============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 2 0.840 275.793 21.499 -35.032 -99.200 -91.000 TYR 42 0.840 231.410 31.788 12.997 -99.200 -91.000 TYR 75 0.840 207.088 54.072 10.458 -99.200 -91.000 TYR 86 0.840 203.344 44.689 2.483 -99.200 -91.000 TYR 89 0.840 214.337 51.885 6.711 -99.200 -91.000 TRP 99 1.040 210.970 59.504 -1.196 -99.200 -91.000 TRP6 99 1.020 210.291 59.251 -3.451 -99.200 -91.000 PHE 112 1.000 219.591 41.989 -2.850 -99.200 -91.000 TRP 116 1.040 209.025 33.717 -10.521 -99.200 -91.000 TRP6 116 1.020 208.795 35.259 -12.293 -99.200 -91.000 TYR 119 0.840 214.983 38.486 -7.048 -99.200 -91.000 PHE 123 1.000 216.067 38.514 -1.984 -99.200 -91.000 TYR 135 0.840 213.855 53.663 17.125 -99.200 -91.000 TYR 142 0.840 213.352 45.933 2.272 -99.200 -91.000 TRP 143 1.040 212.467 42.191 -5.008 -99.200 -91.000 TRP6 143 1.020 212.878 44.001 -6.474 -99.200 -91.000 TRP 167 1.040 232.456 50.978 -2.988 -99.200 -91.000 TRP6 167 1.020 232.379 49.490 -1.160 -99.200 -91.000 HIS 175 0.900 211.677 61.796 -8.251 -99.200 -91.000 TYR 176 0.840 213.255 56.572 -13.979 -99.200 -91.000 PHE 179 1.000 208.489 51.220 -10.441 -99.200 -91.000 TYR 188 0.840 205.945 39.527 -10.717 -99.200 -91.000 TYR 195 0.840 216.669 60.842 -15.919 -99.200 -91.000 HIS 220 0.900 217.829 48.157 -17.169 -99.200 -91.000 PHE 224 1.000 207.420 40.434 -20.722 -99.200 -91.000 PHE 225 1.000 212.444 40.247 -11.214 -99.200 -91.000 TYR 228 0.840 219.698 30.988 -9.865 -99.200 -91.000 TRP 235 1.040 221.266 36.805 -25.180 -99.200 -91.000 TRP6 235 1.020 222.865 36.277 -23.520 -99.200 -91.000 TRP 252 1.040 217.582 45.026 -13.628 -99.200 -91.000 TRP6 252 1.020 216.855 46.539 -11.984 -99.200 -91.000 TRP 253 1.040 211.350 44.624 -13.789 -99.200 -91.000 TRP6 253 1.020 211.971 45.724 -11.805 -99.200 -91.000 TYR 254 0.840 219.305 41.031 -15.194 -99.200 -91.000 HIS 258 0.900 223.913 45.229 -16.554 -99.200 -91.000 TYR 266 0.840 228.058 46.072 -1.389 -99.200 -91.000 TYR 267 0.840 231.780 42.077 -8.420 -99.200 -91.000 TRP 268 1.040 234.387 45.467 1.176 -99.200 -91.000 TRP6 268 1.020 234.436 43.774 2.857 -99.200 -91.000 TYR 272 0.840 232.835 44.527 -11.268 -99.200 -91.000 TRP 274 1.040 238.682 40.196 -18.186 -99.200 -91.000 TRP6 274 1.020 238.904 37.934 -18.834 -99.200 -91.000 HIS 279 0.900 227.691 31.985 -15.357 -99.200 -91.000 TRP 287 1.040 222.352 54.272 -13.259 -99.200 -91.000 TRP6 287 1.020 220.280 53.748 -12.247 -99.200 -91.000 TRP 290 1.040 227.891 59.057 -10.647 -99.200 -91.000 TRP6 290 1.020 228.361 58.019 -8.571 -99.200 -91.000 TRP 294 1.040 234.524 46.426 -16.524 -99.200 -91.000 TRP6 294 1.020 233.920 44.153 -16.284 -99.200 -91.000 TYR 295 0.840 232.871 52.356 -8.334 -99.200 -91.000 PHE 307 1.000 203.032 62.154 -10.903 -99.200 -91.000 PHE 308 1.000 197.378 61.860 -5.897 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h32B1 LEU 151 HA -0.25 -0.01 0.16 -0.75 4.35 3.50 3h32B1 LEU 151 HB2 -0.47 0.01 -0.04 -0.04 1.64 1.10 3h32B1 LEU 151 HB3 -0.21 0.01 0.11 -0.04 1.64 1.51 3h32B1 LEU 151 HG -0.35 -0.01 0.03 -0.04 1.64 1.28 3h32B1 LEU 151 HD13 -0.09 0.01 0.02 -0.04 0.93 0.82 3h32B1 LEU 151 HD23 -0.15 0.00 0.04 -0.04 0.89 0.74 3h32B1 TYR 152 H -0.61 0.24 0.11 -0.55 8.29 7.48 3h32B1 TYR 152 HA -0.00 0.20 0.88 -0.75 4.56 4.89 3h32B1 TYR 152 HB2 -0.00 -0.02 0.05 -0.04 3.06 3.05 3h32B1 TYR 152 HB3 -0.00 0.01 0.12 -0.04 2.98 3.07 3h32B1 TYR 152 HD2 -0.00 -0.01 -0.02 -0.04 7.15 7.08 3h32B1 TYR 152 HE2 -0.00 -0.00 0.00 -0.04 6.85 6.81 3h32B1 ILE 153 H 0.01 0.19 -0.04 -0.55 8.25 7.85 3h32B1 ILE 153 HA 0.06 0.03 0.26 -0.75 4.18 3.77 3h32B1 ILE 153 HB 0.01 0.01 0.12 -0.04 1.89 1.99 3h32B1 ILE 153 HG12 0.00 0.02 -0.27 -0.04 1.49 1.20 3h32B1 ILE 153 HG13 -0.01 0.03 -0.05 -0.04 1.21 1.14 3h32B1 ILE 153 HG23 -0.00 0.01 0.05 -0.04 0.93 0.95 3h32B1 ILE 153 HD13 -0.03 -0.01 -0.15 -0.04 0.88 0.65 3h32B1 ASP 154 H 0.04 0.26 -0.65 -0.55 8.40 7.50 3h32B1 ASP 154 HA 0.02 0.07 0.44 -0.75 4.63 4.40 3h32B1 ASP 154 HB2 0.02 0.03 0.05 -0.04 2.71 2.76 3h32B1 ASP 154 HB3 0.03 0.06 0.07 -0.04 2.70 2.82 3h32B1 GLU 155 H 0.04 0.30 -0.01 -0.55 8.60 8.38 3h32B1 GLU 155 HA 0.02 0.06 0.39 -0.75 4.29 4.00 3h32B1 GLU 155 HB2 0.01 0.01 0.08 -0.04 2.09 2.15 3h32B1 GLU 155 HB3 0.02 0.05 0.13 -0.04 1.99 2.15 3h32B1 GLU 155 HG2 0.02 -0.02 -0.11 -0.04 2.34 2.19 3h32B1 GLU 155 HG3 0.01 0.02 -0.05 -0.04 2.34 2.29 3h32B1 THR 156 H 0.02 0.29 -0.34 -0.55 8.28 7.69 3h32B1 THR 156 HA 0.01 0.04 0.48 -0.75 4.39 4.17 3h32B1 THR 156 HB 0.01 -0.04 0.09 -0.04 4.32 4.34 3h32B1 THR 156 HG23 0.01 0.00 0.03 -0.04 1.22 1.22 3h32B1 VAL 157 H 0.01 0.52 -0.19 -0.55 8.24 8.03 3h32B1 VAL 157 HA 0.00 0.04 0.58 -0.75 4.13 4.00 3h32B1 VAL 157 HB 0.01 0.09 0.13 -0.04 2.12 2.30 3h32B1 VAL 157 HG13 0.00 -0.00 -0.07 -0.04 0.97 0.85 3h32B1 VAL 157 HG23 0.01 0.01 0.08 -0.04 0.95 1.01 3h32B1 ASN 158 H 0.01 0.28 -0.09 -0.55 8.53 8.18 3h32B1 ASN 158 HA 0.00 0.14 0.70 -0.75 4.76 4.85 3h32B1 ASN 158 HB2 0.00 -0.02 0.09 -0.04 2.88 2.92 3h32B1 ASN 158 HB3 0.00 0.07 0.05 -0.04 2.79 2.88 3h32B1 ASN 158 HD21 0.00 -0.00 0.01 -0.04 7.03 7.00 3h32B1 ASN 158 HD22 0.00 0.01 -0.01 -0.04 7.74 7.70 3h32B1 SER 159 H 0.00 0.08 -0.17 -0.55 8.46 7.83 3h32B1 SER 159 HA 0.00 0.16 0.72 -0.75 4.49 4.61 3h32B1 SER 159 HB2 0.00 0.02 -0.04 -0.04 3.95 3.89 3h32B1 SER 159 HB3 0.00 0.02 0.06 -0.04 3.93 3.97 3h32B1 ASN 160 H 0.00 0.45 0.04 -0.55 8.53 8.48 3h32B1 ASN 160 HA 0.00 0.14 0.79 -0.75 4.76 4.93 3h32B1 ASN 160 HB2 0.00 0.16 0.21 -0.04 2.88 3.21 3h32B1 ASN 160 HB3 0.00 -0.02 0.01 -0.04 2.79 2.74 3h32B1 ASN 160 HD21 0.00 -0.02 0.02 -0.04 7.03 6.99 3h32B1 ASN 160 HD22 0.00 0.01 0.03 -0.04 7.74 7.75 3h32B1 ILE 161 H 0.00 0.24 0.05 -0.55 8.25 7.99 3h32B1 ILE 161 HA 0.00 0.01 0.39 -0.75 4.18 3.83 3h32B1 ILE 161 HB 0.00 0.25 0.18 -0.04 1.89 2.28 3h32B1 ILE 161 HG12 0.00 -0.04 0.08 -0.04 1.49 1.49 3h32B1 ILE 161 HG13 0.00 -0.02 0.21 -0.04 1.21 1.36 3h32B1 ILE 161 HG23 0.00 -0.02 -0.05 -0.04 0.93 0.82 3h32B1 ILE 161 HD13 0.00 0.01 0.08 -0.04 0.88 0.93 3h32B1 PRO 162 HA -0.00 0.02 0.42 -0.51 4.44 4.37 3h32B1 PRO 162 HB2 -0.00 0.05 -0.01 -0.04 2.28 2.28 3h32B1 PRO 162 HB3 -0.00 0.00 0.05 -0.04 2.02 2.03 3h32B1 PRO 162 HG2 0.00 0.77 0.16 -0.04 2.03 2.91 3h32B1 PRO 162 HG3 0.00 -0.05 0.07 -0.04 2.03 2.01 3h32B1 PRO 162 HD2 0.00 0.02 -0.82 -0.04 3.68 2.84 3h32B1 PRO 162 HD3 0.00 0.21 -0.03 -0.04 3.65 3.79 3h32B1 THR 163 H -0.00 0.34 -0.25 -0.55 8.28 7.81 3h32B1 THR 163 HA -0.00 0.03 0.42 -0.75 4.39 4.08 3h32B1 THR 163 HB -0.00 -0.03 0.02 -0.04 4.32 4.27 3h32B1 THR 163 HG23 -0.00 -0.00 0.07 -0.04 1.22 1.24 3h32B1 ASN 164 H -0.00 0.36 -0.43 -0.55 8.53 7.91 3h32B1 ASN 164 HA -0.00 0.04 0.54 -0.75 4.76 4.59 3h32B1 ASN 164 HB2 0.00 0.28 0.22 -0.04 2.88 3.34 3h32B1 ASN 164 HB3 -0.00 -0.06 0.01 -0.04 2.79 2.69 3h32B1 ASN 164 HD21 0.00 -0.01 -0.02 -0.04 7.03 6.95 3h32B1 ASN 164 HD22 0.00 -0.02 0.00 -0.04 7.74 7.68 3h32B1 LEU 165 H -0.00 0.49 0.04 -0.55 8.37 8.36 3h32B1 LEU 165 HA -0.00 0.00 0.48 -0.75 4.35 4.08 3h32B1 LEU 165 HB2 -0.00 0.20 0.22 -0.04 1.64 2.01 3h32B1 LEU 165 HB3 -0.00 -0.03 0.03 -0.04 1.64 1.60 3h32B1 LEU 165 HG -0.00 0.04 0.05 -0.04 1.64 1.69 3h32B1 LEU 165 HD13 -0.00 -0.01 -0.02 -0.04 0.93 0.86 3h32B1 LEU 165 HD23 -0.00 -0.01 0.04 -0.04 0.89 0.87 3h32B1 ARG 166 H -0.00 0.40 -0.37 -0.55 8.46 7.93 3h32B1 ARG 166 HA -0.00 0.01 0.39 -0.75 4.34 3.98 3h32B1 ARG 166 HB2 -0.00 0.28 0.09 -0.04 1.90 2.23 3h32B1 ARG 166 HB3 -0.00 -0.05 0.03 -0.04 1.80 1.73 3h32B1 ARG 166 HG2 -0.00 -0.05 0.02 -0.04 1.67 1.59 3h32B1 ARG 166 HG3 -0.00 0.30 0.08 -0.04 1.67 2.01 3h32B1 ARG 166 HD2 -0.00 -0.01 0.04 -0.04 3.22 3.21 3h32B1 ARG 166 HD3 -0.00 -0.02 0.01 -0.04 3.22 3.16 3h32B1 VAL 167 H -0.00 0.28 -0.30 -0.55 8.24 7.68 3h32B1 VAL 167 HA -0.00 0.03 0.55 -0.75 4.13 3.95 3h32B1 VAL 167 HB -0.00 0.14 0.25 -0.04 2.12 2.47 3h32B1 VAL 167 HG13 -0.00 -0.02 -0.03 -0.04 0.97 0.87 3h32B1 VAL 167 HG23 -0.00 0.10 0.11 -0.04 0.95 1.12 3h32B1 LEU 168 H -0.00 0.61 0.05 -0.55 8.37 8.48 3h32B1 LEU 168 HA -0.00 0.01 0.37 -0.75 4.35 3.97 3h32B1 LEU 168 HB2 -0.00 0.08 0.15 -0.04 1.64 1.82 3h32B1 LEU 168 HB3 -0.00 -0.04 0.04 -0.04 1.64 1.60 3h32B1 LEU 168 HG -0.00 0.21 0.10 -0.04 1.64 1.91 3h32B1 LEU 168 HD13 -0.00 -0.01 -0.00 -0.04 0.93 0.87 3h32B1 LEU 168 HD23 -0.00 -0.02 -0.01 -0.04 0.89 0.82 3h32B1 ARG 169 H -0.00 0.62 -0.15 -0.55 8.46 8.38 3h32B1 ARG 169 HA -0.00 -0.01 0.39 -0.75 4.34 3.96 3h32B1 ARG 169 HB2 -0.00 0.08 0.14 -0.04 1.90 2.07 3h32B1 ARG 169 HB3 -0.00 0.08 0.17 -0.04 1.80 2.00 3h32B1 ARG 169 HG2 -0.00 0.00 -0.02 -0.04 1.67 1.61 3h32B1 ARG 169 HG3 -0.00 -0.04 -0.16 -0.04 1.67 1.43 3h32B1 ARG 169 HD2 -0.00 -0.02 0.03 -0.04 3.22 3.18 3h32B1 ARG 169 HD3 -0.00 0.01 -0.00 -0.04 3.22 3.18 3h32B1 SER 170 H -0.01 0.48 -0.14 -0.55 8.46 8.25 3h32B1 SER 170 HA -0.01 -0.00 0.40 -0.75 4.49 4.12 3h32B1 SER 170 HB2 -0.01 0.00 0.15 -0.04 3.95 4.06 3h32B1 SER 170 HB3 -0.01 0.13 0.24 -0.04 3.93 4.26 3h32B1 ILE 171 H -0.01 0.63 -0.04 -0.55 8.25 8.29 3h32B1 ILE 171 HA -0.01 0.00 0.38 -0.75 4.18 3.80 3h32B1 ILE 171 HB -0.01 0.07 0.16 -0.04 1.89 2.07 3h32B1 ILE 171 HG12 -0.01 -0.05 0.05 -0.04 1.49 1.44 3h32B1 ILE 171 HG13 -0.01 0.11 0.13 -0.04 1.21 1.40 3h32B1 ILE 171 HG23 -0.01 -0.02 -0.14 -0.04 0.93 0.72 3h32B1 ILE 171 HD13 -0.01 -0.02 -0.02 -0.04 0.88 0.79 3h32B1 LEU 172 H -0.01 1.10 0.05 -0.55 8.37 8.97 3h32B1 LEU 172 HA -0.01 0.02 0.54 -0.75 4.35 4.14 3h32B1 LEU 172 HB2 -0.00 0.29 0.17 -0.04 1.64 2.05 3h32B1 LEU 172 HB3 -0.00 -0.06 -0.04 -0.04 1.64 1.49 3h32B1 LEU 172 HG -0.00 -0.04 0.04 -0.04 1.64 1.60 3h32B1 LEU 172 HD13 -0.00 -0.02 -0.05 -0.04 0.93 0.82 3h32B1 LEU 172 HD23 -0.00 -0.01 0.02 -0.04 0.89 0.85 3h32B1 GLU 173 H -0.01 0.77 -0.03 -0.55 8.60 8.79 3h32B1 GLU 173 HA -0.01 -0.02 0.51 -0.75 4.29 4.02 3h32B1 GLU 173 HB2 -0.01 0.16 0.19 -0.04 2.09 2.39 3h32B1 GLU 173 HB3 -0.01 0.04 0.09 -0.04 1.99 2.07 3h32B1 GLU 173 HG2 -0.01 -0.01 0.00 -0.04 2.34 2.28 3h32B1 GLU 173 HG3 -0.01 -0.04 -0.02 -0.04 2.34 2.23 3h32B1 ASN 174 H -0.01 0.63 -0.15 -0.55 8.53 8.46 3h32B1 ASN 174 HA -0.01 -0.01 0.49 -0.75 4.76 4.48 3h32B1 ASN 174 HB2 -0.01 0.11 0.17 -0.04 2.88 3.11 3h32B1 ASN 174 HB3 -0.01 0.16 0.19 -0.04 2.79 3.08 3h32B1 ASN 174 HD21 -0.02 -0.03 0.02 -0.04 7.03 6.97 3h32B1 ASN 174 HD22 -0.01 0.01 0.04 -0.04 7.74 7.73 3h32B1 LEU 175 H -0.01 0.37 -0.38 -0.55 8.37 7.81 3h32B1 LEU 175 HA -0.01 0.01 0.57 -0.75 4.35 4.16 3h32B1 LEU 175 HB2 -0.01 0.22 0.21 -0.04 1.64 2.02 3h32B1 LEU 175 HB3 -0.01 -0.06 0.02 -0.04 1.64 1.54 3h32B1 LEU 175 HG -0.01 0.21 0.11 -0.04 1.64 1.91 3h32B1 LEU 175 HD13 -0.01 -0.02 0.01 -0.04 0.93 0.86 3h32B1 LEU 175 HD23 -0.02 -0.02 0.01 -0.04 0.89 0.82 3h32B1 ARG 176 H -0.01 0.45 0.02 -0.55 8.46 8.37 3h32B1 ARG 176 HA -0.01 0.03 0.44 -0.75 4.34 4.05 3h32B1 ARG 176 HB2 -0.01 0.08 0.18 -0.04 1.90 2.11 3h32B1 ARG 176 HB3 -0.01 0.05 0.07 -0.04 1.80 1.87 3h32B1 ARG 176 HG2 -0.01 -0.03 0.14 -0.04 1.67 1.72 3h32B1 ARG 176 HG3 -0.00 -0.00 0.06 -0.04 1.67 1.68 3h32B1 ARG 176 HD2 -0.01 -0.00 -0.07 -0.04 3.22 3.10 3h32B1 ARG 176 HD3 -0.00 -0.02 0.01 -0.04 3.22 3.17 3h32B1 SER 177 H -0.01 0.35 -0.45 -0.55 8.46 7.80 3h32B1 SER 177 HA -0.01 0.05 0.61 -0.75 4.49 4.39 3h32B1 SER 177 HB2 -0.01 -0.05 0.03 -0.04 3.95 3.88 3h32B1 SER 177 HB3 -0.01 0.01 0.09 -0.04 3.93 3.98 3h32B1 LYS 178 H -0.01 0.54 0.12 -0.55 8.42 8.52 3h32B1 LYS 178 HA -0.01 0.01 0.40 -0.75 4.32 3.96 3h32B1 LYS 178 HB2 -0.01 0.04 0.27 -0.04 1.87 2.12 3h32B1 LYS 178 HB3 -0.01 -0.03 0.00 -0.04 1.79 1.71 3h32B1 LYS 178 HG2 -0.01 0.11 0.11 -0.04 1.46 1.63 3h32B1 LYS 178 HG3 -0.02 -0.02 0.02 -0.04 1.46 1.40 3h32B1 LYS 178 HD2 -0.02 -0.01 0.05 -0.04 1.69 1.68 3h32B1 LYS 178 HD3 -0.01 -0.04 0.11 -0.04 1.68 1.70 3h32B1 LYS 178 HE2 -0.02 -0.02 0.02 -0.04 2.99 2.94 3h32B1 LYS 178 HE3 -0.02 0.01 0.03 -0.04 2.99 2.96 3h32B1 ILE 179 H -0.01 0.46 -0.50 -0.55 8.25 7.65 3h32B1 ILE 179 HA -0.01 0.06 0.60 -0.75 4.18 4.07 3h32B1 ILE 179 HB -0.01 0.13 0.07 -0.04 1.89 2.05 3h32B1 ILE 179 HG12 -0.01 -0.06 0.00 -0.04 1.49 1.38 3h32B1 ILE 179 HG13 -0.01 0.12 0.09 -0.04 1.21 1.36 3h32B1 ILE 179 HG23 -0.01 -0.02 -0.06 -0.04 0.93 0.80 3h32B1 ILE 179 HD13 -0.01 -0.03 -0.06 -0.04 0.88 0.74 3h32B1 GLN 180 H -0.01 0.39 -0.05 -0.55 8.47 8.25 3h32B1 GLN 180 HA -0.01 0.00 0.45 -0.75 4.36 4.05 3h32B1 GLN 180 HB2 -0.01 -0.06 0.12 -0.04 2.15 2.16 3h32B1 GLN 180 HB3 -0.01 0.15 0.24 -0.04 2.02 2.36 3h32B1 GLN 180 HG2 -0.01 -0.06 0.12 -0.04 2.40 2.41 3h32B1 GLN 180 HG3 -0.01 0.26 0.14 -0.04 2.39 2.74 3h32B1 GLN 180 HE21 -0.01 -0.02 -0.04 -0.04 6.97 6.86 3h32B1 GLN 180 HE22 -0.01 -0.00 -0.01 -0.04 7.69 7.63 3h32B1 LYS 181 H -0.01 0.50 -0.37 -0.55 8.42 7.99 3h32B1 LYS 181 HA -0.01 0.02 0.43 -0.75 4.32 4.01 3h32B1 LYS 181 HB2 -0.01 0.12 0.09 -0.04 1.87 2.03 3h32B1 LYS 181 HB3 -0.01 0.14 0.07 -0.04 1.79 1.95 3h32B1 LYS 181 HG2 -0.01 -0.03 0.05 -0.04 1.46 1.43 3h32B1 LYS 181 HG3 -0.01 -0.01 0.01 -0.04 1.46 1.40 3h32B1 LYS 181 HD2 -0.00 0.03 -0.04 -0.04 1.69 1.63 3h32B1 LYS 181 HD3 -0.00 -0.04 -0.09 -0.04 1.68 1.51 3h32B1 LYS 181 HE2 -0.00 -0.01 0.00 -0.04 2.99 2.93 3h32B1 LYS 181 HE3 -0.01 -0.00 -0.00 -0.04 2.99 2.94 3h32B1 LEU 182 H -0.01 0.32 -0.18 -0.55 8.37 7.95 3h32B1 LEU 182 HA -0.00 0.01 0.49 -0.75 4.35 4.10 3h32B1 LEU 182 HB2 -0.00 0.12 0.18 -0.04 1.64 1.89 3h32B1 LEU 182 HB3 -0.00 -0.07 0.09 -0.04 1.64 1.62 3h32B1 LEU 182 HG -0.01 0.32 0.25 -0.04 1.64 2.16 3h32B1 LEU 182 HD13 -0.00 -0.02 0.03 -0.04 0.93 0.89 3h32B1 LEU 182 HD23 -0.00 -0.07 -0.03 -0.04 0.89 0.75 3h32B1 GLU 183 H -0.01 0.60 -0.07 -0.55 8.60 8.58 3h32B1 GLU 183 HA -0.01 -0.01 0.39 -0.75 4.29 3.91 3h32B1 GLU 183 HB2 -0.01 0.16 0.20 -0.04 2.09 2.40 3h32B1 GLU 183 HB3 -0.01 -0.04 0.02 -0.04 1.99 1.92 3h32B1 GLU 183 HG2 -0.01 -0.04 0.04 -0.04 2.34 2.29 3h32B1 GLU 183 HG3 -0.01 0.13 0.05 -0.04 2.34 2.48 3h32B1 SER 184 H -0.01 0.45 -0.20 -0.55 8.46 8.15 3h32B1 SER 184 HA -0.02 0.02 0.40 -0.75 4.49 4.13 3h32B1 SER 184 HB2 -0.02 -0.04 0.05 -0.04 3.95 3.90 3h32B1 SER 184 HB3 -0.02 -0.01 0.11 -0.04 3.93 3.98 3h32B1 ASP 185 H -0.01 0.33 -0.32 -0.55 8.40 7.86 3h32B1 ASP 185 HA -0.02 0.03 0.51 -0.75 4.63 4.40 3h32B1 ASP 185 HB2 0.00 0.13 0.27 -0.04 2.71 3.07 3h32B1 ASP 185 HB3 0.01 -0.05 0.03 -0.04 2.70 2.65 3h32B1 VAL 186 H -0.01 0.63 0.12 -0.55 8.24 8.43 3h32B1 VAL 186 HA 0.00 -0.01 0.40 -0.75 4.13 3.77 3h32B1 VAL 186 HB -0.01 0.07 0.09 -0.04 2.12 2.23 3h32B1 VAL 186 HG13 0.00 -0.01 0.01 -0.04 0.97 0.93 3h32B1 VAL 186 HG23 0.00 0.10 0.09 -0.04 0.95 1.10 3h32B1 SER 187 H -0.02 0.50 -0.30 -0.55 8.46 8.10 3h32B1 SER 187 HA -0.03 0.00 0.39 -0.75 4.49 4.10 3h32B1 SER 187 HB2 -0.03 0.10 0.15 -0.04 3.95 4.13 3h32B1 SER 187 HB3 -0.04 -0.03 -0.05 -0.04 3.93 3.77 3h32B1 ALA 188 H -0.07 0.52 -0.12 -0.55 8.40 8.19 3h32B1 ALA 188 HA -0.19 0.03 0.54 -0.75 4.34 3.96 3h32B1 ALA 188 HB3 -0.16 -0.00 0.16 -0.04 1.41 1.37 3h32B1 GLN 189 H -0.07 0.81 0.06 -0.55 8.47 8.73 3h32B1 GLN 189 HA 0.03 0.02 0.43 -0.75 4.36 4.08 3h32B1 GLN 189 HB2 0.05 0.00 0.10 -0.04 2.15 2.25 3h32B1 GLN 189 HB3 0.02 0.06 0.11 -0.04 2.02 2.17 3h32B1 GLN 189 HG2 0.07 -0.01 -0.01 -0.04 2.40 2.40 3h32B1 GLN 189 HG3 0.07 -0.01 -0.18 -0.04 2.39 2.23 3h32B1 GLN 189 HE21 0.15 0.00 0.01 -0.04 6.97 7.10 3h32B1 GLN 189 HE22 0.11 0.00 0.01 -0.04 7.69 7.77 3h32B1 MET 190 H -0.03 0.61 -0.18 -0.55 8.47 8.32 3h32B1 MET 190 HA 0.01 -0.04 0.37 -0.75 4.52 4.11 3h32B1 MET 190 HB2 -0.01 0.02 0.14 -0.04 2.15 2.27 3h32B1 MET 190 HB3 -0.03 0.19 0.16 -0.04 2.03 2.32 3h32B1 MET 190 HG2 -0.00 0.01 -0.23 -0.04 2.63 2.37 3h32B1 MET 190 HG3 0.00 -0.06 0.01 -0.04 2.56 2.47 3h32B1 MET 190 HE3 -0.01 0.00 -0.04 -0.04 2.10 2.01 3h32B1 GLU 191 H -0.09 0.31 -0.53 -0.55 8.60 7.75 3h32B1 GLU 191 HA -0.01 -0.01 0.37 -0.75 4.29 3.88 3h32B1 GLU 191 HB2 -0.11 0.06 0.18 -0.04 2.09 2.18 3h32B1 GLU 191 HB3 -0.26 0.23 0.11 -0.04 1.99 2.03 3h32B1 GLU 191 HG2 -0.01 -0.02 0.04 -0.04 2.34 2.31 3h32B1 GLU 191 HG3 -0.03 -0.05 0.08 -0.04 2.34 2.30 3h32B1 TYR 192 H 0.05 0.35 -0.45 -0.55 8.29 7.69 3h32B1 TYR 192 HA 0.00 0.11 0.73 -0.75 4.56 4.65 3h32B1 TYR 192 HB2 0.01 0.17 0.28 -0.04 3.06 3.48 3h32B1 TYR 192 HB3 0.01 -0.06 0.04 -0.04 2.98 2.92 3h32B1 TYR 192 HD2 0.01 0.01 -0.02 -0.04 7.15 7.10 3h32B1 TYR 192 HE2 0.01 -0.04 -0.03 -0.04 6.85 6.75 3h32B1 CYS 193 H 0.12 0.35 -0.00 -0.55 8.50 8.42 3h32B1 CYS 193 HA 0.05 0.07 0.26 -0.75 4.58 4.20 3h32B1 CYS 193 HB2 0.03 0.02 0.11 -0.04 2.97 3.09 3h32B1 CYS 193 HB3 0.03 -0.05 0.12 -0.04 2.97 3.02 3h32B1 ARG 194 H 0.08 0.40 -1.34 -0.55 8.46 7.05 3h32B1 ARG 194 HA 0.03 0.04 0.60 -0.75 4.34 4.25 3h32B1 ARG 194 HB2 0.03 -0.12 0.11 -0.04 1.90 1.88 3h32B1 ARG 194 HB3 0.04 0.06 0.00 -0.04 1.80 1.86 3h32B1 ARG 194 HG2 0.08 0.48 0.14 -0.04 1.67 2.33 3h32B1 ARG 194 HG3 0.05 -0.07 -0.35 -0.04 1.67 1.26 3h32B1 ARG 194 HD2 0.04 -0.07 0.03 -0.04 3.22 3.18 3h32B1 ARG 194 HD3 0.03 -0.10 0.02 -0.04 3.22 3.12 3h32B1 THR 195 H 0.05 0.41 -0.09 -0.55 8.28 8.10 3h32B1 THR 195 HA 0.02 0.10 0.72 -0.75 4.39 4.47 3h32B1 THR 195 HB 0.02 0.02 0.26 -0.04 4.32 4.58 3h32B1 THR 195 HG23 0.01 -0.00 0.03 -0.04 1.22 1.22 3h32B1 PRO 196 HA 0.00 0.01 0.33 -0.51 4.44 4.27 3h32B1 PRO 196 HB2 -0.00 0.08 0.09 -0.04 2.28 2.40 3h32B1 PRO 196 HB3 0.00 0.01 0.11 -0.04 2.02 2.11 3h32B1 PRO 196 HG2 0.00 0.02 -0.05 -0.04 2.03 1.96 3h32B1 PRO 196 HG3 0.00 0.01 0.02 -0.04 2.03 2.03 3h32B1 PRO 196 HD2 0.01 0.10 0.07 -0.04 3.68 3.82 3h32B1 PRO 196 HD3 0.01 0.18 -0.11 -0.04 3.65 3.69 3h32B1 CYS 197 H -0.01 0.05 0.16 -0.55 8.50 8.16 3h32B1 CYS 197 HA -0.02 0.10 0.61 -0.75 4.58 4.52 3h32B1 CYS 197 HB2 -0.03 0.02 0.10 -0.04 2.97 3.02 3h32B1 CYS 197 HB3 -0.02 -0.04 0.15 -0.04 2.97 3.03 3h32B1 THR 198 H -0.02 0.17 0.20 -0.55 8.28 8.07 3h32B1 THR 198 HA -0.01 0.23 1.02 -0.75 4.39 4.87 3h32B1 THR 198 HB -0.01 -0.03 0.09 -0.04 4.32 4.32 3h32B1 THR 198 HG23 -0.01 -0.02 -0.11 -0.04 1.22 1.04 3h32B1 VAL 199 H -0.02 0.31 0.12 -0.55 8.24 8.10 3h32B1 VAL 199 HA -0.02 0.06 0.60 -0.75 4.13 4.01 3h32B1 VAL 199 HB -0.02 0.03 0.01 -0.04 2.12 2.09 3h32B1 VAL 199 HG13 -0.03 -0.00 -0.14 -0.04 0.97 0.76 3h32B1 VAL 199 HG23 -0.03 -0.01 -0.17 -0.04 0.95 0.70 3h32B1 SER 200 H -0.02 0.17 0.05 -0.55 8.46 8.11 3h32B1 SER 200 HA -0.01 0.16 0.85 -0.75 4.49 4.73 3h32B1 SER 200 HB2 -0.01 0.03 0.15 -0.04 3.95 4.08 3h32B1 SER 200 HB3 -0.01 0.03 -0.00 -0.04 3.93 3.91 3h32B1 CYS 201 H -0.02 0.23 0.04 -0.55 8.50 8.21 3h32B1 CYS 201 HA -0.02 0.19 0.89 -0.75 4.58 4.89 3h32B1 CYS 201 HB2 -0.02 -0.01 0.07 -0.04 2.97 2.97 3h32B1 CYS 201 HB3 -0.03 0.04 -0.14 -0.04 2.97 2.80 3h32B1 ASN 202 H 0.01 0.28 0.09 -0.55 8.53 8.36 3h32B1 ASN 202 HA -0.00 0.04 0.52 -0.75 4.76 4.57 3h32B1 ASN 202 HB2 0.03 -0.04 0.05 -0.04 2.88 2.87 3h32B1 ASN 202 HB3 0.00 0.05 -0.09 -0.04 2.79 2.71 3h32B1 ASN 202 HD21 0.01 -0.04 -0.03 -0.04 7.03 6.94 3h32B1 ASN 202 HD22 0.03 -0.08 -0.13 -0.04 7.74 7.52 3h32B1 ILE 203 H -0.01 0.00 0.15 -0.55 8.25 7.84 3h32B1 ILE 203 HA -0.03 0.11 0.30 -0.75 4.18 3.81 3h32B1 ILE 203 HB -0.00 -0.06 0.06 -0.04 1.89 1.84 3h32B1 ILE 203 HG12 -0.01 -0.01 -0.01 -0.04 1.49 1.43 3h32B1 ILE 203 HG13 -0.01 0.03 -0.03 -0.04 1.21 1.16 3h32B1 ILE 203 HG23 0.00 0.07 -0.15 -0.04 0.93 0.81 3h32B1 ILE 203 HD13 -0.01 -0.01 0.15 -0.04 0.88 0.98 3h32B1 PRO 204 HA -0.01 -0.05 0.46 -0.51 4.44 4.33 3h32B1 PRO 204 HB2 0.19 0.10 0.05 -0.04 2.28 2.57 3h32B1 PRO 204 HB3 0.04 -0.06 0.09 -0.04 2.02 2.04 3h32B1 PRO 204 HG2 -0.49 0.24 0.15 -0.04 2.03 1.89 3h32B1 PRO 204 HG3 -0.16 -0.03 0.10 -0.04 2.03 1.91 3h32B1 PRO 204 HD2 -0.03 -0.01 0.19 -0.04 3.68 3.79 3h32B1 PRO 204 HD3 -0.08 0.21 0.23 -0.04 3.65 3.96 3h32B1 VAL 205 H 0.01 0.05 0.16 -0.55 8.24 7.91 3h32B1 VAL 205 HA 0.01 0.11 0.29 -0.75 4.13 3.79 3h32B1 VAL 205 HB 0.00 -0.03 0.03 -0.04 2.12 2.08 3h32B1 VAL 205 HG13 -0.00 -0.00 -0.04 -0.04 0.97 0.88 3h32B1 VAL 205 HG23 -0.01 -0.00 0.08 -0.04 0.95 0.98 3h32B1 VAL 206 H 0.04 -0.04 -0.11 -0.55 8.24 7.58 3h32B1 VAL 206 HA -0.01 0.03 0.43 -0.75 4.13 3.82 3h32B1 VAL 206 HB -0.00 0.04 0.03 -0.04 2.12 2.15 3h32B1 VAL 206 HG13 0.13 -0.03 -0.05 -0.04 0.97 0.99 3h32B1 VAL 206 HG23 -0.09 0.01 -0.31 -0.04 0.95 0.52 3h32B1 SER 207 H -0.03 0.17 0.22 -0.55 8.46 8.27 3h32B1 SER 207 HA -0.04 0.16 0.77 -0.75 4.49 4.63 3h32B1 SER 207 HB2 -0.01 0.15 -0.20 -0.04 3.95 3.84 3h32B1 SER 207 HB3 -0.02 -0.07 0.01 -0.04 3.93 3.80 3h32B1 GLY 208 H -0.08 0.32 0.16 -0.55 8.43 8.28 3h32B1 GLY 208 HA2 -0.05 0.17 0.50 -0.51 4.01 4.11 3h32B1 GLY 208 HA3 -0.08 -0.06 0.28 -0.51 4.01 3.65 3h32B1 LYS 209 H -0.05 0.06 0.13 -0.55 8.42 8.00 3h32B1 LYS 209 HA -0.06 0.08 0.42 -0.75 4.32 4.01 3h32B1 LYS 209 HB2 -0.03 -0.09 0.11 -0.04 1.87 1.81 3h32B1 LYS 209 HB3 -0.02 0.08 0.01 -0.04 1.79 1.82 3h32B1 LYS 209 HG2 -0.02 0.18 -0.06 -0.04 1.46 1.52 3h32B1 LYS 209 HG3 -0.03 -0.09 -0.07 -0.04 1.46 1.23 3h32B1 LYS 209 HD2 -0.01 -0.06 0.02 -0.04 1.69 1.60 3h32B1 LYS 209 HD3 -0.00 0.08 0.02 -0.04 1.68 1.74 3h32B1 LYS 209 HE2 -0.00 -0.02 0.00 -0.04 2.99 2.94 3h32B1 LYS 209 HE3 -0.00 0.04 -0.01 -0.04 2.99 2.98 3h32B1 GLU 210 H -0.06 -0.02 0.12 -0.55 8.60 8.10 3h32B1 GLU 210 HA -0.04 0.27 0.67 -0.75 4.29 4.44 3h32B1 GLU 210 HB2 -0.05 -0.19 0.04 -0.04 2.09 1.85 3h32B1 GLU 210 HB3 -0.03 0.07 0.14 -0.04 1.99 2.13 3h32B1 GLU 210 HG2 -0.02 0.20 -0.22 -0.04 2.34 2.26 3h32B1 GLU 210 HG3 -0.03 -0.19 -0.22 -0.04 2.34 1.85 3h32B1 CYS 211 H -0.03 0.23 0.06 -0.55 8.50 8.22 3h32B1 CYS 211 HA -0.13 0.10 0.34 -0.75 4.58 4.14 3h32B1 CYS 211 HB2 -0.03 0.18 -0.45 -0.04 2.97 2.63 3h32B1 CYS 211 HB3 -0.04 0.01 -0.29 -0.04 2.97 2.60 3h32B1 GLU 212 H -0.08 -0.00 -0.14 -0.55 8.60 7.83 3h32B1 GLU 212 HA -0.12 0.21 0.40 -0.75 4.29 4.02 3h32B1 GLU 212 HB2 -0.12 0.12 0.14 -0.04 2.09 2.19 3h32B1 GLU 212 HB3 -0.06 -0.14 0.11 -0.04 1.99 1.85 3h32B1 GLU 212 HG2 0.00 -0.00 -0.06 -0.04 2.34 2.24 3h32B1 GLU 212 HG3 -0.04 -0.01 -0.48 -0.04 2.34 1.77 3h32B1 GLU 213 H -0.07 -0.02 -0.29 -0.55 8.60 7.67 3h32B1 GLU 213 HA -0.06 0.11 0.32 -0.75 4.29 3.92 3h32B1 GLU 213 HB2 -0.06 -0.21 0.13 -0.04 2.09 1.91 3h32B1 GLU 213 HB3 -0.07 0.10 -0.09 -0.04 1.99 1.89 3h32B1 GLU 213 HG2 -0.04 0.09 0.01 -0.04 2.34 2.36 3h32B1 GLU 213 HG3 -0.03 0.01 0.01 -0.04 2.34 2.29 3h32B1 ILE 214 H -0.13 0.22 -0.28 -0.55 8.25 7.50 3h32B1 ILE 214 HA -0.15 0.04 0.11 -0.75 4.18 3.42 3h32B1 ILE 214 HB -0.33 0.12 -0.01 -0.04 1.89 1.63 3h32B1 ILE 214 HG12 -0.19 -0.04 -0.32 -0.04 1.49 0.90 3h32B1 ILE 214 HG13 -0.18 0.11 -0.09 -0.04 1.21 1.01 3h32B1 ILE 214 HG23 -0.64 -0.00 -0.28 -0.04 0.93 -0.04 3h32B1 ILE 214 HD13 -0.34 0.01 -0.25 -0.04 0.88 0.27 3h32B1 ILE 215 H -0.14 0.52 -0.25 -0.55 8.25 7.83 3h32B1 ILE 215 HA -0.10 0.03 0.43 -0.75 4.18 3.79 3h32B1 ILE 215 HB -0.09 -0.01 0.05 -0.04 1.89 1.80 3h32B1 ILE 215 HG12 -0.04 -0.05 -0.15 -0.04 1.49 1.21 3h32B1 ILE 215 HG13 -0.04 0.01 0.04 -0.04 1.21 1.18 3h32B1 ILE 215 HG23 -0.08 0.09 0.01 -0.04 0.93 0.90 3h32B1 ILE 215 HD13 -0.02 0.04 -0.17 -0.04 0.88 0.69 3h32B1 ARG 216 H -0.07 0.46 -0.28 -0.55 8.46 8.01 3h32B1 ARG 216 HA -0.04 0.06 0.62 -0.75 4.34 4.22 3h32B1 ARG 216 HB2 -0.05 0.08 0.12 -0.04 1.90 2.01 3h32B1 ARG 216 HB3 -0.04 -0.07 0.19 -0.04 1.80 1.83 3h32B1 ARG 216 HG2 -0.04 -0.03 -0.02 -0.04 1.67 1.55 3h32B1 ARG 216 HG3 -0.05 0.10 -0.00 -0.04 1.67 1.68 3h32B1 ARG 216 HD2 -0.04 -0.05 0.01 -0.04 3.22 3.10 3h32B1 ARG 216 HD3 -0.04 0.00 -0.02 -0.04 3.22 3.12 3h32B1 LYS 217 H -0.07 0.36 -0.71 -0.55 8.42 7.45 3h32B1 LYS 217 HA -0.04 0.12 0.77 -0.75 4.32 4.41 3h32B1 LYS 217 HB2 -0.08 0.10 -0.03 -0.04 1.87 1.83 3h32B1 LYS 217 HB3 -0.05 -0.09 0.14 -0.04 1.79 1.75 3h32B1 LYS 217 HG2 -0.04 -0.04 0.02 -0.04 1.46 1.36 3h32B1 LYS 217 HG3 -0.05 0.05 -0.29 -0.04 1.46 1.13 3h32B1 LYS 217 HD2 -0.06 -0.11 -0.29 -0.04 1.69 1.19 3h32B1 LYS 217 HD3 -0.05 0.01 -0.04 -0.04 1.68 1.55 3h32B1 LYS 217 HE2 -0.03 -0.02 0.01 -0.04 2.99 2.90 3h32B1 LYS 217 HE3 -0.04 -0.05 -0.03 -0.04 2.99 2.82 3h32B1 GLY 218 H -0.04 0.26 -0.10 -0.55 8.43 8.00 3h32B1 GLY 218 HA2 -0.03 -0.00 0.27 -0.51 4.01 3.74 3h32B1 GLY 218 HA3 -0.03 0.10 0.65 -0.51 4.01 4.23 3h32B1 GLY 219 H -0.07 0.25 0.04 -0.55 8.43 8.10 3h32B1 GLY 219 HA2 -0.01 0.06 0.58 -0.51 4.01 4.13 3h32B1 GLY 219 HA3 -0.16 0.01 0.04 -0.51 4.01 3.39 3h32B1 GLU 220 H 0.02 0.21 -0.01 -0.55 8.60 8.26 3h32B1 GLU 220 HA 0.01 0.14 0.49 -0.75 4.29 4.18 3h32B1 GLU 220 HB2 0.01 -0.14 0.16 -0.04 2.09 2.08 3h32B1 GLU 220 HB3 0.01 -0.00 0.01 -0.04 1.99 1.97 3h32B1 