0448 371 ILE 53 H -0.0081 0.0167 0.0280 372 ILE 53 HA -0.0069 0.0061 0.0341 373 ILE 53 HB -0.0145 0.0092 0.0441 374 ILE 53 HG12 -0.0139 0.0193 0.0353 375 ILE 53 HG13 -0.0142 0.0122 0.0413 376 ILE 53 HG21 -0.0133 0.0209 0.0331 377 ILE 53 HG22 -0.0135 0.0150 0.0379 378 ILE 53 HG23 -0.0183 0.0209 0.0413 379 ILE 53 HD11 -0.0217 0.0173 0.0496 380 ILE 53 HD12 -0.0214 0.0228 0.0448 381 ILE 53 HD13 -0.0214 0.0244 0.0437 382 ASP 54 N -0.0055 0.0036 0.0356 383 ASP 54 CA -0.0023 -0.0007 0.0375 384 ASP 54 C 0.0011 -0.0017 0.0315 385 ASP 54 O -0.0001 0.0019 0.0266 386 ASP 54 CB -0.0052 0.0003 0.0421 387 ASP 54 CG -0.0021 -0.0042 0.0447 388 ASP 54 OD1 -0.0009 -0.0077 0.0493 389 ASP 54 OD2 -0.0010 -0.0043 0.0421 390 ASP 54 H -0.0064 0.0064 0.0318 391 ASP 54 HA -0.0002 -0.0041 0.0399 392 ASP 54 HB2 -0.0077 0.0011 0.0462 393 ASP 54 HB3 -0.0072 0.0035 0.0397 394 SER 55 N 0.0049 -0.0045 0.0314 395 SER 55 CA 0.0095 -0.0046 0.0261 396 SER 55 C 0.0070 -0.0012 0.0223 397 SER 55 O 0.0086 0.0006 0.0167 398 SER 55 CB 0.0150 -0.0089 0.0282 399 SER 55 OG 0.0195 -0.0091 0.0232 400 SER 55 H 0.0057 -0.0070 0.0355 401 SER 55 HA 0.0107 -0.0039 0.0231 402 SER 55 HB2 0.0168 -0.0110 0.0303 403 SER 55 HB3 0.0138 -0.0099 0.0316 404 SER 55 HG 0.0189 -0.0084 0.0225 405 THR 56 N 0.0079 0.0004 0.0246 406 THR 56 CA 0.0053 0.0027 0.0200 407 THR 56 C 0.0004 0.0056 0.0158 408 THR 56 O 0.0006 0.0075 0.0098 409 THR 56 CB 0.0017 0.0026 0.0237 410 THR 56 OG1 0.0060 -0.0002 0.0283 411 THR 56 CG2 -0.0002 0.0047 0.0190 412 THR 56 H 0.0067 -0.0008 0.0294 413 THR 56 HA 0.0094 0.0024 0.0168 414 THR 56 HB -0.0027 0.0031 0.0263 415 THR 56 HG1 0.0055 -0.0014 0.0321 416 THR 56 HG21 -0.0028 0.0046 0.0218 417 THR 56 HG22 0.0042 0.0043 0.0162 418 THR 56 HG23 -0.0035 0.0069 0.0156 419 ASN 57 N -0.0011 0.0055 0.0216 420 ASN 57 CA -0.0048 0.0095 0.0179 421 ASN 57 C -0.0021 0.0093 0.0118 422 ASN 57 O -0.0037 0.0120 0.0068 423 ASN 57 CB -0.0087 0.0114 0.0216 424 ASN 57 CG -0.0131 0.0136 0.0260 425 ASN 57 OD1 -0.0171 0.0173 0.0241 426 ASN 57 ND2 -0.0125 0.0114 0.0318 427 ASN 57 H -0.0011 0.0042 0.0255 428 ASN 57 HA -0.0068 0.0115 0.0167 429 ASN 57 HB2 -0.0066 0.0089 0.0246 430 ASN 57 HB3 -0.0101 0.0135 0.0185 431 ASN 57 HD21 -0.0094 0.0084 0.0333 432 ASN 57 HD22 -0.0154 0.0128 0.0345 433 LEU 58 N 0.0014 0.0070 0.0132 434 LEU 58 CA 0.0035 0.0067 0.0104 435 LEU 58 C 0.0057 0.0066 0.0066 436 LEU 58 O 0.0053 0.0076 0.0030 437 LEU 58 CB 0.0062 0.0049 0.0128 438 LEU 58 CG 0.0092 0.0042 0.0104 439 LEU 58 CD1 0.0129 0.0029 0.0088 440 LEU 58 CD2 0.0073 0.0058 0.0069 441 LEU 58 H 0.0022 0.0060 0.0161 442 LEU 58 HA 0.0013 0.0080 0.0091 443 LEU 58 HB2 0.0043 0.0053 0.0149 444 LEU 58 HB3 0.0078 0.0038 0.0148 445 LEU 58 HG 0.0102 0.0032 0.0124 446 LEU 58 HD11 0.0149 0.0024 0.0071 447 LEU 58 HD12 0.0121 0.0037 0.0067 448 LEU 58 HD13 0.0142 0.0016 0.0114 449 LEU 58 HD21 0.0064 0.0068 0.0046 450 LEU 58 HD22 0.0095 0.0052 0.0053 451 LEU 58 HD23 0.0048 0.0067 0.0082 452 LYS 59 N 0.0090 0.0057 0.0045 453 LYS 59 CA 0.0123 0.0075 -0.0008 454 LYS 59 C 0.0084 0.0073 -0.0065 455 LYS 59 O 0.0096 0.0083 -0.0108 456 LYS 59 CB 0.0169 0.0090 -0.0010 457 LYS 59 CG 0.0148 0.0084 -0.0012 458 LYS 59 CD 0.0197 0.0098 -0.0008 459 LYS 59 CE 0.0234 0.0119 -0.0061 460 LYS 59 NZ 0.0203 0.0118 -0.0116 461 LYS 59 H 0.0094 0.0053 0.0074 462 LYS 59 HA 0.0143 0.0081 -0.0007 463 LYS 59 HB2 0.0194 0.0104 -0.0048 464 LYS 59 HB3 0.0197 0.0092 0.0029 465 LYS 59 HG2 0.0121 0.0070 0.0025 466 LYS 59 HG3 0.0123 0.0083 -0.0052 467 LYS 59 HD2 0.0224 0.0100 0.0031 468 LYS 59 HD3 0.0180 0.0092 -0.0004 469 LYS 59 HE2 0.0250 0.0124 -0.0066 470 LYS 59 HE3 0.0270 0.0128 -0.0054 471 LYS 59 HZ1 0.0189 0.0113 -0.0114 472 LYS 59 HZ2 0.0230 0.0132 -0.0151 473 LYS 59 HZ3 0.0168 0.0109 -0.0127 474 THR 60 N 0.0073 0.0074 -0.0026 475 THR 60 CA 0.0041 0.0076 -0.0061 476 THR 60 C 0.0016 0.0077 -0.0080 477 THR 60 O 0.0004 0.0079 -0.0119 478 THR 60 CB 0.0007 0.0074 -0.0043 479 THR 60 OG1 0.0031 0.0073 -0.0027 480 THR 60 CG2 -0.0027 0.0076 -0.0079 481 THR 60 H 0.0069 0.0072 0.0005 482 THR 60 HA 0.0060 0.0078 -0.0088 483 THR 60 HB -0.0010 0.0072 -0.0016 484 THR 60 HG1 0.0047 0.0072 0.0000 485 THR 60 HG21 -0.0050 0.0074 -0.0065 486 THR 60 HG22 -0.0009 0.0078 -0.0107 487 THR 60 HG23 -0.0045 0.0076 -0.0091 488 HIS 61 N 0.0034 0.0089 -0.0031 489 HIS 61 CA 0.0025 0.0091 -0.0038 490 HIS 61 C 0.0042 0.0094 -0.0058 491 HIS 61 O 0.0033 0.0097 -0.0073 492 HIS 61 CB 0.0021 0.0087 -0.0014 493 HIS 61 CG 0.0021 0.0087 -0.0020 494 HIS 61 ND1 0.0001 0.0090 -0.0031 495 HIS 61 CD2 0.0040 0.0087 -0.0016 496 HIS 61 CE1 0.0008 0.0090 -0.0034 497 HIS 61 NE2 0.0031 0.0088 -0.0026 498 HIS 61 H 0.0039 0.0086 -0.0013 499 HIS 61 HA 0.0006 0.0092 -0.0046 500 HIS 61 HB2 0.0004 0.0085 -0.0005 501 HIS 61 HB3 0.0037 0.0084 -0.0001 502 HIS 61 HD1 -0.0015 0.0091 -0.0036 503 HIS 61 HD2 0.0058 0.0085 -0.0008 504 HIS 61 HE1 -0.0001 0.0092 -0.0044 505 PHE 62 N 0.0076 0.0050 -0.0102 506 PHE 62 CA 0.0087 0.0049 -0.0118 507 PHE 62 C 0.0091 0.0043 -0.0147 508 PHE 62 O 0.0101 0.0042 -0.0163 509 PHE 62 CB 0.0112 0.0057 -0.0108 510 PHE 62 CG 0.0112 0.0063 -0.0079 511 PHE 62 CD1 0.0093 0.0062 -0.0067 512 PHE 62 CD2 0.0130 0.0071 -0.0063 513 PHE 62 CE1 0.0092 0.0067 -0.0040 514 PHE 62 CE2 0.0130 0.0076 -0.0036 515 PHE 62 CZ 0.0111 0.0075 -0.0025 516 PHE 62 H 0.0088 0.0055 -0.0093 517 PHE 62 HA 0.0071 0.0046 -0.0117 518 PHE 62 HB2 0.0129 0.0059 -0.0113 519 PHE 62 HB3 0.0115 0.0055 -0.0118 520 PHE 62 HD1 0.0078 0.0056 -0.0079 521 PHE 62 HD2 0.0146 0.0072 -0.0072 522 PHE 62 HE1 0.0077 0.0066 -0.0032 523 PHE 62 HE2 0.0145 0.0082 -0.0025 524 PHE 62 HZ 0.0112 0.0080 -0.0003 525 ARG 63 N 0.0097 0.0014 -0.0125 526 ARG 63 CA 0.0100 0.0008 -0.0169 527 ARG 63 C 0.0079 -0.0019 -0.0172 528 ARG 63 O 0.0078 -0.0029 -0.0207 529 ARG 63 CB 0.0099 -0.0001 -0.0201 530 ARG 63 CG 0.0123 0.0029 -0.0205 531 ARG 63 CD 0.0121 0.0019 -0.0238 532 ARG 63 NE 0.0120 0.0007 -0.0281 533 ARG 63 CZ 0.0122 0.0002 -0.0317 534 ARG 63 NH1 0.0128 0.0010 -0.0316 535 ARG 63 NH2 0.0120 -0.0009 -0.0353 536 ARG 63 H 0.0088 0.0005 -0.0118 537 ARG 63 HA 0.0120 0.0032 -0.0175 538 ARG 63 HB2 0.0080 -0.0022 -0.0192 539 ARG 63 HB3 0.0099 -0.0008 -0.0233 540 ARG 