============================================================================= 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. HIS 6 0.900 2.265 51.374 2.241 -99.200 -91.000 TYR 16 0.840 23.704 38.344 6.181 -99.200 -91.000 PHE 19 1.000 19.042 45.412 7.666 -99.200 -91.000 TYR 23 0.840 19.480 36.044 14.055 -99.200 -91.000 TYR 36 0.840 8.481 37.825 29.707 -99.200 -91.000 TYR 39 0.840 14.683 30.474 34.376 -99.200 -91.000 TYR 42 0.840 11.694 39.039 27.476 -99.200 -91.000 TRP 51 1.040 -0.578 36.795 14.441 -99.200 -91.000 TRP6 51 1.020 -1.665 37.184 12.340 -99.200 -91.000 HIS 52 0.900 -1.275 39.786 17.804 -99.200 -91.000 TRP 57 1.040 -1.747 44.045 3.699 -99.200 -91.000 TRP6 57 1.020 -2.111 42.297 2.101 -99.200 -91.000 HIS 60 0.900 -10.673 42.766 0.912 -99.200 -91.000 TYR 67 0.840 6.307 50.664 3.783 -99.200 -91.000 TYR 71 0.840 2.363 47.032 19.298 -99.200 -91.000 PHE 73 1.000 2.915 56.331 15.147 -99.200 -91.000 PHE 77 1.000 2.965 49.647 23.216 -99.200 -91.000 PHE 89 1.000 8.114 49.687 21.785 -99.200 -91.000 PHE 91 1.000 14.534 40.664 24.607 -99.200 -91.000 HIS 96 0.900 14.115 50.867 16.776 -99.200 -91.000 PHE 99 1.000 22.520 47.362 16.146 -99.200 -91.000 TRP 101 1.040 21.218 51.115 11.480 -99.200 -91.000 TRP6 101 1.020 20.483 49.329 10.064 -99.200 -91.000 PHE 108 1.000 8.117 47.084 16.447 -99.200 -91.000 TRP 126 1.040 13.241 40.287 7.881 -99.200 -91.000 TRP6 126 1.020 14.713 42.177 7.815 -99.200 -91.000 TYR 153 0.840 -13.066 35.196 13.108 -99.200 -91.000 PHE 157 1.000 -8.330 37.688 11.088 -99.200 -91.000 PHE 158 1.000 -5.169 33.437 9.258 -99.200 -91.000 HIS 175 0.900 -1.760 29.707 18.832 -99.200 -91.000 HIS 181 0.900 1.244 34.506 28.993 -99.200 -91.000 TYR 187 0.840 -9.561 32.148 25.471 -99.200 -91.000 TRP 191 1.040 -1.856 26.551 22.247 -99.200 -91.000 TRP6 191 1.020 -0.920 28.701 22.740 -99.200 -91.000 PHE 198 1.000 7.919 26.634 15.010 -99.200 -91.000 PHE 202 1.000 -1.506 24.050 16.962 -99.200 -91.000 TYR 203 0.840 0.614 21.454 13.070 -99.200 -91.000 TRP 211 1.040 -7.343 18.158 22.822 -99.200 -91.000 TRP6 211 1.020 -5.787 19.475 24.081 -99.200 -91.000 TRP 223 1.040 -12.318 22.460 22.984 -99.200 -91.000 TRP6 223 1.020 -13.683 20.498 23.157 -99.200 -91.000 TYR 229 0.840 0.185 18.964 27.089 -99.200 -91.000 TYR 236 0.840 -11.124 20.034 19.895 -99.200 -91.000 TYR 244 0.840 -8.927 25.263 8.359 -99.200 -91.000 TYR 251 0.840 1.679 21.163 7.639 -99.200 -91.000 PHE 258 1.000 5.210 23.563 11.641 -99.200 -91.000 PHE 259 1.000 10.871 23.255 11.868 -99.200 -91.000 PHE 262 1.000 5.822 29.369 11.170 -99.200 -91.000 PHE 266 1.000 6.628 34.829 11.197 -99.200 -91.000 PHE 276 1.000 10.312 43.737 -0.305 -99.200 -91.000 PHE 284 1.000 19.384 41.003 3.050 -99.200 -91.000 PHE 286 1.000 19.624 38.468 8.600 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gb8A12 THR 1 HA -0.01 -0.09 0.20 -0.75 4.39 3.73 2gb8A12 THR 1 HB -0.01 -0.10 0.05 -0.04 4.32 4.22 2gb8A12 THR 1 HG23 -0.01 0.01 -0.06 -0.04 1.22 1.12 2gb8A12 THR 2 H -0.01 0.11 0.07 -0.55 8.28 7.91 2gb8A12 THR 2 HA -0.01 -0.04 0.36 -0.75 4.39 3.95 2gb8A12 THR 2 HB -0.01 -0.08 -0.40 -0.04 4.32 3.79 2gb8A12 THR 2 HG23 -0.02 0.01 -0.03 -0.04 1.22 1.14 2gb8A12 PRO 3 HA -0.02 0.05 0.41 -0.51 4.44 4.37 2gb8A12 PRO 3 HB2 -0.00 0.19 -0.07 -0.04 2.28 2.35 2gb8A12 PRO 3 HB3 -0.02 -0.07 -0.08 -0.04 2.02 1.81 2gb8A12 PRO 3 HG2 0.00 0.03 -0.03 -0.04 2.03 2.00 2gb8A12 PRO 3 HG3 -0.00 0.07 -0.01 -0.04 2.03 2.04 2gb8A12 PRO 3 HD2 -0.01 0.06 0.17 -0.04 3.68 3.86 2gb8A12 PRO 3 HD3 -0.01 0.08 0.19 -0.04 3.65 3.87 2gb8A12 LEU 4 H -0.04 0.25 0.17 -0.55 8.37 8.21 2gb8A12 LEU 4 HA -0.12 0.06 0.56 -0.75 4.35 4.10 2gb8A12 LEU 4 HB2 -0.15 0.16 0.11 -0.04 1.64 1.72 2gb8A12 LEU 4 HB3 -0.33 -0.04 0.04 -0.04 1.64 1.28 2gb8A12 LEU 4 HG -0.04 0.01 0.01 -0.04 1.64 1.58 2gb8A12 LEU 4 HD13 0.03 0.03 0.04 -0.04 0.93 0.99 2gb8A12 LEU 4 HD23 0.01 -0.02 0.02 -0.04 0.89 0.86 2gb8A12 VAL 5 H -0.22 0.15 0.17 -0.55 8.24 7.79 2gb8A12 VAL 5 HA -0.21 0.18 0.81 -0.75 4.13 4.16 2gb8A12 VAL 5 HB -0.11 -0.04 0.10 -0.04 2.12 2.04 2gb8A12 VAL 5 HG13 -0.09 -0.02 -0.14 -0.04 0.97 0.68 2gb8A12 VAL 5 HG23 -0.07 0.05 -0.15 -0.04 0.95 0.74 2gb8A12 HIS 6 H -0.24 0.29 0.07 -0.55 8.41 7.98 2gb8A12 HIS 6 HA -0.48 0.09 0.71 -0.75 4.63 4.20 2gb8A12 HIS 6 HB2 -0.46 0.32 0.34 -0.04 3.26 3.43 2gb8A12 HIS 6 HB3 -1.71 -0.07 0.02 -0.04 3.20 1.40 2gb8A12 HIS 6 HD2 -0.03 0.20 0.04 -0.04 6.97 7.13 2gb8A12 HIS 6 HE1 0.06 -0.06 -0.04 -0.04 7.75 7.67 2gb8A12 VAL 7 H -0.10 0.18 0.06 -0.55 8.24 7.84 2gb8A12 VAL 7 HA -0.16 0.46 1.01 -0.75 4.13 4.70 2gb8A12 VAL 7 HB -0.00 -0.04 0.09 -0.04 2.12 2.13 2gb8A12 VAL 7 HG13 -0.03 0.06 0.02 -0.04 0.97 0.98 2gb8A12 VAL 7 HG23 -0.05 -0.01 -0.07 -0.04 0.95 0.78 2gb8A12 ALA 8 H -0.29 0.64 0.30 -0.55 8.40 8.51 2gb8A12 ALA 8 HA 0.02 0.15 0.37 -0.75 4.34 4.13 2gb8A12 ALA 8 HB3 -0.69 -0.01 -0.01 -0.04 1.41 0.66 2gb8A12 SER 9 H 0.04 0.77 0.23 -0.55 8.46 8.95 2gb8A12 SER 9 HA 0.05 0.10 0.92 -0.75 4.49 4.80 2gb8A12 SER 9 HB2 0.07 0.06 -0.10 -0.04 3.95 3.93 2gb8A12 SER 9 HB3 0.07 -0.01 0.09 -0.04 3.93 4.04 2gb8A12 VAL 10 H 0.09 0.12 0.03 -0.55 8.24 7.93 2gb8A12 VAL 10 HA 0.19 -0.05 0.43 -0.75 4.13 3.94 2gb8A12 VAL 10 HB 0.12 -0.01 0.02 -0.04 2.12 2.21 2gb8A12 VAL 10 HG13 0.24 0.04 -0.04 -0.04 0.97 1.17 2gb8A12 VAL 10 HG23 0.15 0.02 -0.00 -0.04 0.95 1.07 2gb8A12 GLU 11 H 0.34 -0.01 0.12 -0.55 8.60 8.51 2gb8A12 GLU 11 HA 0.18 0.13 0.49 -0.75 4.29 4.34 2gb8A12 GLU 11 HB2 0.53 -0.12 0.06 -0.04 2.09 2.53 2gb8A12 GLU 11 HB3 0.39 0.08 -0.09 -0.04 1.99 2.33 2gb8A12 GLU 11 HG2 0.54 0.28 -0.03 -0.04 2.34 3.09 2gb8A12 GLU 11 HG3 0.28 0.09 0.09 -0.04 2.34 2.75 2gb8A12 LYS 12 H 0.09 0.14 0.12 -0.55 8.42 8.21 2gb8A12 LYS 12 HA 0.02 -0.11 0.38 -0.75 4.32 3.86 2gb8A12 LYS 12 HB2 0.03 0.01 0.16 -0.04 1.87 2.03 2gb8A12 LYS 12 HB3 -0.01 0.02 0.09 -0.04 1.79 1.84 2gb8A12 LYS 12 HG2 0.02 -0.02 0.05 -0.04 1.46 1.47 2gb8A12 LYS 12 HG3 0.02 0.00 0.03 -0.04 1.46 1.47 2gb8A12 LYS 12 HD2 -0.02 0.06 -0.24 -0.04 1.69 1.45 2gb8A12 LYS 12 HD3 -0.00 -0.02 -0.04 -0.04 1.68 1.58 2gb8A12 LYS 12 HE2 -0.00 0.00 -0.00 -0.04 2.99 2.95 2gb8A12 LYS 12 HE3 -0.02 -0.00 -0.04 -0.04 2.99 2.90 2gb8A12 GLY 13 H 0.01 0.07 0.13 -0.55 8.43 8.09 2gb8A12 GLY 13 HA2 -0.01 0.00 0.40 -0.51 4.01 3.89 2gb8A12 GLY 13 HA3 -0.05 -0.03 0.38 -0.51 4.01 3.80 2gb8A12 ARG 14 H -0.01 0.17 0.07 -0.55 8.46 8.14 2gb8A12 ARG 14 HA -0.32 0.19 0.79 -0.75 4.34 4.25 2gb8A12 ARG 14 HB2 -0.04 -0.01 -0.02 -0.04 1.90 1.79 2gb8A12 ARG 14 HB3 -0.67 -0.11 0.09 -0.04 1.80 1.07 2gb8A12 ARG 14 HG2 -0.50 0.26 -0.64 -0.04 1.67 0.75 2gb8A12 ARG 14 HG3 -0.92 -0.09 -0.21 -0.04 1.67 0.41 2gb8A12 ARG 14 HD2 -2.65 -0.08 -0.01 -0.04 3.22 0.44 2gb8A12 ARG 14 HD3 -0.92 0.03 0.07 -0.04 3.22 2.36 2gb8A12 SER 15 H -0.13 0.18 0.18 -0.55 8.46 8.15 2gb8A12 SER 15 HA 0.17 0.23 0.51 -0.75 4.49 4.65 2gb8A12 SER 15 HB2 0.11 -0.07 0.16 -0.04 3.95 4.11 2gb8A12 SER 15 HB3 0.04 0.23 -0.24 -0.04 3.93 3.93 2gb8A12 TYR 16 H 0.19 0.26 0.13 -0.55 8.29 8.31 2gb8A12 TYR 16 HA -0.40 0.14 0.40 -0.75 4.56 3.94 2gb8A12 TYR 16 HB2 0.04 0.13 0.13 -0.04 3.06 3.32 2gb8A12 TYR 16 HB3 0.02 -0.07 0.20 -0.04 2.98 3.08 2gb8A12 TYR 16 HD2 -0.17 -0.03 -0.03 -0.04 7.15 6.88 2gb8A12 TYR 16 HE2 -0.55 0.02 -0.21 -0.04 6.85 6.06 2gb8A12 GLU 17 H 0.24 0.17 -0.03 -0.55 8.60 8.43 2gb8A12 GLU 17 HA -0.05 0.06 0.33 -0.75 4.29 3.88 2gb8A12 GLU 17 HB2 0.03 -0.03 0.03 -0.04 2.09 2.09 2gb8A12 GLU 17 HB3 0.02 0.09 0.01 -0.04 1.99 2.06 2gb8A12 GLU 17 HG2 0.10 0.08 0.03 -0.04 2.34 2.51 2gb8A12 GLU 17 HG3 0.29 -0.02 0.08 -0.04 2.34 2.65 2gb8A12 ASP 18 H -0.08 0.04 -0.47 -0.55 8.40 7.35 2gb8A12 ASP 18 HA -0.17 0.08 0.40 -0.75 4.63 4.19 2gb8A12 ASP 18 HB2 -0.42 -0.06 0.18 -0.04 2.71 2.36 2gb8A12 ASP 18 HB3 -0.65 0.06 0.06 -0.04 2.70 2.13 2gb8A12 PHE 19 H 0.01 0.63 -0.04 -0.55 8.34 8.39 2gb8A12 PHE 19 HA -0.09 0.03 0.77 -0.75 4.62 4.58 2gb8A12 PHE 19 HB2 -0.01 0.09 0.15 -0.04 3.15 3.34 2gb8A12 PHE 19 HB3 -0.04 -0.04 0.03 -0.04 3.06 2.96 2gb8A12 PHE 19 HD2 -0.05 0.08 -0.05 -0.04 7.28 7.21 2gb8A12 PHE 19 HE2 0.23 -0.02 -0.06 -0.04 7.38 7.50 2gb8A12 PHE 19 HZ 0.55 -0.05 0.01 -0.04 7.32 7.79 2gb8A12 GLN 20 H -0.16 0.45 -0.12 -0.55 8.47 8.09 2gb8A12 GLN 20 HA -0.12 0.08 0.57 -0.75 4.36 4.13 2gb8A12 GLN 20 HB2 -0.54 -0.04 -0.01 -0.04 2.15 1.52 2gb8A12 GLN 20 HB3 -0.16 0.06 0.06 -0.04 2.02 1.95 2gb8A12 GLN 20 HG2 0.04 0.03 -0.06 -0.04 2.40 2.37 2gb8A12 GLN 20 HG3 0.01 -0.03 0.12 -0.04 2.39 2.45 2gb8A12 GLN 20 HE21 0.23 0.02 -0.00 -0.04 6.97 7.17 2gb8A12 GLN 20 HE22 0.26 0.00 0.03 -0.04 7.69 7.94 2gb8A12 LYS 21 H -0.14 0.30 -0.45 -0.55 8.42 7.57 2gb8A12 LYS 21 HA -0.02 0.09 0.61 -0.75 4.32 4.25 2gb8A12 LYS 21 HB2 -0.19 0.23 0.17 -0.04 1.87 2.03 2gb8A12 LYS 21 HB3 0.01 -0.02 0.05 -0.04 1.79 1.78 2gb8A12 LYS 21 HG2 0.02 -0.03 0.01 -0.04 1.46 1.42 2gb8A12 LYS 21 HG3 -0.04 0.00 0.01 -0.04 1.46 1.40 2gb8A12 LYS 21 HD2 -0.02 -0.08 -0.08 -0.04 1.69 1.46 2gb8A12 LYS 21 HD3 -0.06 0.04 0.03 -0.04 1.68 1.64 2gb8A12 LYS 21 HE2 0.10 0.03 0.01 -0.04 2.99 3.09 2gb8A12 LYS 21 HE3 0.05 -0.02 -0.01 -0.04 2.99 2.98 2gb8A12 VAL 22 H -0.34 0.24 -0.18 -0.55 8.24 7.40 2gb8A12 VAL 22 HA -0.31 0.07 0.39 -0.75 4.13 3.53 2gb8A12 VAL 22 HB -0.34 0.08 0.11 -0.04 2.12 1.93 2gb8A12 VAL 22 HG13 -0.24 0.01 -0.01 -0.04 0.97 0.69 2gb8A12 VAL 22 HG23 -0.99 0.05 0.12 -0.04 0.95 0.09 2gb8A12 TYR 23 H -0.16 0.28 -0.43 -0.55 8.29 7.42 2gb8A12 TYR 23 HA -0.28 0.05 0.30 -0.75 4.56 3.88 2gb8A12 TYR 23 HB2 -0.67 0.07 0.07 -0.04 3.06 2.49 2gb8A12 TYR 23 HB3 -0.25 0.15 0.05 -0.04 2.98 2.89 2gb8A12 TYR 23 HD2 -0.27 0.02 -0.29 -0.04 7.15 6.57 2gb8A12 TYR 23 HE2 -0.01 -0.04 -0.13 -0.04 6.85 6.63 2gb8A12 ASN 24 H 0.10 0.42 -0.23 -0.55 8.53 8.28 2gb8A12 ASN 24 HA 0.13 -0.03 0.48 -0.75 4.76 4.59 2gb8A12 ASN 24 HB2 0.06 0.20 0.25 -0.04 2.88 3.35 2gb8A12 ASN 24 HB3 0.06 -0.05 -0.01 -0.04 2.79 2.76 2gb8A12 ASN 24 HD21 0.14 0.23 0.10 -0.04 7.03 7.46 2gb8A12 ASN 24 HD22 0.10 -0.03 -0.04 -0.04 7.74 7.73 2gb8A12 ALA 25 H 0.03 0.53 -0.21 -0.55 8.40 8.20 2gb8A12 ALA 25 HA 0.01 0.01 0.38 -0.75 4.34 3.98 2gb8A12 ALA 25 HB3 0.12 0.03 0.10 -0.04 1.41 1.62 2gb8A12 ILE 26 H -0.10 0.62 -0.08 -0.55 8.25 8.15 2gb8A12 ILE 26 HA -0.09 0.01 0.33 -0.75 4.18 3.68 2gb8A12 ILE 26 HB -0.28 0.02 0.14 -0.04 1.89 1.74 2gb8A12 ILE 26 HG12 -0.11 -0.02 -0.00 -0.04 1.49 1.32 2gb8A12 ILE 26 HG13 -0.12 0.05 0.10 -0.04 1.21 1.19 2gb8A12 ILE 26 HG23 -0.07 -0.02 -0.12 -0.04 0.93 0.68 2gb8A12 ILE 26 HD13 -0.23 -0.04 -0.17 -0.04 0.88 0.40 2gb8A12 ALA 27 H -0.23 1.09 -0.11 -0.55 8.40 8.61 2gb8A12 ALA 27 HA -0.14 -0.01 0.38 -0.75 4.34 3.81 2gb8A12 ALA 27 HB3 -0.17 -0.04 0.08 -0.04 1.41 1.24 2gb8A12 LEU 28 H -0.02 0.69 -0.23 -0.55 8.37 8.27 2gb8A12 LEU 28 HA 0.03 -0.01 0.45 -0.75 4.35 4.06 2gb8A12 LEU 28 HB2 -0.00 0.22 0.20 -0.04 1.64 2.02 2gb8A12 LEU 28 HB3 0.00 -0.06 -0.06 -0.04 1.64 1.48 2gb8A12 LEU 28 HG 0.03 -0.06 0.06 -0.04 1.64 1.63 2gb8A12 LEU 28 HD13 0.03 0.01 -0.07 -0.04 0.93 0.85 2gb8A12 LEU 28 HD23 0.02 -0.02 0.03 -0.04 0.89 0.88 2gb8A12 LYS 29 H -0.01 0.62 -0.12 -0.55 8.42 8.36 2gb8A12 LYS 29 HA 0.02 -0.03 0.55 -0.75 4.32 4.11 2gb8A12 LYS 29 HB2 -0.17 0.21 0.19 -0.04 1.87 2.05 2gb8A12 LYS 29 HB3 -0.21 0.06 0.06 -0.04 1.79 1.66 2gb8A12 LYS 29 HG2 -0.10 -0.12 0.17 -0.04 1.46 1.37 2gb8A12 LYS 29 HG3 -0.21 -0.01 0.06 -0.04 1.46 1.27 2gb8A12 LYS 29 HD2 -1.05 0.12 0.07 -0.04 1.69 0.78 2gb8A12 LYS 29 HD3 -0.90 -0.05 0.06 -0.04 1.68 0.74 2gb8A12 LYS 29 HE2 -0.24 -0.05 0.03 -0.04 2.99 2.69 2gb8A12 LYS 29 HE3 -0.34 -0.02 0.03 -0.04 2.99 2.61 2gb8A12 LEU 30 H 0.12 0.40 -0.55 -0.55 8.37 7.79 2gb8A12 LEU 30 HA 0.14 -0.03 0.39 -0.75 4.35 4.10 2gb8A12 LEU 30 HB2 0.04 0.14 0.05 -0.04 1.64 1.84 2gb8A12 LEU 30 HB3 0.02 0.10 -0.05 -0.04 1.64 1.67 2gb8A12 LEU 30 HG -0.02 -0.15 0.02 -0.04 1.64 1.45 2gb8A12 LEU 30 HD13 -0.20 -0.00 -0.21 -0.04 0.93 0.47 2gb8A12 LEU 30 HD23 -0.04 0.00 -0.06 -0.04 0.89 0.75 2gb8A12 ARG 31 H 0.06 0.19 -0.30 -0.55 8.46 7.86 2gb8A12 ARG 31 HA 0.05 0.04 0.48 -0.75 4.34 4.15 2gb8A12 ARG 31 HB2 0.04 -0.01 0.22 -0.04 1.90 2.11 2gb8A12 ARG 31 HB3 0.04 0.12 0.23 -0.04 1.80 2.14 2gb8A12 ARG 31 HG2 0.04 -0.00 0.08 -0.04 1.67 1.75 2gb8A12 ARG 31 HG3 0.04 -0.02 0.08 -0.04 1.67 1.73 2gb8A12 ARG 31 HD2 0.04 -0.03 0.05 -0.04 3.22 3.23 2gb8A12 ARG 31 HD3 0.04 -0.01 -0.01 -0.04 3.22 3.20 2gb8A12 GLU 32 H 0.06 0.53 -0.02 -0.55 8.60 8.62 2gb8A12 GLU 32 HA 0.04 0.04 0.52 -0.75 4.29 4.13 2gb8A12 GLU 32 HB2 0.03 -0.01 0.14 -0.04 2.09 2.21 2gb8A12 GLU 32 HB3 0.03 -0.05 -0.05 -0.04 1.99 1.88 2gb8A12 GLU 32 HG2 0.01 -0.04 -0.02 -0.04 2.34 2.24 2gb8A12 GLU 32 HG3 0.02 -0.01 -0.00 -0.04 2.34 2.31 2gb8A12 ASP 33 H 0.16 0.75 0.02 -0.55 8.40 8.79 2gb8A12 ASP 33 HA 0.09 0.11 0.80 -0.75 4.63 4.88 2gb8A12 ASP 33 HB2 0.44 0.08 0.21 -0.04 2.71 3.40 2gb8A12 ASP 33 HB3 0.32 -0.12 0.22 -0.04 2.70 3.08 2gb8A12 ASP 34 H 0.00 0.48 -0.54 -0.55 8.40 7.79 2gb8A12 ASP 34 HA -0.05 0.02 0.34 -0.75 4.63 4.18 2gb8A12 ASP 34 HB2 -0.06 -0.01 0.09 -0.04 2.71 2.69 2gb8A12 ASP 34 HB3 -0.00 0.22 0.05 -0.04 2.70 2.93 2gb8A12 GLU 35 H -0.15 0.08 -0.70 -0.55 8.60 7.28 2gb8A12 GLU 35 HA -1.38 0.17 0.54 -0.75 4.29 2.88 2gb8A12 GLU 35 HB2 -0.08 -0.00 -0.04 -0.04 2.09 1.93 2gb8A12 GLU 35 HB3 -0.09 -0.04 -0.01 -0.04 1.99 1.81 2gb8A12 GLU 35 HG2 -0.51 0.07 -0.08 -0.04 2.34 1.77 2gb8A12 GLU 35 HG3 -0.12 0.03 -0.03 -0.04 2.34 2.18 2gb8A12 TYR 36 H -0.06 0.35 -0.16 -0.55 8.29 7.87 2gb8A12 TYR 36 HA -0.18 -0.10 0.42 -0.75 4.56 3.95 2gb8A12 TYR 36 HB2 -0.57 0.08 0.10 -0.04 3.06 2.64 2gb8A12 TYR 36 HB3 -0.78 -0.04 -0.09 -0.04 2.98 2.03 2gb8A12 TYR 36 HD2 -0.43 0.13 -0.13 -0.04 7.15 6.68 2gb8A12 TYR 36 HE2 -0.13 -0.01 -0.01 -0.04 6.85 6.66 2gb8A12 ASP 37 H -0.75 0.11 0.18 -0.55 8.40 7.39 2gb8A12 ASP 37 HA -0.43 0.02 0.38 -0.75 4.63 3.85 2gb8A12 ASP 37 HB2 -0.79 0.02 -0.34 -0.04 2.71 1.56 2gb8A12 ASP 37 HB3 -0.25 0.07 0.15 -0.04 2.70 2.63 2gb8A12 ASN 38 H -0.08 0.09 0.06 -0.55 8.53 8.05 2gb8A12 ASN 38 HA 0.12 0.01 0.30 -0.75 4.76 4.43 2gb8A12 ASN 38 HB2 -0.01 0.10 -0.22 -0.04 2.88 2.71 2gb8A12 ASN 38 HB3 0.03 0.03 0.20 -0.04 2.79 3.01 2gb8A12 ASN 38 HD21 -0.06 -0.05 -0.18 -0.04 7.03 6.70 2gb8A12 ASN 38 HD22 -0.03 -0.01 -0.02 -0.04 7.74 7.64 2gb8A12 TYR 39 H 0.02 0.26 -0.67 -0.55 8.29 7.35 2gb8A12 TYR 39 HA -0.01 0.21 0.24 -0.75 4.56 4.24 2gb8A12 TYR 39 HB2 -0.01 0.24 0.04 -0.04 3.06 3.29 2gb8A12 TYR 39 HB3 0.00 -0.03 0.29 -0.04 2.98 3.20 2gb8A12 TYR 39 HD2 0.00 -0.05 -0.09 -0.04 7.15 6.96 2gb8A12 TYR 39 HE2 0.02 -0.04 -0.03 -0.04 6.85 6.75 2gb8A12 ILE 40 H -0.06 0.56 -0.02 -0.55 8.25 8.18 2gb8A12 ILE 40 HA 0.05 0.14 0.81 -0.75 4.18 4.42 2gb8A12 ILE 40 HB -0.05 -0.01 0.06 -0.04 1.89 1.85 2gb8A12 ILE 40 HG12 0.04 -0.07 -0.05 -0.04 1.49 1.37 2gb8A12 ILE 40 HG13 0.01 0.17 -0.10 -0.04 1.21 1.25 2gb8A12 ILE 40 HG23 0.04 -0.06 -0.08 -0.04 0.93 0.79 2gb8A12 ILE 40 HD13 0.03 -0.07 -0.04 -0.04 0.88 0.75 2gb8A12 GLY 41 H -0.09 0.30 0.02 -0.55 8.43 8.11 2gb8A12 GLY 41 HA2 -0.09 0.04 0.23 -0.51 4.01 3.68 2gb8A12 GLY 41 HA3 -0.03 0.22 0.59 -0.51 4.01 4.28 2gb8A12 TYR 42 H -0.03 0.27 0.10 -0.55 8.29 8.08 2gb8A12 TYR 42 HA -0.15 0.08 0.55 -0.75 4.56 4.29 2gb8A12 TYR 42 HB2 -0.83 0.07 0.04 -0.04 3.06 2.30 2gb8A12 TYR 42 HB3 -0.88 0.01 0.09 -0.04 2.98 2.16 2gb8A12 TYR 42 HD2 -0.44 0.03 -0.01 -0.04 7.15 6.69 2gb8A12 TYR 42 HE2 -0.43 0.03 0.04 -0.04 6.85 6.44 2gb8A12 GLY 43 H -0.04 0.16 -0.28 -0.55 8.43 7.72 2gb8A12 GLY 43 HA2 -0.06 0.04 0.38 -0.51 4.01 3.86 2gb8A12 GLY 43 HA3 -0.03 0.20 0.27 -0.51 4.01 3.94 2gb8A12 PRO 44 HA -0.03 0.09 0.20 -0.51 4.44 4.19 2gb8A12 PRO 44 HB2 0.08 0.02 -0.03 -0.04 2.28 2.30 2gb8A12 PRO 44 HB3 0.04 0.07 -0.26 -0.04 2.02 1.82 2gb8A12 PRO 44 HG2 0.06 -0.01 -0.03 -0.04 2.03 2.01 2gb8A12 PRO 44 HG3 0.05 0.13 0.05 -0.04 2.03 2.22 2gb8A12 PRO 44 HD2 0.00 0.04 -0.22 -0.04 3.68 3.46 2gb8A12 PRO 44 HD3 0.01 0.25 0.10 -0.04 3.65 3.97 2gb8A12 VAL 45 H 0.05 0.17 -0.32 -0.55 8.24 7.60 2gb8A12 VAL 45 HA 0.04 0.01 0.26 -0.75 4.13 3.69 2gb8A12 VAL 45 HB 0.14 -0.00 0.03 -0.04 2.12 2.24 2gb8A12 VAL 45 HG13 0.05 0.01 -0.11 -0.04 0.97 0.88 2gb8A12 VAL 45 HG23 0.06 -0.01 -0.05 -0.04 0.95 0.92 2gb8A12 LEU 46 H -0.02 0.51 -0.25 -0.55 8.37 8.07 2gb8A12 LEU 46 HA 0.01 -0.02 0.50 -0.75 4.35 4.08 2gb8A12 LEU 46 HB2 -0.05 0.18 0.16 -0.04 1.64 1.89 2gb8A12 LEU 46 HB3 -0.01 0.02 -0.16 -0.04 1.64 1.45 2gb8A12 LEU 46 HG -0.09 -0.06 0.04 -0.04 1.64 1.49 2gb8A12 LEU 46 HD13 -0.18 -0.00 -0.08 -0.04 0.93 0.62 2gb8A12 LEU 46 HD23 0.05 -0.02 -0.03 -0.04 0.89 0.84 2gb8A12 VAL 47 H -0.02 0.57 -0.11 -0.55 8.24 8.13 2gb8A12 VAL 47 HA 0.08 0.07 0.96 -0.75 4.13 4.49 2gb8A12 VAL 47 HB -0.21 -0.03 0.09 -0.04 2.12 1.92 2gb8A12 VAL 47 HG13 -0.14 0.03 -0.03 -0.04 0.97 0.78 2gb8A12 VAL 47 HG23 -0.12 0.08 0.02 -0.04 0.95 0.88 2gb8A12 ARG 48 H 0.01 0.63 -0.04 -0.55 8.46 8.51 2gb8A12 ARG 48 HA 0.15 0.03 0.37 -0.75 4.34 4.14 2gb8A12 ARG 48 HB2 0.01 0.07 0.00 -0.04 1.90 1.94 2gb8A12 ARG 48 HB3 -0.06 0.08 0.00 -0.04 1.80 1.79 2gb8A12 ARG 48 HG2 -0.21 -0.06 0.04 -0.04 1.67 1.40 2gb8A12 ARG 48 HG3 0.04 0.01 -0.04 -0.04 1.67 1.64 2gb8A12 ARG 48 HD2 -0.05 -0.03 -0.11 -0.04 3.22 3.00 2gb8A12 ARG 48 HD3 -0.41 -0.00 -0.14 -0.04 3.22 2.62 2gb8A12 LEU 49 H -0.01 0.51 -0.26 -0.55 8.37 8.06 2gb8A12 LEU 49 HA -0.21 0.03 0.44 -0.75 4.35 3.86 2gb8A12 LEU 49 HB2 -0.09 -0.00 0.08 -0.04 1.64 1.59 2gb8A12 LEU 49 HB3 -0.02 0.13 0.04 -0.04 1.64 1.75 2gb8A12 LEU 49 HG -0.31 -0.03 -0.15 -0.04 1.64 1.11 2gb8A12 LEU 49 HD13 -0.58 -0.00 -0.04 -0.04 0.93 0.26 2gb8A12 LEU 49 HD23 -0.20 -0.01 -0.14 -0.04 0.89 0.49 2gb8A12 ALA 50 H 0.11 0.35 -0.48 -0.55 8.40 7.83 2gb8A12 ALA 50 HA 0.15 0.02 0.35 -0.75 4.34 4.10 2gb8A12 ALA 50 HB3 0.36 0.06 0.16 -0.04 1.41 1.94 2gb8A12 TRP 51 H 0.40 0.45 -0.28 -0.55 7.97 7.99 2gb8A12 TRP 51 HA 0.22 0.02 0.46 -0.75 4.62 4.57 2gb8A12 TRP 51 HB2 0.32 -0.01 0.04 -0.04 3.23 3.54 2gb8A12 TRP 51 HB3 0.15 0.10 0.14 -0.04 3.23 3.59 2gb8A12 TRP 51 HD1 0.16 0.01 -0.03 -0.04 7.22 7.33 2gb8A12 TRP 51 HE1 0.29 -0.02 -0.08 -0.04 10.20 10.35 2gb8A12 TRP 51 HE3 0.23 0.02 0.03 -0.04 7.59 7.83 2gb8A12 TRP 51 HZ2 0.13 -0.02 -0.03 -0.04 7.44 7.49 2gb8A12 TRP 51 HZ3 0.25 0.05 -0.04 -0.04 7.13 7.35 2gb8A12 TRP 51 HH2 0.21 0.07 -0.00 -0.04 7.19 7.42 2gb8A12 HIS 52 H -0.02 0.61 -0.13 -0.55 8.41 8.32 2gb8A12 HIS 52 HA -0.82 0.02 0.29 -0.75 4.63 3.36 2gb8A12 HIS 52 HB2 -0.30 0.11 0.05 -0.04 3.26 3.08 2gb8A12 HIS 52 HB3 -0.34 -0.04 -0.10 -0.04 3.20 2.67 2gb8A12 HIS 52 HD2 -0.14 -0.05 -0.03 -0.04 6.97 6.71 2gb8A12 HIS 52 HE1 0.27 -0.05 -0.04 -0.04 7.75 7.89 2gb8A12 ILE 53 H -0.07 0.42 -0.48 -0.55 8.25 7.57 2gb8A12 ILE 53 HA -0.06 0.10 0.71 -0.75 4.18 4.17 2gb8A12 ILE 53 HB 0.09 -0.15 0.03 -0.04 1.89 1.82 2gb8A12 ILE 53 HG12 0.05 0.16 0.04 -0.04 1.49 1.71 2gb8A12 ILE 53 HG13 0.06 0.16 -0.03 -0.04 1.21 1.37 2gb8A12 ILE 53 HG23 -0.32 -0.01 -0.07 -0.04 0.93 0.49 2gb8A12 ILE 53 HD13 0.22 -0.07 -0.07 -0.04 0.88 0.92 2gb8A12 SER 54 H -0.04 0.20 -0.18 -0.55 8.46 7.89 2gb8A12 SER 54 HA 0.05 -0.03 0.65 -0.75 4.49 4.41 2gb8A12 SER 54 HB2 0.16 0.15 0.17 -0.04 3.95 4.38 2gb8A12 SER 54 HB3 0.16 0.11 0.01 -0.04 3.93 4.17 2gb8A12 GLY 55 H -0.39 0.47 0.07 -0.55 8.43 8.03 2gb8A12 GLY 55 HA2 -0.01 0.08 0.40 -0.51 4.01 3.97 2gb8A12 GLY 55 HA3 -1.15 0.02 0.25 -0.51 4.01 2.62 2gb8A12 THR 56 H -0.05 0.07 -0.80 -0.55 8.28 6.94 2gb8A12 THR 56 HA -0.01 0.14 0.59 -0.75 4.39 4.35 2gb8A12 THR 56 HB 0.05 -0.02 0.04 -0.04 4.32 4.35 2gb8A12 THR 56 HG23 -0.04 0.03 -0.08 -0.04 1.22 1.08 2gb8A12 TRP 57 H 0.24 0.27 -0.13 -0.55 7.97 7.79 2gb8A12 TRP 57 HA 0.01 0.27 0.18 -0.75 4.62 4.33 2gb8A12 TRP 57 HB2 0.03 0.04 0.09 -0.04 3.23 3.35 2gb8A12 TRP 57 HB3 0.02 -0.02 -0.04 -0.04 3.23 3.15 2gb8A12 TRP 57 HD1 0.04 0.27 -0.53 -0.04 7.22 6.96 2gb8A12 TRP 57 HE1 0.04 0.04 -0.08 -0.04 10.20 10.16 2gb8A12 TRP 57 HE3 0.02 0.01 -0.03 -0.04 7.59 7.55 2gb8A12 TRP 57 HZ2 -0.01 0.03 0.01 -0.04 7.44 7.43 2gb8A12 TRP 57 HZ3 -0.01 0.10 -0.18 -0.04 7.13 6.99 2gb8A12 TRP 57 HH2 -0.03 -0.00 -0.01 -0.04 7.19 7.11 2gb8A12 ASP 58 H -0.72 0.40 0.14 -0.55 8.40 7.68 2gb8A12 ASP 58 HA -0.40 0.22 0.79 -0.75 4.63 4.49 2gb8A12 ASP 58 HB2 -0.15 0.20 -0.01 -0.04 2.71 2.71 2gb8A12 ASP 58 HB3 -0.24 -0.19 0.24 -0.04 2.70 2.48 2gb8A12 LYS 59 H -0.94 0.75 0.22 -0.55 8.42 7.89 2gb8A12 LYS 59 HA -1.62 0.05 0.38 -0.75 4.32 2.38 2gb8A12 LYS 59 HB2 -0.41 -0.03 0.07 -0.04 1.87 1.46 2gb8A12 LYS 59 HB3 -1.00 0.11 0.07 -0.04 1.79 0.92 2gb8A12 LYS 59 HG2 -0.79 0.01 0.15 -0.04 1.46 0.80 2gb8A12 LYS 59 HG3 -0.76 -0.05 -0.23 -0.04 1.46 0.38 2gb8A12 LYS 59 HD2 -0.12 -0.06 -0.06 -0.04 1.69 1.41 2gb8A12 LYS 59 HD3 -0.18 0.13 -0.10 -0.04 1.68 1.49 2gb8A12 LYS 59 HE2 -0.28 -0.04 -0.05 -0.04 2.99 2.58 2gb8A12 LYS 59 HE3 -0.26 -0.08 -0.05 -0.04 2.99 2.56 2gb8A12 HIS 60 H -0.59 0.08 -0.30 -0.55 8.41 7.06 2gb8A12 HIS 60 HA -0.13 0.09 0.51 -0.75 4.63 4.35 2gb8A12 HIS 60 HB2 -0.15 -0.03 0.03 -0.04 3.26 3.08 2gb8A12 HIS 60 HB3 -0.10 0.02 0.01 -0.04 3.20 3.09 2gb8A12 HIS 60 HD2 -0.07 0.01 -0.00 -0.04 6.97 6.86 2gb8A12 HIS 60 HE1 -0.12 0.02 0.00 -0.04 7.75 7.61 2gb8A12 ASP 61 H -0.13 0.13 -0.03 -0.55 8.40 7.83 2gb8A12 ASP 61 HA -0.03 0.24 0.85 -0.75 4.63 4.93 2gb8A12 ASP 61 HB2 -0.02 0.01 0.10 -0.04 2.71 2.76 2gb8A12 ASP 61 HB3 -0.02 0.02 0.01 -0.04 2.70 2.67 2gb8A12 ASN 62 H -0.27 0.21 -0.04 -0.55 8.53 7.88 2gb8A12 ASN 62 HA -0.04 0.02 0.30 -0.75 4.76 4.28 2gb8A12 ASN 62 HB2 0.09 -0.03 -0.21 -0.04 2.88 2.68 2gb8A12 ASN 62 HB3 0.09 0.06 0.28 -0.04 2.79 3.18 2gb8A12 ASN 62 HD21 0.22 -0.06 0.13 -0.04 7.03 7.27 2gb8A12 ASN 62 HD22 0.31 0.31 0.21 -0.04 7.74 8.53 2gb8A12 THR 63 H -0.10 0.03 -0.03 -0.55 8.28 7.63 2gb8A12 THR 63 HA 0.19 0.21 0.88 -0.75 4.39 4.91 2gb8A12 THR 63 HB 0.07 -0.01 0.05 -0.04 4.32 4.39 2gb8A12 THR 63 HG23 0.04 0.01 -0.13 -0.04 1.22 1.10 2gb8A12 GLY 64 H 0.16 0.07 0.11 -0.55 8.43 8.23 2gb8A12 GLY 64 HA2 0.14 0.04 0.27 -0.51 4.01 3.95 2gb8A12 GLY 64 HA3 0.15 0.18 0.15 -0.51 4.01 3.98 2gb8A12 GLY 65 H 0.17 -0.03 -0.05 -0.55 8.43 7.97 2gb8A12 GLY 65 HA2 0.13 0.21 0.46 -0.51 4.01 4.29 2gb8A12 GLY 65 HA3 0.13 0.26 0.70 -0.51 4.01 4.58 2gb8A12 SER 66 H 0.01 0.32 0.17 -0.55 8.46 8.42 2gb8A12 SER 66 HA 0.10 0.07 0.38 -0.75 4.49 4.28 2gb8A12 SER 66 HB2 0.10 -0.07 0.08 -0.04 3.95 4.01 2gb8A12 SER 66 HB3 0.05 0.04 0.13 -0.04 3.93 4.12 2gb8A12 TYR 67 H 0.09 0.23 -0.14 -0.55 8.29 7.92 2gb8A12 TYR 67 HA -0.06 -0.09 0.31 -0.75 4.56 3.96 2gb8A12 TYR 67 HB2 -0.16 0.11 -0.04 -0.04 3.06 2.93 2gb8A12 TYR 67 HB3 -0.29 0.05 -0.03 -0.04 2.98 2.67 2gb8A12 TYR 67 HD2 -0.30 -0.01 -0.13 -0.04 7.15 6.67 2gb8A12 TYR 67 HE2 -0.03 0.06 -0.20 -0.04 6.85 6.64 2gb8A12 GLY 68 H 0.08 0.21 -0.17 -0.55 8.43 8.01 2gb8A12 GLY 68 HA2 -0.10 0.30 0.54 -0.51 4.01 4.24 2gb8A12 GLY 68 HA3 0.08 0.03 0.31 -0.51 4.01 3.92 2gb8A12 GLY 69 H 0.07 0.71 -0.23 -0.55 8.43 8.43 2gb8A12 GLY 69 HA2 0.29 0.08 0.24 -0.51 4.01 4.10 2gb8A12 GLY 69 HA3 0.10 -0.16 0.32 -0.51 4.01 3.75 2gb8A12 THR 70 H 0.18 0.19 -0.37 -0.55 8.28 7.73 2gb8A12 THR 70 HA 0.18 0.16 0.57 -0.75 4.39 4.55 2gb8A12 THR 70 HB 0.33 -0.06 0.03 -0.04 4.32 4.58 2gb8A12 THR 70 HG23 0.33 0.04 -0.20 -0.04 1.22 1.35 2gb8A12 TYR 71 H 0.28 0.09 -0.40 -0.55 8.29 7.72 2gb8A12 TYR 71 HA 0.06 0.09 0.39 -0.75 4.56 4.34 2gb8A12 TYR 71 HB2 -0.05 0.06 0.00 -0.04 3.06 3.03 2gb8A12 TYR 71 HB3 -0.19 -0.02 -0.06 -0.04 2.98 2.67 2gb8A12 TYR 71 HD2 -0.18 -0.01 -0.18 -0.04 7.15 6.74 2gb8A12 TYR 71 HE2 -0.13 0.06 -0.10 -0.04 6.85 6.64 2gb8A12 ARG 72 H 0.04 0.17 -0.58 -0.55 8.46 7.55 2gb8A12 ARG 72 HA -0.43 0.07 0.40 -0.75 4.34 3.64 2gb8A12 ARG 72 HB2 -0.15 -0.04 0.12 -0.04 1.90 1.79 2gb8A12 ARG 72 HB3 0.19 -0.04 0.06 -0.04 1.80 1.96 2gb8A12 ARG 72 HG2 -0.56 0.21 0.07 -0.04 1.67 1.35 2gb8A12 ARG 72 