GLU 220 HG2 -0.00 0.02 -0.08 -0.04 2.34 2.24 3h32B1 GLU 220 HG3 -0.00 0.11 -0.03 -0.04 2.34 2.38 3h32B1 THR 221 H 0.04 0.01 0.08 -0.55 8.28 7.86 3h32B1 THR 221 HA 0.05 0.03 0.37 -0.75 4.39 4.09 3h32B1 THR 221 HB 0.04 -0.02 0.01 -0.04 4.32 4.31 3h32B1 THR 221 HG23 -0.05 -0.00 0.06 -0.04 1.22 1.18 3h32B1 SER 222 H 0.08 0.06 0.10 -0.55 8.46 8.16 3h32B1 SER 222 HA 0.09 0.31 0.81 -0.75 4.49 4.94 3h32B1 SER 222 HB2 0.09 -0.05 0.26 -0.04 3.95 4.20 3h32B1 SER 222 HB3 0.09 0.03 0.10 -0.04 3.93 4.10 3h32B1 GLU 223 H -0.11 0.20 -0.23 -0.55 8.60 7.91 3h32B1 GLU 223 HA -0.21 0.24 0.94 -0.75 4.29 4.50 3h32B1 GLU 223 HB2 -0.12 0.10 0.14 -0.04 2.09 2.17 3h32B1 GLU 223 HB3 0.17 -0.18 -0.14 -0.04 1.99 1.81 3h32B1 GLU 223 HG2 -0.27 -0.09 -0.16 -0.04 2.34 1.78 3h32B1 GLU 223 HG3 -0.92 0.26 -0.18 -0.04 2.34 1.46 3h32B1 MET 224 H -0.25 0.36 0.25 -0.55 8.47 8.28 3h32B1 MET 224 HA -0.24 -0.09 0.82 -0.75 4.52 4.26 3h32B1 MET 224 HB2 -0.03 0.16 0.08 -0.04 2.15 2.32 3h32B1 MET 224 HB3 0.00 0.02 -0.01 -0.04 2.03 2.01 3h32B1 MET 224 HG2 -0.05 -0.04 -0.07 -0.04 2.63 2.43 3h32B1 MET 224 HG3 -0.15 -0.07 0.03 -0.04 2.56 2.33 3h32B1 MET 224 HE3 -0.04 -0.04 -0.11 -0.04 2.10 1.88 3h32B1 TYR 225 H 0.07 0.44 0.23 -0.55 8.29 8.49 3h32B1 TYR 225 HA -0.05 0.20 0.77 -0.75 4.56 4.73 3h32B1 TYR 225 HB2 -0.06 -0.07 -0.17 -0.04 3.06 2.71 3h32B1 TYR 225 HB3 -0.06 0.01 0.00 -0.04 2.98 2.89 3h32B1 TYR 225 HD2 -0.07 0.00 -0.10 -0.04 7.15 6.94 3h32B1 TYR 225 HE2 -0.07 0.01 -0.07 -0.04 6.85 6.69 3h32B1 LEU 226 H 0.11 0.34 0.08 -0.55 8.37 8.36 3h32B1 LEU 226 HA -0.05 0.22 0.73 -0.75 4.35 4.49 3h32B1 LEU 226 HB2 -0.01 -0.05 -0.14 -0.04 1.64 1.40 3h32B1 LEU 226 HB3 0.00 0.08 0.05 -0.04 1.64 1.74 3h32B1 LEU 226 HG -0.05 0.02 -0.34 -0.04 1.64 1.23 3h32B1 LEU 226 HD13 -0.04 0.04 -0.38 -0.04 0.93 0.51 3h32B1 LEU 226 HD23 -0.01 -0.01 -0.12 -0.04 0.89 0.72 3h32B1 ILE 227 H -0.26 0.50 0.14 -0.55 8.25 8.07 3h32B1 ILE 227 HA -0.12 0.16 1.02 -0.75 4.18 4.48 3h32B1 ILE 227 HB -0.16 0.06 -0.21 -0.04 1.89 1.55 3h32B1 ILE 227 HG12 -0.35 0.08 -0.05 -0.04 1.49 1.14 3h32B1 ILE 227 HG13 -0.57 0.02 -0.12 -0.04 1.21 0.50 3h32B1 ILE 227 HG23 -0.09 -0.09 -0.55 -0.04 0.93 0.16 3h32B1 ILE 227 HD13 -0.08 0.02 -0.17 -0.04 0.88 0.61 3h32B1 GLN 228 H -0.11 0.69 0.29 -0.55 8.47 8.80 3h32B1 GLN 228 HA -0.11 0.18 0.77 -0.75 4.36 4.44 3h32B1 GLN 228 HB2 -0.05 0.02 -0.04 -0.04 2.15 2.04 3h32B1 GLN 228 HB3 -0.04 -0.04 0.09 -0.04 2.02 1.99 3h32B1 GLN 228 HG2 -0.01 -0.20 -0.15 -0.04 2.40 2.00 3h32B1 GLN 228 HG3 0.01 0.23 0.04 -0.04 2.39 2.63 3h32B1 GLN 228 HE21 0.01 -0.11 0.03 -0.04 6.97 6.85 3h32B1 GLN 228 HE22 0.02 0.48 0.13 -0.04 7.69 8.27 3h32B1 PRO 229 HA -0.01 -0.05 0.44 -0.51 4.44 4.30 3h32B1 PRO 229 HB2 0.04 0.03 0.03 -0.04 2.28 2.35 3h32B1 PRO 229 HB3 0.02 0.11 0.13 -0.04 2.02 2.24 3h32B1 PRO 229 HG2 0.14 0.01 -0.06 -0.04 2.03 2.08 3h32B1 PRO 229 HG3 0.25 0.01 0.02 -0.04 2.03 2.26 3h32B1 PRO 229 HD2 -0.03 0.17 0.07 -0.04 3.68 3.85 3h32B1 PRO 229 HD3 -0.21 0.15 0.00 -0.04 3.65 3.56 3h32B1 ASP 230 H 0.02 0.17 -0.78 -0.55 8.40 7.27 3h32B1 ASP 230 HA 0.01 0.08 0.57 -0.75 4.63 4.55 3h32B1 ASP 230 HB2 0.03 0.16 -0.46 -0.04 2.71 2.40 3h32B1 ASP 230 HB3 0.04 -0.03 -0.21 -0.04 2.70 2.46 3h32B1 SER 231 H 0.01 0.16 0.12 -0.55 8.46 8.21 3h32B1 SER 231 HA 0.01 0.15 0.43 -0.75 4.49 4.33 3h32B1 SER 231 HB2 0.01 0.02 0.11 -0.04 3.95 4.05 3h32B1 SER 231 HB3 0.01 -0.03 0.08 -0.04 3.93 3.95 3h32B1 SER 232 H 0.02 0.04 -0.32 -0.55 8.46 7.65 3h32B1 SER 232 HA 0.02 0.22 0.80 -0.75 4.49 4.77 3h32B1 SER 232 HB2 0.02 -0.01 0.06 -0.04 3.95 3.98 3h32B1 SER 232 HB3 0.02 0.00 0.16 -0.04 3.93 4.08 3h32B1 VAL 233 H 0.04 0.45 -0.54 -0.55 8.24 7.63 3h32B1 VAL 233 HA 0.05 0.05 0.63 -0.75 4.13 4.11 3h32B1 VAL 233 HB 0.06 -0.00 -0.22 -0.04 2.12 1.91 3h32B1 VAL 233 HG13 0.08 -0.03 -0.14 -0.04 0.97 0.84 3h32B1 VAL 233 HG23 0.11 0.05 -0.12 -0.04 0.95 0.95 3h32B1 LYS 234 H 0.06 0.05 0.07 -0.55 8.42 8.05 3h32B1 LYS 234 HA 0.05 0.07 0.43 -0.75 4.32 4.12 3h32B1 LYS 234 HB2 0.05 -0.06 0.12 -0.04 1.87 1.94 3h32B1 LYS 234 HB3 0.07 -0.07 0.14 -0.04 1.79 1.89 3h32B1 LYS 234 HG2 0.08 0.43 -0.20 -0.04 1.46 1.73 3h32B1 LYS 234 HG3 0.04 -0.06 0.05 -0.04 1.46 1.46 3h32B1 LYS 234 HD2 0.04 -0.07 0.02 -0.04 1.69 1.63 3h32B1 LYS 234 HD3 0.05 -0.05 -0.01 -0.04 1.68 1.64 3h32B1 LYS 234 HE2 0.03 -0.07 0.02 -0.04 2.99 2.93 3h32B1 LYS 234 HE3 0.06 0.11 0.04 -0.04 2.99 3.16 3h32B1 PRO 235 HA -0.05 0.20 0.69 -0.51 4.44 4.77 3h32B1 PRO 235 HB2 -0.01 -0.08 0.01 -0.04 2.28 2.16 3h32B1 PRO 235 HB3 -0.06 0.09 -0.07 -0.04 2.02 1.93 3h32B1 PRO 235 HG2 -0.01 -0.03 0.05 -0.04 2.03 2.00 3h32B1 PRO 235 HG3 -0.01 0.07 0.09 -0.04 2.03 2.14 3h32B1 PRO 235 HD2 0.03 0.01 0.22 -0.04 3.68 3.89 3h32B1 PRO 235 HD3 0.03 0.18 0.26 -0.04 3.65 4.08 3h32B1 TYR 236 H -0.50 0.43 0.37 -0.55 8.29 8.05 3h32B1 TYR 236 HA -0.01 0.10 0.91 -0.75 4.56 4.80 3h32B1 TYR 236 HB2 -0.02 -0.02 0.08 -0.04 3.06 3.05 3h32B1 TYR 236 HB3 -0.01 0.02 -0.03 -0.04 2.98 2.93 3h32B1 TYR 236 HD2 -0.01 0.34 0.01 -0.04 7.15 7.44 3h32B1 TYR 236 HE2 -0.01 -0.05 -0.00 -0.04 6.85 6.75 3h32B1 ARG 237 H 0.08 0.05 0.14 -0.55 8.46 8.17 3h32B1 ARG 237 HA -0.01 0.25 0.58 -0.75 4.34 4.41 3h32B1 ARG 237 HB2 -0.04 -0.05 0.07 -0.04 1.90 1.84 3h32B1 ARG 237 HB3 -0.02 0.05 0.10 -0.04 1.80 1.89 3h32B1 ARG 237 HG2 0.02 0.01 0.11 -0.04 1.67 1.77 3h32B1 ARG 237 HG3 0.02 -0.03 0.08 -0.04 1.67 1.69 3h32B1 ARG 237 HD2 -0.02 0.00 0.01 -0.04 3.22 3.18 3h32B1 ARG 237 HD3 -0.05 -0.05 -0.02 -0.04 3.22 3.07 3h32B1 VAL 238 H -0.00 0.32 0.26 -0.55 8.24 8.27 3h32B1 VAL 238 HA -0.03 -0.02 0.27 -0.75 4.13 3.59 3h32B1 VAL 238 HB 0.17 0.26 0.29 -0.04 2.12 2.80 3h32B1 VAL 238 HG13 0.03 -0.03 -0.45 -0.04 0.97 0.47 3h32B1 VAL 238 HG23 0.21 0.01 0.04 -0.04 0.95 1.16 3h32B1 TYR 239 H 0.33 0.25 0.15 -0.55 8.29 8.46 3h32B1 TYR 239 HA 0.09 0.14 0.96 -0.75 4.56 4.99 3h32B1 TYR 239 HB2 0.10 0.22 -0.05 -0.04 3.06 3.29 3h32B1 TYR 239 HB3 0.27 -0.11 0.09 -0.04 2.98 3.19 3h32B1 TYR 239 HD2 0.08 -0.02 -0.28 -0.04 7.15 6.88 3h32B1 TYR 239 HE2 0.04 -0.02 -0.44 -0.04 6.85 6.40 3h32B1 CYS 240 H -0.14 0.49 0.13 -0.55 8.50 8.43 3h32B1 CYS 240 HA 0.18 0.17 1.14 -0.75 4.58 5.31 3h32B1 CYS 240 HB2 0.30 0.13 0.05 -0.04 2.97 3.41 3h32B1 CYS 240 HB3 0.04 0.02 -0.16 -0.04 2.97 2.83 3h32B1 ASP 241 H 0.26 0.42 0.23 -0.55 8.40 8.77 3h32B1 ASP 241 HA 0.21 0.18 0.64 -0.75 4.63 4.91 3h32B1 ASP 241 HB2 0.27 0.05 0.07 -0.04 2.71 3.06 3h32B1 ASP 241 HB3 0.30 -0.06 0.19 -0.04 2.70 3.09 3h32B1 MET 242 H 0.12 0.24 0.12 -0.55 8.47 8.40 3h32B1 MET 242 HA 0.10 -0.08 1.02 -0.75 4.52 4.81 3h32B1 MET 242 HB2 0.08 0.05 0.01 -0.04 2.15 2.25 3h32B1 MET 242 HB3 0.04 0.13 0.09 -0.04 2.03 2.25 3h32B1 MET 242 HG2 0.10 0.02 -0.49 -0.04 2.63 2.22 3h32B1 MET 242 HG3 0.13 0.27 -0.16 -0.04 2.56 2.76 3h32B1 MET 242 HE3 -0.27 -0.01 -0.15 -0.04 2.10 1.62 3h32B1 ASN 243 H 0.15 -0.01 -0.18 -0.55 8.53 7.95 3h32B1 ASN 243 HA 0.07 0.18 0.29 -0.75 4.76 4.55 3h32B1 ASN 243 HB2 0.08 0.12 -0.34 -0.04 2.88 2.70 3h32B1 ASN 243 HB3 0.07 -0.08 -0.07 -0.04 2.79 2.67 3h32B1 ASN 243 HD21 0.03 -0.00 -0.04 -0.04 7.03 6.97 3h32B1 ASN 243 HD22 0.04 -0.05 -0.17 -0.04 7.74 7.52 3h32B1 THR 244 H 0.12 0.04 0.02 -0.55 8.28 7.91 3h32B1 THR 244 HA 0.05 0.06 0.42 -0.75 4.39 4.17 3h32B1 THR 244 HB 0.01 -0.02 0.08 -0.04 4.32 4.35 3h32B1 THR 244 HG23 -0.12 0.01 -0.16 -0.04 1.22 0.92 3h32B1 GLU 245 H 0.07 0.13 0.15 -0.55 8.60 8.40 3h32B1 GLU 245 HA 0.11 0.00 0.37 -0.75 4.29 4.02 3h32B1 GLU 245 HB2 0.07 -0.07 -0.10 -0.04 2.09 1.95 3h32B1 GLU 245 HB3 0.37 0.10 0.03 -0.04 1.99 2.45 3h32B1 GLU 245 HG2 0.27 0.06 -0.08 -0.04 2.34 2.55 3h32B1 GLU 245 HG3 0.12 0.00 -0.01 -0.04 2.34 2.41 3h32B1 ASN 246 H 0.10 0.10 -0.06 -0.55 8.53 8.13 3h32B1 ASN 246 HA 0.06 -0.02 0.30 -0.75 4.76 4.35 3h32B1 ASN 246 HB2 0.12 -0.11 -0.48 -0.04 2.88 2.36 3h32B1 ASN 246 HB3 0.04 0.19 0.10 -0.04 2.79 3.08 3h32B1 ASN 246 HD21 0.03 -0.01 -0.02 -0.04 7.03 6.98 3h32B1 ASN 246 HD22 0.05 -0.08 -0.07 -0.04 7.74 7.61 3h32B1 GLY 247 H 0.24 0.50 -1.09 -0.55 8.43 7.54 3h32B1 GLY 247 HA2 0.21 -0.24 0.09 -0.51 4.01 3.55 3h32B1 GLY 247 HA3 0.08 0.13 0.19 -0.51 4.01 3.90 3h32B1 GLY 248 H 0.11 0.59 0.45 -0.55 8.43 9.03 3h32B1 GLY 248 HA2 -0.05 0.04 0.17 -0.51 4.01 3.66 3h32B1 GLY 248 HA3 -0.13 0.21 0.80 -0.51 4.01 4.39 3h32B1 TRP 249 H 0.23 0.26 0.22 -0.55 7.97 8.13 3h32B1 TRP 249 HA 0.02 0.23 0.59 -0.75 4.62 4.70 3h32B1 TRP 249 HB2 0.04 -0.11 0.12 -0.04 3.23 3.24 3h32B1 TRP 249 HB3 0.02 -0.03 -0.13 -0.04 3.23 3.05 3h32B1 TRP 249 HD1 0.01 -0.07 -0.03 -0.04 7.22 7.09 3h32B1 TRP 249 HE1 0.01 0.31 0.04 -0.04 10.20 10.52 3h32B1 TRP 249 HE3 -0.01 -0.01 -0.56 -0.04 7.59 6.97 3h32B1 TRP 249 HZ2 0.05 -0.01 -0.13 -0.04 7.44 7.32 3h32B1 TRP 249 HZ3 -0.06 0.02 -0.34 -0.04 7.13 6.71 3h32B1 TRP 249 HH2 -0.15 -0.05 -0.25 -0.04 7.19 6.70 3h32B1 THR 250 H 0.21 0.84 0.33 -0.55 8.28 9.12 3h32B1 THR 250 HA 0.15 0.15 0.79 -0.75 4.39 4.73 3h32B1 THR 250 HB 0.11 -0.09 0.23 -0.04 4.32 4.54 3h32B1 THR 250 HG23 0.09 0.04 -0.03 -0.04 1.22 1.28 3h32B1 VAL 251 H 0.25 0.44 0.31 -0.55 8.24 8.69 3h32B1 VAL 251 HA 0.11 0.08 0.69 -0.75 4.13 4.26 3h32B1 VAL 251 HB 0.34 0.07 0.19 -0.04 2.12 2.67 3h32B1 VAL 251 HG13 -0.10 0.02 -0.15 -0.04 0.97 0.70 3h32B1 VAL 251 HG23 0.21 -0.01 0.00 -0.04 0.95 1.11 3h32B1 ILE 252 H -0.00 0.25 0.24 -0.55 8.25 8.18 3h32B1 ILE 252 HA -0.06 0.17 0.87 -0.75 4.18 4.40 3h32B1 ILE 252 HB 0.00 0.04 0.00 -0.04 1.89 1.90 3h32B1 ILE 252 HG12 -0.20 0.02 -0.04 -0.04 1.49 1.23 3h32B1 ILE 252 HG13 -0.61 -0.00 -0.03 -0.04 1.21 0.52 3h32B1 ILE 252 HG23 -0.00 -0.02 -0.20 -0.04 0.93 0.67 3h32B1 ILE 252 HD13 -0.19 0.00 0.02 -0.04 0.88 0.67 3h32B1 GLN 253 H -0.10 0.27 0.30 -0.55 8.47 8.39 3h32B1 GLN 253 HA -0.21 0.38 0.77 -0.75 4.36 4.55 3h32B1 GLN 253 HB2 0.34 0.12 -0.05 -0.04 2.15 2.51 3h32B1 GLN 253 HB3 0.21 -0.12 0.04 -0.04 2.02 2.11 3h32B1 GLN 253 HG2 0.35 0.13 0.22 -0.04 2.40 3.06 3h32B1 GLN 253 HG3 0.64 0.05 0.00 -0.04 2.39 3.04 3h32B1 GLN 253 HE21 -0.07 -0.09 -0.18 -0.04 6.97 6.59 3h32B1 GLN 253 HE22 -0.14 0.02 -0.08 -0.04 7.69 7.45 3h32B1 ASN 254 H -0.06 0.38 0.35 -0.55 8.53 8.66 3h32B1 ASN 254 HA -0.07 0.25 0.94 -0.75 4.76 5.13 3h32B1 ASN 254 HB2 -0.17 0.15 -0.04 -0.04 2.88 2.77 3h32B1 ASN 254 HB3 -0.19 -0.13 0.05 -0.04 2.79 2.48 3h32B1 ASN 254 HD21 -0.12 0.08 -0.08 -0.04 7.03 6.88 3h32B1 ASN 254 HD22 -0.10 -0.41 -0.00 -0.04 7.74 7.19 3h32B1 ARG 255 H -0.05 0.73 0.46 -0.55 8.46 9.05 3h32B1 ARG 255 HA -0.02 0.07 0.91 -0.75 4.34 4.54 3h32B1 ARG 255 HB2 0.00 -0.19 0.13 -0.04 1.90 1.80 3h32B1 ARG 255 HB3 0.06 -0.03 0.10 -0.04 1.80 1.89 3h32B1 ARG 255 HG2 -0.15 0.04 -0.28 -0.04 1.67 1.23 3h32B1 ARG 255 HG3 -0.18 -0.10 0.00 -0.04 1.67 1.35 3h32B1 ARG 255 HD2 -0.38 0.03 0.11 -0.04 3.22 2.95 3h32B1 ARG 255 HD3 -1.17 0.10 -0.01 -0.04 3.22 2.09 3h32B1 GLN 256 H -0.16 -0.29 0.28 -0.55 8.47 7.75 3h32B1 GLN 256 HA -0.05 0.39 0.68 -0.75 4.36 4.63 3h32B1 GLN 256 HB2 -0.12 0.07 0.10 -0.04 2.15 2.16 3h32B1 GLN 256 HB3 -0.09 0.17 -0.03 -0.04 2.02 2.03 3h32B1 GLN 256 HG2 -0.10 -0.18 -0.30 -0.04 2.40 1.78 3h32B1 GLN 256 HG3 -0.14 0.06 -0.22 -0.04 2.39 2.05 3h32B1 GLN 256 HE21 -0.08 0.03 -0.17 -0.04 6.97 6.72 3h32B1 GLN 256 HE22 -0.09 0.04 -0.16 -0.04 7.69 7.45 3h32B1 ASP 257 H -0.42 -0.40 0.30 -0.55 8.40 7.34 3h32B1 ASP 257 HA -0.86 0.25 0.52 -0.75 4.63 3.78 3h32B1 ASP 257 HB2 -0.32 0.06 0.14 -0.04 2.71 2.55 3h32B1 ASP 257 HB3 -0.26 0.18 -0.13 -0.04 2.70 2.45 3h32B1 GLY 258 H -0.48 -0.22 0.25 -0.55 8.43 7.43 3h32B1 GLY 258 HA2 -0.06 0.02 0.40 -0.51 4.01 3.87 3h32B1 GLY 258 HA3 -0.23 0.19 0.44 -0.51 4.01 3.90 3h32B1 SER 259 H -0.14 -0.09 -0.25 -0.55 8.46 7.44 3h32B1 SER 259 HA -0.08 0.12 0.29 -0.75 4.49 4.07 3h32B1 SER 259 HB2 -0.04 0.06 0.05 -0.04 3.95 3.97 3h32B1 SER 259 HB3 -0.09 -0.02 0.02 -0.04 3.93 3.79 3h32B1 VAL 260 H 0.08 -0.03 -0.57 -0.55 8.24 7.17 3h32B1 VAL 260 HA 0.03 0.18 0.77 -0.75 4.13 4.35 3h32B1 VAL 260 HB 0.00 0.03 -0.13 -0.04 2.12 1.99 3h32B1 VAL 260 HG13 0.01 0.01 -0.09 -0.04 0.97 0.86 3h32B1 VAL 260 HG23 0.03 -0.02 -0.09 -0.04 0.95 0.84 3h32B1 ASP 261 H 0.03 0.18 0.11 -0.55 8.40 8.17 3h32B1 ASP 261 HA 0.16 0.08 0.65 -0.75 4.63 4.77 3h32B1 ASP 261 HB2 0.01 0.07 0.09 -0.04 2.71 2.84 3h32B1 