63 HG2 0.0142 0.0050 -0.0215 541 ARG 63 HG3 0.0123 0.0036 -0.0174 542 ARG 63 HD2 0.0139 0.0041 -0.0240 543 ARG 63 HD3 0.0103 -0.0002 -0.0226 544 ARG 63 HE 0.0116 0.0003 -0.0282 545 ARG 63 HH11 0.0131 0.0019 -0.0289 546 ARG 63 HH12 0.0130 0.0006 -0.0342 547 ARG 63 HH21 0.0116 -0.0015 -0.0355 548 ARG 63 HH22 0.0121 -0.0014 -0.0381 549 SER 64 N 0.0080 -0.0026 -0.0152 550 SER 64 CA 0.0055 -0.0049 -0.0157 551 SER 64 C 0.0059 -0.0048 -0.0159 552 SER 64 O 0.0054 -0.0031 -0.0137 553 SER 64 CB 0.0024 -0.0049 -0.0132 554 SER 64 OG 0.0023 -0.0043 -0.0125 555 SER 64 H 0.0077 -0.0010 -0.0133 556 SER 64 HA 0.0055 -0.0067 -0.0177 557 SER 64 HB2 0.0023 -0.0033 -0.0114 558 SER 64 HB3 0.0005 -0.0068 -0.0138 559 SER 64 HG 0.0019 -0.0059 -0.0140 560 LYS 65 N 0.0068 -0.0078 -0.0178 561 LYS 65 CA 0.0079 -0.0075 -0.0184 562 LYS 65 C 0.0039 -0.0084 -0.0160 563 LYS 65 O 0.0045 -0.0067 -0.0145 564 LYS 65 CB 0.0104 -0.0099 -0.0233 565 LYS 65 CG 0.0081 -0.0142 -0.0264 566 LYS 65 CD 0.0035 -0.0168 -0.0255 567 LYS 65 CE 0.0014 -0.0210 -0.0286 568 LYS 65 NZ -0.0032 -0.0236 -0.0277 569 LYS 65 H 0.0072 -0.0096 -0.0202 570 LYS 65 HA 0.0103 -0.0045 -0.0169 571 LYS 65 HB2 0.0107 -0.0099 -0.0235 572 LYS 65 HB3 0.0139 -0.0084 -0.0244 573 LYS 65 HG2 0.0104 -0.0154 -0.0296 574 LYS 65 HG3 0.0077 -0.0143 -0.0262 575 LYS 65 HD2 0.0012 -0.0157 -0.0223 576 LYS 65 HD3 0.0039 -0.0168 -0.0258 577 LYS 65 HE2 0.0036 -0.0222 -0.0318 578 LYS 65 HE3 0.0012 -0.0211 -0.0285 579 LYS 65 HZ1 -0.0032 -0.0237 -0.0278 580 LYS 65 HZ2 -0.0055 -0.0227 -0.0247 581 LYS 65 HZ3 -0.0045 -0.0264 -0.0299 582 ASP 66 N 0.0023 -0.0129 -0.0178 583 ASP 66 CA -0.0009 -0.0141 -0.0153 584 ASP 66 C -0.0017 -0.0114 -0.0106 585 ASP 66 O -0.0031 -0.0109 -0.0082 586 ASP 66 CB -0.0044 -0.0179 -0.0159 587 ASP 66 CG -0.0077 -0.0197 -0.0140 588 ASP 66 OD1 -0.0080 -0.0216 -0.0162 589 ASP 66 OD2 -0.0101 -0.0193 -0.0103 590 ASP 66 H 0.0019 -0.0142 -0.0191 591 ASP 66 HA -0.0003 -0.0143 -0.0163 592 ASP 66 HB2 -0.0037 -0.0197 -0.0192 593 ASP 66 HB3 -0.0053 -0.0177 -0.0144 594 HIS 67 N 0.0027 -0.0074 -0.0092 595 HIS 67 CA 0.0018 -0.0048 -0.0072 596 HIS 67 C 0.0021 -0.0026 -0.0065 597 HIS 67 O 0.0004 -0.0017 -0.0046 598 HIS 67 CB 0.0033 -0.0033 -0.0078 599 HIS 67 CG 0.0025 -0.0008 -0.0060 600 HIS 67 ND1 0.0001 -0.0008 -0.0039 601 HIS 67 CD2 0.0037 0.0011 -0.0062 602 HIS 67 CE1 -0.0002 0.0009 -0.0028 603 HIS 67 NE2 0.0019 0.0021 -0.0041 604 HIS 67 H 0.0041 -0.0078 -0.0106 605 HIS 67 HA -0.0001 -0.0055 -0.0058 606 HIS 67 HB2 0.0031 -0.0047 -0.0083 607 HIS 67 HB3 0.0052 -0.0024 -0.0091 608 HIS 67 HD1 -0.0013 -0.0020 -0.0032 609 HIS 67 HD2 0.0057 0.0018 -0.0076 610 HIS 67 HE1 -0.0018 0.0015 -0.0011 611 LYS 68 N 0.0056 -0.0010 -0.0086 612 LYS 68 CA 0.0059 0.0010 -0.0083 613 LYS 68 C 0.0046 -0.0001 -0.0075 614 LYS 68 O 0.0039 0.0014 -0.0064 615 LYS 68 CB 0.0082 0.0019 -0.0100 616 LYS 68 CG 0.0095 0.0028 -0.0108 617 LYS 68 CD 0.0118 0.0036 -0.0126 618 LYS 68 CE 0.0127 0.0012 -0.0140 619 LYS 68 NZ 0.0150 0.0019 -0.0158 620 LYS 68 H 0.0068 -0.0018 -0.0099 621 LYS 68 HA 0.0053 0.0027 -0.0072 622 LYS 68 HB2 0.0088 0.0002 -0.0110 623 LYS 68 HB3 0.0085 0.0036 -0.0097 624 LYS 68 HG2 0.0089 0.0043 -0.0098 625 LYS 68 HG3 0.0093 0.0011 -0.0111 626 LYS 68 HD2 0.0120 0.0052 -0.0123 627 LYS 68 HD3 0.0127 0.0043 -0.0131 628 LYS 68 HE2 0.0124 -0.0004 -0.0143 629 LYS 68 HE3 0.0119 0.0006 -0.0136 630 LYS 68 HZ1 0.0153 0.0034 -0.0156 631 LYS 68 HZ2 0.0155 0.0002 -0.0168 632 LYS 68 HZ3 0.0157 0.0025 -0.0163 633 LYS 69 N 0.0045 -0.0031 -0.0085 634 LYS 69 CA 0.0030 -0.0047 -0.0084 635 LYS 69 C -0.0002 -0.0047 -0.0033 636 LYS 69 O -0.0002 -0.0033 -0.0014 637 LYS 69 CB 0.0013 -0.0093 -0.0120 638 LYS 69 CG -0.0014 -0.0122 -0.0117 639 LYS 69 CD -0.0030 -0.0167 -0.0152 640 LYS 69 CE -0.0059 -0.0202 -0.0152 641 LYS 69 NZ -0.0074 -0.0244 -0.0187 642 LYS 69 H 0.0043 -0.0049 -0.0108 643 LYS 69 HA 0.0053 -0.0028 -0.0095 644 LYS 69 HB2 0.0038 -0.0091 -0.0156 645 LYS 69 HB3 -0.0002 -0.0108 -0.0115 646 LYS 69 HG2 -0.0036 -0.0121 -0.0080 647 LYS 69 HG3 0.0002 -0.0110 -0.0125 648 LYS 69 HD2 -0.0005 -0.0164 -0.0188 649 LYS 69 HD3 -0.0042 -0.0175 -0.0144 650 LYS 69 HE2 -0.0083 -0.0203 -0.0116 651 LYS 69 HE3 -0.0046 -0.0195 -0.0164 652 LYS 69 HZ1 -0.0096 -0.0270 -0.0187 653 LYS 69 HZ2 -0.0086 -0.0250 -0.0176 654 LYS 69 HZ3 -0.0051 -0.0243 -0.0221 655 ARG 70 N -0.0013 -0.0067 -0.0031 656 ARG 70 CA -0.0037 -0.0071 0.0018 657 ARG 70 C -0.0033 -0.0020 0.0044 658 ARG 70 O -0.0049 -0.0009 0.0084 659 ARG 70 CB -0.0051 -0.0106 0.0023 660 ARG 70 CG -0.0078 -0.0116 0.0072 661 ARG 70 CD -0.0095 -0.0137 0.0092 662 ARG 70 NE -0.0121 -0.0145 0.0140 663 ARG 70 CZ -0.0135 -0.0144 0.0171 664 ARG 70 NH1 -0.0126 -0.0134 0.0159 665 ARG 70 NH2 -0.0158 -0.0152 0.0214 666 ARG 70 H -0.0006 -0.0081 -0.0054 667 ARG 70 HA -0.0048 -0.0085 0.0031 668 ARG 70 HB2 -0.0051 -0.0139 -0.0000 669 ARG 70 HB3 -0.0040 -0.0089 0.0011 670 ARG 70 HG2 -0.0087 -0.0141 0.0073 671 ARG 70 HG3 -0.0077 -0.0082 0.0094 672 ARG 70 HD2 -0.0086 -0.0113 0.0090 673 ARG 70 HD3 -0.0096 -0.0172 0.0071 674 ARG 70 HE -0.0127 -0.0153 0.0149 675 ARG 70 HH11 -0.0109 -0.0128 0.0127 676 ARG 70 HH12 -0.0137 -0.0133 0.0182 677 ARG 70 HH21 -0.0166 -0.0159 0.0224 678 ARG 70 HH22 -0.0170 -0.0151 0.0239 679 LEU 71 N 0.0002 -0.0004 0.0020 680 LEU 71 CA 0.0002 0.0033 0.0030 681 LEU 71 C -0.0001 0.0053 0.0041 682 LEU 71 O -0.0011 0.0075 0.0064 683 LEU 71 CB 0.0022 0.0051 0.0003 684 LEU 71 CG 0.0028 0.0035 -0.0011 685 LEU 71 CD1 0.0047 0.0057 -0.0037 686 LEU 71 CD2 0.0012 0.0031 0.0014 687 LEU 71 H 0.0014 -0.0012 -0.0002 688 LEU 71 HA -0.0009 0.0034 0.0049 689 LEU 71 HB2 0.0033 0.0051 -0.0016 690 LEU 71 HB3 0.0021 0.0079 0.0011 691 LEU 71 HG 0.0030 0.0008 -0.0022 692 LEU 71 HD11 0.0045 0.0084 -0.0027 693 LEU 71 HD12 0.0058 0.0059 -0.0056 694 LEU 71 HD13 0.0051 0.0045 -0.0047 695 LEU 71 HD21 -0.0001 0.0013 0.0031 696 LEU 71 HD22 0.0009 0.0057 0.0026 697 LEU 71 HD23 0.0017 0.0020 0.0003 698 LYS 72 N 0.0010 0.0041 0.0019 699 LYS 72 CA 0.0013 0.0072 0.0029 700 LYS 72 C 0.0009 0.0064 0.0068 701 LYS 72 O 0.0011 0.0091 0.0091 702 LYS 72 CB 0.0016 0.0074 -0.0003 703 LYS 72 CG 0.0021 0.0105 0.0004 704 LYS 72 CD 0.0024 0.0107 -0.0030 705 LYS 72 CE 