HG3 -1.06 -0.08 -0.27 -0.04 1.67 0.23 2gb8A12 ARG 72 HD2 -0.09 -0.05 0.03 -0.04 3.22 3.07 2gb8A12 ARG 72 HD3 -0.10 0.05 0.12 -0.04 3.22 3.24 2gb8A12 PHE 73 H -0.08 0.41 -0.57 -0.55 8.34 7.54 2gb8A12 PHE 73 HA -0.10 0.21 0.91 -0.75 4.62 4.89 2gb8A12 PHE 73 HB2 0.00 0.10 0.14 -0.04 3.15 3.35 2gb8A12 PHE 73 HB3 -0.02 -0.10 0.14 -0.04 3.06 3.04 2gb8A12 PHE 73 HD2 0.01 0.04 0.08 -0.04 7.28 7.36 2gb8A12 PHE 73 HE2 0.03 0.14 -0.03 -0.04 7.38 7.47 2gb8A12 PHE 73 HZ 0.03 -0.01 -0.08 -0.04 7.32 7.22 2gb8A12 LYS 74 H 0.09 0.18 0.15 -0.55 8.42 8.28 2gb8A12 LYS 74 HA 0.01 0.12 0.27 -0.75 4.32 3.96 2gb8A12 LYS 74 HB2 0.03 -0.04 0.11 -0.04 1.87 1.93 2gb8A12 LYS 74 HB3 0.02 0.06 -0.12 -0.04 1.79 1.71 2gb8A12 LYS 74 HG2 -0.03 0.03 0.01 -0.04 1.46 1.43 2gb8A12 LYS 74 HG3 -0.10 0.04 0.03 -0.04 1.46 1.38 2gb8A12 LYS 74 HD2 -0.05 0.04 0.04 -0.04 1.69 1.68 2gb8A12 LYS 74 HD3 0.01 -0.04 0.08 -0.04 1.68 1.69 2gb8A12 LYS 74 HE2 -0.00 -0.00 0.02 -0.04 2.99 2.96 2gb8A12 LYS 74 HE3 -0.00 0.00 0.00 -0.04 2.99 2.95 2gb8A12 LYS 75 H 0.08 0.07 -0.17 -0.55 8.42 7.84 2gb8A12 LYS 75 HA 0.04 0.07 0.40 -0.75 4.32 4.08 2gb8A12 LYS 75 HB2 0.04 -0.04 0.09 -0.04 1.87 1.92 2gb8A12 LYS 75 HB3 0.07 0.08 -0.01 -0.04 1.79 1.88 2gb8A12 LYS 75 HG2 0.03 0.00 -0.06 -0.04 1.46 1.39 2gb8A12 LYS 75 HG3 0.02 -0.04 0.03 -0.04 1.46 1.43 2gb8A12 LYS 75 HD2 0.01 -0.05 -0.01 -0.04 1.69 1.60 2gb8A12 LYS 75 HD3 0.01 0.01 -0.02 -0.04 1.68 1.64 2gb8A12 LYS 75 HE2 0.04 0.17 -0.39 -0.04 2.99 2.77 2gb8A12 LYS 75 HE3 0.03 -0.19 -0.10 -0.04 2.99 2.68 2gb8A12 GLU 76 H 0.11 0.10 -0.25 -0.55 8.60 8.01 2gb8A12 GLU 76 HA 0.09 0.08 0.43 -0.75 4.29 4.13 2gb8A12 GLU 76 HB2 0.15 0.02 0.08 -0.04 2.09 2.30 2gb8A12 GLU 76 HB3 0.13 0.01 0.03 -0.04 1.99 2.12 2gb8A12 GLU 76 HG2 0.14 -0.04 -0.00 -0.04 2.34 2.40 2gb8A12 GLU 76 HG3 0.12 0.13 -0.06 -0.04 2.34 2.48 2gb8A12 PHE 77 H -0.00 0.54 -0.02 -0.55 8.34 8.31 2gb8A12 PHE 77 HA -0.97 -0.00 0.35 -0.75 4.62 3.25 2gb8A12 PHE 77 HB2 -0.53 0.30 -0.09 -0.04 3.15 2.78 2gb8A12 PHE 77 HB3 -0.27 -0.10 -0.04 -0.04 3.06 2.61 2gb8A12 PHE 77 HD2 -0.85 0.14 -0.11 -0.04 7.28 6.42 2gb8A12 PHE 77 HE2 -0.33 -0.05 -0.05 -0.04 7.38 6.91 2gb8A12 PHE 77 HZ -0.10 -0.08 0.03 -0.04 7.32 7.12 2gb8A12 ASN 78 H 0.05 0.43 -0.54 -0.55 8.53 7.92 2gb8A12 ASN 78 HA -0.01 0.08 0.60 -0.75 4.76 4.67 2gb8A12 ASN 78 HB2 0.04 0.22 0.10 -0.04 2.88 3.20 2gb8A12 ASN 78 HB3 0.03 -0.10 0.10 -0.04 2.79 2.77 2gb8A12 ASN 78 HD21 0.06 0.07 -0.00 -0.04 7.03 7.12 2gb8A12 ASN 78 HD22 0.08 -0.08 -0.04 -0.04 7.74 7.66 2gb8A12 ASP 79 H 0.03 0.47 -0.36 -0.55 8.40 8.00 2gb8A12 ASP 79 HA 0.03 0.02 0.47 -0.75 4.63 4.39 2gb8A12 ASP 79 HB2 0.05 0.16 0.21 -0.04 2.71 3.09 2gb8A12 ASP 79 HB3 0.05 0.02 0.10 -0.04 2.70 2.83 2gb8A12 PRO 80 HA 0.02 0.13 0.40 -0.51 4.44 4.48 2gb8A12 PRO 80 HB2 0.03 0.03 0.05 -0.04 2.28 2.35 2gb8A12 PRO 80 HB3 0.02 0.05 0.17 -0.04 2.02 2.21 2gb8A12 PRO 80 HG2 0.02 0.00 0.07 -0.04 2.03 2.08 2gb8A12 PRO 80 HG3 0.02 0.04 0.11 -0.04 2.03 2.16 2gb8A12 PRO 80 HD2 0.02 -0.00 0.24 -0.04 3.68 3.90 2gb8A12 PRO 80 HD3 0.02 0.25 0.27 -0.04 3.65 4.15 2gb8A12 SER 81 H 0.02 0.10 -0.37 -0.55 8.46 7.66 2gb8A12 SER 81 HA 0.07 0.20 0.74 -0.75 4.49 4.75 2gb8A12 SER 81 HB2 0.00 0.07 0.09 -0.04 3.95 4.08 2gb8A12 SER 81 HB3 0.01 -0.01 0.02 -0.04 3.93 3.92 2gb8A12 ASN 82 H 0.04 0.29 -0.66 -0.55 8.53 7.65 2gb8A12 ASN 82 HA 0.17 0.14 0.73 -0.75 4.76 5.04 2gb8A12 ASN 82 HB2 0.06 0.43 0.03 -0.04 2.88 3.36 2gb8A12 ASN 82 HB3 0.11 -0.12 0.12 -0.04 2.79 2.86 2gb8A12 ASN 82 HD21 0.24 0.43 0.05 -0.04 7.03 7.71 2gb8A12 ASN 82 HD22 0.06 -0.05 -0.05 -0.04 7.74 7.66 2gb8A12 ALA 83 H 0.07 0.26 -0.40 -0.55 8.40 7.78 2gb8A12 ALA 83 HA 0.00 -0.02 0.61 -0.75 4.34 4.18 2gb8A12 ALA 83 HB3 0.04 0.05 0.18 -0.04 1.41 1.64 2gb8A12 GLY 84 H 0.01 0.13 0.25 -0.55 8.43 8.28 2gb8A12 GLY 84 HA2 0.05 -0.03 0.38 -0.51 4.01 3.90 2gb8A12 GLY 84 HA3 0.06 0.21 0.60 -0.51 4.01 4.38 2gb8A12 LEU 85 H -0.01 0.54 -0.26 -0.55 8.37 8.09 2gb8A12 LEU 85 HA 0.01 0.11 0.62 -0.75 4.35 4.33 2gb8A12 LEU 85 HB2 -0.08 0.26 0.04 -0.04 1.64 1.82 2gb8A12 LEU 85 HB3 -0.17 -0.05 0.04 -0.04 1.64 1.41 2gb8A12 LEU 85 HG -0.07 0.04 -0.24 -0.04 1.64 1.33 2gb8A12 LEU 85 HD13 -0.25 0.02 -0.07 -0.04 0.93 0.59 2gb8A12 LEU 85 HD23 -0.14 -0.03 -0.16 -0.04 0.89 0.52 2gb8A12 GLN 86 H -0.02 0.08 -0.16 -0.55 8.47 7.82 2gb8A12 GLN 86 HA 0.23 0.15 0.48 -0.75 4.36 4.46 2gb8A12 GLN 86 HB2 0.10 -0.04 0.05 -0.04 2.15 2.22 2gb8A12 GLN 86 HB3 0.27 0.03 0.04 -0.04 2.02 2.32 2gb8A12 GLN 86 HG2 0.15 0.05 0.02 -0.04 2.40 2.58 2gb8A12 GLN 86 HG3 -0.63 0.11 0.05 -0.04 2.39 1.88 2gb8A12 GLN 86 HE21 0.05 0.03 0.03 -0.04 6.97 7.04 2gb8A12 GLN 86 HE22 0.01 -0.03 0.09 -0.04 7.69 7.72 2gb8A12 ASN 87 H 0.10 0.20 -0.42 -0.55 8.53 7.86 2gb8A12 ASN 87 HA 0.11 0.04 0.32 -0.75 4.76 4.48 2gb8A12 ASN 87 HB2 0.11 0.27 0.07 -0.04 2.88 3.29 2gb8A12 ASN 87 HB3 -0.03 -0.00 -0.01 -0.04 2.79 2.70 2gb8A12 ASN 87 HD21 0.10 0.06 0.05 -0.04 7.03 7.19 2gb8A12 ASN 87 HD22 0.11 -0.00 0.02 -0.04 7.74 7.82 2gb8A12 GLY 88 H 0.11 0.25 -0.54 -0.55 8.43 7.71 2gb8A12 GLY 88 HA2 0.04 0.08 0.52 -0.51 4.01 4.13 2gb8A12 GLY 88 HA3 0.06 0.12 0.20 -0.51 4.01 3.87 2gb8A12 PHE 89 H 0.29 0.40 -0.13 -0.55 8.34 8.35 2gb8A12 PHE 89 HA 0.18 0.06 0.36 -0.75 4.62 4.47 2gb8A12 PHE 89 HB2 0.43 0.04 0.05 -0.04 3.15 3.63 2gb8A12 PHE 89 HB3 0.38 0.06 0.15 -0.04 3.06 3.61 2gb8A12 PHE 89 HD2 0.16 -0.00 -0.17 -0.04 7.28 7.23 2gb8A12 PHE 89 HE2 0.18 -0.02 -0.07 -0.04 7.38 7.42 2gb8A12 PHE 89 HZ 0.00 0.01 -0.03 -0.04 7.32 7.26 2gb8A12 LYS 90 H 0.26 0.55 -0.11 -0.55 8.42 8.57 2gb8A12 LYS 90 HA 0.03 0.03 0.49 -0.75 4.32 4.11 2gb8A12 LYS 90 HB2 0.09 0.06 0.07 -0.04 1.87 2.05 2gb8A12 LYS 90 HB3 0.04 -0.02 -0.01 -0.04 1.79 1.77 2gb8A12 LYS 90 HG2 0.30 0.05 0.04 -0.04 1.46 1.80 2gb8A12 LYS 90 HG3 0.15 -0.05 -0.05 -0.04 1.46 1.48 2gb8A12 LYS 90 HD2 0.08 -0.01 0.03 -0.04 1.69 1.75 2gb8A12 LYS 90 HD3 0.18 0.01 -0.02 -0.04 1.68 1.81 2gb8A12 LYS 90 HE2 0.11 -0.01 -0.03 -0.04 2.99 3.01 2gb8A12 LYS 90 HE3 0.07 -0.01 -0.02 -0.04 2.99 2.99 2gb8A12 PHE 91 H 0.03 0.29 -0.31 -0.55 8.34 7.80 2gb8A12 PHE 91 HA -0.33 -0.00 0.37 -0.75 4.62 3.90 2gb8A12 PHE 91 HB2 -0.74 0.08 0.17 -0.04 3.15 2.62 2gb8A12 PHE 91 HB3 -0.32 0.15 0.08 -0.04 3.06 2.93 2gb8A12 PHE 91 HD2 -0.73 0.01 -0.08 -0.04 7.28 6.45 2gb8A12 PHE 91 HE2 -0.22 0.03 -0.04 -0.04 7.38 7.11 2gb8A12 PHE 91 HZ -0.12 -0.10 -0.63 -0.04 7.32 6.42 2gb8A12 LEU 92 H -0.11 0.34 -0.61 -0.55 8.37 7.44 2gb8A12 LEU 92 HA -0.28 0.16 0.98 -0.75 4.35 4.46 2gb8A12 LEU 92 HB2 -0.15 0.08 -0.06 -0.04 1.64 1.47 2gb8A12 LEU 92 HB3 -0.20 -0.08 0.02 -0.04 1.64 1.34 2gb8A12 LEU 92 HG 0.12 -0.00 -0.23 -0.04 1.64 1.49 2gb8A12 LEU 92 HD13 0.09 -0.00 -0.11 -0.04 0.93 0.87 2gb8A12 LEU 92 HD23 -0.02 0.01 -0.09 -0.04 0.89 0.75 2gb8A12 GLU 93 H -0.29 0.39 -0.14 -0.55 8.60 8.03 2gb8A12 GLU 93 HA -0.22 0.04 0.69 -0.75 4.29 4.04 2gb8A12 GLU 93 HB2 -0.10 -0.06 0.04 -0.04 2.09 1.93 2gb8A12 GLU 93 HB3 -0.37 0.01 0.08 -0.04 1.99 1.67 2gb8A12 GLU 93 HG2 -0.15 0.35 0.32 -0.04 2.34 2.81 2gb8A12 GLU 93 HG3 -0.10 -0.05 0.06 -0.04 2.34 2.22 2gb8A12 PRO 94 HA -0.14 0.05 0.32 -0.51 4.44 4.16 2gb8A12 PRO 94 HB2 -0.23 0.03 0.00 -0.04 2.28 2.05 2gb8A12 PRO 94 HB3 -0.17 0.02 0.07 -0.04 2.02 1.89 2gb8A12 PRO 94 HG2 -0.37 0.12 -0.04 -0.04 2.03 1.70 2gb8A12 PRO 94 HG3 -0.29 0.04 0.03 -0.04 2.03 1.77 2gb8A12 PRO 94 HD2 -0.25 0.06 -0.19 -0.04 3.68 3.26 2gb8A12 PRO 94 HD3 -0.17 0.09 0.13 -0.04 3.65 3.67 2gb8A12 ILE 95 H -0.24 0.25 -0.19 -0.55 8.25 7.51 2gb8A12 ILE 95 HA -0.19 -0.02 0.35 -0.75 4.18 3.57 2gb8A12 ILE 95 HB -0.18 0.17 0.04 -0.04 1.89 1.87 2gb8A12 ILE 95 HG12 -0.14 -0.07 -0.06 -0.04 1.49 1.18 2gb8A12 ILE 95 HG13 -0.26 -0.07 0.04 -0.04 1.21 0.88 2gb8A12 ILE 95 HG23 0.04 -0.01 -0.02 -0.04 0.93 0.89 2gb8A12 ILE 95 HD13 -0.33 0.04 0.02 -0.04 0.88 0.57 2gb8A12 HIS 96 H -0.09 0.40 -0.71 -0.55 8.41 7.46 2gb8A12 HIS 96 HA -0.18 0.05 0.52 -0.75 4.63 4.27 2gb8A12 HIS 96 HB2 -0.22 0.14 0.12 -0.04 3.26 3.26 2gb8A12 HIS 96 HB3 -0.17 0.00 0.01 -0.04 3.20 3.00 2gb8A12 HIS 96 HD2 -0.26 0.02 -0.03 -0.04 6.97 6.66 2gb8A12 HIS 96 HE1 -0.19 -0.15 -0.09 -0.04 7.75 7.28 2gb8A12 LYS 97 H -0.10 0.56 -0.03 -0.55 8.42 8.29 2gb8A12 LYS 97 HA -0.14 0.01 0.37 -0.75 4.32 3.80 2gb8A12 LYS 97 HB2 -0.12 0.22 0.21 -0.04 1.87 2.14 2gb8A12 LYS 97 HB3 -0.12 -0.06 -0.04 -0.04 1.79 1.52 2gb8A12 LYS 97 HG2 -0.08 -0.06 0.01 -0.04 1.46 1.28 2gb8A12 LYS 97 HG3 -0.10 -0.01 0.04 -0.04 1.46 1.35 2gb8A12 LYS 97 HD2 -0.08 0.26 -0.00 -0.04 1.69 1.82 2gb8A12 LYS 97 HD3 -0.07 -0.08 -0.06 -0.04 1.68 1.44 2gb8A12 LYS 97 HE2 -0.04 -0.05 -0.04 -0.04 2.99 2.83 2gb8A12 LYS 97 HE3 -0.07 -0.03 -0.02 -0.04 2.99 2.83 2gb8A12 GLU 98 H -0.23 0.31 -0.26 -0.55 8.60 7.87 2gb8A12 GLU 98 HA -0.34 0.02 0.52 -0.75 4.29 3.73 2gb8A12 GLU 98 HB2 -0.39 -0.04 0.05 -0.04 2.09 1.67 2gb8A12 GLU 98 HB3 -0.89 0.13 0.12 -0.04 1.99 1.31 2gb8A12 GLU 98 HG2 -1.32 -0.01 -0.07 -0.04 2.34 0.90 2gb8A12 GLU 98 HG3 -0.44 -0.02 0.05 -0.04 2.34 1.89 2gb8A12 PHE 99 H -0.26 0.44 -0.26 -0.55 8.34 7.71 2gb8A12 PHE 99 HA 0.00 0.07 0.72 -0.75 4.62 4.67 2gb8A12 PHE 99 HB2 -0.34 0.11 0.24 -0.04 3.15 3.12 2gb8A12 PHE 99 HB3 -0.74 -0.16 0.20 -0.04 3.06 2.32 2gb8A12 PHE 99 HD2 0.07 0.08 0.02 -0.04 7.28 7.40 2gb8A12 PHE 99 HE2 -0.01 -0.02 -0.03 -0.04 7.38 7.27 2gb8A12 PHE 99 HZ -0.02 -0.01 -0.11 -0.04 7.32 7.14 2gb8A12 PRO 100 HA -0.38 0.16 0.40 -0.51 4.44 4.11 2gb8A12 PRO 100 HB2 -0.08 -0.06 0.08 -0.04 2.28 2.18 2gb8A12 PRO 100 HB3 -0.17 0.01 0.10 -0.04 2.02 1.91 2gb8A12 PRO 100 HG2 0.02 -0.07 0.03 -0.04 2.03 1.96 2gb8A12 PRO 100 HG3 -0.07 0.08 0.06 -0.04 2.03 2.06 2gb8A12 PRO 100 HD2 0.08 0.05 0.07 -0.04 3.68 3.85 2gb8A12 PRO 100 HD3 -0.11 0.33 -0.79 -0.04 3.65 3.05 2gb8A12 TRP 101 H -0.20 0.04 -0.64 -0.55 7.97 6.63 2gb8A12 TRP 101 HA -0.03 0.10 0.56 -0.75 4.62 4.49 2gb8A12 TRP 101 HB2 -0.02 -0.05 -0.03 -0.04 3.23 3.09 2gb8A12 TRP 101 HB3 -0.02 0.01 0.01 -0.04 3.23 3.18 2gb8A12 TRP 101 HD1 0.04 0.04 -0.02 -0.04 7.22 7.24 2gb8A12 TRP 101 HE1 0.08 0.03 0.03 -0.04 10.20 10.30 2gb8A12 TRP 101 HE3 -0.04 -0.03 -0.37 -0.04 7.59 7.12 2gb8A12 TRP 101 HZ2 -0.65 0.12 -0.01 -0.04 7.44 6.86 2gb8A12 TRP 101 HZ3 -0.27 -0.09 -0.04 -0.04 7.13 6.68 2gb8A12 TRP 101 HH2 -2.16 -0.05 -0.13 -0.04 7.19 4.81 2gb8A12 ILE 102 H -1.27 0.23 0.03 -0.55 8.25 6.68 2gb8A12 ILE 102 HA -0.24 -0.06 0.47 -0.75 4.18 3.59 2gb8A12 ILE 102 HB -1.68 -0.04 0.12 -0.04 1.89 0.25 2gb8A12 ILE 102 HG12 -0.15 0.11 -0.17 -0.04 1.49 1.24 2gb8A12 ILE 102 HG13 0.03 -0.13 0.08 -0.04 1.21 1.14 2gb8A12 ILE 102 HG23 -0.28 0.04 -0.03 -0.04 0.93 0.62 2gb8A12 ILE 102 HD13 -0.19 0.00 -0.09 -0.04 0.88 0.56 2gb8A12 SER 103 H 0.05 0.01 0.18 -0.55 8.46 8.16 2gb8A12 SER 103 HA -0.00 0.21 0.45 -0.75 4.49 4.39 2gb8A12 SER 103 HB2 -0.05 -0.09 -0.13 -0.04 3.95 3.64 2gb8A12 SER 103 HB3 0.01 0.18 0.08 -0.04 3.93 4.16 2gb8A12 SER 104 H -0.03 0.22 0.11 -0.55 8.46 8.21 2gb8A12 SER 104 HA -0.54 0.13 0.31 -0.75 4.49 3.64 2gb8A12 SER 104 HB2 -0.03 0.02 0.19 -0.04 3.95 4.09 2gb8A12 SER 104 HB3 -0.12 0.01 0.05 -0.04 3.93 3.83 2gb8A12 GLY 105 H -0.08 0.15 -0.20 -0.55 8.43 7.76 2gb8A12 GLY 105 HA2 0.12 0.09 0.44 -0.51 4.01 4.15 2gb8A12 GLY 105 HA3 -0.01 0.27 0.18 -0.51 4.01 3.95 2gb8A12 ASP 106 H -0.02 0.14 -0.39 -0.55 8.40 7.58 2gb8A12 ASP 106 HA 0.43 0.12 0.49 -0.75 4.63 4.91 2gb8A12 ASP 106 HB2 0.14 0.02 0.14 -0.04 2.71 2.97 2gb8A12 ASP 106 HB3 0.38 0.02 -0.00 -0.04 2.70 3.06 2gb8A12 LEU 107 H -0.21 0.36 -0.29 -0.55 8.37 7.67 2gb8A12 LEU 107 HA -0.25 0.03 0.50 -0.75 4.35 3.88 2gb8A12 LEU 107 HB2 -0.53 0.09 -0.05 -0.04 1.64 1.12 2gb8A12 LEU 107 HB3 -0.85 0.08 -0.00 -0.04 1.64 0.83 2gb8A12 LEU 107 HG -0.31 -0.07 -0.05 -0.04 1.64 1.17 2gb8A12 LEU 107 HD13 -0.27 0.01 -0.09 -0.04 0.93 0.54 2gb8A12 LEU 107 HD23 -0.72 0.02 -0.13 -0.04 0.89 0.01 2gb8A12 PHE 108 H -0.46 0.60 -0.01 -0.55 