ASP 261 HB3 -0.03 0.01 0.10 -0.04 2.70 2.74 3h32B1 PHE 262 H 0.40 0.25 0.20 -0.55 8.34 8.64 3h32B1 PHE 262 HA 0.21 0.15 0.73 -0.75 4.62 4.96 3h32B1 PHE 262 HB2 0.08 0.15 0.01 -0.04 3.15 3.35 3h32B1 PHE 262 HB3 0.21 0.09 0.24 -0.04 3.06 3.55 3h32B1 PHE 262 HD2 0.14 0.10 0.05 -0.04 7.28 7.52 3h32B1 PHE 262 HE2 0.02 0.02 -0.03 -0.04 7.38 7.35 3h32B1 PHE 262 HZ -0.07 0.05 0.02 -0.04 7.32 7.27 3h32B1 GLY 263 H 0.02 0.02 -0.27 -0.55 8.43 7.65 3h32B1 GLY 263 HA2 -0.04 0.15 0.31 -0.51 4.01 3.91 3h32B1 GLY 263 HA3 -0.14 -0.02 0.23 -0.51 4.01 3.57 3h32B1 ARG 264 H -0.16 0.22 -0.83 -0.55 8.46 7.13 3h32B1 ARG 264 HA -0.05 0.10 0.53 -0.75 4.34 4.17 3h32B1 ARG 264 HB2 -0.75 0.07 -0.07 -0.04 1.90 1.10 3h32B1 ARG 264 HB3 -0.32 -0.12 0.06 -0.04 1.80 1.37 3h32B1 ARG 264 HG2 -0.36 -0.04 -0.14 -0.04 1.67 1.09 3h32B1 ARG 264 HG3 -0.94 0.12 -0.02 -0.04 1.67 0.79 3h32B1 ARG 264 HD2 -1.46 -0.00 -0.06 -0.04 3.22 1.66 3h32B1 ARG 264 HD3 -0.44 -0.05 -0.00 -0.04 3.22 2.68 3h32B1 LYS 265 H 0.12 0.08 0.07 -0.55 8.42 8.14 3h32B1 LYS 265 HA 0.39 0.06 0.30 -0.75 4.32 4.32 3h32B1 LYS 265 HB2 0.12 -0.00 0.07 -0.04 1.87 2.02 3h32B1 LYS 265 HB3 0.13 -0.20 0.20 -0.04 1.79 1.88 3h32B1 LYS 265 HG2 -0.11 0.07 -0.01 -0.04 1.46 1.37 3h32B1 LYS 265 HG3 0.15 0.02 0.06 -0.04 1.46 1.66 3h32B1 LYS 265 HD2 0.03 -0.01 0.04 -0.04 1.69 1.71 3h32B1 LYS 265 HD3 -0.02 0.00 0.05 -0.04 1.68 1.66 3h32B1 LYS 265 HE2 0.03 0.02 0.01 -0.04 2.99 3.01 3h32B1 LYS 265 HE3 -0.01 0.02 0.02 -0.04 2.99 2.97 3h32B1 TRP 266 H 0.33 0.12 0.10 -0.55 7.97 7.98 3h32B1 TRP 266 HA 0.17 0.22 0.53 -0.75 4.62 4.79 3h32B1 TRP 266 HB2 0.06 -0.02 0.03 -0.04 3.23 3.25 3h32B1 TRP 266 HB3 0.06 -0.02 0.11 -0.04 3.23 3.34 3h32B1 TRP 266 HD1 0.12 -0.06 -0.26 -0.04 7.22 6.98 3h32B1 TRP 266 HE1 0.18 -0.00 -0.08 -0.04 10.20 10.25 3h32B1 TRP 266 HE3 0.05 -0.09 -0.11 -0.04 7.59 7.40 3h32B1 TRP 266 HZ2 0.17 -0.03 -0.04 -0.04 7.44 7.51 3h32B1 TRP 266 HZ3 0.21 0.45 -0.05 -0.04 7.13 7.69 3h32B1 TRP 266 HH2 0.19 0.00 -0.06 -0.04 7.19 7.28 3h32B1 ASP 267 H 0.41 0.08 0.02 -0.55 8.40 8.37 3h32B1 ASP 267 HA 0.30 0.06 0.36 -0.75 4.63 4.60 3h32B1 ASP 267 HB2 0.25 0.01 0.13 -0.04 2.71 3.05 3h32B1 ASP 267 HB3 0.14 0.06 0.08 -0.04 2.70 2.94 3h32B1 PRO 268 HA 0.01 0.10 0.32 -0.51 4.44 4.37 3h32B1 PRO 268 HB2 -0.34 0.09 -0.16 -0.04 2.28 1.83 3h32B1 PRO 268 HB3 -0.25 0.09 0.02 -0.04 2.02 1.84 3h32B1 PRO 268 HG2 -0.06 -0.07 0.01 -0.04 2.03 1.87 3h32B1 PRO 268 HG3 -0.02 0.09 0.02 -0.04 2.03 2.08 3h32B1 PRO 268 HD2 0.12 0.08 -0.63 -0.04 3.68 3.20 3h32B1 PRO 268 HD3 0.10 0.03 0.00 -0.04 3.65 3.75 3h32B1 TYR 269 H 0.14 0.30 -0.88 -0.55 8.29 7.30 3h32B1 TYR 269 HA 0.23 0.11 0.56 -0.75 4.56 4.70 3h32B1 TYR 269 HB2 -0.06 0.19 0.15 -0.04 3.06 3.30 3h32B1 TYR 269 HB3 -0.02 -0.06 -0.01 -0.04 2.98 2.85 3h32B1 TYR 269 HD2 -0.52 0.25 0.01 -0.04 7.15 6.85 3h32B1 TYR 269 HE2 -0.47 0.07 0.14 -0.04 6.85 6.55 3h32B1 LYS 270 H -0.01 0.51 0.07 -0.55 8.42 8.43 3h32B1 LYS 270 HA -0.19 0.01 0.72 -0.75 4.32 4.10 3h32B1 LYS 270 HB2 -0.15 -0.00 0.06 -0.04 1.87 1.73 3h32B1 LYS 270 HB3 0.06 0.07 0.20 -0.04 1.79 2.07 3h32B1 LYS 270 HG2 0.09 0.03 -0.25 -0.04 1.46 1.29 3h32B1 LYS 270 HG3 0.21 -0.09 0.06 -0.04 1.46 1.59 3h32B1 LYS 270 HD2 0.38 -0.01 -0.01 -0.04 1.69 2.01 3h32B1 LYS 270 HD3 0.20 0.02 -0.02 -0.04 1.68 1.84 3h32B1 LYS 270 HE2 0.14 0.03 -0.02 -0.04 2.99 3.09 3h32B1 LYS 270 HE3 0.23 -0.07 0.01 -0.04 2.99 3.12 3h32B1 GLN 271 H 0.06 0.46 0.03 -0.55 8.47 8.48 3h32B1 GLN 271 HA 0.02 0.02 0.58 -0.75 4.36 4.22 3h32B1 GLN 271 HB2 0.06 0.06 0.08 -0.04 2.15 2.30 3h32B1 GLN 271 HB3 0.04 0.04 0.02 -0.04 2.02 2.07 3h32B1 GLN 271 HG2 0.08 -0.08 0.01 -0.04 2.40 2.37 3h32B1 GLN 271 HG3 0.06 -0.03 -0.04 -0.04 2.39 2.34 3h32B1 GLN 271 HE21 0.04 0.00 0.00 -0.04 6.97 6.98 3h32B1 GLN 271 HE22 0.05 -0.01 -0.01 -0.04 7.69 7.68 3h32B1 GLY 272 H 0.14 0.34 -0.15 -0.55 8.43 8.21 3h32B1 GLY 272 HA2 0.21 0.30 0.23 -0.51 4.01 4.24 3h32B1 GLY 272 HA3 0.03 0.03 0.77 -0.51 4.01 4.34 3h32B1 PHE 273 H 0.01 0.48 0.28 -0.55 8.34 8.56 3h32B1 PHE 273 HA -0.04 0.16 0.61 -0.75 4.62 4.59 3h32B1 PHE 273 HB2 -0.12 -0.08 0.15 -0.04 3.15 3.06 3h32B1 PHE 273 HB3 -0.11 0.12 -0.27 -0.04 3.06 2.75 3h32B1 PHE 273 HD2 -0.27 0.05 -0.14 -0.04 7.28 6.88 3h32B1 PHE 273 HE2 -1.10 0.03 -0.20 -0.04 7.38 6.06 3h32B1 PHE 273 HZ -0.78 -0.04 0.02 -0.04 7.32 6.47 3h32B1 GLY 274 H 0.12 0.14 0.15 -0.55 8.43 8.29 3h32B1 GLY 274 HA2 -0.05 0.01 0.31 -0.51 4.01 3.77 3h32B1 GLY 274 HA3 -0.20 0.14 0.90 -0.51 4.01 4.34 3h32B1 ASN 275 H 0.01 0.69 0.15 -0.55 8.53 8.85 3h32B1 ASN 275 HA -0.05 0.10 0.82 -0.75 4.76 4.87 3h32B1 ASN 275 HB2 -0.00 0.22 0.13 -0.04 2.88 3.19 3h32B1 ASN 275 HB3 -0.02 -0.01 -0.11 -0.04 2.79 2.60 3h32B1 ASN 275 HD21 -0.01 -0.01 -0.05 -0.04 7.03 6.92 3h32B1 ASN 275 HD22 -0.01 0.04 -0.03 -0.04 7.74 7.70 3h32B1 VAL 276 H -0.17 0.18 -0.06 -0.55 8.24 7.64 3h32B1 VAL 276 HA -0.89 -0.02 0.05 -0.75 4.13 2.52 3h32B1 VAL 276 HB -0.16 0.04 -0.23 -0.04 2.12 1.72 3h32B1 VAL 276 HG13 -0.57 -0.02 -0.20 -0.04 0.97 0.14 3h32B1 VAL 276 HG23 -0.13 0.01 -0.01 -0.04 0.95 0.78 3h32B1 ALA 277 H -0.05 0.15 -0.25 -0.55 8.40 7.70 3h32B1 ALA 277 HA 0.05 0.59 0.42 -0.75 4.34 4.64 3h32B1 ALA 277 HB3 0.15 0.04 -0.15 -0.04 1.41 1.40 3h32B1 THR 278 H 0.01 0.60 0.17 -0.55 8.28 8.51 3h32B1 THR 278 HA -0.03 0.12 0.84 -0.75 4.39 4.56 3h32B1 THR 278 HB -0.03 -0.11 0.14 -0.04 4.32 4.27 3h32B1 THR 278 HG23 -0.03 0.02 -0.12 -0.04 1.22 1.05 3h32B1 ASN 279 H -0.05 0.06 0.12 -0.55 8.53 8.12 3h32B1 ASN 279 HA -0.11 0.24 0.39 -0.75 4.76 4.53 3h32B1 ASN 279 HB2 -0.05 -0.08 0.06 -0.04 2.88 2.77 3h32B1 ASN 279 HB3 -0.07 -0.02 0.02 -0.04 2.79 2.68 3h32B1 ASN 279 HD21 -0.03 0.00 0.06 -0.04 7.03 7.03 3h32B1 ASN 279 HD22 -0.04 0.17 -0.06 -0.04 7.74 7.77 3h32B1 THR 280 H -0.17 0.50 0.12 -0.55 8.28 8.18 3h32B1 THR 280 HA -0.10 0.21 0.99 -0.75 4.39 4.74 3h32B1 THR 280 HB -0.29 0.01 0.24 -0.04 4.32 4.23 3h32B1 THR 280 HG23 -0.10 0.02 0.04 -0.04 1.22 1.14 3h32B1 ASP 281 H -0.05 0.21 -0.23 -0.55 8.40 7.78 3h32B1 ASP 281 HA -0.03 0.02 0.33 -0.75 4.63 4.20 3h32B1 ASP 281 HB2 -0.02 0.09 -0.09 -0.04 2.71 2.65 3h32B1 ASP 281 HB3 -0.01 0.02 0.12 -0.04 2.70 2.78 3h32B1 GLY 282 H -0.03 0.09 -0.08 -0.55 8.43 7.87 3h32B1 GLY 282 HA2 -0.01 -0.00 0.34 -0.51 4.01 3.83 3h32B1 GLY 282 HA3 -0.01 0.19 0.72 -0.51 4.01 4.40 3h32B1 LYS 283 H -0.03 0.47 -0.49 -0.55 8.42 7.81 3h32B1 LYS 283 HA 0.05 0.00 0.48 -0.75 4.32 4.10 3h32B1 LYS 283 HB2 -0.11 0.12 0.15 -0.04 1.87 1.99 3h32B1 LYS 283 HB3 0.11 -0.10 0.02 -0.04 1.79 1.77 3h32B1 LYS 283 HG2 0.14 -0.05 0.06 -0.04 1.46 1.58 3h32B1 LYS 283 HG3 0.04 0.04 0.06 -0.04 1.46 1.57 3h32B1 LYS 283 HD2 0.01 0.12 0.09 -0.04 1.69 1.87 3h32B1 LYS 283 HD3 0.24 -0.06 0.03 -0.04 1.68 1.85 3h32B1 LYS 283 HE2 0.09 -0.03 0.02 -0.04 2.99 3.03 3h32B1 LYS 283 HE3 0.05 0.03 0.04 -0.04 2.99 3.07 3h32B1 ASN 284 H 0.09 0.10 0.21 -0.55 8.53 8.37 3h32B1 ASN 284 HA 0.02 0.08 0.36 -0.75 4.76 4.47 3h32B1 ASN 284 HB2 0.05 0.01 0.03 -0.04 2.88 2.92 3h32B1 ASN 284 HB3 0.04 0.02 0.15 -0.04 2.79 2.96 3h32B1 ASN 284 HD21 0.05 0.01 0.04 -0.04 7.03 7.09 3h32B1 ASN 284 HD22 0.05 0.04 0.09 -0.04 7.74 7.87 3h32B1 TYR 285 H 0.44 -0.03 -0.21 -0.55 8.29 7.93 3h32B1 TYR 285 HA -0.05 0.13 0.82 -0.75 4.56 4.70 3h32B1 TYR 285 HB2 -0.09 0.07 0.08 -0.04 3.06 3.08 3h32B1 TYR 285 HB3 -0.06 -0.00 0.02 -0.04 2.98 2.90 3h32B1 TYR 285 HD2 -0.07 -0.02 -0.12 -0.04 7.15 6.90 3h32B1 TYR 285 HE2 -0.03 -0.00 -0.08 -0.04 6.85 6.69 3h32B1 CYS 286 H -0.01 0.21 0.06 -0.55 8.50 8.22 3h32B1 CYS 286 HA -0.18 0.12 0.81 -0.75 4.58 4.57 3h32B1 CYS 286 HB2 -0.05 -0.05 0.03 -0.04 2.97 2.86 3h32B1 CYS 286 HB3 -0.03 0.13 -0.26 -0.04 2.97 2.77 3h32B1 GLY 287 H -0.32 0.10 0.03 -0.55 8.43 7.69 3h32B1 GLY 287 HA2 -0.05 0.10 0.73 -0.51 4.01 4.28 3h32B1 GLY 287 HA3 -0.14 -0.05 0.24 -0.51 4.01 3.54 3h32B1 LEU 288 H -0.04 0.08 0.02 -0.55 8.37 7.88 3h32B1 LEU 288 HA 0.07 0.07 0.49 -0.75 4.35 4.23 3h32B1 LEU 288 HB2 -0.02 0.15 0.03 -0.04 1.64 1.75 3h32B1 LEU 288 HB3 -0.02 -0.02 -0.10 -0.04 1.64 1.45 3h32B1 LEU 288 HG -0.03 -0.09 0.03 -0.04 1.64 1.51 3h32B1 LEU 288 HD13 -0.04 0.07 0.04 -0.04 0.93 0.97 3h32B1 LEU 288 HD23 -0.01 -0.00 -0.01 -0.04 0.89 0.82 3h32B1 PRO 289 HA -0.49 0.22 0.33 -0.51 4.44 3.98 3h32B1 PRO 289 HB2 -0.25 -0.34 0.19 -0.04 2.28 1.84 3h32B1 PRO 289 HB3 -0.68 0.07 0.10 -0.04 2.02 1.48 3h32B1 PRO 289 HG2 -0.11 0.00 -0.04 -0.04 2.03 1.84 3h32B1 PRO 289 HG3 -0.15 0.04 0.04 -0.04 2.03 1.92 3h32B1 PRO 289 HD2 -0.04 0.05 0.15 -0.04 3.68 3.81 3h32B1 PRO 289 HD3 -0.05 0.20 0.19 -0.04 3.65 3.95 3h32B1 GLY 290 H -0.08 -0.13 0.07 -0.55 8.43 7.74 3h32B1 GLY 290 HA2 -0.03 -0.06 0.15 -0.51 4.01 3.55 3h32B1 GLY 290 HA3 0.00 0.29 0.61 -0.51 4.01 4.40 3h32B1 GLU 291 H 0.01 -0.12 0.02 -0.55 8.60 7.97 3h32B1 GLU 291 HA 0.03 0.13 0.46 -0.75 4.29 4.16 3h32B1 GLU 291 HB2 0.07 0.20 0.21 -0.04 2.09 2.53 3h32B1 GLU 291 HB3 0.27 0.05 0.13 -0.04 1.99 2.40 3h32B1 GLU 291 HG2 -0.01 0.03 -0.12 -0.04 2.34 2.20 3h32B1 GLU 291 HG3 -0.04 -0.00 -0.31 -0.04 2.34 1.95 3h32B1 TYR 292 H -0.08 0.20 0.33 -0.55 8.29 8.19 3h32B1 TYR 292 HA -0.43 0.08 0.51 -0.75 4.56 3.97 3h32B1 TYR 292 HB2 -0.19 0.20 -0.06 -0.04 3.06 2.97 3h32B1 TYR 292 HB3 -0.11 0.19 -0.69 -0.04 2.98 2.33 3h32B1 TYR 292 HD2 -0.08 0.02 -0.46 -0.04 7.15 6.58 3h32B1 TYR 292 HE2 -0.04 0.03 -0.11 -0.04 6.85 6.69 3h32B1 TRP 293 H -0.07 0.66 0.15 -0.55 7.97 8.16 3h32B1 TRP 293 HA -0.14 0.22 0.86 -0.75 4.62 4.82 3h32B1 TRP 293 HB2 -0.16 -0.03 -0.01 -0.04 3.23 2.99 3h32B1 TRP 293 HB3 -0.72 -0.08 0.16 -0.04 3.23 2.56 3h32B1 TRP 293 HD1 0.05 -0.13 0.04 -0.04 7.22 7.15 3h32B1 TRP 293 HE1 -0.13 0.04 0.09 -0.04 10.20 10.16 3h32B1 TRP 293 HE3 0.16 -0.07 0.11 -0.04 7.59 7.75 3h32B1 TRP 293 HZ2 -0.48 -0.02 -0.05 -0.04 7.44 6.85 3h32B1 TRP 293 HZ3 0.30 -0.11 -0.06 -0.04 7.13 7.22 3h32B1 TRP 293 HH2 0.23 -0.04 -0.06 -0.04 7.19 7.28 3h32B1 LEU 294 H -0.21 0.35 0.14 -0.55 8.37 8.11 3h32B1 LEU 294 HA -0.02 0.02 0.41 -0.75 4.35 4.01 3h32B1 LEU 294 HB2 0.17 0.02 0.15 -0.04 1.64 1.94 3h32B1 LEU 294 HB3 -0.24 0.00 0.09 -0.04 1.64 1.45 3h32B1 LEU 294 HG -0.21 0.00 0.01 -0.04 1.64 1.40 3h32B1 LEU 294 HD13 -0.13 0.00 0.09 -0.04 0.93 0.85 3h32B1 LEU 294 HD23 0.14 0.01 0.00 -0.04 0.89 1.00 3h32B1 GLY 295 H -0.20 0.12 0.14 -0.55 8.43 7.94 3h32B1 GLY 295 HA2 -0.04 0.06 -0.18 -0.51 4.01 3.34 3h32B1 GLY 295 HA3 -0.15 0.04 0.27 -0.51 4.01 3.66 3h32B1 ASN 296 H -0.03 0.39 0.22 -0.55 8.53 8.56 3h32B1 ASN 296 HA -0.21 0.06 0.39 -0.75 4.76 4.24 3h32B1 ASN 296 HB2 -0.51 -0.08 0.29 -0.04 2.88 2.55 3h32B1 ASN 296 HB3 -1.27 -0.06 -0.03 -0.04 2.79 1.38 3h32B1 ASN 296 HD21 -1.35 -0.01 -0.09 -0.04 7.03 5.54 3h32B1 ASN 296 HD22 -1.34 -0.11 -0.12 -0.04 7.74 6.12 3h32B1 ASP 297 H -0.04 0.34 -0.03 -0.55 8.40 8.12 3h32B1 ASP 297 HA 0.18 -0.03 0.35 -0.75 4.63 4.37 3h32B1 ASP 297 HB2 0.01 0.08 0.05 -0.04 2.71 2.82 3h32B1 ASP 297 HB3 0.05 0.01 0.02 -0.04 2.70 2.74 3h32B1 LYS 298 H -0.12 0.25 -0.51 -0.55 8.42 7.49 3h32B1 LYS 298 HA -0.05 0.04 0.51 -0.75 4.32 4.06 3h32B1 LYS 298 HB2 -0.24 0.14 0.13 -0.04 1.87 1.86 3h32B1 LYS 298 HB3 -0.19 0.00 0.03 -0.04 1.79 1.59 3h32B1 LYS 298 HG2 -0.39 0.03 0.01 -0.04 1.46 1.07 3h32B1 LYS 298 HG3 -0.25 -0.09 0.03 -0.04 1.46 1.11 3h32B1 LYS 298 HD2 -0.53 -0.16 0.13 -0.04 1.69 1.08 3h32B1 LYS 298 HD3 -1.98 0.07 0.05 -0.04 1.68 -0.22 3h32B1 LYS 298 HE2 -0.47 0.05 0.04 -0.04 2.99 2.56 3h32B1 LYS 298 HE3 -0.27 0.02 0.11 -0.04 2.99 2.81 3h32B1 ILE 299 H -0.16 0.70 0.03 -0.55 8.25 8.27 3h32B1 ILE 299 HA -0.11 -0.05 0.27 -0.75 4.18 3.54 3h32B1 ILE 299 HB -0.11 0.09 0.10 -0.04 1.89 1.92 3h32B1 ILE 299 HG12 -0.33 -0.12 -0.10 -0.04 1.49 0.90 3h32B1 ILE 299 HG13 -0.27 0.53 -0.09 -0.04 1.21 1.35 3h32B1 ILE 299 HG23 -0.13 -0.04 -0.05 -0.04 0.93 0.68 3h32B1 ILE 299 HD13 -0.75 0.06 -0.17 -0.04 0.88 -0.02 3h32B1 SER 300 H -0.02 0.56 -0.32 -0.55 8.46 8.14 3h32B1 SER 300 HA -0.06 0.06 0.49 -0.75 4.49 4.23 3h32B1 SER 300 HB2 0.10 0.21 -0.24 -0.04 3.95 3.97 3h32B1 SER 300 HB3 0.19 -0.02 -0.05 -0.04 3.93 4.02 3h32B1 GLN 301 H 0.01 0.52 -0.06 -0.55 8.47 8.39 3h32B1 GLN 301 HA 0.01 -0.04 0.36 -0.75 4.36 3.93 3h32B1 GLN 301 HB2 0.02 0.02 0.18 -0.04 2.15 2.33 3h32B1 GLN 301 HB3 0.02 0.03 0.20 -0.04 