0.0028 0.0138 -0.0024 706 LYS 72 NZ 0.0031 0.0141 -0.0057 707 LYS 72 H 0.0009 0.0025 -0.0004 708 LYS 72 HA 0.0017 0.0098 0.0030 709 LYS 72 HB2 0.0019 0.0078 -0.0030 710 LYS 72 HB3 0.0012 0.0047 -0.0004 711 LYS 72 HG2 0.0017 0.0099 0.0030 712 LYS 72 HG3 0.0024 0.0132 0.0007 713 LYS 72 HD2 0.0027 0.0112 -0.0056 714 LYS 72 HD3 0.0020 0.0080 -0.0032 715 LYS 72 HE2 0.0025 0.0132 0.0002 716 LYS 72 HE3 0.0032 0.0165 -0.0020 717 LYS 72 HZ1 0.0028 0.0116 -0.0061 718 LYS 72 HZ2 0.0034 0.0148 -0.0082 719 LYS 72 HZ3 0.0034 0.0163 -0.0052 720 GLN 73 N -0.0023 0.0033 0.0080 721 GLN 73 CA -0.0044 0.0016 0.0119 722 GLN 73 C -0.0055 0.0031 0.0164 723 GLN 73 O -0.0063 0.0045 0.0199 724 GLN 73 CB -0.0060 -0.0037 0.0111 725 GLN 73 CG -0.0051 -0.0055 0.0068 726 GLN 73 CD -0.0068 -0.0108 0.0060 727 GLN 73 OE1 -0.0081 -0.0131 0.0074 728 GLN 73 NE2 -0.0067 -0.0126 0.0040 729 GLN 73 H -0.0023 0.0011 0.0057 730 GLN 73 HA -0.0039 0.0030 0.0120 731 GLN 73 HB2 -0.0065 -0.0051 0.0109 732 GLN 73 HB3 -0.0075 -0.0048 0.0140 733 GLN 73 HG2 -0.0048 -0.0043 0.0071 734 GLN 73 HG3 -0.0036 -0.0043 0.0038 735 GLN 73 HE21 -0.0056 -0.0106 0.0030 736 GLN 73 HE22 -0.0077 -0.0160 0.0033 737 LEU 74 N -0.0057 0.0020 0.0148 738 LEU 74 CA -0.0070 0.0035 0.0186 739 LEU 74 C -0.0059 0.0089 0.0197 740 LEU 74 O -0.0070 0.0108 0.0232 741 LEU 74 CB -0.0072 0.0014 0.0177 742 LEU 74 CG -0.0088 0.0022 0.0215 743 LEU 74 CD1 -0.0114 0.0001 0.0256 744 LEU 74 CD2 -0.0088 -0.0000 0.0200 745 LEU 74 H -0.0046 0.0010 0.0119 746 LEU 74 HA -0.0088 0.0021 0.0214 747 LEU 74 HB2 -0.0078 -0.0023 0.0165 748 LEU 74 HB3 -0.0054 0.0031 0.0149 749 LEU 74 HG -0.0081 0.0059 0.0224 750 LEU 74 HD11 -0.0124 0.0006 0.0282 751 LEU 74 HD12 -0.0121 -0.0036 0.0248 752 LEU 74 HD13 -0.0114 0.0018 0.0268 753 LEU 74 HD21 -0.0095 -0.0038 0.0191 754 LEU 74 HD22 -0.0099 0.0005 0.0227 755 LEU 74 HD23 -0.0070 0.0015 0.0172 756 SER 75 N -0.0035 0.0095 0.0157 757 SER 75 CA -0.0030 0.0137 0.0157 758 SER 75 C -0.0024 0.0151 0.0145 759 SER 75 O -0.0023 0.0184 0.0152 760 SER 75 CB -0.0042 0.0154 0.0195 761 SER 75 OG -0.0038 0.0195 0.0196 762 SER 75 H -0.0029 0.0081 0.0137 763 SER 75 HA -0.0022 0.0145 0.0137 764 SER 75 HB2 -0.0046 0.0144 0.0202 765 SER 75 HB3 -0.0051 0.0145 0.0215 766 SER 75 HG -0.0042 0.0203 0.0208 767 VAL 76 N -0.0023 0.0131 0.0116 768 VAL 76 CA -0.0014 0.0147 0.0100 769 VAL 76 C 0.0001 0.0178 0.0076 770 VAL 76 O -0.0001 0.0210 0.0079 771 VAL 76 CB -0.0003 0.0116 0.0081 772 VAL 76 CG1 0.0008 0.0132 0.0063 773 VAL 76 CG2 -0.0016 0.0085 0.0103 774 VAL 76 H -0.0022 0.0105 0.0113 775 VAL 76 HA -0.0024 0.0159 0.0118 776 VAL 76 HB 0.0007 0.0104 0.0063 777 VAL 76 HG11 0.0015 0.0110 0.0050 778 VAL 76 HG12 -0.0002 0.0145 0.0081 779 VAL 76 HG13 0.0018 0.0153 0.0046 780 VAL 76 HG21 -0.0009 0.0064 0.0090 781 VAL 76 HG22 -0.0023 0.0073 0.0115 782 VAL 76 HG23 -0.0027 0.0097 0.0122 783 GLU 77 N 0.0006 0.0140 0.0043 784 GLU 77 CA 0.0020 0.0164 0.0022 785 GLU 77 C 0.0024 0.0157 0.0013 786 GLU 77 O 0.0033 0.0134 -0.0005 787 GLU 77 CB 0.0035 0.0165 -0.0005 788 GLU 77 CG 0.0041 0.0130 -0.0020 789 GLU 77 CD 0.0057 