8.34 7.92 2gb8A12 PHE 108 HA -0.03 0.05 0.41 -0.75 4.62 4.31 2gb8A12 PHE 108 HB2 0.05 0.04 0.07 -0.04 3.15 3.27 2gb8A12 PHE 108 HB3 0.04 0.03 -0.08 -0.04 3.06 3.01 2gb8A12 PHE 108 HD2 0.04 -0.03 -0.11 -0.04 7.28 7.15 2gb8A12 PHE 108 HE2 0.06 -0.05 -0.10 -0.04 7.38 7.25 2gb8A12 PHE 108 HZ 0.49 -0.00 -0.08 -0.04 7.32 7.69 2gb8A12 SER 109 H 0.18 0.37 -0.28 -0.55 8.46 8.18 2gb8A12 SER 109 HA 0.17 0.10 0.65 -0.75 4.49 4.66 2gb8A12 SER 109 HB2 0.36 -0.01 0.00 -0.04 3.95 4.26 2gb8A12 SER 109 HB3 0.21 0.07 0.10 -0.04 3.93 4.27 2gb8A12 LEU 110 H -0.06 0.44 -0.17 -0.55 8.37 8.03 2gb8A12 LEU 110 HA -0.96 0.03 0.44 -0.75 4.35 3.10 2gb8A12 LEU 110 HB2 -1.02 0.19 0.20 -0.04 1.64 0.98 2gb8A12 LEU 110 HB3 -0.44 0.04 0.14 -0.04 1.64 1.33 2gb8A12 LEU 110 HG -0.64 -0.08 -0.02 -0.04 1.64 0.86 2gb8A12 LEU 110 HD13 -1.84 -0.01 -0.01 -0.04 0.93 -0.97 2gb8A12 LEU 110 HD23 -0.47 -0.00 -0.09 -0.04 0.89 0.29 2gb8A12 GLY 111 H -0.13 0.46 -0.41 -0.55 8.43 7.80 2gb8A12 GLY 111 HA2 -0.15 -0.05 0.24 -0.51 4.01 3.55 2gb8A12 GLY 111 HA3 -0.04 0.17 0.19 -0.51 4.01 3.82 2gb8A12 GLY 112 H 0.06 0.37 -0.40 -0.55 8.43 7.92 2gb8A12 GLY 112 HA2 0.05 0.10 0.54 -0.51 4.01 4.19 2gb8A12 GLY 112 HA3 0.25 0.07 0.34 -0.51 4.01 4.17 2gb8A12 VAL 113 H 0.06 0.46 -0.18 -0.55 8.24 8.03 2gb8A12 VAL 113 HA 0.19 0.05 0.47 -0.75 4.13 4.09 2gb8A12 VAL 113 HB -0.13 0.10 0.17 -0.04 2.12 2.23 2gb8A12 VAL 113 HG13 0.21 -0.01 -0.03 -0.04 0.97 1.10 2gb8A12 VAL 113 HG23 0.21 0.05 -0.01 -0.04 0.95 1.16 2gb8A12 THR 114 H -0.11 0.62 -0.15 -0.55 8.28 8.09 2gb8A12 THR 114 HA -0.06 0.01 0.40 -0.75 4.39 3.99 2gb8A12 THR 114 HB -0.29 0.14 0.00 -0.04 4.32 4.13 2gb8A12 THR 114 HG23 -0.91 -0.01 -0.11 -0.04 1.22 0.14 2gb8A12 ALA 115 H -0.08 0.39 -0.39 -0.55 8.40 7.77 2gb8A12 ALA 115 HA -0.08 0.02 0.53 -0.75 4.34 4.05 2gb8A12 ALA 115 HB3 -0.08 0.02 0.06 -0.04 1.41 1.37 2gb8A12 VAL 116 H -0.07 0.41 -0.30 -0.55 8.24 7.73 2gb8A12 VAL 116 HA -0.28 0.03 0.39 -0.75 4.13 3.52 2gb8A12 VAL 116 HB -0.06 0.08 0.06 -0.04 2.12 2.17 2gb8A12 VAL 116 HG13 -0.32 0.02 -0.18 -0.04 0.97 0.45 2gb8A12 VAL 116 HG23 -0.36 0.02 0.00 -0.04 0.95 0.58 2gb8A12 GLN 117 H 0.03 0.44 -0.17 -0.55 8.47 8.23 2gb8A12 GLN 117 HA 0.07 0.19 0.42 -0.75 4.36 4.29 2gb8A12 GLN 117 HB2 0.22 0.16 0.15 -0.04 2.15 2.64 2gb8A12 GLN 117 HB3 0.22 -0.10 -0.12 -0.04 2.02 1.99 2gb8A12 GLN 117 HG2 0.11 -0.06 -0.12 -0.04 2.40 2.29 2gb8A12 GLN 117 HG3 0.09 0.22 -0.06 -0.04 2.39 2.61 2gb8A12 GLN 117 HE21 0.10 0.01 -0.18 -0.04 6.97 6.86 2gb8A12 GLN 117 HE22 0.16 -0.16 -0.06 -0.04 7.69 7.59 2gb8A12 GLU 118 H 0.05 0.79 -0.11 -0.55 8.60 8.78 2gb8A12 GLU 118 HA 0.09 -0.06 0.52 -0.75 4.29 4.08 2gb8A12 GLU 118 HB2 -0.04 0.09 0.12 -0.04 2.09 2.22 2gb8A12 GLU 118 HB3 0.01 -0.05 0.07 -0.04 1.99 1.99 2gb8A12 GLU 118 HG2 0.01 0.08 0.10 -0.04 2.34 2.49 2gb8A12 GLU 118 HG3 -0.14 -0.05 0.02 -0.04 2.34 2.12 2gb8A12 MET 119 H 0.01 0.43 -0.39 -0.55 8.47 7.97 2gb8A12 MET 119 HA 0.06 0.11 0.73 -0.75 4.52 4.67 2gb8A12 MET 119 HB2 -0.02 0.04 0.14 -0.04 2.15 2.27 2gb8A12 MET 119 HB3 0.07 -0.15 0.21 -0.04 2.03 2.12 2gb8A12 MET 119 HG2 0.02 0.04 0.10 -0.04 2.63 2.76 2gb8A12 MET 119 HG3 -0.02 0.14 0.10 -0.04 2.56 2.73 2gb8A12 MET 119 HE3 -0.10 -0.01 -0.24 -0.04 2.10 1.71 2gb8A12 GLN 120 H 0.09 0.36 -0.65 -0.55 8.47 7.72 2gb8A12 GLN 120 HA 0.13 0.00 0.35 -0.75 4.36 4.09 2gb8A12 GLN 120 HB2 0.15 0.24 0.16 -0.04 2.15 2.66 2gb8A12 GLN 120 HB3 0.16 -0.09 0.26 -0.04 2.02 2.31 2gb8A12 GLN 120 HG2 0.10 -0.04 0.02 -0.04 2.40 2.44 2gb8A12 GLN 120 HG3 0.09 0.04 -0.26 -0.04 2.39 2.22 2gb8A12 GLN 120 HE21 0.09 0.01 0.04 -0.04 6.97 7.06 2gb8A12 GLN 120 HE22 0.06 -0.06 0.00 -0.04 7.69 7.66 2gb8A12 GLY 121 H 0.08 0.53 0.03 -0.55 8.43 8.53 2gb8A12 GLY 121 HA2 0.16 0.11 0.58 -0.51 4.01 4.34 2gb8A12 GLY 121 HA3 -0.04 -0.03 0.24 -0.51 4.01 3.67 2gb8A12 PRO 122 HA 0.05 0.06 0.37 -0.51 4.44 4.42 2gb8A12 PRO 122 HB2 -0.06 0.15 -0.05 -0.04 2.28 2.27 2gb8A12 PRO 122 HB3 -0.07 -0.03 0.05 -0.04 2.02 1.92 2gb8A12 PRO 122 HG2 -0.17 0.03 -0.09 -0.04 2.03 1.75 2gb8A12 PRO 122 HG3 -0.71 0.04 0.10 -0.04 2.03 1.43 2gb8A12 PRO 122 HD2 -0.38 0.07 0.08 -0.04 3.68 3.41 2gb8A12 PRO 122 HD3 -2.30 0.13 0.14 -0.04 3.65 1.58 2gb8A12 LYS 123 H 0.04 0.06 0.13 -0.55 8.42 8.10 2gb8A12 LYS 123 HA 0.08 0.08 0.42 -0.75 4.32 4.15 2gb8A12 LYS 123 HB2 0.05 -0.02 0.08 -0.04 1.87 1.93 2gb8A12 LYS 123 HB3 0.06 -0.01 -0.05 -0.04 1.79 1.76 2gb8A12 LYS 123 HG2 0.07 0.03 -0.03 -0.04 1.46 1.49 2gb8A12 LYS 123 HG3 0.05 -0.02 0.02 -0.04 1.46 1.47 2gb8A12 LYS 123 HD2 0.06 -0.04 -0.04 -0.04 1.69 1.62 2gb8A12 LYS 123 HD3 0.08 0.05 -0.02 -0.04 1.68 1.75 2gb8A12 LYS 123 HE2 0.06 -0.02 -0.01 -0.04 2.99 2.98 2gb8A12 LYS 123 HE3 0.04 -0.04 -0.03 -0.04 2.99 2.93 2gb8A12 ILE 124 H 0.13 0.12 0.10 -0.55 8.25 8.05 2gb8A12 ILE 124 HA 0.08 0.25 1.07 -0.75 4.18 4.82 2gb8A12 ILE 124 HB 0.20 -0.08 0.14 -0.04 1.89 2.11 2gb8A12 ILE 124 HG12 0.10 -0.01 -0.17 -0.04 1.49 1.37 2gb8A12 ILE 124 HG13 0.07 -0.00 -0.74 -0.04 1.21 0.50 2gb8A12 ILE 124 HG23 0.19 0.04 -0.10 -0.04 0.93 1.02 2gb8A12 ILE 124 HD13 0.18 -0.01 -0.07 -0.04 0.88 0.93 2gb8A12 PRO 125 HA 0.11 0.23 0.27 -0.51 4.44 4.54 2gb8A12 PRO 125 HB2 -0.05 0.00 -0.13 -0.04 2.28 2.07 2gb8A12 PRO 125 HB3 -0.02 -0.00 -0.07 -0.04 2.02 1.89 2gb8A12 PRO 125 HG2 -0.02 0.04 -0.00 -0.04 2.03 2.01 2gb8A12 PRO 125 HG3 -0.02 0.01 -0.01 -0.04 2.03 1.97 2gb8A12 PRO 125 HD2 0.04 0.17 0.20 -0.04 3.68 4.05 2gb8A12 PRO 125 HD3 0.03 0.10 -0.01 -0.04 3.65 3.74 2gb8A12 TRP 126 H 0.25 0.34 0.35 -0.55 7.97 8.37 2gb8A12 TRP 126 HA 0.02 0.19 0.87 -0.75 4.62 4.96 2gb8A12 TRP 126 HB2 0.20 0.21 -0.16 -0.04 3.23 3.43 2gb8A12 TRP 126 HB3 0.43 -0.11 -0.01 -0.04 3.23 3.50 2gb8A12 TRP 126 HD1 0.02 0.09 -0.02 -0.04 7.22 7.27 2gb8A12 TRP 126 HE1 0.01 -0.06 -0.10 -0.04 10.20 10.00 2gb8A12 TRP 126 HE3 0.41 -0.07 -0.29 -0.04 7.59 7.59 2gb8A12 TRP 126 HZ2 -0.03 -0.05 0.17 -0.04 7.44 7.49 2gb8A12 TRP 126 HZ3 -0.96 -0.09 -0.15 -0.04 7.13 5.90 2gb8A12 TRP 126 HH2 -0.21 -0.13 -0.01 -0.04 7.19 6.80 2gb8A12 ARG 127 H -1.23 0.26 0.17 -0.55 8.46 7.10 2gb8A12 ARG 127 HA -0.35 0.08 0.87 -0.75 4.34 4.19 2gb8A12 ARG 127 HB2 -0.55 0.01 -0.02 -0.04 1.90 1.30 2gb8A12 ARG 127 HB3 -0.27 0.14 0.01 -0.04 1.80 1.64 2gb8A12 ARG 127 HG2 -0.47 0.13 -0.04 -0.04 1.67 1.25 2gb8A12 ARG 127 HG3 -0.41 -0.11 -0.40 -0.04 1.67 0.71 2gb8A12 ARG 127 HD2 -0.54 -0.03 -0.08 -0.04 3.22 2.53 2gb8A12 ARG 127 HD3 -1.08 -0.01 -0.08 -0.04 3.22 2.01 2gb8A12 CYS 128 H -0.20 0.19 0.15 -0.55 8.50 8.09 2gb8A12 CYS 128 HA -0.73 0.18 0.85 -0.75 4.58 4.12 2gb8A12 CYS 128 HB2 0.01 -0.07 0.09 -0.04 2.97 2.96 2gb8A12 CYS 128 HB3 -0.66 0.02 -0.03 -0.04 2.97 2.26 2gb8A12 GLY 129 H 0.04 0.11 0.16 -0.55 8.43 8.20 2gb8A12 GLY 129 HA2 0.07 0.27 -0.05 -0.51 4.01 3.79 2gb8A12 GLY 129 HA3 -0.02 0.16 0.59 -0.51 4.01 4.23 2gb8A12 ARG 130 H -0.05 -0.03 -0.02 -0.55 8.46 7.81 2gb8A12 ARG 130 HA -0.27 0.11 0.38 -0.75 4.34 3.80 2gb8A12 ARG 130 HB2 -0.04 -0.23 -0.05 -0.04 1.90 1.54 2gb8A12 ARG 130 HB3 -0.21 0.42 0.04 -0.04 1.80 2.00 2gb8A12 ARG 130 HG2 -0.00 0.00 -0.14 -0.04 1.67 1.49 2gb8A12 ARG 130 HG3 -0.03 -0.02 -0.10 -0.04 1.67 1.47 2gb8A12 ARG 130 HD2 0.10 -0.15 -0.59 -0.04 3.22 2.54 2gb8A12 ARG 130 HD3 0.06 0.03 -0.37 -0.04 3.22 2.90 2gb8A12 VAL 131 H -1.24 0.31 0.20 -0.55 8.24 6.96 2gb8A12 VAL 131 HA -0.14 0.03 0.80 -0.75 4.13 4.06 2gb8A12 VAL 131 HB -0.21 -0.00 0.07 -0.04 2.12 1.93 2gb8A12 VAL 131 HG13 0.02 0.05 0.08 -0.04 0.97 1.07 2gb8A12 VAL 131 HG23 0.03 0.05 -0.01 -0.04 0.95 0.97 2gb8A12 ASP 132 H -0.06 0.10 0.16 -0.55 8.40 8.05 2gb8A12 ASP 132 HA -0.03 0.16 0.56 -0.75 4.63 4.57 2gb8A12 ASP 132 HB2 0.01 0.00 0.16 -0.04 2.71 2.84 2gb8A12 ASP 132 HB3 0.05 0.06 0.00 -0.04 2.70 2.78 2gb8A12 THR 133 H 0.12 0.44 0.25 -0.55 8.28 8.54 2gb8A12 THR 133 HA 0.11 0.15 0.83 -0.75 4.39 4.73 2gb8A12 THR 133 HB 0.14 -0.01 0.05 -0.04 4.32 4.46 2gb8A12 THR 133 HG23 0.18 0.03 -0.19 -0.04 1.22 1.20 2gb8A12 PRO 134 HA 0.05 0.05 0.39 -0.51 4.44 4.42 2gb8A12 PRO 134 HB2 -0.03 -0.12 0.07 -0.04 2.28 2.16 2gb8A12 PRO 134 HB3 0.02 0.09 0.16 -0.04 2.02 2.24 2gb8A12 PRO 134 HG2 0.04 0.02 0.09 -0.04 2.03 2.13 2gb8A12 PRO 134 HG3 0.04 0.10 0.10 -0.04 2.03 2.24 2gb8A12 PRO 134 HD2 0.10 0.16 0.25 -0.04 3.68 4.15 2gb8A12 PRO 134 HD3 0.08 0.20 0.21 -0.04 3.65 4.09 2gb8A12 GLU 135 H -0.29 0.16 0.19 -0.55 8.60 8.12 2gb8A12 GLU 135 HA -1.78 0.12 0.41 -0.75 4.29 2.28 2gb8A12 GLU 135 HB2 -0.55 0.01 0.18 -0.04 2.09 1.69 2gb8A12 GLU 135 HB3 -0.32 0.03 0.02 -0.04 1.99 1.67 2gb8A12 GLU 135 HG2 -0.36 0.03 0.08 -0.04 2.34 2.05 2gb8A12 GLU 135 HG3 -1.20 -0.00 0.16 -0.04 2.34 1.25 2gb8A12 ASP 136 H -0.14 -0.08 -0.81 -0.55 8.40 6.82 2gb8A12 ASP 136 HA -0.09 0.20 0.76 -0.75 4.63 4.75 2gb8A12 ASP 136 HB2 -0.03 0.05 0.08 -0.04 2.71 2.77 2gb8A12 ASP 136 HB3 -0.05 -0.05 0.03 -0.04 2.70 2.59 2gb8A12 THR 137 H -0.02 0.66 -0.19 -0.55 8.28 8.17 2gb8A12 THR 137 HA 0.06 0.10 0.43 -0.75 4.39 4.23 2gb8A12 THR 137 HB 0.12 -0.03 0.13 -0.04 4.32 4.50 2gb8A12 THR 137 HG23 0.11 -0.02 -0.01 -0.04 1.22 1.26 2gb8A12 THR 138 H -0.03 0.22 -0.83 -0.55 8.28 7.10 2gb8A12 THR 138 HA 0.12 0.10 0.52 -0.75 4.39 4.38 2gb8A12 THR 138 HB 0.01 -0.01 0.11 -0.04 4.32 4.39 2gb8A12 THR 138 HG23 0.14 -0.02 -0.11 -0.04 1.22 1.19 2gb8A12 PRO 139 HA 0.05 -0.01 0.36 -0.51 4.44 4.34 2gb8A12 PRO 139 HB2 0.05 0.13 -0.06 -0.04 2.28 2.36 2gb8A12 PRO 139 HB3 0.06 0.02 0.08 -0.04 2.02 2.14 2gb8A12 PRO 139 HG2 0.09 -0.01 0.02 -0.04 2.03 2.09 2gb8A12 PRO 139 HG3 0.10 -0.02 0.07 -0.04 2.03 2.14 2gb8A12 PRO 139 HD2 0.14 -0.03 0.19 -0.04 3.68 3.93 2gb8A12 PRO 139 HD3 0.11 0.35 0.33 -0.04 3.65 4.40 2gb8A12 ASP 140 H 0.03 0.06 0.15 -0.55 8.40 8.10 2gb8A12 ASP 140 HA 0.03 0.06 0.46 -0.75 4.63 4.43 2gb8A12 ASP 140 HB2 0.02 -0.02 0.08 -0.04 2.71 2.76 2gb8A12 ASP 140 HB3 0.02 0.08 0.06 -0.04 2.70 2.82 2gb8A12 ASN 141 H 0.03 0.06 0.16 -0.55 8.53 8.24 2gb8A12 ASN 141 HA 0.02 0.07 0.41 -0.75 4.76 4.51 2gb8A12 ASN 141 HB2 0.02 -0.02 0.12 -0.04 2.88 2.96 2gb8A12 ASN 141 HB3 0.02 -0.03 -0.04 -0.04 2.79 2.70 2gb8A12 ASN 141 HD21 0.04 -0.01 -0.08 -0.04 7.03 6.94 2gb8A12 ASN 141 HD22 0.04 0.47 0.02 -0.04 7.74 8.23 2gb8A12 GLY 142 H 0.01 0.09 0.17 -0.55 8.43 8.16 2gb8A12 GLY 142 HA2 0.03 0.04 0.35 -0.51 4.01 3.92 2gb8A12 GLY 142 HA3 0.04 0.26 0.93 -0.51 4.01 4.73 2gb8A12 ARG 143 H 0.03 0.12 0.04 -0.55 8.46 8.09 2gb8A12 ARG 143 HA 0.12 0.18 0.73 -0.75 4.34 4.61 2gb8A12 ARG 143 HB2 0.02 -0.04 0.11 -0.04 1.90 1.95 2gb8A12 ARG 143 HB3 0.02 0.15 0.18 -0.04 1.80 2.11 2gb8A12 ARG 143 HG2 0.02 -0.02 -0.03 -0.04 1.67 1.60 2gb8A12 ARG 143 HG3 0.03 -0.04 -0.15 -0.04 1.67 1.47 2gb8A12 ARG 143 HD2 0.01 0.22 0.05 -0.04 3.22 3.46 2gb8A12 ARG 143 HD3 -0.02 -0.05 -0.05 -0.04 3.22 3.06 2gb8A12 LEU 144 H 0.03 -0.12 -0.32 -0.55 8.37 7.41 2gb8A12 LEU 144 HA 0.17 0.30 0.74 -0.75 4.35 4.80 2gb8A12 LEU 144 HB2 -0.17 -0.16 -0.03 -0.04 1.64 1.24 2gb8A12 LEU 144 HB3 -0.24 0.09 -0.08 -0.04 1.64 1.36 2gb8A12 LEU 144 HG -0.22 -0.03 -0.35 -0.04 1.64 1.00 2gb8A12 LEU 144 HD13 -0.64 0.03 -0.08 -0.04 0.93 0.19 2gb8A12 LEU 144 HD23 -0.69 0.02 -0.09 -0.04 0.89 0.10 2gb8A12 PRO 145 HA -0.27 0.01 0.23 -0.51 4.44 3.90 2gb8A12 PRO 145 HB2 -0.13 0.05 -0.11 -0.04 2.28 2.05 2gb8A12 PRO 145 HB3 -1.19 0.01 0.04 -0.04 2.02 0.85 2gb8A12 PRO 145 HG2 0.18 0.00 -0.02 -0.04 2.03 2.15 2gb8A12 PRO 145 HG3 -0.06 0.06 0.02 -0.04 2.03 2.00 2gb8A12 PRO 145 HD2 0.01 0.09 0.09 -0.04 3.68 3.83 2gb8A12 PRO 145 HD3 0.11 0.28 0.22 -0.04 3.65 4.21 2gb8A12 ASP 146 H -0.01 0.12 0.13 -0.55 8.40 8.10 2gb8A12 ASP 146 HA 0.01 0.20 0.80 -0.75 4.63 4.89 2gb8A12 ASP 146 HB2 -0.12 0.12 0.03 -0.04 2.71 2.71 2gb8A12 ASP 146 HB3 -0.36 -0.04 -0.03 -0.04 2.70 2.23 2gb8A12 ALA 147 H 0.08 0.20 0.17 -0.55 8.40 8.30 2gb8A12 ALA 147 HA 0.04 0.12 0.44 -0.75 4.34 4.18 2gb8A12 ALA 147 HB3 -0.04 0.04 0.06 -0.04 1.41 1.43 2gb8A12 ASP 148 H 0.07 0.05 