============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 2 0.840 -0.517 11.439 -38.109 -99.200 -91.000 TYR 9 0.840 -3.492 7.303 -59.254 -99.200 -91.000 TYR 11 0.840 3.232 2.621 -57.255 -99.200 -91.000 HIS 17 0.900 -0.979 12.788 -69.731 -99.200 -91.000 HIS 26 0.900 6.037 12.929 -55.670 -99.200 -91.000 HIS 27 0.900 2.475 5.565 -52.495 -99.200 -91.000 HIS 30 0.900 11.370 12.190 -52.919 -99.200 -91.000 HIS 31 0.900 2.481 10.513 -48.874 -99.200 -91.000 TYR 34 0.840 7.982 14.710 -47.270 -99.200 -91.000 HIS 78 0.900 0.426 11.487 -44.180 -99.200 -91.000 HIS 81 0.900 4.184 14.846 -51.093 -99.200 -91.000 PHE 84 1.000 0.506 15.792 -56.940 -99.200 -91.000 TRP 85 1.040 -0.007 10.233 -53.160 -99.200 -91.000 TRP6 85 1.020 1.657 10.753 -54.758 -99.200 -91.000 PHE 108 1.000 -9.622 31.746 -60.199 -99.200 -91.000 PHE 111 1.000 -10.391 24.247 -66.760 -99.200 -91.000 PHE 114 1.000 -7.867 27.196 -61.978 -99.200 -91.000 PHE 118 1.000 -2.679 25.313 -60.091 -99.200 -91.000 PHE 126 1.000 14.878 30.982 -57.254 -99.200 -91.000 TRP 130 1.040 3.473 21.115 -52.292 -99.200 -91.000 TRP6 130 1.020 2.210 19.272 -53.071 -99.200 -91.000 TRP 132 1.040 -0.876 25.098 -52.073 -99.200 -91.000 TRP6 132 1.020 -1.269 22.819 -51.602 -99.200 -91.000 TRP 165 1.040 8.836 20.205 -52.714 -99.200 -91.000 TRP6 165 1.020 10.472 19.569 -51.126 -99.200 -91.000 HIS 167 0.900 10.038 15.511 -54.446 -99.200 -91.000 TYR 169 0.840 9.811 19.918 -62.183 -99.200 -91.000 TYR 170 0.840 16.016 17.891 -63.148 -99.200 -91.000 TYR 173 0.840 7.086 16.467 -67.910 -99.200 -91.000 TYR 180 0.840 4.980 18.462 -62.792 -99.200 -91.000 PHE 184 1.000 -2.062 19.299 -61.851 -99.200 -91.000 TRP 185 1.040 -3.329 22.608 -66.804 -99.200 -91.000 TRP6 185 1.020 -4.318 23.277 -64.761 -99.200 -91.000 TRP 190 1.040 -10.694 19.465 -63.654 -99.200 -91.000 TRP6 190 1.020 -10.096 21.302 -62.283 -99.200 -91.000 TYR 197 0.840 -16.797 25.292 -54.580 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2rcvG1 ALA 2 HA -0.10 -0.07 0.17 -0.75 4.34 3.59 2rcvG1 ALA 2 HB3 -0.31 -0.02 0.01 -0.04 1.41 1.05 2rcvG1 TYR 3 H -0.12 0.10 0.08 -0.55 8.29 7.79 2rcvG1 TYR 3 HA 0.06 0.04 0.51 -0.75 4.56 4.42 2rcvG1 TYR 3 HB2 -0.04 0.00 0.06 -0.04 3.06 3.04 2rcvG1 TYR 3 HB3 -0.02 -0.02 0.04 -0.04 2.98 2.94 2rcvG1 TYR 3 HD2 0.10 -0.03 -0.01 -0.04 7.15 7.17 2rcvG1 TYR 3 HE2 0.06 -0.07 -0.05 -0.04 6.85 6.75 2rcvG1 