0.0133 -0.0048 790 GLU 77 OE1 0.0055 0.0139 -0.0045 791 GLU 77 OE2 0.0070 0.0129 -0.0073 792 GLU 77 H 0.0006 0.0116 0.0041 793 GLU 77 HA 0.0015 0.0188 0.0034 794 GLU 77 HB2 0.0045 0.0180 -0.0021 795 GLU 77 HB3 0.0032 0.0177 0.0001 796 GLU 77 HG2 0.0031 0.0114 -0.0005 797 GLU 77 HG3 0.0044 0.0118 -0.0027 798 PRO 78 N 0.0021 0.0158 0.0033 799 PRO 78 CA 0.0027 0.0158 0.0022 800 PRO 78 C 0.0044 0.0171 -0.0006 801 PRO 78 O 0.0050 0.0197 -0.0009 802 PRO 78 CB 0.0020 0.0179 0.0043 803 PRO 78 CG 0.0008 0.0182 0.0069 804 PRO 78 CD 0.0012 0.0179 0.0059 805 PRO 78 HA 0.0024 0.0135 0.0020 806 PRO 78 HB2 0.0028 0.0202 0.0035 807 PRO 78 HB3 0.0016 0.0169 0.0048 808 PRO 78 HG2 0.0006 0.0204 0.0080 809 PRO 78 HG3 -0.0002 0.0164 0.0082 810 PRO 78 HD2 0.0019 0.0201 0.0054 811 PRO 78 HD3 0.0003 0.0169 0.0074 812 TYR 79 N 0.0059 0.0118 -0.0030 813 TYR 79 CA 0.0039 0.0122 -0.0044 814 TYR 79 C 0.0034 0.0101 -0.0058 815 TYR 79 O 0.0030 0.0091 -0.0066 816 TYR 79 CB 0.0026 0.0136 -0.0046 817 TYR 79 CG 0.0028 0.0158 -0.0033 818 TYR 79 CD1 0.0042 0.0162 -0.0020 819 TYR 79 CD2 0.0017 0.0174 -0.0032 820 TYR 79 CE1 0.0044 0.0182 -0.0008 821 TYR 79 CE2 0.0020 0.0194 -0.0020 822 TYR 79 CZ 0.0033 0.0198 -0.0008 823 TYR 79 OH 0.0036 0.0219 0.0004 824 TYR 79 H 0.0067 0.0122 -0.0022 825 TYR 79 HA 0.0037 0.0130 -0.0041 826 TYR 79 HB2 0.0029 0.0129 -0.0047 827 TYR 79 HB3 0.0011 0.0137 -0.0056 828 TYR 79 HD1 0.0051 0.0150 -0.0020 829 TYR 79 HD2 0.0007 0.0171 -0.0042 830 TYR 79 HE1 0.0055 0.0185 0.0002 831 TYR 79 HE2 0.0011 0.0207 -0.0020 832 TYR 79 HH 0.0037 0.0223 0.0007 833 SER 80 N 0.0060 0.0090 -0.0099 834 SER 80 CA 0.0070 0.0084 -0.0114 835 SER 80 C 0.0071 0.0085 -0.0124 836 SER 80 O 0.0061 0.0092 -0.0121 837 SER 80 CB 0.0085 0.0072 -0.0106 838 SER 80 OG 0.0096 0.0066 -0.0121 839 SER 80 H 0.0063 0.0087 -0.0088 840 SER 80 HA 0.0067 0.0087 -0.0122 841 SER 80 HB2 0.0084 0.0072 -0.0098 842 SER 80 HB3 0.0089 0.0069 -0.0098 843 SER 80 HG 0.0094 0.0067 -0.0125 844 GLN 81 N 0.0085 0.0061 -0.0172 845 GLN 81 CA 0.0103 0.0060 -0.0169 846 GLN 81 C 0.0114 0.0042 -0.0143 847 GLN 81 O 0.0117 0.0034 -0.0131 848 GLN 81 CB 0.0129 0.0073 -0.0186 849 GLN 81 CG 0.0147 0.0074 -0.0187 850 GLN 81 CD 0.0174 0.0086 -0.0201 851 GLN 81 OE1 0.0187 0.0088 -0.0203 852 GLN 81 NE2 0.0182 0.0093 -0.0211 853 GLN 81 H 0.0091 0.0067 -0.0180 854 GLN 81 HA 0.0091 0.0062 -0.0174 855 GLN 81 HB2 0.0121 0.0085 -0.0204 856 GLN 81 HB3 0.0143 0.0069 -0.0180 857 GLN 81 HG2 0.0153 0.0062 -0.0168 858 GLN 81 HG3 0.0133 0.0079 -0.0194 859 GLN 81 HE21 0.0170 0.0091 -0.0209 860 GLN 81 HE22 0.0200 0.0101 -0.0221 861 GLU 82 N 0.0069 0.0046 -0.0123 862 GLU 82 CA 0.0077 0.0032 -0.0100 863 GLU 82 C 0.0048 0.0037 -0.0071 864 GLU 82 O 0.0048 0.0028 -0.0049 865 GLU 82 CB 0.0109 0.0009 -0.0087 866 GLU 82 CG 0.0120 -0.0007 -0.0064 867 GLU 82 CD 0.0152 -0.0029 -0.0055 868 GLU 82 OE1 0.0153 -0.0039 -0.0032 869 GLU 82 OE2 0.0177 -0.0038 -0.0070 870 GLU 82 H 0.0062 0.0059 -0.0145 871 GLU 82 HA 0.0079 0.0037 -0.0116 872 GLU 82 HB2 0.0128 0.0006 -0.0110 873 GLU 82 HB3 0.0106 0.0005 -0.0073 874 GLU 82 HG2 0.0102 -0.0006 -0.0041 875 GLU 82 HG3 0.0122 -0.0003 -0.0078 876 GLU 83 N -0.0026 0.0096 -0.0040 877 GLU 83 CA -0.0055 0.0103 -0.0016 878 GLU 83 C -0.0111 0.0075 -0.0047 879 GLU 83 O -0.0165 0.0078 -0.0022 880 GLU 83 CB -0.0005 0.0113 -0.0016 881 GLU 83 CG -0.0030 0.0122 0.0009 882 GLU 83 CD 0.0022 0.0135 0.0014 883 GLU 83 OE1 0.0045 0.0116 -0.0029 884 GLU 83 OE2 0.0041 0.0165 0.0061 885 GLU 83 H -0.0014 0.0076 -0.0081 886 GLU 83 HA -0.0072 0.0123 0.0028 887 GLU 83 HB2 0.0033 0.0134 0.0009 888 GLU 83 HB3 0.0014 0.0094 -0.0059 889 GLU 83 HG2 -0.0064 0.0100 -0.0017 890 GLU 83 HG3 -0.0053 0.0140 0.0051 891 ALA 84 N -0.0156 0.0076 -0.0062 892 ALA 84 CA -0.0235 0.0051 -0.0116 893 ALA 84 C -0.0274 0.0008 -0.0191 894 ALA 84 O -0.0319 -0.0030 -0.0257 895 ALA 84 CB -0.0193 0.0025 -0.0148 896 ALA 84 H -0.0085 0.0054 -0.0080 897 ALA 84 HA -0.0297 0.0086 -0.0077 898 ALA 84 HB1 -0.0252 0.0006 -0.0188 899 ALA 84 HB2 -0.0128 -0.0008 -0.0184 900 ALA 84 HB3 -0.0173 0.0058 -0.0093 901 GLU 85 N -0.0213 -0.0014 -0.0172 902 GLU 85 CA -0.0190 -0.0004 -0.0192 903 GLU 85 C -0.0137 0.0006 -0.0125 904 GLU 85 O -0.0073 0.0026 -0.0122 905 GLU 85 CB -0.0150 0.0016 -0.0270 906 GLU 85 CG -0.0135 0.0024 -0.0305 907 GLU 85 CD -0.0073 0.0039 -0.0265 908 GLU 85 OE1 -0.0007 0.0062 -0.0285 909 GLU 85 OE2 -0.0090 0.0029 -0.0214 910 GLU 85 H -0.0189 -0.0010 -0.0126 911 GLU 85 HA -0.0237 -0.0019 -0.0195 912 GLU 85 HB2 -0.0183 0.0009 -0.0311 913 GLU 85 HB3 -0.0097 0.0031 -0.0260 914 GLU 85 HG2 -0.0187 0.0006 -0.0293 915 GLU 85 HG3 -0.0127 0.0032 -0.0367 916 ARG 86 N -0.0275 0.0035 -0.0268 917 ARG 86 CA -0.0116 -0.0008 -0.0079 918 ARG 86 C -0.0099 -0.0002 -0.0151 919 ARG 86 O -0.0287 0.0037 -0.0267 920 ARG 86 CB -0.0213 -0.0027 0.0225 921 ARG 86 CG -0.0526 0.0012 0.0278 922 ARG 86 CD -0.0663 0.0037 0.0222 923 ARG 86 NE -0.0961 0.0076 0.0253 924 ARG 86 CZ -0.1144 0.0111 0.0169 925 ARG 86 NH1 -0.1061 0.0111 0.0059 926 ARG 86 NH2 -0.1409 0.0146 0.0198 927 ARG 86 H -0.0465 0.0066 -0.0306 928 ARG 86 HA 0.0090 -0.0035 -0.0097 929 ARG 86 HB2 -0.0125 -0.0053 0.0352 930 ARG 86 HB3 -0.0133 -0.0045 0.0290 931 ARG 86 HG2 -0.0565 -0.0005 0.0491 932 ARG 86 HG3 -0.0617 0.0039 0.0149 933 ARG 86 HD2 -0.0611 0.0052 0.0016 934 ARG 86 HD3 -0.0588 0.0011 0.0368 935 ARG 86 HE -0.1028 0.0076 0.0340 936 ARG 86 HH11 -0.0863 0.0086 0.0033 937 ARG 86 HH12 -0.1195 0.0137 -0.0004 938 ARG 86 HH21 -0.1479 0.0147 0.0281 939 ARG 86 HH22 -0.1553 0.0173 0.0136 940 ALA 87 N 0.0075 -0.0069 -0.0083 941 ALA 87 CA 0.0193 -0.0073 -0.0130 942 ALA 87 C 0.0185 -0.0161 0.0076 943 ALA 87 O 0.0347 -0.0214 0.0123 944 ALA 87 CB 0.0439 -0.0087 -0.0211 945 ALA 87 H 0.0157 -0.0119 -0.0008 946 ALA 87 HA 0.0108 -0.0003 -0.0250 947 ALA 87 HB1 0.0521 -0.0155 -0.0092 948 ALA 87 HB2 0.0441 -0.0024 -0.0357 949 ALA 87 HB3 0.0528 -0.0091 -0.0242 950 ALA 88 N 0.0057 -0.0210 0.0203 951 ALA 88 CA 0.0006 -0.0314 0.0474 952 ALA 88 C -0.0280 -0.0271 0.0485 953 ALA 88 O -0.0524 -0.0265 0.0569 954 ALA 88 CB -0.0001 -0.0406 0.0701 955 ALA 88 H -0.0110 -0.0150 0.0122 956 ALA 88 HA 0.0190 -0.0357 0.0507 957 ALA 88 HB1 -0.0186 -0.0363 