0.03 -0.55 8.40 8.00 2gb8A12 ASP 148 HA 0.10 0.12 0.51 -0.75 4.63 4.61 2gb8A12 ASP 148 HB2 0.14 -0.02 0.17 -0.04 2.71 2.96 2gb8A12 ASP 148 HB3 0.03 0.03 0.19 -0.04 2.70 2.92 2gb8A12 LYS 149 H 0.05 0.29 -0.38 -0.55 8.42 7.83 2gb8A12 LYS 149 HA 0.03 0.19 0.69 -0.75 4.32 4.47 2gb8A12 LYS 149 HB2 0.08 0.08 -0.07 -0.04 1.87 1.92 2gb8A12 LYS 149 HB3 -0.02 -0.12 0.12 -0.04 1.79 1.73 2gb8A12 LYS 149 HG2 -0.18 0.19 -0.74 -0.04 1.46 0.70 2gb8A12 LYS 149 HG3 -0.33 0.02 -0.44 -0.04 1.46 0.66 2gb8A12 LYS 149 HD2 -2.12 0.03 -0.07 -0.04 1.69 -0.52 2gb8A12 LYS 149 HD3 -0.62 -0.05 -0.03 -0.04 1.68 0.93 2gb8A12 LYS 149 HE2 -0.29 -0.04 -0.11 -0.04 2.99 2.52 2gb8A12 LYS 149 HE3 -0.40 0.05 -0.04 -0.04 2.99 2.55 2gb8A12 ASP 150 H 0.17 0.09 0.14 -0.55 8.40 8.25 2gb8A12 ASP 150 HA 0.13 0.31 0.80 -0.75 4.63 5.11 2gb8A12 ASP 150 HB2 0.12 -0.06 0.12 -0.04 2.71 2.85 2gb8A12 ASP 150 HB3 0.12 0.16 -0.09 -0.04 2.70 2.85 2gb8A12 ALA 151 H 0.13 0.26 0.15 -0.55 8.40 8.39 2gb8A12 ALA 151 HA 0.21 0.12 0.28 -0.75 4.34 4.19 2gb8A12 ALA 151 HB3 0.24 0.10 0.10 -0.04 1.41 1.81 2gb8A12 GLY 152 H 0.16 0.08 -0.29 -0.55 8.43 7.83 2gb8A12 GLY 152 HA2 0.14 0.14 0.60 -0.51 4.01 4.37 2gb8A12 GLY 152 HA3 0.13 0.09 0.28 -0.51 4.01 4.01 2gb8A12 TYR 153 H 0.26 0.14 -0.07 -0.55 8.29 8.06 2gb8A12 TYR 153 HA 0.12 0.13 0.56 -0.75 4.56 4.62 2gb8A12 TYR 153 HB2 0.08 0.02 0.10 -0.04 3.06 3.22 2gb8A12 TYR 153 HB3 0.09 -0.03 0.14 -0.04 2.98 3.14 2gb8A12 TYR 153 HD2 0.07 0.00 -0.08 -0.04 7.15 7.10 2gb8A12 TYR 153 HE2 -0.03 0.07 -0.01 -0.04 6.85 6.83 2gb8A12 VAL 154 H 0.22 0.27 -0.31 -0.55 8.24 7.88 2gb8A12 VAL 154 HA 0.07 0.10 0.45 -0.75 4.13 3.99 2gb8A12 VAL 154 HB 0.19 0.07 0.04 -0.04 2.12 2.37 2gb8A12 VAL 154 HG13 0.14 0.02 -0.17 -0.04 0.97 0.92 2gb8A12 VAL 154 HG23 0.18 0.05 -0.11 -0.04 0.95 1.02 2gb8A12 ARG 155 H 0.23 0.47 -0.05 -0.55 8.46 8.56 2gb8A12 ARG 155 HA 0.30 0.05 0.34 -0.75 4.34 4.27 2gb8A12 ARG 155 HB2 0.20 0.13 0.19 -0.04 1.90 2.37 2gb8A12 ARG 155 HB3 0.11 0.05 0.03 -0.04 1.80 1.95 2gb8A12 ARG 155 HG2 0.09 0.02 0.01 -0.04 1.67 1.75 2gb8A12 ARG 155 HG3 0.06 -0.05 0.03 -0.04 1.67 1.66 2gb8A12 ARG 155 HD2 0.02 0.01 -0.01 -0.04 3.22 3.20 2gb8A12 ARG 155 HD3 0.00 0.01 -0.03 -0.04 3.22 3.16 2gb8A12 THR 156 H 0.09 0.31 -0.40 -0.55 8.28 7.73 2gb8A12 THR 156 HA 0.06 0.07 0.78 -0.75 4.39 4.55 2gb8A12 THR 156 HB 0.03 -0.01 -0.02 -0.04 4.32 4.29 2gb8A12 THR 156 HG23 0.06 0.01 -0.00 -0.04 1.22 1.25 2gb8A12 PHE 157 H -0.08 0.54 -0.12 -0.55 8.34 8.13 2gb8A12 PHE 157 HA -0.20 0.06 0.58 -0.75 4.62 4.30 2gb8A12 PHE 157 HB2 -1.05 0.01 0.14 -0.04 3.15 2.20 2gb8A12 PHE 157 HB3 -0.46 -0.01 0.19 -0.04 3.06 2.73 2gb8A12 PHE 157 HD2 -0.56 -0.03 -0.10 -0.04 7.28 6.54 2gb8A12 PHE 157 HE2 -0.02 0.06 -0.12 -0.04 7.38 7.25 2gb8A12 PHE 157 HZ -0.01 0.22 0.21 -0.04 7.32 7.70 2gb8A12 PHE 158 H 0.24 0.54 -0.26 -0.55 8.34 8.32 2gb8A12 PHE 158 HA 0.01 0.09 0.43 -0.75 4.62 4.39 2gb8A12 PHE 158 HB2 0.11 0.09 0.06 -0.04 3.15 3.37 2gb8A12 PHE 158 HB3 0.08 -0.01 -0.06 -0.04 3.06 3.03 2gb8A12 PHE 158 HD2 0.13 0.06 -0.02 -0.04 7.28 7.40 2gb8A12 PHE 158 HE2 -0.04 -0.00 -0.06 -0.04 7.38 7.23 2gb8A12 PHE 158 HZ -0.35 0.00 -0.07 -0.04 7.32 6.87 2gb8A12 GLN 159 H 0.09 0.34 -0.24 -0.55 8.47 8.12 2gb8A12 GLN 159 HA 0.09 0.02 0.67 -0.75 4.36 4.38 2gb8A12 GLN 159 HB2 0.04 0.11 0.12 -0.04 2.15 2.38 2gb8A12 GLN 159 HB3 0.04 -0.04 0.05 -0.04 2.02 2.02 2gb8A12 GLN 159 HG2 0.06 -0.07 0.03 -0.04 2.40 2.37 2gb8A12 GLN 159 HG3 0.09 0.13 0.10 -0.04 2.39 2.67 2gb8A12 GLN 159 HE21 0.04 -0.00 -0.00 -0.04 6.97 6.96 2gb8A12 GLN 159 HE22 0.04 -0.04 -0.02 -0.04 7.69 7.62 2gb8A12 ARG 160 H -0.10 0.42 -0.37 -0.55 8.46 7.85 2gb8A12 ARG 160 HA -0.17 -0.05 0.47 -0.75 4.34 3.84 2gb8A12 ARG 160 HB2 -0.21 0.04 0.19 -0.04 1.90 1.88 2gb8A12 ARG 160 HB3 -0.36 0.17 0.08 -0.04 1.80 1.66 2gb8A12 ARG 160 HG2 -0.22 -0.18 0.20 -0.04 1.67 1.44 2gb8A12 ARG 160 HG3 0.05 -0.08 0.11 -0.04 1.67 1.70 2gb8A12 ARG 160 HD2 -0.07 -0.09 0.05 -0.04 3.22 3.07 2gb8A12 ARG 160 HD3 -0.21 0.03 0.07 -0.04 3.22 3.07 2gb8A12 LEU 161 H 0.01 0.37 -0.35 -0.55 8.37 7.85 2gb8A12 LEU 161 HA 0.40 0.11 0.53 -0.75 4.35 4.64 2gb8A12 LEU 161 HB2 0.35 0.04 0.01 -0.04 1.64 2.00 2gb8A12 LEU 161 HB3 0.40 -0.03 0.00 -0.04 1.64 1.97 2gb8A12 LEU 161 HG -0.02 0.02 -0.16 -0.04 1.64 1.44 2gb8A12 LEU 161 HD13 0.19 -0.00 -0.04 -0.04 0.93 1.04 2gb8A12 LEU 161 HD23 0.42 -0.00 -0.03 -0.04 0.89 1.24 2gb8A12 ASN 162 H 0.11 0.20 -0.35 -0.55 8.53 7.95 2gb8A12 ASN 162 HA 0.09 0.05 0.26 -0.75 4.76 4.41 2gb8A12 ASN 162 HB2 0.36 -0.03 -0.55 -0.04 2.88 2.62 2gb8A12 ASN 162 HB3 0.23 0.09 0.18 -0.04 2.79 3.26 2gb8A12 ASN 162 HD21 0.10 -0.00 0.11 -0.04 7.03 7.20 2gb8A12 ASN 162 HD22 0.07 -0.05 0.03 -0.04 7.74 7.75 2gb8A12 MET 163 H 0.18 0.40 0.06 -0.55 8.47 8.57 2gb8A12 MET 163 HA 0.08 0.12 0.89 -0.75 4.52 4.85 2gb8A12 MET 163 HB2 0.15 0.00 -0.13 -0.04 2.15 2.13 2gb8A12 MET 163 HB3 0.01 -0.11 -0.14 -0.04 2.03 1.75 2gb8A12 MET 163 HG2 0.26 -0.01 -0.66 -0.04 2.63 2.18 2gb8A12 MET 163 HG3 0.29 0.00 -0.19 -0.04 2.56 2.62 2gb8A12 MET 163 HE3 0.02 -0.01 -0.08 -0.04 2.10 1.99 2gb8A12 ASN 164 H 0.04 0.12 0.14 -0.55 8.53 8.28 2gb8A12 ASN 164 HA 0.05 0.26 0.61 -0.75 4.76 4.93 2gb8A12 ASN 164 HB2 0.03 -0.11 0.20 -0.04 2.88 2.94 2gb8A12 ASN 164 HB3 0.03 0.17 0.07 -0.04 2.79 3.02 2gb8A12 ASN 164 HD21 0.03 0.16 0.09 -0.04 7.03 7.28 2gb8A12 ASN 164 HD22 0.03 0.04 0.04 -0.04 7.74 7.81 2gb8A12 ASP 165 H 0.03 0.21 0.16 -0.55 8.40 8.25 2gb8A12 ASP 165 HA 0.20 0.14 0.42 -0.75 4.63 4.64 2gb8A12 ASP 165 HB2 -0.02 0.01 0.14 -0.04 2.71 2.80 2gb8A12 ASP 165 HB3 0.01 0.08 -0.10 -0.04 2.70 2.64 2gb8A12 ARG 166 H 0.05 0.11 -0.07 -0.55 8.46 8.00 2gb8A12 ARG 166 HA 0.13 0.13 0.66 -0.75 4.34 4.50 2gb8A12 ARG 166 HB2 0.04 0.02 0.11 -0.04 1.90 2.03 2gb8A12 ARG 166 HB3 0.07 0.04 0.04 -0.04 1.80 1.91 2gb8A12 ARG 166 HG2 0.24 -0.01 0.02 -0.04 1.67 1.88 2gb8A12 ARG 166 HG3 0.04 0.01 0.07 -0.04 1.67 1.75 2gb8A12 ARG 166 HD2 0.05 0.00 0.01 -0.04 3.22 3.23 2gb8A12 ARG 166 HD3 0.13 0.04 -0.02 -0.04 3.22 3.32 2gb8A12 GLU 167 H 0.04 0.04 -0.22 -0.55 8.60 7.91 2gb8A12 GLU 167 HA 0.03 0.10 0.45 -0.75 4.29 4.11 2gb8A12 GLU 167 HB2 -0.00 -0.07 0.05 -0.04 2.09 2.02 2gb8A12 GLU 167 HB3 -0.04 0.11 -0.06 -0.04 1.99 1.96 2gb8A12 GLU 167 HG2 0.01 0.04 0.02 -0.04 2.34 2.37 2gb8A12 GLU 167 HG3 0.02 -0.08 0.02 -0.04 2.34 2.26 2gb8A12 VAL 168 H -0.03 0.23 -0.51 -0.55 8.24 7.37 2gb8A12 VAL 168 HA -0.47 0.16 0.84 -0.75 4.13 3.90 2gb8A12 VAL 168 HB -0.61 -0.02 -0.05 -0.04 2.12 1.40 2gb8A12 VAL 168 HG13 -0.68 0.04 -0.19 -0.04 0.97 0.10 2gb8A12 VAL 168 HG23 0.12 -0.01 -0.02 -0.04 0.95 1.00 2gb8A12 VAL 169 H 0.04 0.33 -0.15 -0.55 8.24 7.91 2gb8A12 VAL 169 HA 0.01 0.10 0.59 -0.75 4.13 4.08 2gb8A12 VAL 169 HB 0.22 0.04 0.11 -0.04 2.12 2.45 2gb8A12 VAL 169 HG13 0.26 -0.01 -0.19 -0.04 0.97 0.98 2gb8A12 VAL 169 HG23 0.17 0.00 0.10 -0.04 0.95 1.19 2gb8A12 ALA 170 H 0.16 0.44 -0.19 -0.55 8.40 8.26 2gb8A12 ALA 170 HA 0.16 0.06 0.50 -0.75 4.34 4.31 2gb8A12 ALA 170 HB3 0.17 0.02 0.00 -0.04 1.41 1.56 2gb8A12 LEU 171 H 0.02 0.41 -0.25 -0.55 8.37 8.01 2gb8A12 LEU 171 HA 0.38 0.06 0.19 -0.75 4.35 4.22 2gb8A12 LEU 171 HB2 -0.28 0.07 0.10 -0.04 1.64 1.49 2gb8A12 LEU 171 HB3 -0.21 -0.00 -0.06 -0.04 1.64 1.33 2gb8A12 LEU 171 HG -0.08 0.04 0.08 -0.04 1.64 1.64 2gb8A12 LEU 171 HD13 -0.14 0.01 -0.08 -0.04 0.93 0.67 2gb8A12 LEU 171 HD23 -0.07 -0.01 -0.13 -0.04 0.89 0.64 2gb8A12 MET 172 H -0.14 0.22 -0.65 -0.55 8.47 7.36 2gb8A12 MET 172 HA -0.58 0.06 0.33 -0.75 4.52 3.57 2gb8A12 MET 172 HB2 -0.24 0.23 0.13 -0.04 2.15 2.23 2gb8A12 MET 172 HB3 -0.28 0.01 -0.06 -0.04 2.03 1.66 2gb8A12 MET 172 HG2 -0.24 -0.02 -0.04 -0.04 2.63 2.29 2gb8A12 MET 172 HG3 -0.82 -0.06 0.03 -0.04 2.56 1.68 2gb8A12 MET 172 HE3 -0.13 0.02 -0.07 -0.04 2.10 1.88 2gb8A12 GLY 173 H -0.10 0.48 -0.49 -0.55 8.43 7.77 2gb8A12 GLY 173 HA2 -1.12 -0.07 0.32 -0.51 4.01 2.63 2gb8A12 GLY 173 HA3 -0.53 0.09 0.28 -0.51 4.01 3.33 2gb8A12 ALA 174 H -0.29 0.47 -0.68 -0.55 8.40 7.35 2gb8A12 ALA 174 HA -0.02 0.03 0.47 -0.75 4.34 4.08 2gb8A12 ALA 174 HB3 -0.21 0.02 0.03 -0.04 1.41 1.21 2gb8A12 HIS 175 H -0.81 0.76 -0.36 -0.55 8.41 7.45 2gb8A12 HIS 175 HA -1.16 0.16 0.56 -0.75 4.63 3.44 2gb8A12 HIS 175 HB2 -1.82 0.21 0.10 -0.04 3.26 1.72 2gb8A12 HIS 175 HB3 -1.93 -0.09 0.08 -0.04 3.20 1.21 2gb8A12 HIS 175 HD2 -0.63 0.02 -0.31 -0.04 6.97 6.01 2gb8A12 HIS 175 HE1 0.07 -0.07 -0.08 -0.04 7.75 7.62 2gb8A12 ALA 176 H -0.28 0.28 -0.95 -0.55 8.40 6.91 2gb8A12 ALA 176 HA 0.04 0.02 0.55 -0.75 4.34 4.19 2gb8A12 ALA 176 HB3 -0.02 -0.03 0.09 -0.04 1.41 1.41 2gb8A12 LEU 177 H -0.10 0.34 -0.26 -0.55 8.37 7.81 2gb8A12 LEU 177 HA 0.08 0.15 0.51 -0.75 4.35 4.34 2gb8A12 LEU 177 HB2 -0.09 0.11 0.09 -0.04 1.64 1.71 2gb8A12 LEU 177 HB3 -0.01 -0.05 -0.08 -0.04 1.64 1.46 2gb8A12 LEU 177 HG 0.18 -0.13 -0.23 -0.04 1.64 1.42 2gb8A12 LEU 177 HD13 -0.24 -0.01 -0.11 -0.04 0.93 0.53 2gb8A12 LEU 177 HD23 0.08 0.01 -0.48 -0.04 0.89 0.46 2gb8A12 GLY 178 H 0.10 0.73 0.37 -0.55 8.43 9.08 2gb8A12 GLY 178 HA2 0.11 0.02 0.37 -0.51 4.01 4.01 2gb8A12 GLY 178 HA3 0.16 0.02 0.67 -0.51 4.01 4.35 2gb8A12 LYS 179 H 0.09 0.22 0.21 -0.55 8.42 8.38 2gb8A12 LYS 179 HA -0.39 0.02 0.64 -0.75 4.32 3.84 2gb8A12 LYS 179 HB2 -0.30 0.03 -0.54 -0.04 1.87 1.03 2gb8A12 LYS 179 HB3 -0.08 0.10 -0.22 -0.04 1.79 1.55 2gb8A12 LYS 179 HG2 -0.01 -0.01 -0.27 -0.04 1.46 1.13 2gb8A12 LYS 179 HG3 -0.50 -0.06 -0.39 -0.04 1.46 0.46 2gb8A12 LYS 179 HD2 0.03 -0.09 -0.18 -0.04 1.69 1.41 2gb8A12 LYS 179 HD3 -0.16 0.02 -0.17 -0.04 1.68 1.33 2gb8A12 LYS 179 HE2 -0.02 0.04 -0.11 -0.04 2.99 2.86 2gb8A12 LYS 179 HE3 0.03 0.04 -0.12 -0.04 2.99 2.90 2gb8A12 THR 180 H -0.61 1.55 0.41 -0.55 8.28 9.08 2gb8A12 THR 180 HA -0.28 0.21 0.87 -0.75 4.39 4.43 2gb8A12 THR 180 HB -0.03 -0.00 -0.31 -0.04 4.32 3.94 2gb8A12 THR 180 HG23 -0.31 0.03 -0.20 -0.04 1.22 0.71 2gb8A12 HIS 181 H -0.10 0.22 0.13 -0.55 8.41 8.12 2gb8A12 HIS 181 HA -0.03 0.15 0.75 -0.75 4.63 4.75 2gb8A12 HIS 181 HB2 0.02 -0.02 0.20 -0.04 3.26 3.43 2gb8A12 HIS 181 HB3 -0.01 -0.03 0.03 -0.04 3.20 3.15 2gb8A12 HIS 181 HD2 -0.05 0.01 -0.11 -0.04 6.97 6.78 2gb8A12 HIS 181 HE1 0.03 0.03 -0.02 -0.04 7.75 7.74 2gb8A12 LEU 182 H 0.03 0.18 0.14 -0.55 8.37 8.17 2gb8A12 LEU 182 HA -0.01 -0.03 0.25 -0.75 4.35 3.81 2gb8A12 LEU 182 HB2 -0.01 0.04 -0.01 -0.04 1.64 1.62 2gb8A12 LEU 182 HB3 -0.01 0.05 -0.03 -0.04 1.64 1.62 2gb8A12 LEU 182 HG -0.06 -0.03 -0.03 -0.04 1.64 1.48 2gb8A12 LEU 182 HD13 -0.06 -0.04 -0.35 -0.04 0.93 0.44 2gb8A12 LEU 182 HD23 -0.04 -0.00 -0.12 -0.04 0.89 0.69 2gb8A12 LYS 183 H 0.05 0.08 -0.24 -0.55 8.42 7.76 2gb8A12 LYS 183 HA 0.01 0.12 0.40 -0.75 4.32 4.10 2gb8A12 LYS 183 HB2 0.01 0.06 0.03 -0.04 1.87 1.93 2gb8A12 LYS 183 HB3 0.01 -0.01 0.05 -0.04 1.79 1.80 2gb8A12 LYS 183 HG2 0.04 -0.12 -0.04 -0.04 1.46 1.29 2gb8A12 LYS 183 HG3 0.03 0.09 -0.29 -0.04 1.46 1.25 2gb8A12 LYS 183 HD2 0.00 0.03 -0.04 -0.04 1.69 1.65 2gb8A12 LYS 183 HD3 -0.01 -0.01 -0.02 -0.04 1.68 1.60 2gb8A12 LYS 183 HE2 -0.01 0.01 -0.08 -0.04 2.99 2.87 2gb8A12 LYS 183 HE3 -0.02 0.01 -0.02 -0.04 2.99 2.91 2gb8A12 ASN 184 H 0.09 0.24 -0.30 -0.55 8.53 8.02 2gb8A12 ASN 184 HA 0.06 0.09 0.64 -0.75 4.76 4.79 2gb8A12 ASN 184 HB2 0.18 0.04 0.18 -0.04 2.88 3.24 2gb8A12 ASN 184 HB3 0.13 0.12 -0.09 -0.04 2.79 2.91 2gb8A12 ASN 184 HD21 0.07 -0.03 0.02 -0.04 7.03 7.04 2gb8A12 ASN 184 HD22 -0.02 -0.04 0.01 -0.04 7.74 7.64 2gb8A12 SER 185 H 0.07 0.21 0.05 -0.55 8.46 8.25 2gb8A12 SER 185 HA 0.07 0.27 0.92 -0.75 4.49 5.00 2gb8A12 SER 185 HB2 0.23 -0.02 0.14 -0.04 3.95 4.26 2gb8A12 SER 185 HB3 0.15 0.12 -0.27 -0.04 3.93 3.89 2gb8A12 GLY 186 H -0.03 0.47 0.16 -0.55 8.43 8.49 2gb8A12 GLY 186 HA2 -0.16 0.00 0.38 -0.51 4.01 3.72 2gb8A12 GLY 186 HA3 -0.32 0.17 0.63 -0.51 4.01 3.98 2gb8A12 TYR 187 H 0.02 0.11 -0.53 -0.55 8.29 7.34 2gb8A12 TYR 187 HA -0.04 0.18 