2.02 2.22 3h32B1 GLN 301 HG2 0.02 -0.01 -0.02 -0.04 2.40 2.35 3h32B1 GLN 301 HG3 0.03 -0.07 -0.04 -0.04 2.39 2.26 3h32B1 GLN 301 HE21 0.05 -0.02 -0.40 -0.04 6.97 6.55 3h32B1 GLN 301 HE22 0.03 -0.06 -0.16 -0.04 7.69 7.45 3h32B1 LEU 302 H -0.02 0.87 -0.16 -0.55 8.37 8.51 3h32B1 LEU 302 HA -0.00 0.00 0.32 -0.75 4.35 3.92 3h32B1 LEU 302 HB2 -0.04 0.18 0.05 -0.04 1.64 1.79 3h32B1 LEU 302 HB3 -0.04 -0.04 -0.08 -0.04 1.64 1.44 3h32B1 LEU 302 HG 0.02 -0.04 -0.00 -0.04 1.64 1.58 3h32B1 LEU 302 HD13 0.11 -0.00 -0.05 -0.04 0.93 0.95 3h32B1 LEU 302 HD23 0.05 -0.03 -0.07 -0.04 0.89 0.79 3h32B1 THR 303 H -0.12 0.41 -0.13 -0.55 8.28 7.88 3h32B1 THR 303 HA -0.12 0.07 0.37 -0.75 4.39 3.96 3h32B1 THR 303 HB -0.28 0.06 0.09 -0.04 4.32 4.15 3h32B1 THR 303 HG23 -0.51 -0.01 -0.02 -0.04 1.22 0.64 3h32B1 ARG 304 H -0.06 0.61 -0.23 -0.55 8.46 8.23 3h32B1 ARG 304 HA -0.04 0.05 0.58 -0.75 4.34 4.17 3h32B1 ARG 304 HB2 -0.02 0.16 0.07 -0.04 1.90 2.07 3h32B1 ARG 304 HB3 -0.01 -0.12 0.17 -0.04 1.80 1.81 3h32B1 ARG 304 HG2 -0.02 -0.06 -0.08 -0.04 1.67 1.47 3h32B1 ARG 304 HG3 -0.03 0.14 -0.14 -0.04 1.67 1.60 3h32B1 ARG 304 HD2 0.00 -0.03 -0.00 -0.04 3.22 3.15 3h32B1 ARG 304 HD3 0.01 -0.16 -0.05 -0.04 3.22 2.97 3h32B1 MET 305 H -0.03 0.39 -0.78 -0.55 8.47 7.50 3h32B1 MET 305 HA -0.00 0.04 0.80 -0.75 4.52 4.60 3h32B1 MET 305 HB2 -0.01 0.16 0.19 -0.04 2.15 2.45 3h32B1 MET 305 HB3 0.00 -0.12 0.19 -0.04 2.03 2.07 3h32B1 MET 305 HG2 0.00 -0.01 -0.01 -0.04 2.63 2.57 3h32B1 MET 305 HG3 0.00 0.19 -0.18 -0.04 2.56 2.53 3h32B1 MET 305 HE3 0.01 -0.03 0.04 -0.04 2.10 2.07 3h32B1 GLY 306 H -0.02 0.09 -0.13 -0.55 8.43 7.83 3h32B1 GLY 306 HA2 -0.03 -0.08 0.37 -0.51 4.01 3.77 3h32B1 GLY 306 HA3 -0.04 0.20 0.95 -0.51 4.01 4.60 3h32B1 PRO 307 HA 0.01 0.12 0.56 -0.51 4.44 4.63 3h32B1 PRO 307 HB2 0.26 0.02 0.15 -0.04 2.28 2.67 3h32B1 PRO 307 HB3 0.04 0.03 0.19 -0.04 2.02 2.25 3h32B1 PRO 307 HG2 -0.50 -0.14 0.13 -0.04 2.03 1.48 3h32B1 PRO 307 HG3 -0.40 0.01 0.13 -0.04 2.03 1.73 3h32B1 PRO 307 HD2 -0.21 0.12 0.27 -0.04 3.68 3.81 3h32B1 PRO 307 HD3 -0.08 0.11 0.21 -0.04 3.65 3.85 3h32B1 THR 308 H 0.01 0.21 0.31 -0.55 8.28 8.26 3h32B1 THR 308 HA -0.05 0.10 0.75 -0.75 4.39 4.44 3h32B1 THR 308 HB -0.03 0.08 0.03 -0.04 4.32 4.35 3h32B1 THR 308 HG23 0.03 0.03 0.02 -0.04 1.22 1.26 3h32B1 GLU 309 H 0.03 0.50 0.28 -0.55 8.60 8.86 3h32B1 GLU 309 HA 0.06 0.35 0.97 -0.75 4.29 4.91 3h32B1 GLU 309 HB2 0.25 -0.12 -0.08 -0.04 2.09 2.09 3h32B1 GLU 309 HB3 -0.24 -0.09 -0.01 -0.04 1.99 1.61 3h32B1 GLU 309 HG2 -0.08 0.06 -0.24 -0.04 2.34 2.04 3h32B1 GLU 309 HG3 0.05 -0.03 -0.10 -0.04 2.34 2.21 3h32B1 LEU 310 H 0.21 0.20 0.16 -0.55 8.37 8.39 3h32B1 LEU 310 HA 0.24 0.32 0.94 -0.75 4.35 5.10 3h32B1 LEU 310 HB2 0.10 0.07 -0.16 -0.04 1.64 1.60 3h32B1 LEU 310 HB3 -0.08 -0.02 0.01 -0.04 1.64 1.51 3h32B1 LEU 310 HG -0.12 -0.06 -0.38 -0.04 1.64 1.05 3h32B1 LEU 310 HD13 0.02 -0.03 0.09 -0.04 0.93 0.96 3h32B1 LEU 310 HD23 -0.78 -0.01 -0.12 -0.04 0.89 -0.06 3h32B1 LEU 311 H -0.24 0.55 0.36 -0.55 8.37 8.49 3h32B1 LEU 311 HA -0.48 0.34 1.10 -0.75 4.35 4.56 3h32B1 LEU 311 HB2 -1.55 0.03 -0.06 -0.04 1.64 0.02 3h32B1 LEU 311 HB3 -1.49 0.03 0.11 -0.04 1.64 0.24 3h32B1 LEU 311 HG -0.54 -0.08 -0.36 -0.04 1.64 0.61 3h32B1 LEU 311 HD13 -0.45 0.02 -0.09 -0.04 0.93 0.37 3h32B1 LEU 311 HD23 -0.99 0.00 -0.12 -0.04 0.89 -0.26 3h32B1 ILE 312 H -0.22 0.49 0.24 -0.55 8.25 8.21 3h32B1 ILE 312 HA -0.13 0.44 1.30 -0.75 4.18 5.03 3h32B1 ILE 312 HB -0.06 -0.14 0.22 -0.04 1.89 1.88 3h32B1 ILE 312 HG12 0.15 -0.00 -0.08 -0.04 1.49 1.51 3h32B1 ILE 312 HG13 -0.03 0.02 -0.59 -0.04 1.21 0.57 3h32B1 ILE 312 HG23 0.16 0.02 -0.06 -0.04 0.93 1.01 3h32B1 ILE 312 HD13 0.14 0.01 -0.19 -0.04 0.88 0.80 3h32B1 GLU 313 H -0.23 0.15 0.09 -0.55 8.60 8.06 3h32B1 GLU 313 HA -0.30 0.19 0.93 -0.75 4.29 4.36 3h32B1 GLU 313 HB2 -0.22 0.06 0.20 -0.04 2.09 2.09 3h32B1 GLU 313 HB3 -0.26 -0.06 0.08 -0.04 1.99 1.71 3h32B1 GLU 313 HG2 -0.20 -0.02 0.02 -0.04 2.34 2.10 3h32B1 GLU 313 HG3 -0.15 0.02 -0.24 -0.04 2.34 1.92 3h32B1 MET 314 H -0.27 0.47 0.46 -0.55 8.47 8.58 3h32B1 MET 314 HA -0.10 0.40 0.70 -0.75 4.52 4.77 3h32B1 MET 314 HB2 0.00 -0.05 0.21 -0.04 2.15 2.27 3h32B1 MET 314 HB3 -0.11 0.07 -0.24 -0.04 2.03 1.71 3h32B1 MET 314 HG2 -0.35 -0.02 -0.19 -0.04 2.63 2.03 3h32B1 MET 314 HG3 0.09 -0.06 -0.27 -0.04 2.56 2.28 3h32B1 MET 314 HE3 -0.56 0.00 -0.13 -0.04 2.10 1.37 3h32B1 GLU 315 H -0.01 0.24 0.37 -0.55 8.60 8.65 3h32B1 GLU 315 HA 0.00 0.21 0.88 -0.75 4.29 4.63 3h32B1 GLU 315 HB2 0.03 0.14 -0.03 -0.04 2.09 2.19 3h32B1 GLU 315 HB3 -0.08 0.00 -0.07 -0.04 1.99 1.80 3h32B1 GLU 315 HG2 -0.08 -0.07 0.02 -0.04 2.34 2.17 3h32B1 GLU 315 HG3 -0.09 -0.04 0.04 -0.04 2.34 2.20 3h32B1 ASP 316 H 0.60 0.32 0.12 -0.55 8.40 8.89 3h32B1 ASP 316 HA 0.53 0.11 0.44 -0.75 4.63 4.96 3h32B1 ASP 316 HB2 0.39 -0.08 0.19 -0.04 2.71 3.17 3h32B1 ASP 316 HB3 0.03 0.08 0.07 -0.04 2.70 2.85 3h32B1 TRP 317 H 0.79 0.22 0.10 -0.55 7.97 8.53 3h32B1 TRP 317 HA 0.17 0.23 0.74 -0.75 4.62 5.00 3h32B1 TRP 317 HB2 0.19 0.05 0.12 -0.04 3.23 3.55 3h32B1 TRP 317 HB3 0.15 0.00 0.19 -0.04 3.23 3.53 3h32B1 TRP 317 HD1 0.11 -0.16 -0.08 -0.04 7.22 7.05 3h32B1 TRP 317 HE1 -0.19 0.60 -0.33 -0.04 10.20 10.24 3h32B1 TRP 317 HE3 0.23 -0.00 0.04 -0.04 7.59 7.81 3h32B1 TRP 317 HZ2 -0.36 0.23 -0.04 -0.04 7.44 7.23 3h32B1 TRP 317 HZ3 0.52 -0.00 0.04 -0.04 7.13 7.64 3h32B1 TRP 317 HH2 0.19 0.00 -0.02 -0.04 7.19 7.32 3h32B1 LYS 318 H 0.26 -0.11 -0.39 -0.55 8.42 7.62 3h32B1 LYS 318 HA 0.17 0.25 0.78 -0.75 4.32 4.76 3h32B1 LYS 318 HB2 0.14 0.03 0.00 -0.04 1.87 2.01 3h32B1 LYS 318 HB3 0.15 -0.09 0.02 -0.04 1.79 1.83 3h32B1 LYS 318 HG2 0.10 0.00 0.07 -0.04 1.46 1.59 3h32B1 LYS 318 HG3 0.09 0.06 0.07 -0.04 1.46 1.64 3h32B1 LYS 318 HD2 0.09 -0.07 -0.01 -0.04 1.69 1.66 3h32B1 LYS 318 HD3 0.05 0.04 0.01 -0.04 1.68 1.74 3h32B1 LYS 318 HE2 0.00 -0.05 0.00 -0.04 2.99 2.90 3h32B1 LYS 318 HE3 -0.01 0.03 0.00 -0.04 2.99 2.97 3h32B1 GLY 319 H 0.15 0.03 -0.30 -0.55 8.43 7.76 3h32B1 GLY 319 HA2 0.05 0.08 0.25 -0.51 4.01 3.88 3h32B1 GLY 319 HA3 0.07 0.24 0.82 -0.51 4.01 4.64 3h32B1 ASP 320 H 0.15 0.10 -0.32 -0.55 8.40 7.78 3h32B1 ASP 320 HA 0.10 0.03 0.36 -0.75 4.63 4.37 3h32B1 ASP 320 HB2 0.40 -0.14 0.07 -0.04 2.71 3.01 3h32B1 ASP 320 HB3 0.53 0.08 -0.03 -0.04 2.70 3.25 3h32B1 LYS 321 H -0.05 0.12 0.27 -0.55 8.42 8.20 3h32B1 LYS 321 HA -0.32 0.30 1.33 -0.75 4.32 4.87 3h32B1 LYS 321 HB2 -0.12 -0.08 0.15 -0.04 1.87 1.79 3h32B1 LYS 321 HB3 -0.20 -0.00 0.12 -0.04 1.79 1.67 3h32B1 LYS 321 HG2 -0.13 0.04 -0.03 -0.04 1.46 1.30 3h32B1 LYS 321 HG3 -0.06 0.21 -0.05 -0.04 1.46 1.52 3h32B1 LYS 321 HD2 -0.07 -0.03 0.00 -0.04 1.69 1.54 3h32B1 LYS 321 HD3 -0.12 -0.04 0.00 -0.04 1.68 1.48 3h32B1 LYS 321 HE2 -0.08 -0.01 -0.06 -0.04 2.99 2.80 3h32B1 LYS 321 HE3 -0.05 0.03 -0.02 -0.04 2.99 2.91 3h32B1 VAL 322 H -0.55 0.52 0.46 -0.55 8.24 8.12 3h32B1 VAL 322 HA -0.38 0.10 0.71 -0.75 4.13 3.81 3h32B1 VAL 322 HB -0.64 0.13 0.39 -0.04 2.12 1.96 3h32B1 VAL 322 HG13 -0.56 0.00 0.01 -0.04 0.97 0.38 3h32B1 VAL 322 HG23 -1.84 -0.03 -0.09 -0.04 0.95 -1.05 3h32B1 LYS 323 H -0.37 0.50 0.30 -0.55 8.42 8.29 3h32B1 LYS 323 HA -0.44 0.25 0.53 -0.75 4.32 3.91 3h32B1 LYS 323 HB2 -0.29 -0.06 -0.18 -0.04 1.87 1.30 3h32B1 LYS 323 HB3 -0.29 0.16 0.00 -0.04 1.79 1.62 3h32B1 LYS 323 HG2 -0.21 0.02 -0.20 -0.04 1.46 1.04 3h32B1 LYS 323 HG3 -0.22 -0.08 -0.18 -0.04 1.46 0.93 3h32B1 LYS 323 HD2 -0.18 -0.05 -0.75 -0.04 1.69 0.67 3h32B1 LYS 323 HD3 -0.21 0.06 -0.35 -0.04 1.68 1.15 3h32B1 LYS 323 HE2 -0.11 -0.06 -0.07 -0.04 2.99 2.71 3h32B1 LYS 323 HE3 -0.02 0.00 -0.17 -0.04 2.99 2.76 3h32B1 ALA 324 H -0.27 0.32 0.15 -0.55 8.40 8.05 3h32B1 ALA 324 HA -0.12 0.24 0.83 -0.75 4.34 4.53 3h32B1 ALA 324 HB3 0.18 0.00 -0.05 -0.04 1.41 1.51 3h32B1 HIS 325 H -0.27 0.35 0.13 -0.55 8.41 8.06 3h32B1 HIS 325 HA -0.04 0.45 1.09 -0.75 4.63 5.38 3h32B1 HIS 325 HB2 -0.20 -0.10 -0.28 -0.04 3.26 2.64 3h32B1 HIS 325 HB3 -0.23 -0.03 -0.06 -0.04 3.20 2.84 3h32B1 HIS 325 HD2 -0.05 -0.06 -0.13 -0.04 6.97 6.69 3h32B1 HIS 325 HE1 0.29 0.05 -0.16 -0.04 7.75 7.88 3h32B1 TYR 326 H 0.29 0.54 0.26 -0.55 8.29 8.82 3h32B1 TYR 326 HA 0.06 0.52 0.98 -0.75 4.56 5.37 3h32B1 TYR 326 HB2 -0.04 -0.09 0.14 -0.04 3.06 3.03 3h32B1 TYR 326 HB3 0.01 0.28 0.10 -0.04 2.98 3.33 3h32B1 TYR 326 HD2 0.04 0.07 -0.37 -0.04 7.15 6.84 3h32B1 TYR 326 HE2 0.18 -0.05 -0.22 -0.04 6.85 6.73 3h32B1 GLY 327 H -0.03 0.40 0.16 -0.55 8.43 8.42 3h32B1 GLY 327 HA2 -0.27 -0.01 0.43 -0.51 4.01 3.64 3h32B1 GLY 327 HA3 -0.43 -0.02 0.39 -0.51 4.01 3.44 3h32B1 GLY 328 H 0.09 0.14 -1.25 -0.55 8.43 6.87 3h32B1 GLY 328 HA2 0.01 0.15 0.80 -0.51 4.01 4.47 3h32B1 GLY 328 HA3 0.07 -0.12 0.27 -0.51 4.01 3.72 3h32B1 PHE 329 H 0.11 0.38 0.14 -0.55 8.34 8.42 3h32B1 PHE 329 HA -0.09 0.05 0.65 -0.75 4.62 4.48 3h32B1 PHE 329 HB2 -0.02 0.03 -0.31 -0.04 3.15 2.80 3h32B1 PHE 329 HB3 -0.04 0.03 -0.23 -0.04 3.06 2.78 3h32B1 PHE 329 HD2 -0.12 -0.02 -0.12 -0.04 7.28 6.98 3h32B1 PHE 329 HE2 -0.30 -0.01 -0.15 -0.04 7.38 6.88 3h32B1 PHE 329 HZ -0.26 0.02 -0.12 -0.04 7.32 6.91 3h32B1 THR 330 H 0.13 0.12 -0.13 -0.55 8.28 7.85 3h32B1 THR 330 HA -0.37 0.10 0.51 -0.75 4.39 3.87 3h32B1 THR 330 HB -0.08 0.18 -0.04 -0.04 4.32 4.35 3h32B1 THR 330 HG23 0.01 -0.06 -0.15 -0.04 1.22 0.99 3h32B1 VAL 331 H -0.36 0.21 0.02 -0.55 8.24 7.55 3h32B1 VAL 331 HA -0.05 0.30 0.79 -0.75 4.13 4.41 3h32B1 VAL 331 HB 0.17 0.13 -0.07 -0.04 2.12 2.31 3h32B1 VAL 331 HG13 -0.22 -0.02 -0.10 -0.04 0.97 0.60 3h32B1 VAL 331 HG23 -0.13 -0.05 -0.09 -0.04 0.95 0.63 3h32B1 GLN 332 H 0.08 0.17 -0.00 -0.55 8.47 8.17 3h32B1 GLN 332 HA 0.03 0.07 0.29 -0.75 4.36 4.00 3h32B1 GLN 332 HB2 0.09 -0.03 0.06 -0.04 2.15 2.22 3h32B1 GLN 332 HB3 0.03 -0.10 0.13 -0.04 2.02 2.05 3h32B1 GLN 332 HG2 0.07 0.03 0.04 -0.04 2.40 2.50 3h32B1 GLN 332 HG3 0.08 0.03 0.04 -0.04 2.39 2.50 3h32B1 GLN 332 HE21 0.01 0.02 -0.09 -0.04 6.97 6.87 3h32B1 GLN 332 HE22 0.03 0.03 -0.07 -0.04 7.69 7.64 3h32B1 ASN 333 H 0.02 0.09 0.12 -0.55 8.53 8.21 3h32B1 ASN 333 HA 0.09 0.20 0.49 -0.75 4.76 4.79 3h32B1 ASN 333 HB2 0.01 -0.05 0.11 -0.04 2.88 2.92 3h32B1 ASN 333 HB3 0.03 0.15 0.09 -0.04 2.79 3.01 3h32B1 ASN 333 HD21 -0.00 0.06 -0.00 -0.04 7.03 7.04 3h32B1 ASN 333 HD22 0.00 0.05 0.01 -0.04 7.74 7.76 3h32B1 GLU 334 H -0.07 0.20 0.12 -0.55 8.60 8.30 3h32B1 GLU 334 HA -1.30 0.07 0.22 -0.75 4.29 2.53 3h32B1 GLU 334 HB2 0.09 0.02 0.12 -0.04 2.09 2.28 3h32B1 GLU 334 HB3 0.02 0.00 0.03 -0.04 1.99 2.00 3h32B1 GLU 334 HG2 0.18 0.02 -0.06 -0.04 2.34 2.44 3h32B1 GLU 334 HG3 0.52 0.01 0.01 -0.04 2.34 2.84 3h32B1 ALA 335 H -0.07 0.03 -0.44 -0.55 8.40 7.37 3h32B1 ALA 335 HA -0.05 0.05 0.34 -0.75 4.34 3.92 3h32B1 ALA 335 HB3 -0.03 0.00 0.02 -0.04 1.41 1.36 3h32B1 ASN 336 H -0.10 0.52 -0.34 -0.55 8.53 8.07 3h32B1 ASN 336 HA -0.13 0.20 0.81 -0.75 4.76 4.89 3h32B1 ASN 336 HB2 -0.00 -0.08 0.10 -0.04 2.88 2.87 3h32B1 ASN 336 HB3 0.01 0.04 0.14 -0.04 2.79 2.94 3h32B1 ASN 336 HD21 -0.00 0.03 -0.03 -0.04 7.03 6.98 3h32B1 ASN 336 HD22 -0.00 -0.10 0.03 -0.04 7.74 7.63 3h32B1 LYS 337 H -0.14 0.47 -0.38 -0.55 8.42 7.81 3h32B1 LYS 337 HA 0.14 0.04 0.27 -0.75 4.32 4.02 3h32B1 LYS 337 HB2 -0.80 0.09 -0.22 -0.04 1.87 0.90 3h32B1 LYS 337 HB3 0.03 -0.03 0.14 -0.04 1.79 1.90 3h32B1 LYS 337 HG2 -0.17 -0.01 0.01 -0.04 1.46 1.25 3h32B1 LYS 337 HG3 -0.30 0.04 -0.05 -0.04 1.46 1.12 3h32B1 LYS 337 HD2 -1.70 0.02 -0.09 -0.04 1.69 -0.13 3h32B1 LYS 337 HD3 -0.46 0.01 -0.02 -0.04 1.68 1.17 3h32B1 LYS 337 HE2 -0.27 0.02 0.00 -0.04 2.99 2.70 3h32B1 LYS 337 HE3 -0.18 -0.01 -0.01 -0.04 2.99 2.75 3h32B1 TYR 338 H -0.26 0.12 -0.72 -0.55 8.29 6.89 3h32B1 TYR 338 HA 0.16 0.32 0.09 -0.75 4.56 4.38 3h32B1 TYR 338 HB2 0.27 0.02 -0.15 -0.04 3.06 3.16 3h32B1 TYR 338 HB3 0.25 0.02 0.07 -0.04 2.98 3.28 3h32B1 TYR 338 HD2 -0.03 0.21 -0.17 -0.04 7.15 7.12 3h32B1 TYR 338 HE2 -0.25 -0.05 -0.11 -0.04 6.85 6.40 3h32B1 GLN 339 H 0.24 0.13 -0.13 -0.55 8.47 8.17 3h32B1 GLN 339 HA 0.49 0.36 0.48 -0.75 4.36 4.93 3h32B1 GLN 339 HB2 0.33 0.06 0.13 -0.04 2.15 2.63 3h32B1 GLN 339 HB3 0.16 -0.19 0.03 -0.04 2.02 1.97 3h32B1 GLN 339 HG2 0.10 -0.31 0.03 -0.04 2.40 2.18 3h32B1 GLN 339 HG3 0.26 0.31 -0.00 -0.04 2.39 