0.0672 958 ALA 88 HB2 0.0206 -0.0435 0.0687 959 ALA 88 HB3 -0.0033 -0.0484 0.0903 960 GLY 89 N -0.0316 -0.0289 0.0296 961 GLY 89 CA -0.0491 -0.0201 0.0277 962 GLY 89 C -0.0352 -0.0191 0.0162 963 GLY 89 O -0.0187 -0.0317 0.0251 964 GLY 89 H -0.0143 -0.0305 0.0200 965 GLY 89 HA2 -0.0595 -0.0264 0.0452 966 GLY 89 HA3 -0.0622 -0.0079 0.0171 967 MET 90 N -0.0435 -0.0175 -0.0015 968 MET 90 CA -0.0347 -0.0156 -0.0055 969 MET 90 C -0.0238 -0.0179 -0.0214 970 MET 90 O -0.0288 -0.0256 -0.0342 971 MET 90 CB -0.0460 -0.0202 -0.0052 972 MET 90 CG -0.0381 -0.0172 -0.0059 973 MET 90 SD -0.0244 -0.0192 -0.0239 974 MET 90 CE -0.0195 -0.0158 -0.0206 975 MET 90 H -0.0415 -0.0125 0.0080 976 MET 90 HA -0.0270 -0.0085 0.0033 977 MET 90 HB2 -0.0544 -0.0190 0.0056 978 MET 90 HB3 -0.0525 -0.0272 -0.0150 979 MET 90 HG2 -0.0317 -0.0102 0.0039 980 MET 90 HG3 -0.0475 -0.0205 -0.0046 981 MET 90 HE1 -0.0141 -0.0089 -0.0100 982 MET 90 HE2 -0.0113 -0.0167 -0.0306 983 MET 90 HE3 -0.0302 -0.0196 -0.0192 984 GLY 91 N 0.0150 -0.0109 -0.0294 985 GLY 91 CA 0.0280 -0.0089 -0.0474 986 GLY 91 C 0.0391 -0.0120 -0.0349 987 GLY 91 O 0.0619 -0.0142 -0.0328 988 GLY 91 H 0.0244 -0.0141 -0.0153 989 GLY 91 HA2 0.0149 -0.0055 -0.0613 990 GLY 91 HA3 0.0429 -0.0087 -0.0560 991 SER 92 N 0.0211 -0.0184 -0.0368 992 SER 92 CA 0.0267 -0.0192 -0.0299 993 SER 92 C 0.0246 -0.0187 -0.0371 994 SER 92 O 0.0137 -0.0177 -0.0391 995 SER 92 CB 0.0211 -0.0192 -0.0164 996 SER 92 OG 0.0232 -0.0196 -0.0100 997 SER 92 H 0.0118 -0.0175 -0.0379 998 SER 92 HA 0.0369 -0.0202 -0.0292 999 SER 92 HB2 0.0109 -0.0182 -0.0170 1000 SER 92 HB3 0.0257 -0.0198 -0.0110 1001 SER 92 HG 0.0260 -0.0196 -0.0166 1002 TYR 93 N 0.0296 -0.0269 -0.0422 1003 TYR 93 CA 0.0228 -0.0229 -0.0280 1004 TYR 93 C 0.0113 -0.0324 -0.0276 1005 TYR 93 O 0.0078 -0.0421 -0.0375 1006 TYR 93 CB 0.0185 -0.0207 -0.0195 1007 TYR 93 CG 0.0129 -0.0149 -0.0041 1008 TYR 93 CD1 0.0207 -0.0031 0.0036 1009 TYR 93 CD2 -0.0000 -0.0212 0.0029 1010 TYR 93 CE1 0.0158 0.0023 0.0176 1011 TYR 93 CE2 -0.0050 -0.0158 0.0169 1012 TYR 93 CZ 0.0029 -0.0041 0.0242 1013 TYR 93 OH -0.0021 0.0013 0.0382 1014 TYR 93 H 0.0253 -0.0335 -0.0465 1015 TYR 93 HA 0.0290 -0.0151 -0.0243 1016 TYR 93 HB2 0.0266 -0.0154 -0.0217 1017 TYR 93 HB3 0.0115 -0.0288 -0.0226 1018 TYR 93 HD1 0.0308 0.0019 -0.0017 1019 TYR 93 HD2 -0.0063 -0.0304 -0.0029 1020 TYR 93 HE1 0.0220 0.0115 0.0233 1021 TYR 93 HE2 -0.0151 -0.0208 0.0222 1022 TYR 93 HH -0.0076 -0.0022 0.0399 1023 VAL 94 N 0.0077 -0.0321 -0.0248 1024 VAL 94 CA -0.0093 -0.0406 -0.0287 1025 VAL 94 C -0.0291 -0.0477 -0.0274 1026 VAL 94 O -0.0379 -0.0428 -0.0113 1027 VAL 94 CB -0.0122 -0.0353 -0.0160 1028 VAL 94 CG1 -0.0156 -0.0255 0.0057 1029 VAL 94 CG2 -0.0294 -0.0446 -0.0212 1030 VAL 94 H 0.0144 -0.0239 -0.0138 1031 VAL 94 HA -0.0052 -0.0468 -0.0438 1032 VAL 94 HB 0.0017 -0.0316 -0.0192 1033 VAL 94 HG11 -0.0174 -0.0222 0.0137 1034 VAL 94 HG12 -0.0290 -0.0289 0.0094 1035 VAL 94 HG13 -0.0026 -0.0187 0.0092 1036 VAL 94 HG21 -0.0434 -0.0488 -0.0188 1037 VAL 94 HG22 -0.0311 -0.0407 -0.0122 1038 VAL 94 HG23 -0.0259 -0.0510 -0.0363