0.78 -0.75 4.56 4.73 2gb8A12 TYR 187 HB2 -0.04 -0.01 -0.18 -0.04 3.06 2.78 2gb8A12 TYR 187 HB3 -0.08 0.03 -0.12 -0.04 2.98 2.77 2gb8A12 TYR 187 HD2 0.01 0.03 -0.13 -0.04 7.15 7.02 2gb8A12 TYR 187 HE2 0.03 0.13 0.01 -0.04 6.85 6.98 2gb8A12 GLU 188 H 0.04 0.24 0.01 -0.55 8.60 8.34 2gb8A12 GLU 188 HA -0.08 0.23 0.76 -0.75 4.29 4.45 2gb8A12 GLU 188 HB2 -0.03 -0.12 -0.33 -0.04 2.09 1.57 2gb8A12 GLU 188 HB3 -0.03 0.01 0.00 -0.04 1.99 1.94 2gb8A12 GLU 188 HG2 -0.03 -0.02 -0.06 -0.04 2.34 2.19 2gb8A12 GLU 188 HG3 -0.05 0.15 -0.39 -0.04 2.34 2.01 2gb8A12 GLY 189 H -0.21 0.73 0.32 -0.55 8.43 8.72 2gb8A12 GLY 189 HA2 -0.11 0.05 0.39 -0.51 4.01 3.83 2gb8A12 GLY 189 HA3 -0.13 0.24 0.86 -0.51 4.01 4.47 2gb8A12 PRO 190 HA -0.26 0.12 0.88 -0.51 4.44 4.66 2gb8A12 PRO 190 HB2 0.13 0.17 0.04 -0.04 2.28 2.57 2gb8A12 PRO 190 HB3 0.02 0.05 0.11 -0.04 2.02 2.17 2gb8A12 PRO 190 HG2 0.16 0.09 0.03 -0.04 2.03 2.27 2gb8A12 PRO 190 HG3 0.04 0.02 0.08 -0.04 2.03 2.13 2gb8A12 PRO 190 HD2 0.00 0.25 0.35 -0.04 3.68 4.24 2gb8A12 PRO 190 HD3 -0.05 0.06 0.27 -0.04 3.65 3.88 2gb8A12 TRP 191 H 0.31 0.33 0.13 -0.55 7.97 8.20 2gb8A12 TRP 191 HA 0.13 0.22 0.52 -0.75 4.62 4.74 2gb8A12 TRP 191 HB2 0.05 0.21 0.03 -0.04 3.23 3.48 2gb8A12 TRP 191 HB3 0.14 -0.12 0.00 -0.04 3.23 3.21 2gb8A12 TRP 191 HD1 0.11 -0.02 0.07 -0.04 7.22 7.34 2gb8A12 TRP 191 HE1 0.12 -0.27 -0.04 -0.04 10.20 9.97 2gb8A12 TRP 191 HE3 -0.09 0.16 -0.33 -0.04 7.59 7.29 2gb8A12 TRP 191 HZ2 -0.33 -0.09 -0.13 -0.04 7.44 6.85 2gb8A12 TRP 191 HZ3 -0.21 0.05 -0.35 -0.04 7.13 6.58 2gb8A12 TRP 191 HH2 -0.35 0.00 -0.21 -0.04 7.19 6.59 2gb8A12 GLY 192 H 0.21 0.17 -0.13 -0.55 8.43 8.13 2gb8A12 GLY 192 HA2 -0.70 0.13 0.36 -0.51 4.01 3.29 2gb8A12 GLY 192 HA3 -0.09 -0.05 0.30 -0.51 4.01 3.66 2gb8A12 ALA 193 H -0.10 0.08 0.11 -0.55 8.40 7.94 2gb8A12 ALA 193 HA 0.15 0.19 0.67 -0.75 4.34 4.60 2gb8A12 ALA 193 HB3 0.12 0.02 0.09 -0.04 1.41 1.60 2gb8A12 ALA 194 H 0.04 0.05 0.04 -0.55 8.40 7.98 2gb8A12 ALA 194 HA 0.06 0.18 0.63 -0.75 4.34 4.46 2gb8A12 ALA 194 HB3 0.05 0.01 0.19 -0.04 1.41 1.62 2gb8A12 ASN 195 H 0.08 0.43 -0.10 -0.55 8.53 8.40 2gb8A12 ASN 195 HA 0.11 0.25 0.40 -0.75 4.76 4.77 2gb8A12 ASN 195 HB2 0.08 0.05 0.02 -0.04 2.88 2.98 2gb8A12 ASN 195 HB3 0.10 -0.18 0.21 -0.04 2.79 2.88 2gb8A12 ASN 195 HD21 0.08 -0.02 0.05 -0.04 7.03 7.10 2gb8A12 ASN 195 HD22 0.10 0.13 0.09 -0.04 7.74 8.02 2gb8A12 ASN 196 H 0.07 0.03 -0.61 -0.55 8.53 7.47 2gb8A12 ASN 196 HA 0.05 0.10 0.61 -0.75 4.76 4.77 2gb8A12 ASN 196 HB2 0.04 -0.02 0.25 -0.04 2.88 3.11 2gb8A12 ASN 196 HB3 0.05 0.12 0.14 -0.04 2.79 3.05 2gb8A12 ASN 196 HD21 0.06 -0.00 -0.13 -0.04 7.03 6.92 2gb8A12 ASN 196 HD22 0.06 -0.04 -0.04 -0.04 7.74 7.68 2gb8A12 VAL 197 H 0.09 0.45 0.10 -0.55 8.24 8.33 2gb8A12 VAL 197 HA 0.12 0.26 0.91 -0.75 4.13 4.67 2gb8A12 VAL 197 HB 0.09 0.10 0.09 -0.04 2.12 2.35 2gb8A12 VAL 197 HG13 0.07 -0.01 -0.05 -0.04 0.97 0.94 2gb8A12 VAL 197 HG23 0.09 -0.01 -0.16 -0.04 0.95 0.83 2gb8A12 PHE 198 H 0.26 0.60 0.12 -0.55 8.34 8.77 2gb8A12 PHE 198 HA 0.05 -0.04 0.52 -0.75 4.62 4.40 2gb8A12 PHE 198 HB2 -0.03 0.02 -0.01 -0.04 3.15 3.10 2gb8A12 PHE 198 HB3 0.09 0.06 -0.05 -0.04 3.06 3.13 2gb8A12 PHE 198 HD2 -0.34 -0.04 -0.01 -0.04 7.28 6.84 2gb8A12 PHE 198 HE2 -0.68 -0.03 -0.06 -0.04 7.38 6.58 2gb8A12 PHE 198 HZ -1.10 -0.05 -0.20 -0.04 7.32 5.93 2gb8A12 THR 199 H -0.06 0.16 0.23 -0.55 8.28 8.06 2gb8A12 THR 199 HA -0.07 0.27 0.80 -0.75 4.39 4.63 2gb8A12 THR 199 HB -0.05 -0.15 0.19 -0.04 4.32 4.27 2gb8A12 THR 199 HG23 0.01 0.05 -0.25 -0.04 1.22 0.99 2gb8A12 ASN 200 H -0.05 0.22 0.11 -0.55 8.53 8.27 2gb8A12 ASN 200 HA -0.23 0.21 0.77 -0.75 4.76 4.76 2gb8A12 ASN 200 HB2 0.13 0.03 0.12 -0.04 2.88 3.12 2gb8A12 ASN 200 HB3 0.09 0.03 0.02 -0.04 2.79 2.88 2gb8A12 ASN 200 HD21 0.06 -0.10 0.11 -0.04 7.03 7.05 2gb8A12 ASN 200 HD22 0.01 0.11 -0.01 -0.04 7.74 7.81 2gb8A12 GLU 201 H -0.07 0.15 -0.33 -0.55 8.60 7.81 2gb8A12 GLU 201 HA -0.03 0.09 0.40 -0.75 4.29 4.00 2gb8A12 GLU 201 HB2 -0.03 0.05 0.09 -0.04 2.09 2.16 2gb8A12 GLU 201 HB3 -0.03 0.10 -0.09 -0.04 1.99 1.94 2gb8A12 GLU 201 HG2 -0.05 0.02 0.07 -0.04 2.34 2.34 2gb8A12 GLU 201 HG3 -0.02 0.04 0.06 -0.04 2.34 2.38 2gb8A12 PHE 202 H -0.07 0.15 -0.24 -0.55 8.34 7.64 2gb8A12 PHE 202 HA -0.19 0.14 0.26 -0.75 4.62 4.08 2gb8A12 PHE 202 HB2 -0.45 0.11 -0.10 -0.04 3.15 2.67 2gb8A12 PHE 202 HB3 -1.01 -0.07 0.02 -0.04 3.06 1.96 2gb8A12 PHE 202 HD2 -1.08 0.05 -0.19 -0.04 7.28 6.02 2gb8A12 PHE 202 HE2 -0.27 -0.03 -0.12 -0.04 7.38 6.93 2gb8A12 PHE 202 HZ -0.25 -0.07 -0.07 -0.04 7.32 6.90 2gb8A12 TYR 203 H -0.50 0.15 -0.28 -0.55 8.29 7.11 2gb8A12 TYR 203 HA -0.29 0.00 0.39 -0.75 4.56 3.91 2gb8A12 TYR 203 HB2 -0.09 0.12 -0.02 -0.04 3.06 3.03 2gb8A12 TYR 203 HB3 -0.07 0.15 0.04 -0.04 2.98 3.06 2gb8A12 TYR 203 HD2 -0.17 0.04 -0.02 -0.04 7.15 6.95 2gb8A12 TYR 203 HE2 -0.86 0.05 -0.02 -0.04 6.85 5.98 2gb8A12 LEU 204 H 0.02 0.40 -0.02 -0.55 8.37 8.21 2gb8A12 LEU 204 HA 0.02 0.08 0.60 -0.75 4.35 4.30 2gb8A12 LEU 204 HB2 -0.00 -0.01 0.14 -0.04 1.64 1.73 2gb8A12 LEU 204 HB3 0.01 -0.04 0.03 -0.04 1.64 1.60 2gb8A12 LEU 204 HG 0.03 -0.00 0.11 -0.04 1.64 1.73 2gb8A12 LEU 204 HD13 0.00 -0.01 0.02 -0.04 0.93 0.90 2gb8A12 LEU 204 HD23 0.01 0.02 0.05 -0.04 0.89 0.92 2gb8A12 ASN 205 H -0.04 0.65 -0.24 -0.55 8.53 8.35 2gb8A12 ASN 205 HA 0.08 -0.03 0.49 -0.75 4.76 4.54 2gb8A12 ASN 205 HB2 -0.00 0.17 0.12 -0.04 2.88 3.13 2gb8A12 ASN 205 HB3 0.31 -0.01 -0.06 -0.04 2.79 2.98 2gb8A12 ASN 205 HD21 -0.65 0.11 0.04 -0.04 7.03 6.49 2gb8A12 ASN 205 HD22 -0.83 -0.17 0.04 -0.04 7.74 6.73 2gb8A12 LEU 206 H -0.07 0.44 -0.10 -0.55 8.37 8.09 2gb8A12 LEU 206 HA 0.11 -0.03 0.35 -0.75 4.35 4.02 2gb8A12 LEU 206 HB2 -0.53 0.09 0.08 -0.04 1.64 1.24 2gb8A12 LEU 206 HB3 -0.17 0.04 0.13 -0.04 1.64 1.60 2gb8A12 LEU 206 HG -0.20 0.02 -0.16 -0.04 1.64 1.26 2gb8A12 LEU 206 HD13 -0.38 -0.02 -0.04 -0.04 0.93 0.44 2gb8A12 LEU 206 HD23 -0.32 -0.02 -0.09 -0.04 0.89 0.42 2gb8A12 LEU 207 H 0.03 0.39 -0.23 -0.55 8.37 8.01 2gb8A12 LEU 207 HA 0.09 0.16 0.69 -0.75 4.35 4.54 2gb8A12 LEU 207 HB2 0.01 -0.03 0.09 -0.04 1.64 1.67 2gb8A12 LEU 207 HB3 -0.01 -0.08 -0.01 -0.04 1.64 1.50 2gb8A12 LEU 207 HG 0.02 0.16 0.15 -0.04 1.64 1.94 2gb8A12 LEU 207 HD13 0.01 -0.02 -0.10 -0.04 0.93 0.77 2gb8A12 LEU 207 HD23 -0.00 -0.05 -0.06 -0.04 0.89 0.74 2gb8A12 ASN 208 H 0.09 0.46 -0.12 -0.55 8.53 8.40 2gb8A12 ASN 208 HA 0.02 0.17 0.87 -0.75 4.76 5.06 2gb8A12 ASN 208 HB2 0.02 0.04 0.10 -0.04 2.88 3.00 2gb8A12 ASN 208 HB3 0.00 -0.10 0.07 -0.04 2.79 2.72 2gb8A12 ASN 208 HD21 0.00 0.01 -0.00 -0.04 7.03 7.00 2gb8A12 ASN 208 HD22 0.00 -0.04 -0.04 -0.04 7.74 7.62 2gb8A12 GLU 209 H 0.07 0.43 0.02 -0.55 8.60 8.57 2gb8A12 GLU 209 HA -0.21 0.02 0.56 -0.75 4.29 3.90 2gb8A12 GLU 209 HB2 -0.71 0.22 -0.04 -0.04 2.09 1.52 2gb8A12 GLU 209 HB3 -1.11 -0.20 0.03 -0.04 1.99 0.66 2gb8A12 GLU 209 HG2 0.01 0.03 0.11 -0.04 2.34 2.45 2gb8A12 GLU 209 HG3 -0.01 -0.02 -0.02 -0.04 2.34 2.25 2gb8A12 ASP 210 H -0.51 0.05 0.10 -0.55 8.40 7.49 2gb8A12 ASP 210 HA -0.08 0.17 0.65 -0.75 4.63 4.62 2gb8A12 ASP 210 HB2 -0.10 0.08 0.06 -0.04 2.71 2.71 2gb8A12 ASP 210 HB3 -0.19 -0.18 0.28 -0.04 2.70 2.58 2gb8A12 TRP 211 H 0.17 0.23 0.03 -0.55 7.97 7.86 2gb8A12 TRP 211 HA 0.15 0.26 0.74 -0.75 4.62 5.01 2gb8A12 TRP 211 HB2 -0.26 -0.00 -0.03 -0.04 3.23 2.89 2gb8A12 TRP 211 HB3 0.13 -0.06 -0.17 -0.04 3.23 3.09 2gb8A12 TRP 211 HD1 0.17 0.07 -0.12 -0.04 7.22 7.31 2gb8A12 TRP 211 HE1 0.05 0.40 -0.00 -0.04 10.20 10.61 2gb8A12 TRP 211 HE3 0.15 -0.02 -0.91 -0.04 7.59 6.77 2gb8A12 TRP 211 HZ2 0.06 0.02 -0.42 -0.04 7.44 7.06 2gb8A12 TRP 211 HZ3 0.14 0.06 -0.78 -0.04 7.13 6.51 2gb8A12 TRP 211 HH2 0.23 0.08 -0.24 -0.04 7.19 7.21 2gb8A12 LYS 212 H 0.46 0.60 0.33 -0.55 8.42 9.26 2gb8A12 LYS 212 HA 0.28 0.12 0.88 -0.75 4.32 4.85 2gb8A12 LYS 212 HB2 0.10 -0.02 -0.06 -0.04 1.87 1.85 2gb8A12 LYS 212 HB3 0.07 0.04 0.09 -0.04 1.79 1.95 2gb8A12 LYS 212 HG2 -0.06 0.35 -0.04 -0.04 1.46 1.67 2gb8A12 LYS 212 HG3 0.02 -0.06 0.08 -0.04 1.46 1.47 2gb8A12 LYS 212 HD2 0.00 -0.04 -0.01 -0.04 1.69 1.60 2gb8A12 LYS 212 HD3 -0.01 -0.02 -0.05 -0.04 1.68 1.56 2gb8A12 LYS 212 HE2 -0.05 0.07 0.04 -0.04 2.99 3.01 2gb8A12 LYS 212 HE3 -0.03 -0.03 0.03 -0.04 2.99 2.93 2gb8A12 LEU 213 H -0.43 0.10 0.20 -0.55 8.37 7.69 2gb8A12 LEU 213 HA -0.87 0.24 0.81 -0.75 4.35 3.78 2gb8A12 LEU 213 HB2 -2.55 -0.03 0.02 -0.04 1.64 -0.97 2gb8A12 LEU 213 HB3 -0.73 -0.01 0.08 -0.04 1.64 0.93 2gb8A12 LEU 213 HG -0.51 0.07 0.06 -0.04 1.64 1.21 2gb8A12 LEU 213 HD13 -1.16 -0.02 -0.32 -0.04 0.93 -0.61 2gb8A12 LEU 213 HD23 -0.32 -0.01 -0.06 -0.04 0.89 0.45 2gb8A12 GLU 214 H -0.33 0.71 0.54 -0.55 8.60 8.97 2gb8A12 GLU 214 HA -0.14 0.09 0.61 -0.75 4.29 4.10 2gb8A12 GLU 214 HB2 -0.08 0.05 -0.17 -0.04 2.09 1.85 2gb8A12 GLU 214 HB3 -0.06 0.06 -0.05 -0.04 1.99 1.89 2gb8A12 GLU 214 HG2 -0.06 -0.03 0.07 -0.04 2.34 2.28 2gb8A12 GLU 214 HG3 -0.09 0.24 0.21 -0.04 2.34 2.66 2gb8A12 LYS 215 H -0.08 0.18 0.21 -0.55 8.42 8.18 2gb8A12 LYS 215 HA -0.06 0.30 0.84 -0.75 4.32 4.64 2gb8A12 LYS 215 HB2 -0.05 -0.03 0.09 -0.04 1.87 1.84 2gb8A12 LYS 215 HB3 -0.05 0.10 -0.08 -0.04 1.79 1.72 2gb8A12 LYS 215 HG2 -0.08 -0.12 -0.26 -0.04 1.46 0.96 2gb8A12 LYS 215 HG3 -0.06 -0.01 -0.02 -0.04 1.46 1.33 2gb8A12 LYS 215 HD2 -0.05 0.15 -0.23 -0.04 1.69 1.52 2gb8A12 LYS 215 HD3 -0.05 -0.05 -0.12 -0.04 1.68 1.41 2gb8A12 LYS 215 HE2 -0.04 -0.01 -0.02 -0.04 2.99 2.88 2gb8A12 LYS 215 HE3 -0.04 -0.05 -0.03 -0.04 2.99 2.83 2gb8A12 ASN 216 H -0.05 0.70 0.31 -0.55 8.53 8.94 2gb8A12 ASN 216 HA -0.04 0.25 0.65 -0.75 4.76 4.87 2gb8A12 ASN 216 HB2 -0.05 -0.21 0.20 -0.04 2.88 2.79 2gb8A12 ASN 216 HB3 -0.02 0.10 0.07 -0.04 2.79 2.90 2gb8A12 ASN 216 HD21 0.03 -0.04 -0.10 -0.04 7.03 6.88 2gb8A12 ASN 216 HD22 -0.16 -0.03 -0.13 -0.04 7.74 7.38 2gb8A12 ASP 217 H -0.05 0.16 0.18 -0.55 8.40 8.14 2gb8A12 ASP 217 HA -0.04 0.21 0.50 -0.75 4.63 4.55 2gb8A12 ASP 217 HB2 -0.04 -0.04 0.00 -0.04 2.71 2.60 2gb8A12 ASP 217 HB3 -0.03 0.06 0.01 -0.04 2.70 2.70 2gb8A12 ALA 218 H -0.07 0.01 -0.00 -0.55 8.40 7.79 2gb8A12 ALA 218 HA -0.06 0.22 0.70 -0.75 4.34 4.45 2gb8A12 ALA 218 HB3 -0.12 0.07 0.14 -0.04 1.41 1.46 2gb8A12 ASN 219 H -0.07 -0.05 -0.56 -0.55 8.53 7.30 2gb8A12 ASN 219 HA -0.06 0.17 0.15 -0.75 4.76 4.28 2gb8A12 ASN 219 HB2 -0.05 0.04 -0.43 -0.04 2.88 2.40 2gb8A12 ASN 219 HB3 -0.05 0.03 0.18 -0.04 2.79 2.91 2gb8A12 ASN 219 HD21 -0.04 -0.01 0.10 -0.04 7.03 7.04 2gb8A12 ASN 219 HD22 -0.03 -0.02 0.03 -0.04 7.74 7.67 2gb8A12 ASN 220 H -0.12 -0.09 -0.12 -0.55 8.53 7.65 2gb8A12 ASN 220 HA -0.07 0.21 0.74 -0.75 4.76 4.89 2gb8A12 ASN 220 HB2 -0.37 0.08 0.04 -0.04 2.88 2.59 2gb8A12 ASN 220 HB3 -0.16 0.07 0.07 -0.04 2.79 2.72 2gb8A12 ASN 220 HD21 -0.18 -0.08 -0.28 -0.04 7.03 6.45 2gb8A12 ASN 220 HD22 -0.14 0.04 -0.08 -0.04 7.74 7.53 2gb8A12 GLU 221 H 0.01 0.14 0.23 -0.55 8.60 8.44 2gb8A12 GLU 221 HA -0.06 0.29 1.30 -0.75 4.29 5.07 2gb8A12 GLU 221 HB2 -0.05 -0.06 0.10 -0.04 2.09 2.05 2gb8A12 GLU 221 HB3 -0.18 0.01 0.00 -0.04 1.99 1.78 2gb8A12 GLU 221 HG2 -0.08 0.02 -0.29 -0.04 2.34 1.95 2gb8A12 GLU 221 HG3 -0.06 0.00 -0.08 -0.04 2.34 2.16 2gb8A12 GLN 222 H -0.12 1.18 0.58 -0.55 8.47 9.56 2gb8A12 GLN 222 HA -0.00 0.06 0.63 -0.75 4.36 4.30 2gb8A12 GLN 222 HB2 0.07 0.10 0.10 -0.04 2.15 2.38 2gb8A12 GLN 222 HB3 0.22 -0.01 -0.10 -0.04 2.02 2.09 2gb8A12 GLN 222 HG2 0.05 -0.07 -0.18 -0.04 2.40 2.16 2gb8A12 GLN 222 HG3 0.00 0.06 -0.20 -0.04 2.39 2.21 2gb8A12 GLN 222 HE21 0.07 -0.12 -0.01 -0.04 6.97 6.87 2gb8A12 GLN 222 HE22 0.01 0.33 0.05 -0.04 7.69 8.03 2gb8A12 TRP 223 H 0.15 0.35 0.25 -0.55 7.97 8.17 2gb8A12 TRP 223 HA -0.01 0.29 0.66 -0.75 4.62 4.81 2gb8A12 TRP 223 HB2 -0.35 -0.00 0.15 -0.04 3.23 2.98 2gb8A12 TRP 223 HB3 -0.20 0.03 -0.14 -0.04 3.23 2.88 2gb8A12 TRP 223 HD1 -0.18 -0.00 -0.17 -0.04 7.22 6.82 2gb8A12 TRP 223 