2.92 3h32B1 GLN 339 HE21 0.10 -0.14 0.04 -0.04 6.97 6.93 3h32B1 GLN 339 HE22 0.00 0.52 0.15 -0.04 7.69 8.32 3h32B1 ILE 340 H 0.01 0.30 0.02 -0.55 8.25 8.03 3h32B1 ILE 340 HA -0.22 0.15 0.66 -0.75 4.18 4.03 3h32B1 ILE 340 HB -1.65 0.15 -0.16 -0.04 1.89 0.18 3h32B1 ILE 340 HG12 -0.44 -0.12 -0.24 -0.04 1.49 0.65 3h32B1 ILE 340 HG13 -0.40 -0.04 -0.18 -0.04 1.21 0.55 3h32B1 ILE 340 HG23 -0.39 -0.00 0.05 -0.04 0.93 0.55 3h32B1 ILE 340 HD13 -1.52 -0.01 -0.09 -0.04 0.88 -0.77 3h32B1 SER 341 H -0.04 0.51 0.07 -0.55 8.46 8.45 3h32B1 SER 341 HA -0.03 0.11 0.87 -0.75 4.49 4.69 3h32B1 SER 341 HB2 0.02 -0.02 0.09 -0.04 3.95 4.00 3h32B1 SER 341 HB3 0.01 0.03 0.04 -0.04 3.93 3.97 3h32B1 VAL 342 H -0.04 0.23 0.16 -0.55 8.24 8.03 3h32B1 VAL 342 HA 0.08 0.27 0.89 -0.75 4.13 4.62 3h32B1 VAL 342 HB -0.16 0.16 0.12 -0.04 2.12 2.19 3h32B1 VAL 342 HG13 -0.27 -0.02 -0.21 -0.04 0.97 0.43 3h32B1 VAL 342 HG23 -0.16 -0.03 -0.19 -0.04 0.95 0.53 3h32B1 ASN 343 H 0.17 0.62 0.26 -0.55 8.53 9.03 3h32B1 ASN 343 HA 0.17 0.10 0.61 -0.75 4.76 4.89 3h32B1 ASN 343 HB2 0.09 -0.10 0.14 -0.04 2.88 2.97 3h32B1 ASN 343 HB3 0.08 0.09 -0.30 -0.04 2.79 2.62 3h32B1 ASN 343 HD21 0.09 0.03 -0.09 -0.04 7.03 7.01 3h32B1 ASN 343 HD22 0.08 -0.05 -0.02 -0.04 7.74 7.70 3h32B1 LYS 344 H 0.09 0.12 0.14 -0.55 8.42 8.22 3h32B1 LYS 344 HA 0.05 0.03 0.41 -0.75 4.32 4.06 3h32B1 LYS 344 HB2 0.02 0.06 0.09 -0.04 1.87 2.00 3h32B1 LYS 344 HB3 0.01 0.03 0.16 -0.04 1.79 1.94 3h32B1 LYS 344 HG2 0.08 -0.06 -0.29 -0.04 1.46 1.15 3h32B1 LYS 344 HG3 0.10 0.07 -0.12 -0.04 1.46 1.47 3h32B1 LYS 344 HD2 0.06 -0.03 0.09 -0.04 1.69 1.77 3h32B1 LYS 344 HD3 0.08 0.02 -0.01 -0.04 1.68 1.73 3h32B1 LYS 344 HE2 0.05 0.03 0.03 -0.04 2.99 3.06 3h32B1 LYS 344 HE3 0.06 -0.00 0.02 -0.04 2.99 3.03 3h32B1 TYR 345 H 0.09 -0.01 0.08 -0.55 8.29 7.90 3h32B1 TYR 345 HA -0.70 0.26 0.56 -0.75 4.56 3.93 3h32B1 TYR 345 HB2 -0.17 -0.03 0.09 -0.04 3.06 2.91 3h32B1 TYR 345 HB3 -0.09 -0.02 0.09 -0.04 2.98 2.92 3h32B1 TYR 345 HD2 -0.32 0.02 -0.02 -0.04 7.15 6.79 3h32B1 TYR 345 HE2 -0.00 -0.02 -0.06 -0.04 6.85 6.72 3h32B1 ARG 346 H -1.72 0.20 0.37 -0.55 8.46 6.77 3h32B1 ARG 346 HA -0.56 0.06 0.44 -0.75 4.34 3.53 3h32B1 ARG 346 HB2 -0.33 0.07 -0.17 -0.04 1.90 1.42 3h32B1 ARG 346 HB3 -0.31 -0.11 0.12 -0.04 1.80 1.46 3h32B1 ARG 346 HG2 -0.20 -0.09 0.14 -0.04 1.67 1.49 3h32B1 ARG 346 HG3 -0.20 0.47 0.23 -0.04 1.67 2.12 3h32B1 ARG 346 HD2 -0.15 -0.02 -0.01 -0.04 3.22 3.01 3h32B1 ARG 346 HD3 -0.23 0.02 -0.09 -0.04 3.22 2.87 3h32B1 GLY 347 H -0.28 0.11 0.15 -0.55 8.43 7.87 3h32B1 GLY 347 HA2 -0.17 0.03 0.37 -0.51 4.01 3.73 3h32B1 GLY 347 HA3 -0.23 0.12 0.45 -0.51 4.01 3.84 3h32B1 THR 348 H -0.15 0.24 0.27 -0.55 8.28 8.09 3h32B1 THR 348 HA 0.03 0.15 1.11 -0.75 4.39 4.93 3h32B1 THR 348 HB -0.01 0.02 0.05 -0.04 4.32 4.35 3h32B1 THR 348 HG23 -0.05 0.02 -0.12 -0.04 1.22 1.02 3h32B1 ALA 349 H 0.08 0.00 0.14 -0.55 8.40 8.07 3h32B1 ALA 349 HA -0.17 0.08 0.39 -0.75 4.34 3.89 3h32B1 ALA 349 HB3 -0.50 0.04 -0.10 -0.04 1.41 0.80 3h32B1 GLY 350 H 0.21 0.08 0.01 -0.55 8.43 8.18 3h32B1 GLY 350 HA2 0.16 0.05 0.36 -0.51 4.01 4.07 3h32B1 GLY 350 HA3 0.40 0.23 0.91 -0.51 4.01 5.04 3h32B1 ASN 351 H -0.19 0.24 0.09 -0.55 8.53 8.11 3h32B1 ASN 351 HA -0.16 0.11 0.42 -0.75 4.76 4.38 3h32B1 ASN 351 HB2 -1.48 0.04 0.14 -0.04 2.88 1.55 3h32B1 ASN 351 HB3 -0.33 0.10 0.14 -0.04 2.79 2.65 3h32B1 ASN 351 HD21 -0.02 0.00 0.01 -0.04 7.03 6.98 3h32B1 ASN 351 HD22 -0.27 0.07 0.03 -0.04 7.74 7.54 3h32B1 ALA 352 H 0.40 0.50 -0.77 -0.55 8.40 7.98 3h32B1 ALA 352 HA 0.05 0.23 0.03 -0.75 4.34 3.90 3h32B1 ALA 352 HB3 -0.12 -0.00 -0.07 -0.04 1.41 1.18 3h32B1 LEU 353 H 0.29 0.09 -0.54 -0.55 8.37 7.66 3h32B1 LEU 353 HA 0.25 0.13 0.60 -0.75 4.35 4.58 3h32B1 LEU 353 HB2 0.09 0.00 -0.03 -0.04 1.64 1.66 3h32B1 LEU 353 HB3 -0.13 0.05 0.04 -0.04 1.64 1.57 3h32B1 LEU 353 HG 0.07 -0.07 -0.09 -0.04 1.64 1.50 3h32B1 LEU 353 HD13 -0.10 0.01 -0.10 -0.04 0.93 0.70 3h32B1 LEU 353 HD23 -0.09 0.02 -0.05 -0.04 0.89 0.73 3h32B1 MET 354 H 0.11 0.30 -0.06 -0.55 8.47 8.27 3h32B1 MET 354 HA 0.05 0.16 0.75 -0.75 4.52 4.73 3h32B1 MET 354 HB2 0.08 0.05 0.15 -0.04 2.15 2.39 3h32B1 MET 354 HB3 0.12 0.10 -0.15 -0.04 2.03 2.06 3h32B1 MET 354 HG2 0.21 -0.10 -0.03 -0.04 2.63 2.67 3h32B1 MET 354 HG3 0.07 0.04 -0.15 -0.04 2.56 2.48 3h32B1 MET 354 HE3 0.10 -0.02 0.07 -0.04 2.10 2.20 3h32B1 ASP 355 H 0.04 0.20 0.18 -0.55 8.40 8.27 3h32B1 ASP 355 HA -0.00 0.16 0.77 -0.75 4.63 4.80 3h32B1 ASP 355 HB2 -0.07 -0.02 0.08 -0.04 2.71 2.65 3h32B1 ASP 355 HB3 -0.03 0.07 -0.09 -0.04 2.70 2.61 3h32B1 GLY 356 H 0.01 -0.02 -0.17 -0.55 8.43 7.70 3h32B1 GLY 356 HA2 -0.05 0.22 0.12 -0.51 4.01 3.79 3h32B1 GLY 356 HA3 -0.04 0.08 0.12 -0.51 4.01 3.66 3h32B1 ALA 357 H -0.07 0.11 0.10 -0.55 8.40 8.00 3h32B1 ALA 357 HA -0.01 0.03 0.35 -0.75 4.34 3.95 3h32B1 ALA 357 HB3 -0.07 -0.04 0.11 -0.04 1.41 1.37 3h32B1 SER 358 H 0.02 0.01 0.18 -0.55 8.46 8.12 3h32B1 SER 358 HA 0.01 0.31 0.93 -0.75 4.49 4.98 3h32B1 SER 358 HB2 0.03 0.03 0.07 -0.04 3.95 4.04 3h32B1 SER 358 HB3 0.05 0.03 0.05 -0.04 3.93 4.01 3h32B1 GLN 359 H -0.01 -0.04 0.06 -0.55 8.47 7.93 3h32B1 GLN 359 HA -0.01 0.21 0.58 -0.75 4.36 4.38 3h32B1 GLN 359 HB2 -0.04 -0.02 0.10 -0.04 2.15 2.16 3h32B1 GLN 359 HB3 -0.02 0.04 0.16 -0.04 2.02 2.17 3h32B1 GLN 359 HG2 0.01 0.06 -0.06 -0.04 2.40 2.38 3h32B1 GLN 359 HG3 0.00 -0.13 0.05 -0.04 2.39 2.27 3h32B1 GLN 359 HE21 0.00 0.04 0.00 -0.04 6.97 6.97 3h32B1 GLN 359 HE22 0.01 0.03 -0.05 -0.04 7.69 7.64 3h32B1 LEU 360 H -0.02 0.26 -0.93 -0.55 8.37 7.13 3h32B1 LEU 360 HA -0.04 0.18 0.73 -0.75 4.35 4.47 3h32B1 LEU 360 HB2 -0.06 -0.01 -0.26 -0.04 1.64 1.27 3h32B1 LEU 360 HB3 -0.06 -0.07 -0.26 -0.04 1.64 1.21 3h32B1 LEU 360 HG -0.07 0.08 -0.12 -0.04 1.64 1.49 3h32B1 LEU 360 HD13 -0.08 -0.11 -0.61 -0.04 0.93 0.09 3h32B1 LEU 360 HD23 -0.11 0.01 -0.19 -0.04 0.89 0.57 3h32B1 MET 361 H -0.04 0.22 0.12 -0.55 8.47 8.22 3h32B1 MET 361 HA -0.02 0.20 0.79 -0.75 4.52 4.73 3h32B1 MET 361 HB2 -0.02 0.13 -0.16 -0.04 2.15 2.07 3h32B1 MET 361 HB3 -0.02 -0.02 -0.00 -0.04 2.03 1.95 3h32B1 MET 361 HG2 -0.01 0.03 -0.03 -0.04 2.63 2.57 3h32B1 MET 361 HG3 -0.02 -0.04 -0.14 -0.04 2.56 2.32 3h32B1 MET 361 HE3 -0.01 -0.00 0.02 -0.04 2.10 2.07 3h32B1 GLY 362 H -0.02 0.21 0.13 -0.55 8.43 8.21 3h32B1 GLY 362 HA2 -0.02 0.13 0.32 -0.51 4.01 3.93 3h32B1 GLY 362 HA3 -0.02 0.06 0.37 -0.51 4.01 3.92 3h32B1 GLU 363 H -0.02 0.16 0.15 -0.55 8.60 8.34 3h32B1 GLU 363 HA -0.03 0.09 0.25 -0.75 4.29 3.84 3h32B1 GLU 363 HB2 -0.03 0.08 -0.02 -0.04 2.09 2.08 3h32B1 GLU 363 HB3 -0.02 0.02 0.11 -0.04 1.99 2.05 3h32B1 GLU 363 HG2 -0.02 -0.05 0.11 -0.04 2.34 2.33 3h32B1 GLU 363 HG3 -0.03 -0.03 -0.00 -0.04 2.34 2.24 3h32B1 ASN 364 H -0.04 0.16 -0.40 -0.55 8.53 7.70 3h32B1 ASN 364 HA -0.07 0.07 0.33 -0.75 4.76 4.34 3h32B1 ASN 364 HB2 -0.05 0.29 0.19 -0.04 2.88 3.27 3h32B1 ASN 364 HB3 -0.06 -0.07 -0.04 -0.04 2.79 2.58 3h32B1 ASN 364 HD21 -0.05 -0.00 0.01 -0.04 7.03 6.95 3h32B1 ASN 364 HD22 -0.04 0.01 0.05 -0.04 7.74 7.72 3h32B1 ARG 365 H -0.05 0.29 -0.50 -0.55 8.46 7.65 3h32B1 ARG 365 HA -0.07 0.04 0.47 -0.75 4.34 4.02 3h32B1 ARG 365 HB2 -0.04 -0.14 -0.50 -0.04 1.90 1.17 3h32B1 ARG 365 HB3 -0.03 -0.08 -0.26 -0.04 1.80 1.38 3h32B1 ARG 365 HG2 -0.03 -0.03 -0.44 -0.04 1.67 1.13 3h32B1 ARG 365 HG3 -0.04 0.08 -0.20 -0.04 1.67 1.48 3h32B1 ARG 365 HD2 -0.02 0.15 -0.03 -0.04 3.22 3.29 3h32B1 ARG 365 HD3 -0.02 -0.22 -0.07 -0.04 3.22 2.87 3h32B1 THR 366 H -0.04 0.43 -0.18 -0.55 8.28 7.95 3h32B1 THR 366 HA -0.04 0.04 0.15 -0.75 4.39 3.79 3h32B1 THR 366 HB -0.02 0.03 0.10 -0.04 4.32 4.39 3h32B1 THR 366 HG23 -0.02 -0.01 -0.06 -0.04 1.22 1.09 3h32B1 MET 367 H -0.07 0.29 -1.12 -0.55 8.47 7.02 3h32B1 MET 367 HA -0.05 0.18 0.90 -0.75 4.52 4.80 3h32B1 MET 367 HB2 -0.06 -0.06 0.09 -0.04 2.15 2.09 3h32B1 MET 367 HB3 -0.06 0.08 -0.09 -0.04 2.03 1.92 3h32B1 MET 367 HG2 -0.10 0.25 -0.05 -0.04 2.63 2.69 3h32B1 MET 367 HG3 -0.11 -0.01 -0.43 -0.04 2.56 1.97 3h32B1 MET 367 HE3 -0.11 -0.01 -0.03 -0.04 2.10 1.91 3h32B1 THR 368 H -0.09 0.61 0.12 -0.55 8.28 8.37 3h32B1 THR 368 HA -0.15 0.31 0.67 -0.75 4.39 4.46 3h32B1 THR 368 HB -0.19 -0.15 -0.16 -0.04 4.32 3.78 3h32B1 THR 368 HG23 -0.14 0.02 -0.05 -0.04 1.22 1.01 3h32B1 ILE 369 H -0.09 0.25 -0.50 -0.55 8.25 7.37 3h32B1 ILE 369 HA -0.06 -0.01 0.58 -0.75 4.18 3.94 3h32B1 ILE 369 HB -0.03 0.10 -0.02 -0.04 1.89 1.89 3h32B1 ILE 369 HG12 -0.02 -0.19 -0.50 -0.04 1.49 0.74 3h32B1 ILE 369 HG13 -0.05 -0.10 -0.35 -0.04 1.21 0.67 3h32B1 ILE 369 HG23 0.00 0.00 -0.13 -0.04 0.93 0.77 3h32B1 ILE 369 HD13 -0.02 0.06 -0.18 -0.04 0.88 0.70 3h32B1 HIS 370 H -0.05 0.16 0.11 -0.55 8.41 8.08 3h32B1 HIS 370 HA 0.05 0.17 0.32 -0.75 4.63 4.41 3h32B1 HIS 370 HB2 -0.04 -0.03 0.15 -0.04 3.26 3.31 3h32B1 HIS 370 HB3 -0.08 0.03 0.07 -0.04 3.20 3.19 3h32B1 HIS 370 HD2 0.27 0.20 -0.16 -0.04 6.97 7.23 3h32B1 HIS 370 HE1 0.06 -0.37 0.13 -0.04 7.75 7.54 3h32B1 ASN 371 H 0.05 0.40 0.03 -0.55 8.53 8.47 3h32B1 ASN 371 HA -0.08 0.03 0.58 -0.75 4.76 4.53 3h32B1 ASN 371 HB2 0.02 0.10 0.29 -0.04 2.88 3.24 3h32B1 ASN 371 HB3 0.01 -0.06 0.24 -0.04 2.79 2.94 3h32B1 ASN 371 HD21 0.04 -0.03 0.08 -0.04 7.03 7.09 3h32B1 ASN 371 HD22 0.05 -0.11 0.13 -0.04 7.74 7.77 3h32B1 GLY 372 H -0.08 0.68 0.42 -0.55 8.43 8.90 3h32B1 GLY 372 HA2 -0.02 -0.14 0.33 -0.51 4.01 3.67 3h32B1 GLY 372 HA3 -0.04 0.15 0.83 -0.51 4.01 4.44 3h32B1 MET 373 H -0.01 0.60 -0.07 -0.55 8.47 8.43 3h32B1 MET 373 HA -0.23 -0.01 0.41 -0.75 4.52 3.94 3h32B1 MET 373 HB2 0.16 0.09 0.14 -0.04 2.15 2.51 3h32B1 MET 373 HB3 0.09 -0.04 0.23 -0.04 2.03 2.27 3h32B1 MET 373 HG2 0.03 0.16 0.04 -0.04 2.63 2.82 3h32B1 MET 373 HG3 0.07 -0.01 -0.02 -0.04 2.56 2.56 3h32B1 MET 373 HE3 -0.08 -0.01 0.04 -0.04 2.10 2.01 3h32B1 PHE 374 H 0.12 0.17 0.17 -0.55 8.34 8.25 3h32B1 PHE 374 HA 0.34 0.21 0.72 -0.75 4.62 5.13 3h32B1 PHE 374 HB2 0.19 0.13 0.05 -0.04 3.15 3.48 3h32B1 PHE 374 HB3 0.26 -0.01 0.09 -0.04 3.06 3.36 3h32B1 PHE 374 HD2 0.14 0.07 -0.06 -0.04 7.28 7.40 3h32B1 PHE 374 HE2 0.07 -0.04 -0.04 -0.04 7.38 7.33 3h32B1 PHE 374 HZ 0.06 -0.06 -0.04 -0.04 7.32 7.24 3h32B1 PHE 375 H 0.65 0.52 0.13 -0.55 8.34 9.09 3h32B1 PHE 375 HA -0.17 0.16 0.70 -0.75 4.62 4.56 3h32B1 PHE 375 HB2 0.08 0.20 -0.01 -0.04 3.15 3.39 3h32B1 PHE 375 HB3 0.16 -0.11 -0.04 -0.04 3.06 3.03 3h32B1 PHE 375 HD2 -1.14 -0.04 -0.36 -0.04 7.28 5.70 3h32B1 PHE 375 HE2 -1.02 -0.01 -0.33 -0.04 7.38 5.98 3h32B1 PHE 375 HZ -1.74 0.09 -0.17 -0.04 7.32 5.46 3h32B1 SER 376 H -0.53 0.54 0.39 -0.55 8.46 8.30 3h32B1 SER 376 HA 0.11 0.23 0.97 -0.75 4.49 5.05 3h32B1 SER 376 HB2 0.15 -0.01 -0.18 -0.04 3.95 3.87 3h32B1 SER 376 HB3 0.17 0.00 0.11 -0.04 3.93 4.18 3h32B1 THR 377 H 0.09 0.77 0.43 -0.55 8.28 9.02 3h32B1 THR 377 HA -0.07 0.28 0.74 -0.75 4.39 4.59 3h32B1 THR 377 HB 0.24 -0.39 -0.17 -0.04 4.32 3.97 3h32B1 THR 377 HG23 0.04 0.14 -0.14 -0.04 1.22 1.23 3h32B1 TYR 378 H 0.40 0.33 -0.06 -0.55 8.29 8.40 3h32B1 TYR 378 HA -0.01 0.02 0.19 -0.75 4.56 4.01 3h32B1 TYR 378 HB2 0.00 0.04 0.07 -0.04 3.06 3.13 3h32B1 TYR 378 HB3 0.01 0.04 -0.19 -0.04 2.98 2.80 3h32B1 TYR 378 HD2 0.04 -0.08 -0.10 -0.04 7.15 6.97 3h32B1 TYR 378 HE2 0.03 -0.07 -0.32 -0.04 6.85 6.45 3h32B1 ASP 379 H 0.13 -0.17 -1.31 -0.55 8.40 6.50 3h32B1 ASP 379 HA -0.21 0.21 0.72 -0.75 4.63 4.59 3h32B1 ASP 379 HB2 -0.04 0.01 -0.01 -0.04 2.71 2.63 3h32B1 ASP 379 HB3 0.18 -0.06 0.07 -0.04 2.70 2.85 3h32B1 ARG 380 H 0.07 0.21 0.13 -0.55 8.46 8.31 3h32B1 ARG 380 HA -0.11 0.16 0.77 -0.75 4.34 4.41 3h32B1 ARG 380 HB2 -0.04 -0.12 0.06 -0.04 1.90 1.76 3h32B1 ARG 380 HB3 -0.29 0.11 -0.05 -0.04 1.80 1.53 3h32B1 ARG 380 HG2 -0.34 0.08 0.06 -0.04 1.67 1.44 3h32B1 ARG 380 HG3 -0.28 -0.03 -0.33 -0.04 1.67 0.99 3h32B1 ARG 380 HD2 -0.82 0.03 -0.03 -0.04 3.22 2.36 3h32B1 ARG 380 HD3 -1.71 -0.12 -0.06 -0.04 3.22 1.29 3h32B1 ASP 381 H -0.06 0.23 0.13 -0.55 8.40 8.16 3h32B1 ASP 381 HA 0.04 0.04 1.05 -0.75 4.63 5.00 3h32B1 ASP 381 HB2 -0.04 0.03 -0.00 -0.04 2.71 2.66 3h32B1 ASP 381 HB3 -0.04 0.08 0.15 -0.04 2.70 2.84 3h32B1 ASN 382 H 0.12 0.04 0.12 -0.55 8.53 8.27 3h32B1 ASN 382 HA 0.17 0.22 0.72 -0.75 4.76 5.10 3h32B1 ASN 382 HB2 0.28 0.12 -0.31 -0.04 2.88 2.92 3h32B1 ASN 382 HB3 0.45 -0.01 0.03 -0.04 2.79 3.22 3h32B1 ASN 382 HD21 -0.04 -0.06 -0.04 -0.04 7.03 6.85 3h32B1 ASN 382 HD22 0.12 0.04 0.13 -0.04 7.74 7.98 3h32B1 ASP 383 H 0.12 -0.06 0.03 -0.55 8.40 7.95 3h32B1 ASP 383 HA 0.20 0.33 0.33 -0.75 4.63 4.73 3h32B1 ASP 383 HB2 0.24 -0.20 0.15 -0.04 2.71 2.86 3h32B1 ASP 383 HB3 0.20 -0.03 0.09 -0.04 2.70 2.92 3h32B1 GLY 384 H 0.16 0.02 0.11 -0.55 8.43 8.17 3h32B1 GLY 384 HA2 0.08 0.22 0.60 -0.51 4.01 4.40 3h32B1 GLY 384 HA3 0.07 0.13 0.32 -0.51 4.01 4.03 3h32B1 TRP 385 H 0.27 -0.02 -0.74 -0.55 7.97 6.93 3h32B1 TRP 385 HA -0.00 0.21 0.72 -0.75 4.62 4.80 3h32B1 TRP 385 HB2 -0.00 -0.15 0.03 -0.04 3.23 3.06 3h32B1 TRP 385 HB3 -0.00 -0.08 0.11 -0.04 3.23 3.22 3h32B1 TRP 385 HD1 -0.01 0.08 -0.16 -0.04 7.22 7.09 3h32B1 TRP 385 HE1 -0.01 0.02 -0.12 -0.04 10.20 10.04 3h32B1 TRP 385 HE3 -0.05 -0.24 -0.11 -0.04 7.59 7.14 3h32B1 TRP 385 HZ2 -0.01 0.02 -0.09 -0.04 7.44 7.32 3h32B1 TRP 385 HZ3 -0.07 -0.03 -0.33 -0.04 7.13 6.66 3h32B1 TRP 385 HH2 -0.02 0.03 -0.13 -0.04 7.19 7.03 3h32B1 LEU 386 H 0.26 0.24 -0.02 -0.55 8.37 8.30 3h32B1 LEU 386 HA 0.00 0.13 0.68 -0.75 4.35 4.41 3h32B1 LEU 386 HB2 0.04 -0.02 -0.03 -0.04 1.64 1.59 3h32B1 LEU 386 HB3 0.06 0.05 -0.03 -0.04 1.64 1.68 3h32B1 LEU 386 HG 0.12 -0.03 0.15 -0.04 1.64 1.84 3h32B1 LEU 386 HD13 0.05 -0.00 -0.00 -0.04 0.93 0.94 3h32B1 LEU 386 HD23 0.11 -0.01 -0.03 -0.04 0.89 0.91 3h32B1 THR 387 H -0.17 0.38 0.12 -0.55 8.28 8.06 3h32B1 THR 387 HA -0.07 0.04 0.53 -0.75 4.39 4.14 3h32B1 THR 387 HB -0.16 0.09 -0.12 -0.04 4.32 4.09 3h32B1 THR 387 HG23 -1.05 0.02 -0.15 -0.04 1.22 -0.01 3h32B1 SER 388 H -0.07 0.12 0.11 -0.55 8.46 8.06 3h32B1 SER 388 HA -0.08 0.14 0.44 -0.75 4.49 4.23 3h32B1 SER 388 HB2 -0.05 0.03 0.01 -0.04 3.95 3.91 3h32B1 SER 388 HB3 -0.04 0.02 0.07 -0.04 3.93 3.94 3h32B1 ASP 389 H -0.11 0.01 -0.08 -0.55 8.40 7.68 3h32B1 ASP 389 HA -0.07 0.11 0.41 -0.75 4.63 4.32 3h32B1 ASP 389 HB2 -0.05 0.04 0.11 -0.04 2.71 2.76 3h32B1 ASP 389 HB3 -0.14 0.01 0.12 -0.04 2.70 2.66 3h32B1 PRO 390 HA -0.14 0.13 0.29 -0.51 4.44 4.21 3h32B1 PRO 390 HB2 -0.06 0.02 0.01 -0.04 2.28 2.20 3h32B1 PRO 390 HB3 -0.07 0.06 0.13 -0.04 2.02 2.09 3h32B1 PRO 390 HG2 -0.05 -0.03 0.01 -0.04 2.03 1.93 3h32B1 PRO 390 HG3 -0.05 0.04 0.07 -0.04 2.03 2.06 3h32B1 PRO 390 HD2 -0.06 -0.04 0.25 -0.04 3.68 3.80 3h32B1 PRO 390 HD3 -0.07 0.33 0.32 -0.04 3.65 4.19 3h32B1 ARG 391 H -0.08 -0.00 -0.59 -0.55 8.46 7.23 3h32B1 ARG 391 HA -0.04 0.09 0.38 -0.75 4.34 4.02 3h32B1 ARG 391 HB2 -0.01 -0.02 0.01 -0.04 1.90 1.84 3h32B1 ARG 391 HB3 -0.03 -0.01 -0.07 -0.04 1.80 1.65 3h32B1 ARG 391 HG2 0.05 0.01 -0.04 -0.04 1.67 1.65 3h32B1 ARG 391 HG3 0.07 0.02 0.00 -0.04 1.67 1.72 3h32B1 ARG 391 HD2 0.06 -0.01 -0.07 -0.04 3.22 3.15 3h32B1 ARG 391 HD3 0.09 0.03 -0.03 -0.04 3.22 3.27 3h32B1 LYS 392 H -0.23 0.39 -0.29 -0.55 8.42 7.74 3h32B1 LYS 392 HA -0.23 0.07 0.58 -0.75 4.32 3.99 3h32B1 LYS 392 HB2 -0.70 0.09 0.12 -0.04 1.87 1.34 3h32B1 LYS 392 HB3 -1.35 -0.04 -0.03 -0.04 1.79 0.33 3h32B1 LYS 392 HG2 0.07 0.04 -0.12 -0.04 1.46 1.41 3h32B1 LYS 392 HG3 -0.09 -0.08 -0.05 -0.04 1.46 1.19 3h32B1 LYS 392 HD2 -0.04 -0.05 -0.01 -0.04 1.69 1.55 3h32B1 LYS 392 HD3 0.34 0.02 -0.05 -0.04 1.68 1.95 3h32B1 LYS 392 HE2 0.13 0.03 -0.05 -0.04 2.99 3.06 3h32B1 LYS 392 HE3 0.05 -0.03 -0.02 -0.04 2.99 2.94 3h32B1 GLN 393 H -0.17 0.38 0.05 -0.55 8.47 8.17 3h32B1 GLN 393 HA -0.26 0.14 0.73 -0.75 4.36 4.22 3h32B1 GLN 393 HB2 -0.09 -0.00 -0.05 -0.04 2.15 1.96 3h32B1 GLN 393 HB3 -0.06 -0.14 -0.06 -0.04 2.02 1.72 3h32B1 GLN 393 HG2 -0.24 0.13 -0.11 -0.04 2.40 2.14 3h32B1 GLN 393 HG3 -0.22 0.12 -0.72 -0.04 2.39 1.53 3h32B1 GLN 393 HE21 -0.09 -0.04 -0.04 -0.04 6.97 6.77 3h32B1 GLN 393 HE22 -0.13 0.09 -0.07 -0.04 7.69 7.54 3h32B1 CYS 394 H 0.20 0.18 0.08 -0.55 8.50 8.41 3h32B1 CYS 394 HA 0.02 0.06 0.30 -0.75 4.58 4.22 3h32B1 CYS 394 HB2 -0.00 -0.04 0.15 -0.04 2.97 3.03 3h32B1 CYS 394 HB3 -0.68 0.15 -0.01 -0.04 2.97 2.40 3h32B1 SER 395 H -0.05 0.02 -0.28 -0.55 8.46 7.61 3h32B1 SER 395 HA -0.02 0.30 0.20 -0.75 4.49 4.23 3h32B1 SER 395 HB2 0.10 0.03 -0.35 -0.04 3.95 3.69 3h32B1 SER 395 HB3 0.07 0.01 -0.49 -0.04 3.93 3.48 3h32B1 LYS 396 H -0.01 0.08 -0.34 -0.55 8.42 7.60 3h32B1 LYS 396 HA 0.05 0.02 0.36 -0.75 4.32 4.01 3h32B1 LYS 396 HB2 0.04 -0.03 0.06 -0.04 1.87 1.90 3h32B1 LYS 396 HB3 -0.12 0.07 0.11 -0.04 1.79 1.80 3h32B1 LYS 396 HG2 -0.01 0.06 0.00 -0.04 1.46 1.47 3h32B1 LYS 396 HG3 -0.27 0.00 -0.18 -0.04 1.46 0.97 3h32B1 LYS 396 HD2 0.20 -0.03 0.05 -0.04 1.69 1.87 3h32B1 LYS 396 HD3 0.36 -0.01 0.03 -0.04 1.68 2.01 3h32B1 LYS 396 HE2 0.41 0.00 -0.02 -0.04 2.99 3.35 3h32B1 LYS 396 HE3 0.32 -0.02 -0.00 -0.04 2.99 3.25 3h32B1 GLU 397 H -0.10 0.59 -0.10 -0.55 8.60 8.46 3h32B1 GLU 397 HA -0.21 -0.01 0.29 -0.75 4.29 3.61 3h32B1 GLU 397 HB2 -0.01 0.11 0.03 -0.04 2.09 2.19 3h32B1 GLU 397 HB3 0.06 -0.12 -0.05 -0.04 1.99 1.83 3h32B1 GLU 397 HG2 0.05 0.19 -0.04 -0.04 2.34 2.50 3h32B1 GLU 397 HG3 0.39 -0.10 -0.22 -0.04 2.34 2.37 3h32B1 ASP 398 H -0.10 0.57 -0.41 -0.55 8.40 7.91 3h32B1 ASP 398 HA 0.03 -0.06 0.78 -0.75 4.63 4.62 3h32B1 ASP 398 HB2 -0.14 0.12 0.08 -0.04 2.71 2.73 3h32B1 ASP 398 HB3 -0.07 -0.10 0.02 -0.04 2.70 2.52 3h32B1 GLY 399 H 0.02 0.11 -0.09 -0.55 8.43 7.93 3h32B1 GLY 399 HA2 -0.10 0.05 0.39 -0.51 4.01 3.84 3h32B1 GLY 399 HA3 -0.08 -0.10 0.35 -0.51 4.01 3.68 3h32B1 GLY 400 H -0.00 0.01 0.17 -0.55 8.43 8.07 3h32B1 GLY 400 HA2 0.15 0.22 0.60 -0.51 4.01 4.47 3h32B1 GLY 400 HA3 0.07 0.44 0.79 -0.51 4.01 4.79 3h32B1 GLY 401 H -0.06 0.21 0.30 -0.55 8.43 8.33 3h32B1 GLY 401 HA2 -0.75 0.20 0.75 -0.51 4.01 3.70 3h32B1 GLY 401 HA3 -1.75 -0.04 0.41 -0.51 4.01 2.12 3h32B1 TRP 402 H -0.84 0.33 0.46 -0.55 7.97 7.38 3h32B1 TRP 402 HA -0.61 0.13 0.70 -0.75 4.62 4.10 3h32B1 TRP 402 HB2 -0.78 0.24 -0.34 -0.04 3.23 2.31 3h32B1 TRP 402 HB3 -2.25 -0.09 -0.04 -0.04 3.23 0.82 3h32B1 TRP 402 HD1 -0.46 -0.07 -0.17 -0.04 7.22 6.48 3h32B1 TRP 402 HE1 -0.73 -0.05 0.03 -0.04 10.20 9.41 3h32B1 TRP 402 HE3 -0.39 0.18 0.08 -0.04 7.59 7.42 3h32B1 TRP 402 HZ2 -0.51 -0.07 -0.05 -0.04 7.44 6.77 3h32B1 TRP 402 HZ3 0.30 -0.04 -0.07 -0.04 7.13 7.29 3h32B1 TRP 402 HH2 0.10 -0.06 -0.08 -0.04 7.19 7.11 3h32B1 TRP 403 H -1.82 0.15 0.06 -0.55 7.97 5.81 3h32B1 TRP 403 HA -0.02 0.29 0.70 -0.75 4.62 4.83 3h32B1 TRP 403 HB2 -0.77 -0.11 0.14 -0.04 3.23 2.45 3h32B1 TRP 403 HB3 -0.17 0.12 0.08 -0.04 3.23 3.22 3h32B1 TRP 403 HD1 0.15 0.06 -0.44 -0.04 7.22 6.94 3h32B1 TRP 403 HE1 0.03 0.33 -0.02 -0.04 10.20 10.49 3h32B1 TRP 403 HE3 -1.97 -0.04 0.00 -0.04 7.59 5.55 3h32B1 TRP 403 HZ2 0.00 0.01 -0.08 -0.04 7.44 7.33 3h32B1 TRP 403 HZ3 -0.21 -0.06 -0.06 -0.04 7.13 6.77 3h32B1 TRP 403 HH2 0.48 -0.03 -0.08 -0.04 7.19 7.51 3h32B1 TYR 404 H -0.03 0.25 -0.49 -0.55 8.29 7.47 3h32B1 TYR 404 HA 0.41 0.16 0.31 -0.75 4.56 4.69 3h32B1 TYR 404 HB2 0.12 -0.07 0.07 -0.04 3.06 3.14 3h32B1 TYR 404 HB3 0.19 -0.24 0.16 -0.04 2.98 3.05 3h32B1 TYR 404 HD2 0.22 0.08 -0.03 -0.04 7.15 7.38 3h32B1 TYR 404 HE2 -0.13 0.14 -0.04 -0.04 6.85 6.78 3h32B1 ASN 405 H 0.32 0.33 0.15 -0.55 8.53 8.78 3h32B1 ASN 405 HA 0.15 -0.59 0.48 -0.75 4.76 4.05 3h32B1 ASN 405 HB2 0.08 0.31 0.21 -0.04 2.88 3.45 3h32B1 ASN 405 HB3 0.03 -0.02 -0.28 -0.04 2.79 2.48 3h32B1 ASN 405 HD21 -0.03 -0.06 -0.09 -0.04 7.03 6.80 3h32B1 ASN 405 HD22 -0.04 0.06 -0.29 -0.04 7.74 7.43 3h32B1 ARG 406 H 0.17 -0.08 0.12 -0.55 8.46 8.12 3h32B1 ARG 406 HA -0.12 -0.10 0.32 -0.75 4.34 3.69 3h32B1 ARG 406 HB2 0.08 -0.11 -0.41 -0.04 1.90 1.43 3h32B1 ARG 406 HB3 -0.08 0.28 -0.14 -0.04 1.80 1.83 3h32B1 ARG 406 HG2 -0.43 0.04 0.10 -0.04 1.67 1.34 3h32B1 ARG 406 HG3 -1.07 -0.09 -0.00 -0.04 1.67 0.47 3h32B1 ARG 406 HD2 0.03 0.01 0.07 -0.04 3.22 3.29 3h32B1 ARG 406 HD3 -0.12 0.07 0.03 -0.04 3.22 3.15 3h32B1 CYS 407 H -0.12 -0.00 0.07 -0.55 8.50 7.90 3h32B1 CYS 407 HA 0.07 -0.23 0.08 -0.75 4.58 3.75 3h32B1 CYS 407 HB2 0.01 0.10 -0.01 -0.04 2.97 3.04 3h32B1 CYS 407 HB3 0.06 0.08 -0.15 -0.04 2.97 2.91 3h32B1 HIS 408 H -0.07 0.20 0.17 -0.55 8.41 8.17 3h32B1 HIS 408 HA -0.03 0.21 0.41 -0.75 4.63 4.46 3h32B1 HIS 408 HB2 0.51 0.08 0.03 -0.04 3.26 3.84 3h32B1 HIS 408 HB3 0.57 0.10 -0.35 -0.04 3.20 3.48 3h32B1 HIS 408 HD2 0.01 -0.16 -0.23 -0.04 6.97 6.54 3h32B1 HIS 408 HE1 -0.07 0.09 -0.18 -0.04 7.75 7.55 3h32B1 ALA 409 H 0.37 0.16 0.24 -0.55 8.40 8.62 3h32B1 ALA 409 HA -0.23 0.12 0.79 -0.75 4.34 4.27 3h32B1 ALA 409 HB3 -0.08 0.02 0.09 -0.04 1.41 1.39 3h32B1 ALA 410 H 0.45 -0.05 0.12 -0.55 8.40 8.37 3h32B1 ALA 410 HA -0.15 0.24 0.68 -0.75 4.34 4.37 3h32B1 ALA 410 HB3 -0.76 0.02 -0.04 -0.04 1.41 0.59 3h32B1 ASN 411 H -0.17 0.59 0.21 -0.55 8.53 8.61 3h32B1 ASN 411 HA -0.96 0.31 0.95 -0.75 4.76 4.31 3h32B1 ASN 411 HB2 -0.89 -0.06 -0.19 -0.04 2.88 1.70 3h32B1 ASN 411 HB3 -0.26 0.17 0.14 -0.04 2.79 2.80 3h32B1 ASN 411 HD21 -0.12 -0.14 -0.06 -0.04 7.03 6.67 3h32B1 ASN 411 HD22 -0.15 0.37 -0.08 -0.04 7.74 7.83 3h32B1 PRO 412 HA -0.33 -0.13 0.30 -0.51 4.44 3.77 3h32B1 PRO 412 HB2 -0.55 0.12 -0.13 -0.04 2.28 1.68 3h32B1 PRO 412 HB3 -0.16 -0.03 -0.05 -0.04 2.02 1.73 3h32B1 PRO 412 HG2 -0.46 0.07 -0.08 -0.04 2.03 1.52 3h32B1 PRO 412 HG3 -0.25 -0.03 -0.11 -0.04 2.03 1.60 3h32B1 PRO 412 HD2 -3.73 0.18 -0.01 -0.04 3.68 0.08 3h32B1 PRO 412 HD3 -1.11 0.04 -0.52 -0.04 3.65 2.02 3h32B1 ASN 413 H -0.38 -0.02 0.11 -0.55 8.53 7.70 3h32B1 ASN 413 HA -0.82 -0.05 0.33 -0.75 4.76 3.47 3h32B1 ASN 413 HB2 -0.16 0.53 0.29 -0.04 2.88 3.50 3h32B1 ASN 413 HB3 0.22 -0.02 0.27 -0.04 2.79 3.22 3h32B1 ASN 413 HD21 -0.22 -0.04 0.01 -0.04 7.03 6.74 3h32B1 ASN 413 HD22 0.09 0.08 0.09 -0.04 7.74 7.95 3h32B1 GLY 414 H -0.26 -0.17 -0.10 -0.55 8.43 7.35 3h32B1 GLY 414 HA2 -0.08 0.54 0.76 -0.51 4.01 4.72 3h32B1 GLY 414 HA3 -0.14 -0.19 0.21 -0.51 4.01 3.38 3h32B1 ARG 415 H -0.13 -0.02 0.17 -0.55 8.46 7.92 3h32B1 ARG 415 HA -0.13 0.22 0.90 -0.75 4.34 4.59 3h32B1 ARG 415 HB2 -0.54 -0.00 0.04 -0.04 1.90 1.36 3h32B1 ARG 415 HB3 -0.42 0.09 -0.02 -0.04 1.80 1.41 3h32B1 ARG 415 HG2 -0.09 -0.12 -0.17 -0.04 1.67 1.25 3h32B1 ARG 415 HG3 -0.11 -0.04 -0.03 -0.04 1.67 1.45 3h32B1 ARG 415 HD2 -0.06 0.23 -0.19 -0.04 3.22 3.15 3h32B1 ARG 415 HD3 -0.06 0.01 -0.03 -0.04 3.22 3.11 3h32B1 TYR 416 H 0.02 0.20 -0.02 -0.55 8.29 7.94 3h32B1 TYR 416 HA -0.06 -0.02 0.35 -0.75 4.56 4.08 3h32B1 TYR 416 HB2 -0.09 -0.11 0.10 -0.04 3.06 2.91 3h32B1 TYR 416 HB3 -0.10 0.08 0.12 -0.04 2.98 3.03 3h32B1 TYR 416 HD2 -0.08 -0.09 -0.28 -0.04 7.15 6.66 3h32B1 TYR 416 HE2 0.11 -0.03 -0.31 -0.04 6.85 6.59 3h32B1 TYR 417 H -0.14 0.12 0.33 -0.55 8.29 8.05 3h32B1 TYR 417 HA -0.05 0.03 0.47 -0.75 4.56 4.26 3h32B1 TYR 417 HB2 -0.37 -0.06 0.09 -0.04 3.06 2.68 3h32B1 TYR 417 HB3 -0.24 0.12 -0.08 -0.04 2.98 2.73 3h32B1 TYR 417 HD2 -0.34 -0.04 0.00 -0.04 7.15 6.72 3h32B1 TYR 417 HE2 -0.19 0.19 -0.20 -0.04 6.85 6.61 3h32B1 TRP 418 H 0.25 0.08 0.14 -0.55 7.97 7.89 3h32B1 TRP 418 HA -0.17 0.18 0.50 -0.75 4.62 4.37 3h32B1 TRP 418 HB2 0.01 0.03 0.12 -0.04 3.23 3.34 3h32B1 TRP 418 HB3 -0.13 0.00 0.01 -0.04 3.23 3.07 3h32B1 TRP 418 HD1 -0.40 -0.30 0.16 -0.04 7.22 6.65 3h32B1 TRP 418 HE1 0.36 0.02 0.04 -0.04 10.20 10.58 3h32B1 TRP 418 HE3 0.05 -0.01 0.01 -0.04 7.59 7.60 3h32B1 TRP 418 HZ2 0.11 -0.00 0.02 -0.04 7.44 7.53 3h32B1 TRP 418 HZ3 0.04 0.00 0.01 -0.04 7.13 7.14 3h32B1 TRP 418 HH2 0.05 -0.00 0.01 -0.04 7.19 7.21 3h32B1 GLY 419 H -0.34 0.15 0.11 -0.55 8.43 7.80 3h32B1 GLY 419 HA2 -0.55 0.02 0.43 -0.51 4.01 3.39 3h32B1 GLY 419 HA3 -0.41 0.06 0.37 -0.51 4.01 3.53 3h32B1 GLY 420 H -0.68 0.92 -0.56 -0.55 8.43 7.57 3h32B1 GLY 420 HA2 -0.74 0.26 0.26 -0.51 4.01 3.28 3h32B1 GLY 420 HA3 -0.98 0.07 0.82 -0.51 4.01 3.41 3h32B1 GLN 421 H -0.26 0.11 -0.15 -0.55 8.47 7.61 3h32B1 GLN 421 HA 0.04 0.32 0.85 -0.75 4.36 4.82 3h32B1 GLN 421 HB2 0.04 -0.03 0.03 -0.04 2.15 2.14 3h32B1 GLN 421 HB3 -0.05 -0.03 0.00 -0.04 2.02 1.89 3h32B1 GLN 421 HG2 -0.03 -0.06 -0.06 -0.04 2.40 2.22 3h32B1 GLN 421 HG3 -0.03 -0.00 0.05 -0.04 2.39 2.36 3h32B1 GLN 421 HE21 0.07 -0.03 -0.03 -0.04 6.97 6.93 3h32B1 GLN 421 HE22 -0.01 -0.03 -0.03 -0.04 7.69 7.58 3h32B1 TYR 422 H -0.04 0.50 0.24 -0.55 8.29 8.43 3h32B1 TYR 422 HA -0.20 -0.00 0.41 -0.75 4.56 4.01 3h32B1 TYR 422 HB2 -0.40 -0.03 0.03 -0.04 