HE1 -0.04 -0.02 -0.10 -0.04 10.20 10.01 2gb8A12 TRP 223 HE3 -0.06 -0.05 -0.67 -0.04 7.59 6.77 2gb8A12 TRP 223 HZ2 0.06 -0.02 -0.07 -0.04 7.44 7.37 2gb8A12 TRP 223 HZ3 0.02 0.21 -0.15 -0.04 7.13 7.17 2gb8A12 TRP 223 HH2 0.07 0.01 -0.04 -0.04 7.19 7.19 2gb8A12 ASP 224 H 0.29 0.88 0.38 -0.55 8.40 9.40 2gb8A12 ASP 224 HA 0.39 0.26 1.02 -0.75 4.63 5.54 2gb8A12 ASP 224 HB2 0.08 -0.03 0.03 -0.04 2.71 2.75 2gb8A12 ASP 224 HB3 0.07 0.11 -0.01 -0.04 2.70 2.82 2gb8A12 SER 225 H 0.17 0.83 0.25 -0.55 8.46 9.16 2gb8A12 SER 225 HA -0.35 0.45 0.96 -0.75 4.49 4.80 2gb8A12 SER 225 HB2 -0.69 -0.11 0.10 -0.04 3.95 3.20 2gb8A12 SER 225 HB3 -2.37 0.08 -0.11 -0.04 3.93 1.49 2gb8A12 LYS 226 H -0.24 0.27 0.22 -0.55 8.42 8.12 2gb8A12 LYS 226 HA -0.11 0.12 0.40 -0.75 4.32 3.97 2gb8A12 LYS 226 HB2 -0.10 0.03 0.06 -0.04 1.87 1.82 2gb8A12 LYS 226 HB3 -0.10 0.05 0.14 -0.04 1.79 1.85 2gb8A12 LYS 226 HG2 -0.12 0.06 0.09 -0.04 1.46 1.45 2gb8A12 LYS 226 HG3 -0.20 -0.24 0.18 -0.04 1.46 1.17 2gb8A12 LYS 226 HD2 -0.12 -0.00 -0.05 -0.04 1.69 1.48 2gb8A12 LYS 226 HD3 -0.12 0.04 -0.37 -0.04 1.68 1.19 2gb8A12 LYS 226 HE2 -0.07 -0.00 -0.01 -0.04 2.99 2.87 2gb8A12 LYS 226 HE3 -0.07 0.02 0.00 -0.04 2.99 2.90 2gb8A12 SER 227 H -0.28 0.03 -0.23 -0.55 8.46 7.43 2gb8A12 SER 227 HA -0.24 0.12 0.43 -0.75 4.49 4.03 2gb8A12 SER 227 HB2 -0.50 -0.04 -0.02 -0.04 3.95 3.34 2gb8A12 SER 227 HB3 -0.52 0.05 0.09 -0.04 3.93 3.51 2gb8A12 GLY 228 H -0.28 0.31 -0.63 -0.55 8.43 7.28 2gb8A12 GLY 228 HA2 -0.16 0.02 0.27 -0.51 4.01 3.64 2gb8A12 GLY 228 HA3 -0.26 0.12 0.62 -0.51 4.01 3.97 2gb8A12 TYR 229 H -0.61 -0.10 -0.25 -0.55 8.29 6.78 2gb8A12 TYR 229 HA 0.07 0.37 0.92 -0.75 4.56 5.16 2gb8A12 TYR 229 HB2 0.54 -0.09 -0.10 -0.04 3.06 3.38 2gb8A12 TYR 229 HB3 0.27 0.16 0.01 -0.04 2.98 3.38 2gb8A12 TYR 229 HD2 0.00 0.06 -0.26 -0.04 7.15 6.91 2gb8A12 TYR 229 HE2 -0.00 -0.01 -0.18 -0.04 6.85 6.62 2gb8A12 MET 230 H 0.21 0.51 0.20 -0.55 8.47 8.84 2gb8A12 MET 230 HA 0.35 0.34 0.86 -0.75 4.52 5.31 2gb8A12 MET 230 HB2 -0.01 -0.06 -0.05 -0.04 2.15 1.99 2gb8A12 MET 230 HB3 0.01 0.07 -0.12 -0.04 2.03 1.94 2gb8A12 MET 230 HG2 -0.29 -0.03 -0.48 -0.04 2.63 1.79 2gb8A12 MET 230 HG3 -0.35 0.09 -0.37 -0.04 2.56 1.89 2gb8A12 MET 230 HE3 -0.15 -0.02 -0.30 -0.04 2.10 1.59 2gb8A12 MET 231 H -0.00 0.54 0.26 -0.55 8.47 8.72 2gb8A12 MET 231 HA 0.05 0.12 0.60 -0.75 4.52 4.53 2gb8A12 MET 231 HB2 -0.62 -0.07 -0.00 -0.04 2.15 1.42 2gb8A12 MET 231 HB3 -0.28 -0.06 0.01 -0.04 2.03 1.66 2gb8A12 MET 231 HG2 -1.98 -0.04 -0.68 -0.04 2.63 -0.12 2gb8A12 MET 231 HG3 -1.88 0.01 -0.19 -0.04 2.56 0.46 2gb8A12 MET 231 HE3 -0.47 -0.01 -0.07 -0.04 2.10 1.50 2gb8A12 LEU 232 H 0.30 0.17 0.06 -0.55 8.37 8.36 2gb8A12 LEU 232 HA -0.08 0.20 0.83 -0.75 4.35 4.54 2gb8A12 LEU 232 HB2 0.16 -0.09 0.03 -0.04 1.64 1.69 2gb8A12 LEU 232 HB3 -0.14 0.07 0.05 -0.04 1.64 1.58 2gb8A12 LEU 232 HG 0.07 -0.02 -0.10 -0.04 1.64 1.55 2gb8A12 LEU 232 HD13 0.39 0.02 -0.07 -0.04 0.93 1.23 2gb8A12 LEU 232 HD23 -0.75 0.01 -0.06 -0.04 0.89 0.05 2gb8A12 PRO 233 HA 0.30 0.02 0.34 -0.51 4.44 4.59 2gb8A12 PRO 233 HB2 0.12 0.18 0.25 -0.04 2.28 2.79 2gb8A12 PRO 233 HB3 0.19 0.01 0.13 -0.04 2.02 2.30 2gb8A12 PRO 233 HG2 0.03 0.35 0.03 -0.04 2.03 2.40 2gb8A12 PRO 233 HG3 0.12 0.08 0.13 -0.04 2.03 2.31 2gb8A12 PRO 233 HD2 -0.21 0.05 0.23 -0.04 3.68 3.71 2gb8A12 PRO 233 HD3 0.07 0.21 0.29 -0.04 3.65 4.18 2gb8A12 THR 234 H 0.07 0.59 0.06 -0.55 8.28 8.45 2gb8A12 THR 234 HA 0.09 -0.05 0.30 -0.75 4.39 3.98 2gb8A12 THR 234 HB 0.07 0.01 -0.04 -0.04 4.32 4.32 2gb8A12 THR 234 HG23 0.14 0.02 -0.08 -0.04 1.22 1.26 2gb8A12 ASP 235 H 0.10 0.47 -0.40 -0.55 8.40 8.02 2gb8A12 ASP 235 HA 0.07 0.11 0.48 -0.75 4.63 4.54 2gb8A12 ASP 235 HB2 0.13 -0.00 0.13 -0.04 2.71 2.94 2gb8A12 ASP 235 HB3 0.13 0.04 -0.05 -0.04 2.70 2.78 2gb8A12 TYR 236 H 0.06 0.56 0.01 -0.55 8.29 8.37 2gb8A12 TYR 236 HA -0.40 0.08 0.54 -0.75 4.56 4.03 2gb8A12 TYR 236 HB2 -0.47 0.01 -0.03 -0.04 3.06 2.53 2gb8A12 TYR 236 HB3 -0.30 0.02 -0.00 -0.04 2.98 2.66 2gb8A12 TYR 236 HD2 -0.80 -0.01 -0.08 -0.04 7.15 6.22 2gb8A12 TYR 236 HE2 -0.70 0.07 -0.06 -0.04 6.85 6.12 2gb8A12 SER 237 H 0.03 0.71 -0.33 -0.55 8.46 8.33 2gb8A12 SER 237 HA -0.04 -0.02 0.33 -0.75 4.49 4.01 2gb8A12 SER 237 HB2 0.09 -0.42 0.19 -0.04 3.95 3.76 2gb8A12 SER 237 HB3 0.09 0.18 0.08 -0.04 3.93 4.25 2gb8A12 LEU 238 H -0.12 0.47 -1.00 -0.55 8.37 7.17 2gb8A12 LEU 238 HA -0.09 -0.05 0.45 -0.75 4.35 3.91 2gb8A12 LEU 238 HB2 -0.11 0.27 0.07 -0.04 1.64 1.83 2gb8A12 LEU 238 HB3 -0.07 -0.09 -0.00 -0.04 1.64 1.44 2gb8A12 LEU 238 HG -0.19 0.05 0.03 -0.04 1.64 1.48 2gb8A12 LEU 238 HD13 0.02 0.02 0.05 -0.04 0.93 0.97 2gb8A12 LEU 238 HD23 -0.61 -0.03 -0.02 -0.04 0.89 0.18 2gb8A12 ILE 239 H -0.29 0.63 -0.09 -0.55 8.25 7.95 2gb8A12 ILE 239 HA -0.10 0.15 0.97 -0.75 4.18 4.44 2gb8A12 ILE 239 HB -0.22 0.01 0.05 -0.04 1.89 1.70 2gb8A12 ILE 239 HG12 -0.64 -0.02 0.09 -0.04 1.49 0.88 2gb8A12 ILE 239 HG13 -0.80 0.04 -0.04 -0.04 1.21 0.37 2gb8A12 ILE 239 HG23 -0.16 0.00 -0.14 -0.04 0.93 0.59 2gb8A12 ILE 239 HD13 -0.57 0.02 -0.07 -0.04 0.88 0.21 2gb8A12 GLN 240 H -0.19 0.21 -0.27 -0.55 8.47 7.68 2gb8A12 GLN 240 HA -0.11 0.18 0.64 -0.75 4.36 4.32 2gb8A12 GLN 240 HB2 -0.04 -0.03 0.05 -0.04 2.15 2.09 2gb8A12 GLN 240 HB3 -0.02 -0.03 0.06 -0.04 2.02 1.99 2gb8A12 GLN 240 HG2 -0.10 0.02 -0.03 -0.04 2.40 2.24 2gb8A12 GLN 240 HG3 -0.41 0.05 -0.14 -0.04 2.39 1.85 2gb8A12 GLN 240 HE21 0.11 0.02 -0.04 -0.04 6.97 7.02 2gb8A12 GLN 240 HE22 0.23 -0.02 -0.07 -0.04 7.69 7.79 2gb8A12 ASP 241 H 0.04 0.25 -0.25 -0.55 8.40 7.88 2gb8A12 ASP 241 HA 0.01 0.25 0.91 -0.75 4.63 5.05 2gb8A12 ASP 241 HB2 0.15 0.01 0.10 -0.04 2.71 2.93 2gb8A12 ASP 241 HB3 0.32 0.03 0.22 -0.04 2.70 3.23 2gb8A12 PRO 242 HA -0.03 0.16 0.25 -0.51 4.44 4.32 2gb8A12 PRO 242 HB2 -0.03 0.03 -0.08 -0.04 2.28 2.16 2gb8A12 PRO 242 HB3 -0.02 0.09 0.09 -0.04 2.02 2.14 2gb8A12 PRO 242 HG2 -0.04 -0.02 0.04 -0.04 2.03 1.97 2gb8A12 PRO 242 HG3 -0.02 0.09 0.08 -0.04 2.03 2.14 2gb8A12 PRO 242 HD2 -0.02 0.01 0.27 -0.04 3.68 3.91 2gb8A12 PRO 242 HD3 -0.01 0.37 0.26 -0.04 3.65 4.22 2gb8A12 LYS 243 H -0.08 0.01 -0.70 -0.55 8.42 7.10 2gb8A12 LYS 243 HA -0.07 0.20 0.71 -0.75 4.32 4.40 2gb8A12 LYS 243 HB2 -0.25 -0.03 -0.01 -0.04 1.87 1.54 2gb8A12 LYS 243 HB3 -0.18 0.01 -0.05 -0.04 1.79 1.54 2gb8A12 LYS 243 HG2 -0.08 0.04 -0.02 -0.04 1.46 1.36 2gb8A12 LYS 243 HG3 -0.08 -0.03 -0.17 -0.04 1.46 1.14 2gb8A12 LYS 243 HD2 -0.13 -0.00 -0.02 -0.04 1.69 1.50 2gb8A12 LYS 243 HD3 -0.07 0.04 -0.03 -0.04 1.68 1.59 2gb8A12 LYS 243 HE2 -0.06 0.05 -0.01 -0.04 2.99 2.93 2gb8A12 LYS 243 HE3 -0.10 -0.11 -0.01 -0.04 2.99 2.73 2gb8A12 TYR 244 H -0.04 0.13 -0.08 -0.55 8.29 7.76 2gb8A12 TYR 244 HA -0.02 0.06 0.61 -0.75 4.56 4.46 2gb8A12 TYR 244 HB2 -0.03 0.02 0.30 -0.04 3.06 3.31 2gb8A12 TYR 244 HB3 -0.01 0.14 0.22 -0.04 2.98 3.29 2gb8A12 TYR 244 HD2 0.00 0.02 0.09 -0.04 7.15 7.22 2gb8A12 TYR 244 HE2 0.02 0.04 0.05 -0.04 6.85 6.92 2gb8A12 LEU 245 H 0.06 0.59 0.06 -0.55 8.37 8.54 2gb8A12 LEU 245 HA -0.01 0.02 0.32 -0.75 4.35 3.92 2gb8A12 LEU 245 HB2 -0.03 0.12 -0.00 -0.04 1.64 1.69 2gb8A12 LEU 245 HB3 -0.03 0.01 -0.06 -0.04 1.64 1.53 2gb8A12 LEU 245 HG -0.06 0.16 0.04 -0.04 1.64 1.74 2gb8A12 LEU 245 HD13 -0.04 -0.01 -0.11 -0.04 0.93 0.73 2gb8A12 LEU 245 HD23 -0.06 -0.02 0.06 -0.04 0.89 0.82 2gb8A12 SER 246 H -0.03 0.18 -0.62 -0.55 8.46 7.44 2gb8A12 SER 246 HA -0.07 0.23 0.99 -0.75 4.49 4.88 2gb8A12 SER 246 HB2 -0.07 -0.03 0.07 -0.04 3.95 3.88 2gb8A12 SER 246 HB3 -0.05 0.07 0.06 -0.04 3.93 3.96 2gb8A12 ILE 247 H -0.05 0.33 -0.25 -0.55 8.25 7.73 2gb8A12 ILE 247 HA -0.32 0.08 0.74 -0.75 4.18 3.93 2gb8A12 ILE 247 HB 0.01 0.14 0.19 -0.04 1.89 2.19 2gb8A12 ILE 247 HG12 -0.09 -0.05 0.03 -0.04 1.49 1.34 2gb8A12 ILE 247 HG13 -0.07 0.02 0.02 -0.04 1.21 1.14 2gb8A12 ILE 247 HG23 -0.25 -0.04 0.05 -0.04 0.93 0.65 2gb8A12 ILE 247 HD13 0.06 -0.01 -0.04 -0.04 0.88 0.84 2gb8A12 VAL 248 H -0.05 0.56 -0.00 -0.55 8.24 8.20 2gb8A12 VAL 248 HA -0.13 0.02 0.26 -0.75 4.13 3.53 2gb8A12 VAL 248 HB -0.02 0.08 -0.02 -0.04 2.12 2.12 2gb8A12 VAL 248 HG13 0.08 -0.01 -0.11 -0.04 0.97 0.88 2gb8A12 VAL 248 HG23 0.08 0.01 -0.18 -0.04 0.95 0.81 2gb8A12 LYS 249 H -0.11 0.19 -0.71 -0.55 8.42 7.24 2gb8A12 LYS 249 HA -0.06 0.10 0.51 -0.75 4.32 4.11 2gb8A12 LYS 249 HB2 -0.08 0.06 0.11 -0.04 1.87 1.92 2gb8A12 LYS 249 HB3 -0.06 -0.03 -0.04 -0.04 1.79 1.63 2gb8A12 LYS 249 HG2 -0.04 -0.01 -0.01 -0.04 1.46 1.36 2gb8A12 LYS 249 HG3 -0.05 0.13 0.03 -0.04 1.46 1.54 2gb8A12 LYS 249 HD2 -0.04 0.02 0.01 -0.04 1.69 1.63 2gb8A12 LYS 249 HD3 -0.04 -0.04 -0.00 -0.04 1.68 1.56 2gb8A12 LYS 249 HE2 -0.02 -0.00 -0.01 -0.04 2.99 2.91 2gb8A12 LYS 249 HE3 -0.03 0.02 -0.01 -0.04 2.99 2.93 2gb8A12 GLU 250 H -0.21 0.33 -0.28 -0.55 8.60 7.89 2gb8A12 GLU 250 HA -0.14 0.03 0.41 -0.75 4.29 3.85 2gb8A12 GLU 250 HB2 -0.27 0.08 0.21 -0.04 2.09 2.07 2gb8A12 GLU 250 HB3 -0.66 0.10 0.26 -0.04 1.99 1.65 2gb8A12 GLU 250 HG2 -0.49 -0.04 -0.03 -0.04 2.34 1.74 2gb8A12 GLU 250 HG3 -0.15 -0.02 -0.11 -0.04 2.34 2.02 2gb8A12 TYR 251 H -0.53 0.56 -0.11 -0.55 8.29 7.66 2gb8A12 TYR 251 HA -0.13 0.03 0.32 -0.75 4.56 4.03 2gb8A12 TYR 251 HB2 -1.07 0.11 -0.00 -0.04 3.06 2.05 2gb8A12 TYR 251 HB3 -0.86 -0.05 -0.01 -0.04 2.98 2.03 2gb8A12 TYR 251 HD2 -0.30 0.02 -0.13 -0.04 7.15 6.71 2gb8A12 TYR 251 HE2 0.04 -0.04 -0.20 -0.04 6.85 6.61 2gb8A12 ALA 252 H -0.09 0.34 -0.52 -0.55 8.40 7.58 2gb8A12 ALA 252 HA 0.06 -0.02 0.41 -0.75 4.34 4.03 2gb8A12 ALA 252 HB3 0.01 0.03 -0.04 -0.04 1.41 1.38 2gb8A12 ASN 253 H -0.02 0.35 -0.47 -0.55 8.53 7.84 2gb8A12 ASN 253 HA -0.01 0.04 0.66 -0.75 4.76 4.69 2gb8A12 ASN 253 HB2 -0.04 0.40 0.27 -0.04 2.88 3.47 2gb8A12 ASN 253 HB3 -0.02 -0.13 -0.10 -0.04 2.79 2.50 2gb8A12 ASN 253 HD21 -0.01 -0.03 0.06 -0.04 7.03 7.00 2gb8A12 ASN 253 HD22 -0.02 -0.04 0.02 -0.04 7.74 7.66 2gb8A12 ASP 254 H 0.03 0.31 -0.03 -0.55 8.40 8.17 2gb8A12 ASP 254 HA 0.02 0.15 0.62 -0.75 4.63 4.67 2gb8A12 ASP 254 HB2 0.01 0.08 -0.09 -0.04 2.71 2.67 2gb8A12 ASP 254 HB3 0.06 -0.10 0.11 -0.04 2.70 2.74 2gb8A12 GLN 255 HA 0.10 0.10 0.36 -0.75 4.36 4.17 2gb8A12 GLN 255 HB2 -0.09 0.06 0.10 -0.04 2.15 2.19 2gb8A12 GLN 255 HB3 -0.23 0.05 0.02 -0.04 2.02 1.82 2gb8A12 GLN 255 HG2 -0.07 -0.03 0.06 -0.04 2.40 2.31 2gb8A12 GLN 255 HG3 -0.11 -0.10 0.04 -0.04 2.39 2.19 2gb8A12 GLN 255 HE21 -0.21 -0.21 0.11 -0.04 6.97 6.62 2gb8A12 GLN 255 HE22 -0.40 0.20 0.08 -0.04 7.69 7.53 2gb8A12 ASP 256 H -0.02 0.21 -0.16 -0.55 8.40 7.89 2gb8A12 ASP 256 HA 0.01 0.11 0.48 -0.75 4.63 4.48 2gb8A12 ASP 256 HB2 0.03 -0.00 0.03 -0.04 2.71 2.73 2gb8A12 ASP 256 HB3 0.03 0.04 0.06 -0.04 2.70 2.79 2gb8A12 LYS 257 H 0.09 0.16 -0.29 -0.55 8.42 7.83 2gb8A12 LYS 257 HA 0.13 0.03 0.33 -0.75 4.32 4.06 2gb8A12 LYS 257 HB2 0.11 -0.02 0.07 -0.04 1.87 2.00 2gb8A12 LYS 257 HB3 0.27 0.20 0.08 -0.04 1.79 2.30 2gb8A12 LYS 257 HG2 0.15 0.01 -0.05 -0.04 1.46 1.52 2gb8A12 LYS 257 HG3 0.31 -0.05 -0.10 -0.04 1.46 1.58 2gb8A12 LYS 257 HD2 0.08 -0.02 0.01 -0.04 1.69 1.73 2gb8A12 LYS 257 HD3 0.06 0.02 -0.01 -0.04 1.68 1.71 2gb8A12 LYS 257 HE2 0.13 -0.03 -0.02 -0.04 2.99 3.03 2gb8A12 LYS 257 HE3 0.08 0.00 -0.01 -0.04 2.99 3.03 2gb8A12 PHE 258 H 0.28 0.51 -0.08 -0.55 8.34 8.49 2gb8A12 PHE 258 HA -0.71 -0.05 0.44 -0.75 4.62 3.54 2gb8A12 PHE 258 HB2 -0.34 -0.02 0.10 -0.04 3.15 2.86 2gb8A12 PHE 258 HB3 -0.04 0.11 0.15 -0.04 3.06 3.25 2gb8A12 PHE 258 HD2 -0.29 -0.07 -0.03 -0.04 7.28 6.86 2gb8A12 PHE 258 HE2 -0.37 0.21 -0.09 -0.04 7.38 7.09 2gb8A12 PHE 258 HZ -0.46 0.01 -0.21 -0.04 7.32 6.62 2gb8A12 PHE 259 H 0.16 0.91 -0.18 -0.55 8.34 8.67 2gb8A12 PHE 259 HA -0.49 -0.02 0.42 -0.75 4.62 3.78 2gb8A12 PHE 259 HB2 -0.07 0.08 0.18 -0.04 3.15 3.31 2gb8A12 PHE 259 HB3 -0.06 -0.07 -0.00 -0.04 3.06 2.89 2gb8A12 PHE 259 HD2 -0.37 -0.09 -0.09 -0.04 7.28 6.68 2gb8A12 PHE 259 HE2 -0.25 0.09 -0.15 -0.04 7.38 7.03 2gb8A12 PHE 259 HZ 0.02 0.44 0.08 -0.04 7.32 7.82 2gb8A12 LYS 260 H 0.11 0.78 -0.02 -0.55 8.42 8.73 2gb8A12 LYS 260 HA 0.04 0.03 0.57 -0.75 4.32 4.21 2gb8A12 LYS 260 HB2 0.08 0.03 0.15 -0.04 1.87 2.09 2gb8A12 LYS 260 HB3 0.05 -0.07 -0.04 -0.04 1.79 1.69 2gb8A12 LYS 260 HG2 0.04 -0.05 0.00 -0.04 1.46 1.42 2gb8A12 LYS 260 HG3 0.05 0.00 0.04 -0.04 1.46 1.52 2gb8A12 LYS 260 HD2 0.09 0.00 -0.01 -0.04 1.69 1.73 2gb8A12 LYS 260 HD3 0.08 0.04 -0.15 -0.04 1.68 1.60 2gb8A12 LYS 260 HE2 0.04 -0.01 -0.02 -0.04 2.99 2.96 2gb8A12 LYS 260 HE3 0.05 -0.01 -0.03 -0.04 2.99 2.96 2gb8A12 ASP 261 H 0.06 0.85 0.04 -0.55 8.40 8.80 2gb8A12 ASP 261 HA 0.05 0.04 0.67 -0.75 4.63 4.64 2gb8A12 ASP 261 HB2 0.08 0.06 0.14 -0.04 2.71 2.96 2gb8A12 ASP 261 HB3 0.14 -0.09 -0.04 -0.04 2.70 2.67 2gb8A12 PHE 262 H -0.03 0.89 0.04 -0.55 8.34 8.70 2gb8A12 PHE 262 HA -0.02 -0.07 0.40 -0.75 4.62 4.17 2gb8A12 PHE 262 HB2 -0.43 0.01 0.02 -0.04 3.15 2.72 2gb8A12 PHE 262 HB3 -0.45 0.13 0.02 -0.04 3.06 2.72 2gb8A12 PHE 262 HD2 -0.05 0.03 -0.34 -0.04 7.28 6.87 2gb8A12 PHE 262 HE2 -0.36 0.07 -0.04 -0.04 7.38 7.00 2gb8A12 PHE 262 HZ -0.75 0.02 -0.04 -0.04 7.32 6.50 2gb8A12 SER 263 H -0.01 0.52 -0.27 -0.55 8.46 8.14 2gb8A12 SER 263 HA -0.09 0.00 0.33 -0.75 4.49 3.98 2gb8A12 SER 263 HB2 0.00 0.02 0.04 -0.04 3.95 3.97 2gb8A12 SER 263 HB3 -0.01 0.02 0.03 -0.04 3.93 3.92 2gb8A12 LYS 264 H -0.04 0.33 -0.35 -0.55 8.42 7.81 2gb8A12 LYS 264 HA -0.04 0.02 0.47 -0.75 4.32 4.02 2gb8A12 LYS 264 HB2 -0.01 0.16 0.26 -0.04 1.87 2.24 2gb8A12 LYS 264 HB3 -0.02 -0.09 0.03 -0.04 1.79 1.67 2gb8A12 LYS 264 HG2 -0.02 -0.05 0.07 -0.04 1.46 1.42 2gb8A12 LYS 264 HG3 -0.00 0.19 0.14 -0.04 1.46 1.74 2gb8A12 LYS 264 HD2 0.02 -0.04 0.02 -0.04 1.69 1.65 2gb8A12 LYS 264 HD3 -0.00 -0.05 0.02 -0.04 1.68 1.60 2gb8A12 LYS 264 HE2 0.01 -0.06 -0.01 -0.04 2.99 2.89 2gb8A12 LYS 264 HE3 0.00 -0.00 0.01 -0.04 2.99 2.96 2gb8A12 ALA 265 H -0.08 0.77 -0.03 -0.55 8.40 8.51 2gb8A12 ALA 265 HA -0.06 -0.00 0.43 -0.75 4.34 3.95 2gb8A12 ALA 265 HB3 -0.09 -0.02 0.10 -0.04 1.41 1.36 2gb8A12 PHE 266 H -0.38 1.12 0.07 -0.55 8.34 8.60 2gb8A12 PHE 266 HA -0.28 -0.02 0.38 -0.75 4.62 3.94 2gb8A12 PHE 266 HB2 -1.36 0.02 0.05 -0.04 3.15 1.82 2gb8A12 PHE 266 HB3 -0.38 0.05 -0.04 -0.04 3.06 2.65 2gb8A12 PHE 266 HD2 -0.10 0.00 -0.07 -0.04 7.28 7.07 2gb8A12 PHE 266 HE2 0.12 -0.04 -0.15 -0.04 7.38 7.27 2gb8A12 PHE 266 HZ 0.12 -0.02 -0.02 -0.04 7.32 7.36 2gb8A12 GLU 267 H -0.08 0.58 -0.29 -0.55 8.60 8.27 2gb8A12 GLU 267 HA -0.16 0.01 0.56 -0.75 4.29 3.96 2gb8A12 GLU 267 HB2 -0.03 0.13 0.12 -0.04 2.09 2.26 2gb8A12 GLU 267 HB3 -0.08 0.03 -0.02 -0.04 1.99 1.88 2gb8A12 GLU 267 HG2 -0.12 -0.13 -0.04 -0.04 2.34 2.01 2gb8A12 GLU 267 HG3 -0.02 0.21 0.03 -0.04 2.34 2.52 2gb8A12 LYS 268 H -0.10 0.51 -0.17 -0.55 8.42 8.11 2gb8A12 LYS 268 HA -0.10 -0.02 0.58 -0.75 4.32 4.03 2gb8A12 LYS 268 HB2 -0.06 0.13 0.19 -0.04 1.87 2.10 2gb8A12 LYS 268 HB3 -0.04 0.03 0.09 -0.04 1.79 1.83 2gb8A12 LYS 268 HG2 -0.07 -0.03 0.09 -0.04 1.46 1.41 2gb8A12 LYS 268 HG3 -0.04 -0.05 0.05 -0.04 1.46 1.37 2gb8A12 LYS 268 HD2 0.01 -0.10 -0.02 -0.04 1.69 1.54 2gb8A12 LYS 268 HD3 0.01 0.07 -0.12 -0.04 1.68 1.60 2gb8A12 LYS 268 HE2 0.03 0.04 0.03 -0.04 2.99 3.05 2gb8A12 LYS 268 HE3 -0.00 -0.06 0.03 -0.04 2.99 2.91 2gb8A12 LEU 269 H -0.10 0.81 -0.18 -0.55 8.37 8.36 2gb8A12 LEU 269 HA 0.04 0.02 0.35 -0.75 4.35 4.01 2gb8A12 LEU 269 HB2 -0.03 0.10 0.15 -0.04 1.64 1.82 2gb8A12 LEU 269 HB3 -0.01 -0.00 -0.12 -0.04 1.64 1.46 2gb8A12 LEU 269 HG 0.20 -0.02 -0.02 -0.04 1.64 1.75 2gb8A12 LEU 269 HD13 0.20 -0.03 -0.06 -0.04 0.93 1.01 2gb8A12 LEU 269 HD23 0.56 -0.00 -0.03 -0.04 0.89 1.38 2gb8A12 LEU 270 H -0.22 0.35 -0.33 -0.55 8.37 7.62 2gb8A12 LEU 270 HA -0.08 0.04 0.65 -0.75 4.35 4.21 2gb8A12 LEU 270 HB2 -0.18 0.08 0.14 -0.04 1.64 1.64 2gb8A12 LEU 270 HB3 -0.03 -0.10 0.02 -0.04 1.64 1.48 2gb8A12 LEU 270 HG -0.69 0.07 -0.01 -0.04 1.64 0.98 2gb8A12 LEU 270 HD13 -0.47 -0.01 -0.05 -0.04 0.93 0.36 2gb8A12 LEU 270 HD23 -0.04 -0.02 0.00 -0.04 0.89 0.79 2gb8A12 GLU 271 H -0.14 0.48 -0.17 -0.55 8.60 8.23 2gb8A12 GLU 271 HA -0.03 0.05 0.66 -0.75 4.29 4.22 2gb8A12 GLU 271 HB2 -0.12 0.13 0.10 -0.04 2.09 2.15 2gb8A12 GLU 271 HB3 0.03 -0.06 0.09 -0.04 1.99 2.00 2gb8A12 GLU 271 HG2 -0.11 -0.07 -0.04 -0.04 2.34 2.08 2gb8A12 GLU 271 HG3 -0.15 0.08 -0.01 -0.04 2.34 2.22 2gb8A12 ASN 272 H -0.25 0.31 -0.19 -0.55 8.53 7.84 2gb8A12 ASN 272 HA -0.62 -0.08 0.46 -0.75 4.76 3.75 2gb8A12 ASN 272 HB2 -0.45 0.15 0.15 -0.04 2.88 2.69 2gb8A12 ASN 272 HB3 -1.87 -0.05 -0.08 -0.04 2.79 0.75 2gb8A12 ASN 272 HD21 -0.06 -0.05 0.05 -0.04 7.03 6.93 2gb8A12 ASN 272 HD22 -0.01 -0.03 -0.06 -0.04 7.74 7.60 2gb8A12 GLY 273 H -0.60 0.13 0.24 -0.55 8.43 7.65 2gb8A12 GLY 273 HA2 0.03 0.00 0.34 -0.51 4.01 3.88 2gb8A12 GLY 273 HA3 -0.29 0.14 0.56 -0.51 4.01 3.91 2gb8A12 ILE 274 H -0.17 0.27 0.05 -0.55 8.25 7.85 2gb8A12 ILE 274 HA -0.21 0.18 0.77 -0.75 4.18 4.17 2gb8A12 ILE 274 HB -0.02 0.14 0.05 -0.04 1.89 2.02 2gb8A12 ILE 274 HG12 0.07 -0.10 -0.18 -0.04 1.49 1.25 2gb8A12 ILE 274 HG13 -0.11 0.03 -0.50 -0.04 1.21 0.59 2gb8A12 ILE 274 HG23 -0.59 -0.04 -0.32 -0.04 0.93 -0.06 2gb8A12 ILE 274 HD13 0.01 -0.03 -0.10 -0.04 0.88 0.72 2gb8A12 THR 275 H -0.23 1.27 0.44 -0.55 8.28 9.22 2gb8A12 THR 275 HA -0.01 0.15 0.86 -0.75 4.39 4.64 2gb8A12 THR 275 HB -0.10 -0.05 -0.01 -0.04 4.32 4.11 2gb8A12 THR 275 HG23 -0.01 -0.01 -0.18 -0.04 1.22 0.97 2gb8A12 PHE 276 H 0.20 0.22 0.15 -0.55 8.34 8.36 2gb8A12 PHE 276 HA -0.03 0.10 0.72 -0.75 4.62 4.66 2gb8A12 PHE 276 HB2 -0.07 -0.02 0.16 -0.04 3.15 3.17 2gb8A12 PHE 276 HB3 -0.07 0.09 0.00 -0.04 3.06 3.05 2gb8A12 PHE 276 HD2 -0.09 0.04 -0.03 -0.04 7.28 7.16 2gb8A12 PHE 276 HE2 -0.17 0.16 -0.09 -0.04 7.38 7.24 2gb8A12 PHE 276 HZ -0.22 -0.02 -0.17 -0.04 7.32 6.87 2gb8A12 PRO 277 HA 0.02 0.07 0.35 -0.51 4.44 4.38 2gb8A12 PRO 277 HB2 0.03 -0.14 0.06 -0.04 2.28 2.18 2gb8A12 PRO 277 HB3 0.01 0.08 0.14 -0.04 2.02 2.21 2gb8A12 PRO 277 HG2 0.05 -0.06 0.06 -0.04 2.03 2.04 2gb8A12 PRO 277 HG3 0.02 0.13 0.12 -0.04 2.03 2.26 2gb8A12 PRO 277 HD2 0.01 0.10 0.33 -0.04 3.68 4.09 2gb8A12 PRO 277 HD3 -0.04 0.21 0.29 -0.04 3.65 4.07 2gb8A12 LYS 278 H 0.02 0.13 0.18 -0.55 8.42 8.19 2gb8A12 LYS 278 HA 0.01 0.22 0.50 -0.75 4.32 4.30 2gb8A12 LYS 278 HB2 0.01 -0.02 0.16 -0.04 1.87 1.97 2gb8A12 LYS 278 HB3 0.00 -0.01 0.05 -0.04 1.79 1.80 2gb8A12 LYS 278 HG2 -0.01 0.02 0.14 -0.04 1.46 1.57 2gb8A12 LYS 278 HG3 -0.01 0.05 0.08 -0.04 1.46 1.54 2gb8A12 LYS 278 HD2 -0.01 0.00 0.03 -0.04 1.69 1.68 2gb8A12 LYS 278 HD3 -0.00 -0.02 0.04 -0.04 1.68 1.66 2gb8A12 LYS 278 HE2 -0.00 -0.01 0.01 -0.04 2.99 2.95 2gb8A12 LYS 278 HE3 -0.01 0.00 0.03 -0.04 2.99 2.97 2gb8A12 ASP 279 H 0.02 -0.06 -0.53 -0.55 8.40 7.29 2gb8A12 ASP 279 HA 0.01 0.19 0.70 -0.75 4.63 4.77 2gb8A12 ASP 279 HB2 0.02 0.01 0.08 -0.04 2.71 2.77 2gb8A12 ASP 279 HB3 0.01 -0.03 0.00 -0.04 2.70 2.65 2gb8A12 ALA 280 H 0.04 0.28 -0.32 -0.55 8.40 7.86 2gb8A12 ALA 280 HA 0.06 0.03 0.51 -0.75 4.34 4.19 2gb8A12 ALA 280 HB3 0.13 -0.00 0.01 -0.04 1.41 1.51 2gb8A12 PRO 281 HA -0.05 0.04 0.45 -0.51 4.44 4.37 2gb8A12 PRO 281 HB2 -0.11 0.13 -0.01 -0.04 2.28 2.25 2gb8A12 PRO 281 HB3 0.10 -0.03 0.11 -0.04 2.02 2.16 2gb8A12 PRO 281 HG2 0.20 0.00 0.05 -0.04 2.03 2.24 2gb8A12 PRO 281 HG3 0.26 -0.02 0.07 -0.04 2.03 2.30 2gb8A12 PRO 281 HD2 0.09 0.09 0.16 -0.04 3.68 3.98 2gb8A12 PRO 281 HD3 0.10 0.12 0.21 -0.04 3.65 4.04 2gb8A12 SER 282 H -0.16 0.02 0.14 -0.55 8.46 7.92 2gb8A12 SER 282 HA -0.25 0.10 0.37 -0.75 4.49 3.95 2gb8A12 SER 282 HB2 -0.18 -0.11 0.14 -0.04 3.95 3.76 2gb8A12 SER 282 HB3 -0.21 0.13 0.08 -0.04 3.93 3.88 2gb8A12 PRO 283 HA -0.51 0.10 0.45 -0.51 4.44 3.97 2gb8A12 PRO 283 HB2 -0.15 -0.04 -0.15 -0.04 2.28 1.90 2gb8A12 PRO 283 HB3 -0.29 0.03 -0.08 -0.04 2.02 1.65 2gb8A12 PRO 283 HG2 -0.18 -0.01 0.02 -0.04 2.03 1.82 2gb8A12 PRO 283 HG3 -0.21 0.06 0.01 -0.04 2.03 1.84 2gb8A12 PRO 283 HD2 -0.23 0.03 0.22 -0.04 3.68 3.66 2gb8A12 PRO 283 HD3 -0.30 0.18 0.14 -0.04 3.65 3.63 2gb8A12 PHE 284 H -0.12 0.77 0.40 -0.55 8.34 8.84 2gb8A12 PHE 284 HA -0.13 0.08 0.51 -0.75 4.62 4.33 2gb8A12 PHE 284 HB2 0.01 0.02 0.01 -0.04 3.15 3.14 2gb8A12 PHE 284 HB3 -0.30 -0.05 -0.08 -0.04 3.06 2.58 2gb8A12 PHE 284 HD2 0.17 0.02 -0.00 -0.04 7.28 7.43 2gb8A12 PHE 284 HE2 0.01 -0.11 0.01 -0.04 7.38 7.25 2gb8A12 PHE 284 HZ 0.09 -0.02 -0.04 -0.04 7.32 7.31 2gb8A12 ILE 285 H -0.10 0.21 0.08 -0.55 8.25 7.90 2gb8A12 ILE 285 HA 0.06 0.15 0.72 -0.75 4.18 4.36 2gb8A12 ILE 285 HB -0.08 -0.04 0.12 -0.04 1.89 1.85 2gb8A12 ILE 285 HG12 -0.04 -0.01 -0.33 -0.04 1.49 1.07 2gb8A12 ILE 285 HG13 -0.03 0.00 -0.08 -0.04 1.21 1.06 2gb8A12 ILE 285 HG23 0.01 0.00 -0.14 -0.04 0.93 0.77 2gb8A12 ILE 285 HD13 0.04 0.03 -0.16 -0.04 0.88 0.75 2gb8A12 PHE 286 H 0.20 0.20 -0.03 -0.55 8.34 8.16 2gb8A12 PHE 286 HA 0.19 0.07 0.71 -0.75 4.62 4.84 2gb8A12 PHE 286 HB2 -0.41 0.04 -0.04 -0.04 3.15 2.69 2gb8A12 PHE 286 HB3 -0.70 0.07 0.01 -0.04 3.06 2.40 2gb8A12 PHE 286 HD2 -0.18 0.03 -0.09 -0.04 7.28 7.00 2gb8A12 PHE 286 HE2 -0.09 -0.01 -0.30 -0.04 7.38 6.94 2gb8A12 PHE 286 HZ -0.03 -0.03 -0.13 -0.04 7.32 7.09 2gb8A12 LYS 287 H 0.07 0.08 0.12 -0.55 8.42 8.14 2gb8A12 LYS 287 HA 0.02 0.10 0.51 -0.75 4.32 4.19 2gb8A12 LYS 287 HB2 0.05 -0.03 0.05 -0.04 1.87 1.90 2gb8A12 LYS 287 HB3 0.04 0.08 -0.09 -0.04 1.79 1.78 2gb8A12 LYS 287 HG2 0.07 -0.01 -0.09 -0.04 1.46 1.38 2gb8A12 LYS 287 HG3 0.07 0.00 -0.02 -0.04 1.46 1.47 2gb8A12 LYS 287 HD2 0.03 -0.04 0.01 -0.04 1.69 1.66 2gb8A12 LYS 287 HD3 0.02 0.01 -0.06 -0.04 1.68 1.61 2gb8A12 LYS 287 HE2 0.03 -0.02 -0.03 -0.04 2.99 2.94 2gb8A12 LYS 287 HE3 0.04 0.06 -0.09 -0.04 2.99 2.96 2gb8A12 THR 288 H 0.05 0.08 0.07 -0.55 8.28 7.93 2gb8A12 THR 288 HA 0.23 0.16 0.49 -0.75 4.39 4.52 2gb8A12 THR 288 HB 0.14 -0.02 0.12 -0.04 4.32 4.52 2gb8A12 THR 288 HG23 0.13 0.06 -0.14 -0.04 1.22 1.24 2gb8A12 LEU 289 H 0.15 0.19 0.10 -0.55 8.37 8.27 2gb8A12 LEU 289 HA 0.10 0.16 0.60 -0.75 4.35 4.45 2gb8A12 LEU 289 HB2 0.09 0.07 0.16 -0.04 1.64 1.92 2gb8A12 LEU 289 HB3 0.07 -0.05 0.03 -0.04 1.64 1.64 2gb8A12 LEU 289 HG 0.07 -0.00 0.04 -0.04 1.64 1.71 2gb8A12 LEU 289 HD13 0.13 0.03 -0.03 -0.04 0.93 1.02 2gb8A12 LEU 289 HD23 0.05 0.02 -0.08 -0.04 0.89 0.84 2gb8A12 GLU 290 H 0.08 0.18 0.01 -0.55 8.60 8.32 2gb8A12 GLU 290 HA 0.05 0.03 0.10 -0.75 4.29 3.72 2gb8A12 GLU 290 HB2 0.07 0.04 0.11 -0.04 2.09 2.27 2gb8A12 GLU 290 HB3 0.06 0.04 -0.03 -0.04 1.99 2.02 2gb8A12 GLU 290 HG2 0.05 -0.02 -0.11 -0.04 2.34 2.22 2gb8A12 GLU 290 HG3 0.05 0.01 -0.02 -0.04 2.34 2.34 2gb8A12 GLU 291 H 0.05 0.00 0.14 -0.55 8.60 8.25 2gb8A12 GLU 291 HA 0.04 0.00 0.51 -0.75 4.29 4.09 2gb8A12 GLU 291 HB2 0.05 -0.07 0.01 -0.04 2.09 2.04 2gb8A12 GLU 291 HB3 0.04 0.03 0.04 -0.04 1.99 2.07 2gb8A12 GLU 291 HG2 0.04 0.06 0.04 -0.04 2.34 2.44 2gb8A12 GLU 291 HG3 0.05 -0.03 0.02 -0.04 2.34 2.34 2gb8A12 GLN 292 H 0.06 0.70 -0.69 -0.55 8.47 7.99 2gb8A12 GLN 292 HA 0.04 0.20 0.96 -0.75 4.36 4.81 2gb8A12 GLN 292 HB2 0.06 0.02 0.16 -0.04 2.15 2.35 2gb8A12 GLN 292 HB3 0.05 -0.06 0.20 -0.04 2.02 2.17 2gb8A12 GLN 292 HG2 0.05 -0.03 -0.06 -0.04 2.40 2.33 2gb8A12 GLN 292 HG3 0.06 -0.00 -0.31 -0.04 2.39 2.09 2gb8A12 GLN 292 HE21 0.06 -0.02 -0.01 -0.04 6.97 6.96 2gb8A12 GLN 292 HE22 0.07 -0.02 -0.04 -0.04 7.69 7.66 2gb8A12 GLY 293 H 0.04 0.36 -0.42 -0.55 8.43 7.87 2gb8A12 GLY 293 HA2 0.03 0.02 0.30 -0.51 4.01 3.85 2gb8A12 GLY 293 HA3 0.03 0.09 0.41 -0.51 4.01 4.04 2gb8A12 LEU 294 H 0.05 0.23 -0.78 -0.55 8.37 7.33 2gb8A12 LEU 294 HA 0.04 0.16 0.36 -0.75 4.35 4.16 2gb8A12 LEU 294 HB2 0.06 -0.05 -0.03 -0.04 1.64 1.57 2gb8A12 LEU 294 HB3 0.05 0.00 -0.00 -0.04 1.64 1.64 2gb8A12 LEU 294 HG 0.04 0.03 -0.12 -0.04 1.64 1.54 2gb8A12 LEU 294 HD13 0.05 0.05 -0.00 -0.04 0.93 0.98 2gb8A12 LEU 294 HD23 0.04 -0.01 -0.01 -0.04 0.89 0.87