3.06 2.62 3h32B1 TYR 422 HB3 -0.42 0.15 -0.22 -0.04 2.98 2.45 3h32B1 TYR 422 HD2 -0.28 0.01 -0.27 -0.04 7.15 6.57 3h32B1 TYR 422 HE2 0.13 -0.13 -0.31 -0.04 6.85 6.50 3h32B1 THR 423 H -0.27 0.10 0.03 -0.55 8.28 7.59 3h32B1 THR 423 HA -1.19 0.23 0.79 -0.75 4.39 3.46 3h32B1 THR 423 HB -0.47 -0.19 0.17 -0.04 4.32 3.78 3h32B1 THR 423 HG23 -0.33 0.02 -0.03 -0.04 1.22 0.84 3h32B1 TRP 424 H -0.50 0.12 0.14 -0.55 7.97 7.18 3h32B1 TRP 424 HA -0.05 0.25 0.48 -0.75 4.62 4.55 3h32B1 TRP 424 HB2 0.10 0.18 0.07 -0.04 3.23 3.54 3h32B1 TRP 424 HB3 -0.20 0.00 0.12 -0.04 3.23 3.11 3h32B1 TRP 424 HD1 -0.39 -0.02 0.12 -0.04 7.22 6.89 3h32B1 TRP 424 HE1 -0.14 0.02 0.04 -0.04 10.20 10.08 3h32B1 TRP 424 HE3 0.04 0.12 -0.08 -0.04 7.59 7.63 3h32B1 TRP 424 HZ2 -0.05 -0.00 0.01 -0.04 7.44 7.36 3h32B1 TRP 424 HZ3 0.02 0.03 -0.03 -0.04 7.13 7.12 3h32B1 TRP 424 HH2 -0.01 0.01 -0.01 -0.04 7.19 7.14 3h32B1 ASP 425 H -1.62 0.04 -0.08 -0.55 8.40 6.19 3h32B1 ASP 425 HA -0.79 0.18 0.42 -0.75 4.63 3.69 3h32B1 ASP 425 HB2 -0.70 0.06 0.18 -0.04 2.71 2.21 3h32B1 ASP 425 HB3 -2.07 0.01 0.09 -0.04 2.70 0.69 3h32B1 MET 426 H -0.09 0.31 -0.35 -0.55 8.47 7.79 3h32B1 MET 426 HA -0.04 0.14 0.67 -0.75 4.52 4.53 3h32B1 MET 426 HB2 0.13 0.12 -0.09 -0.04 2.15 2.27 3h32B1 MET 426 HB3 0.12 -0.01 -0.02 -0.04 2.03 2.07 3h32B1 MET 426 HG2 -0.14 0.20 -0.29 -0.04 2.63 2.36 3h32B1 MET 426 HG3 -0.25 -0.21 -0.80 -0.04 2.56 1.26 3h32B1 MET 426 HE3 0.01 0.03 -0.01 -0.04 2.10 2.09 3h32B1 ALA 427 H 0.19 0.18 0.14 -0.55 8.40 8.37 3h32B1 ALA 427 HA 0.35 0.04 0.41 -0.75 4.34 4.39 3h32B1 ALA 427 HB3 0.36 0.03 0.13 -0.04 1.41 1.88 3h32B1 LYS 428 H 0.14 0.11 0.22 -0.55 8.42 8.34 3h32B1 LYS 428 HA 0.00 0.13 0.40 -0.75 4.32 4.10 3h32B1 LYS 428 HB2 0.01 0.01 0.16 -0.04 1.87 2.02 3h32B1 LYS 428 HB3 0.10 -0.05 0.19 -0.04 1.79 1.98 3h32B1 LYS 428 HG2 -0.14 0.04 -0.39 -0.04 1.46 0.93 3h32B1 LYS 428 HG3 -0.09 0.00 0.03 -0.04 1.46 1.37 3h32B1 LYS 428 HD2 0.01 -0.03 0.03 -0.04 1.69 1.66 3h32B1 LYS 428 HD3 0.11 -0.00 0.04 -0.04 1.68 1.79 3h32B1 LYS 428 HE2 0.11 -0.01 0.02 -0.04 2.99 3.06 3h32B1 LYS 428 HE3 0.32 0.04 -0.05 -0.04 2.99 3.26 3h32B1 HIS 429 H 0.22 -0.11 -0.17 -0.55 8.41 7.81 3h32B1 HIS 429 HA 0.09 0.27 0.95 -0.75 4.63 5.19 3h32B1 HIS 429 HB2 0.10 0.07 0.12 -0.04 3.26 3.52 3h32B1 HIS 429 HB3 0.12 -0.03 0.02 -0.04 3.20 3.27 3h32B1 HIS 429 HD2 0.05 0.08 -0.10 -0.04 6.97 6.94 3h32B1 HIS 429 HE1 0.05 -0.03 -0.02 -0.04 7.75 7.71 3h32B1 GLY 430 H 0.22 -0.15 -0.27 -0.55 8.43 7.67 3h32B1 GLY 430 HA2 0.24 0.20 0.37 -0.51 4.01 4.31 3h32B1 GLY 430 HA3 0.27 0.15 0.73 -0.51 4.01 4.65 3h32B1 THR 431 H 0.28 -0.16 -0.05 -0.55 8.28 7.80 3h32B1 THR 431 HA 0.24 0.21 0.65 -0.75 4.39 4.73 3h32B1 THR 431 HB 0.11 -0.18 0.11 -0.04 4.32 4.32 3h32B1 THR 431 HG23 0.15 0.02 -0.16 -0.04 1.22 1.19 3h32B1 ASP 432 H 0.10 0.12 -0.04 -0.55 8.40 8.04 3h32B1 ASP 432 HA 0.16 0.26 0.87 -0.75 4.63 5.16 3h32B1 ASP 432 HB2 -0.55 0.27 0.21 -0.04 2.71 2.60 3h32B1 ASP 432 HB3 -0.67 -0.03 -0.11 -0.04 2.70 1.86 3h32B1 ASP 433 H 0.26 -0.02 -0.08 -0.55 8.40 8.00 3h32B1 ASP 433 HA 0.01 0.12 0.39 -0.75 4.63 4.39 3h32B1 ASP 433 HB2 0.03 -0.02 0.11 -0.04 2.71 2.78 3h32B1 ASP 433 HB3 0.09 0.11 0.25 -0.04 2.70 3.11 3h32B1 GLY 434 H -0.04 0.14 0.06 -0.55 8.43 8.04 3h32B1 GLY 434 HA2 -0.10 -1.21 0.50 -0.51 4.01 2.69 3h32B1 GLY 434 HA3 0.09 0.38 0.73 -0.51 4.01 4.70 3h32B1 VAL 435 H -0.10 0.01 -0.04 -0.55 8.24 7.56 3h32B1 VAL 435 HA -0.16 0.40 0.20 -0.75 4.13 3.82 3h32B1 VAL 435 HB -0.08 0.03 0.09 -0.04 2.12 2.12 3h32B1 VAL 435 HG13 -0.04 -0.01 -0.21 -0.04 0.97 0.67 3h32B1 VAL 435 HG23 -0.22 -0.01 0.08 -0.04 0.95 0.76 3h32B1 VAL 436 H -0.04 0.23 0.24 -0.55 8.24 8.13 3h32B1 VAL 436 HA 0.23 0.16 0.87 -0.75 4.13 4.63 3h32B1 VAL 436 HB 0.20 -0.00 0.03 -0.04 2.12 2.31 3h32B1 VAL 436 HG13 0.19 0.10 -0.75 -0.04 0.97 0.47 3h32B1 VAL 436 HG23 0.12 0.04 -0.19 -0.04 0.95 0.88 3h32B1 TRP 437 H 0.41 0.11 0.20 -0.55 7.97 8.14 3h32B1 TRP 437 HA 0.11 0.21 0.99 -0.75 4.62 5.18 3h32B1 TRP 437 HB2 0.15 0.05 -0.03 -0.04 3.23 3.35 3h32B1 TRP 437 HB3 0.24 -0.12 0.06 -0.04 3.23 3.37 3h32B1 TRP 437 HD1 0.16 -0.23 -0.01 -0.04 7.22 7.10 3h32B1 TRP 437 HE1 0.12 0.10 0.02 -0.04 10.20 10.40 3h32B1 TRP 437 HE3 0.04 -0.04 -0.12 -0.04 7.59 7.43 3h32B1 TRP 437 HZ2 0.20 0.01 0.01 -0.04 7.44 7.62 3h32B1 TRP 437 HZ3 0.06 0.03 -0.08 -0.04 7.13 7.09 3h32B1 TRP 437 HH2 0.13 0.00 -0.07 -0.04 7.19 7.21 3h32B1 MET 438 H 0.26 0.05 0.10 -0.55 8.47 8.34 3h32B1 MET 438 HA 0.10 -0.21 0.35 -0.75 4.52 4.01 3h32B1 MET 438 HB2 -0.01 0.05 -0.48 -0.04 2.15 1.66 3h32B1 MET 438 HB3 -0.00 0.30 0.20 -0.04 2.03 2.48 3h32B1 MET 438 HG2 -0.04 -0.03 -0.06 -0.04 2.63 2.45 3h32B1 MET 438 HG3 -0.04 -0.27 -0.00 -0.04 2.56 2.21 3h32B1 MET 438 HE3 -0.22 0.01 -0.00 -0.04 2.10 1.84 3h32B1 ASN 439 H 0.37 0.81 -0.26 -0.55 8.53 8.91 3h32B1 ASN 439 HA 0.18 0.01 0.50 -0.75 4.76 4.70 3h32B1 ASN 439 HB2 0.81 0.05 0.13 -0.04 2.88 3.84 3h32B1 ASN 439 HB3 0.35 0.05 0.13 -0.04 2.79 3.28 3h32B1 ASN 439 HD21 0.10 0.25 -0.16 -0.04 7.03 7.18 3h32B1 ASN 439 HD22 0.20 -0.13 -0.01 -0.04 7.74 7.76 3h32B1 TRP 440 H 0.51 -0.20 -0.33 -0.55 7.97 7.40 3h32B1 TRP 440 HA 0.05 0.28 0.93 -0.75 4.62 5.12 3h32B1 TRP 440 HB2 -0.05 0.16 0.05 -0.04 3.23 3.35 3h32B1 TRP 440 HB3 0.03 -0.13 -0.03 -0.04 3.23 3.06 3h32B1 TRP 440 HD1 -0.02 0.04 0.06 -0.04 7.22 7.26 3h32B1 TRP 440 HE1 -0.03 0.01 -0.03 -0.04 10.20 10.11 3h32B1 TRP 440 HE3 0.02 -0.07 -0.18 -0.04 7.59 7.33 3h32B1 TRP 440 HZ2 -0.03 -0.04 -0.11 -0.04 7.44 7.22 3h32B1 TRP 440 HZ3 0.04 -0.08 -0.16 -0.04 7.13 6.88 3h32B1 TRP 440 HH2 -0.01 -0.10 0.06 -0.04 7.19 7.10 3h32B1 LYS 441 H 0.18 -0.27 -0.29 -0.55 8.42 7.48 3h32B1 LYS 441 HA -0.42 0.28 0.92 -0.75 4.32 4.34 3h32B1 LYS 441 HB2 0.14 -0.22 0.15 -0.04 1.87 1.90 3h32B1 LYS 441 HB3 -0.16 0.09 0.00 -0.04 1.79 1.68 3h32B1 LYS 441 HG2 -0.59 -0.06 -0.51 -0.04 1.46 0.26 3h32B1 LYS 441 HG3 -0.11 -0.00 -0.13 -0.04 1.46 1.18 3h32B1 LYS 441 HD2 -1.28 -0.09 -0.05 -0.04 1.69 0.22 3h32B1 LYS 441 HD3 -1.06 0.03 0.01 -0.04 1.68 0.62 3h32B1 LYS 441 HE2 -1.55 0.64 0.22 -0.04 2.99 2.26 3h32B1 LYS 441 HE3 -3.64 -0.09 -0.06 -0.04 2.99 -0.85 3h32B1 GLY 442 H 0.11 -0.11 0.26 -0.55 8.43 8.14 3h32B1 GLY 442 HA2 0.01 0.16 0.43 -0.51 4.01 4.10 3h32B1 GLY 442 HA3 0.03 0.22 0.67 -0.51 4.01 4.42 3h32B1 SER 443 H -0.16 0.23 0.15 -0.55 8.46 8.12 3h32B1 SER 443 HA -0.21 0.07 0.34 -0.75 4.49 3.93 3h32B1 SER 443 HB2 -0.72 0.06 0.11 -0.04 3.95 3.36 3h32B1 SER 443 HB3 -0.38 -0.02 0.12 -0.04 3.93 3.61 3h32B1 TRP 444 H 0.03 -0.06 -0.84 -0.55 7.97 6.55 3h32B1 TRP 444 HA -0.62 0.32 0.99 -0.75 4.62 4.56 3h32B1 TRP 444 HB2 -0.15 -0.09 0.07 -0.04 3.23 3.02 3h32B1 TRP 444 HB3 -0.48 0.39 0.33 -0.04 3.23 3.43 3h32B1 TRP 444 HD1 -0.08 -0.02 -0.06 -0.04 7.22 7.02 3h32B1 TRP 444 HE1 -0.05 -0.01 -0.05 -0.04 10.20 10.05 3h32B1 TRP 444 HE3 -1.60 0.08 -0.10 -0.04 7.59 5.92 3h32B1 TRP 444 HZ2 0.04 -0.03 -0.06 -0.04 7.44 7.36 3h32B1 TRP 444 HZ3 0.01 0.06 -0.05 -0.04 7.13 7.10 3h32B1 TRP 444 HH2 0.16 0.16 -0.06 -0.04 7.19 7.42 3h32B1 TYR 445 H 0.34 0.28 -0.23 -0.55 8.29 8.13 3h32B1 TYR 445 HA 0.26 0.48 0.90 -0.75 4.56 5.45 3h32B1 TYR 445 HB2 0.09 -0.02 -0.31 -0.04 3.06 2.77 3h32B1 TYR 445 HB3 0.10 -0.21 0.07 -0.04 2.98 2.91 3h32B1 TYR 445 HD2 0.11 -0.06 -0.26 -0.04 7.15 6.90 3h32B1 TYR 445 HE2 0.19 -0.07 -0.10 -0.04 6.85 6.82 3h32B1 SER 446 H -0.09 0.50 0.10 -0.55 8.46 8.42 3h32B1 SER 446 HA 0.09 0.17 0.43 -0.75 4.49 4.43 3h32B1 SER 446 HB2 -0.12 -0.00 0.03 -0.04 3.95 3.81 3h32B1 SER 446 HB3 -0.10 0.14 0.12 -0.04 3.93 4.05 3h32B1 MET 447 H 0.14 0.53 0.28 -0.55 8.47 8.87 3h32B1 MET 447 HA 0.36 0.00 0.22 -0.75 4.52 4.35 3h32B1 MET 447 HB2 0.06 -0.06 -0.14 -0.04 2.15 1.96 3h32B1 MET 447 HB3 0.10 -0.16 0.01 -0.04 2.03 1.93 3h32B1 MET 447 HG2 0.22 0.12 -0.05 -0.04 2.63 2.88 3h32B1 MET 447 HG3 0.19 -0.02 -0.13 -0.04 2.56 2.57 3h32B1 MET 447 HE3 0.52 -0.01 -0.10 -0.04 2.10 2.47 3h32B1 ARG 448 H -0.07 0.47 0.32 -0.55 8.46 8.62 3h32B1 ARG 448 HA -0.87 0.15 0.67 -0.75 4.34 3.54 3h32B1 ARG 448 HB2 -1.35 -0.14 -0.31 -0.04 1.90 0.06 3h32B1 ARG 448 HB3 -0.42 0.16 0.06 -0.04 1.80 1.56 3h32B1 ARG 448 HG2 -0.64 -0.01 0.03 -0.04 1.67 1.01 3h32B1 ARG 448 HG3 -2.05 -0.04 0.02 -0.04 1.67 -0.45 3h32B1 ARG 448 HD2 -0.34 0.02 0.07 -0.04 3.22 2.93 3h32B1 ARG 448 HD3 -0.26 -0.03 -0.03 -0.04 3.22 2.86 3h32B1 LYS 449 H -0.06 0.05 0.15 -0.55 8.42 8.01 3h32B1 LYS 449 HA -0.01 0.17 0.56 -0.75 4.32 4.28 3h32B1 LYS 449 HB2 -0.12 0.13 -0.24 -0.04 1.87 1.60 3h32B1 LYS 449 HB3 -0.09 -0.10 0.14 -0.04 1.79 1.70 3h32B1 LYS 449 HG2 -0.08 -0.07 -0.12 -0.04 1.46 1.14 3h32B1 LYS 449 HG3 -0.08 0.19 0.22 -0.04 1.46 1.75 3h32B1 LYS 449 HD2 -0.08 -0.04 -0.03 -0.04 1.69 1.50 3h32B1 LYS 449 HD3 -0.08 -0.03 -0.01 -0.04 1.68 1.52 3h32B1 LYS 449 HE2 -0.09 -0.01 0.04 -0.04 2.99 2.89 3h32B1 LYS 449 HE3 -0.12 0.06 -0.02 -0.04 2.99 2.87 3h32B1 MET 450 H -0.00 0.19 0.12 -0.55 8.47 8.22 3h32B1 MET 450 HA -0.01 0.27 0.99 -0.75 4.52 5.02 3h32B1 MET 450 HB2 0.03 -0.03 -0.08 -0.04 2.15 2.03 3h32B1 MET 450 HB3 -0.03 -0.10 0.10 -0.04 2.03 1.96 3h32B1 MET 450 HG2 -0.01 -0.11 -0.11 -0.04 2.63 2.36 3h32B1 MET 450 HG3 0.02 0.04 -0.32 -0.04 2.56 2.26 3h32B1 MET 450 HE3 0.27 -0.03 -0.21 -0.04 2.10 2.09 3h32B1 SER 451 H -0.05 0.67 0.32 -0.55 8.46 8.85 3h32B1 SER 451 HA -0.03 0.12 0.89 -0.75 4.49 4.71 3h32B1 SER 451 HB2 -0.09 0.06 0.28 -0.04 3.95 4.17 3h32B1 SER 451 HB3 -0.08 -0.07 -0.20 -0.04 3.93 3.54 3h32B1 MET 452 H -0.02 0.75 0.50 -0.55 8.47 9.15 3h32B1 MET 452 HA -0.04 0.36 1.11 -0.75 4.52 5.20 3h32B1 MET 452 HB2 0.08 -0.14 0.11 -0.04 2.15 2.16 3h32B1 MET 452 HB3 0.08 0.04 0.09 -0.04 2.03 2.20 3h32B1 MET 452 HG2 0.17 0.06 -0.13 -0.04 2.63 2.69 3h32B1 MET 452 HG3 0.17 -0.10 -0.25 -0.04 2.56 2.33 3h32B1 MET 452 HE3 0.23 0.01 -0.09 -0.04 2.10 2.21 3h32B1 LYS 453 H -0.03 0.35 0.34 -0.55 8.42 8.53 3h32B1 LYS 453 HA 0.12 0.11 0.73 -0.75 4.32 4.53 3h32B1 LYS 453 HB2 0.36 -0.02 -0.24 -0.04 1.87 1.92 3h32B1 LYS 453 HB3 0.08 0.04 -0.07 -0.04 1.79 1.80 3h32B1 LYS 453 HG2 -0.40 0.03 0.15 -0.04 1.46 1.20 3h32B1 LYS 453 HG3 -0.64 0.01 -0.10 -0.04 1.46 0.68 3h32B1 LYS 453 HD2 -0.16 -0.04 -0.55 -0.04 1.69 0.90 3h32B1 LYS 453 HD3 -0.41 -0.07 -0.19 -0.04 1.68 0.98 3h32B1 LYS 453 HE2 -0.14 -0.02 -0.09 -0.04 2.99 2.69 3h32B1 LYS 453 HE3 0.01 0.04 -0.11 -0.04 2.99 2.89 3h32B1 ILE 454 H 0.22 0.67 0.35 -0.55 8.25 8.95 3h32B1 ILE 454 HA 0.38 0.34 1.16 -0.75 4.18 5.31 3h32B1 ILE 454 HB 0.12 0.04 0.15 -0.04 1.89 2.16 3h32B1 ILE 454 HG12 0.07 0.01 0.02 -0.04 1.49 1.55 3h32B1 ILE 454 HG13 0.13 0.02 0.23 -0.04 1.21 1.55 3h32B1 ILE 454 HG23 0.25 -0.01 -0.04 -0.04 0.93 1.09 3h32B1 ILE 454 HD13 0.03 0.00 -0.19 -0.04 0.88 0.68 3h32B1 ARG 455 H 0.09 0.37 0.27 -0.55 8.46 8.64 3h32B1 ARG 455 HA -0.11 -0.02 0.59 -0.75 4.34 4.05 3h32B1 ARG 455 HB2 -0.61 0.00 -0.38 -0.04 1.90 0.87 3h32B1 ARG 455 HB3 -0.78 -0.00 -0.14 -0.04 1.80 0.84 3h32B1 ARG 455 HG2 -0.34 0.11 0.00 -0.04 1.67 1.40 3h32B1 ARG 455 HG3 -0.37 0.02 0.15 -0.04 1.67 1.43 3h32B1 ARG 455 HD2 -0.56 0.05 -0.15 -0.04 3.22 2.51 3h32B1 ARG 455 HD3 -1.41 -0.11 -0.41 -0.04 3.22 1.25 3h32B1 PRO 456 HA -0.11 0.26 0.48 -0.51 4.44 4.56 3h32B1 PRO 456 HB2 -0.00 0.06 -0.02 -0.04 2.28 2.27 3h32B1 PRO 456 HB3 -0.08 0.03 0.06 -0.04 2.02 1.99 3h32B1 PRO 456 HG2 -0.02 -0.05 0.08 -0.04 2.03 2.00 3h32B1 PRO 456 HG3 -0.04 0.12 0.11 -0.04 2.03 2.18 3h32B1 PRO 456 HD2 -0.13 0.13 0.23 -0.04 3.68 3.87 3h32B1 PRO 456 HD3 -0.08 0.02 0.22 -0.04 3.65 3.78 3h32B1 PHE 457 H -0.20 0.22 -0.07 -0.55 8.34 7.73 3h32B1 PHE 457 HA -0.08 0.15 0.41 -0.75 4.62 4.34 3h32B1 PHE 457 HB2 -0.17 0.01 -0.15 -0.04 3.15 2.79 3h32B1 PHE 457 HB3 -0.37 -0.16 0.18 -0.04 3.06 2.68 3h32B1 PHE 457 HD2 -0.03 0.01 -0.15 -0.04 7.28 7.07 3h32B1 PHE 457 HE2 0.02 -0.03 0.00 -0.04 7.38 7.33 3h32B1 PHE 457 HZ 0.02 -0.05 0.02 -0.04 7.32 7.27 3h32B1 PHE 458 H -0.34 0.09 0.02 -0.55 8.34 7.56 3h32B1 PHE 458 HA -0.24 0.02 0.18 -0.75 4.62 3.82 3h32B1 PHE 458 HB2 0.00 0.27 -0.10 -0.04 3.15 3.28 3h32B1 PHE 458 HB3 -0.05 -0.01 0.03 -0.04 3.06 2.99 3h32B1 PHE 458 HD2 -0.06 0.04 -0.09 -0.04 7.28 7.12 3h32B1 PHE 458 HE2 -0.03 0.01 -0.01 -0.04 7.38 7.31 3h32B1 PHE 458 HZ -0.01 0.02 0.01 -0.04 7.32 7.30