GLU 4 H 0.19 0.16 0.19 -0.55 8.60 8.60 2rcvG1 GLU 4 HA -0.01 0.17 0.86 -0.75 4.29 4.56 2rcvG1 GLU 4 HB2 0.02 0.01 -0.02 -0.04 2.09 2.07 2rcvG1 GLU 4 HB3 0.02 0.10 -0.15 -0.04 1.99 1.92 2rcvG1 GLU 4 HG2 0.09 -0.00 0.03 -0.04 2.34 2.41 2rcvG1 GLU 4 HG3 0.09 -0.03 -0.17 -0.04 2.34 2.20 2rcvG1 LEU 5 H -0.05 0.13 0.09 -0.55 8.37 7.99 2rcvG1 LEU 5 HA -0.14 0.11 0.52 -0.75 4.35 4.08 2rcvG1 LEU 5 HB2 -0.19 -0.03 0.08 -0.04 1.64 1.46 2rcvG1 LEU 5 HB3 -0.11 -0.04 0.12 -0.04 1.64 1.56 2rcvG1 LEU 5 HG -0.21 0.22 -0.20 -0.04 1.64 1.41 2rcvG1 LEU 5 HD13 -0.58 -0.00 -0.11 -0.04 0.93 0.20 2rcvG1 LEU 5 HD23 -0.46 -0.03 -0.08 -0.04 0.89 0.28 2rcvG1 PRO 6 HA 0.10 0.02 0.53 -0.51 4.44 4.58 2rcvG1 PRO 6 HB2 0.18 0.14 0.01 -0.04 2.28 2.57 2rcvG1 PRO 6 HB3 0.19 -0.00 0.11 -0.04 2.02 2.27 2rcvG1 PRO 6 HG2 0.49 0.00 0.04 -0.04 2.03 2.52 2rcvG1 PRO 6 HG3 0.46 0.01 0.10 -0.04 2.03 2.57 2rcvG1 PRO 6 HD2 0.03 0.00 0.24 -0.04 3.68 3.90 2rcvG1 PRO 6 HD3 0.35 0.27 0.28 -0.04 3.65 4.51 2rcvG1 GLU 7 H 0.03 0.08 0.15 -0.55 8.60 8.31 2rcvG1 GLU 7 HA -0.00 0.05 0.56 -0.75 4.29 4.14 2rcvG1 GLU 7 HB2 -0.05 -0.01 0.05 -0.04 2.09 2.05 2rcvG1 GLU 7 HB3 -0.08 0.03 0.07 -0.04 1.99 1.97 2rcvG1 GLU 7 HG2 0.01 0.00 0.01 -0.04 2.34 2.32 2rcvG1 GLU 7 HG3 0.01 0.01 0.05 -0.04 2.34 2.37 2rcvG1 LEU 8 H -0.43 0.05 0.15 -0.55 8.37 7.59 2rcvG1 LEU 8 HA -0.53 0.17 0.52 -0.75 4.35 3.76 2rcvG1 LEU 8 HB2 -0.76 -0.01 0.15 -0.04 1.64 0.97 2rcvG1 LEU 8 HB3 -1.04 0.01 0.05 -0.04 1.64 0.62 2rcvG1 LEU 8 HG -1.48 -0.03 0.04 -0.04 1.64 0.13 2rcvG1 LEU 8 HD13 -0.98 -0.02 -0.05 -0.04 0.93 -0.15 2rcvG1 LEU 8 HD23 -1.30 0.02 -0.02 -0.04 0.89 -0.45 2rcvG1 PRO 9 HA -0.18 0.09 0.51 -0.51 4.44 4.35 2rcvG1 PRO 9 HB2 -0.04 -0.01 0.17 -0.04 2.28 2.36 2rcvG1 PRO 9 HB3 -0.09 0.02 0.10 -0.04 2.02 2.00 2rcvG1 PRO 9 HG2 -0.39 0.05 -0.03 -0.04 2.03 1.62 2rcvG1 PRO 9 HG3 -0.04 0.10 0.03 -0.04 2.03 2.07 2rcvG1 PRO 9 HD2 -0.92 0.07 0.17 -0.04 3.68 2.95 2rcvG1 PRO 9 HD3 -0.24 0.19 0.14 -0.04 3.65 3.70 2rcvG1 TYR 10 H -0.76 0.19 -0.55 -0.55 8.29 6.62 2rcvG1 TYR 10 HA -0.07 0.08 0.49 -0.75 4.56 4.31 2rcvG1 TYR 10 HB2 -0.06 -0.10 0.10 -0.04 3.06 2.96 2rcvG1 TYR 10 HB3 -0.04 0.12 0.04 -0.04 2.98 3.05 2rcvG1 TYR 10 HD2 -0.09 0.13 -0.28 -0.04 7.15 6.86 2rcvG1 TYR 10 HE2 -0.07 0.18 -0.04 -0.04 6.85 6.89 2rcvG1 ALA 11 H 0.09 0.12 0.14 -0.55 8.40 8.20 2rcvG1 ALA 11 HA -0.07 0.15 0.49 -0.75 4.34 4.15 2rcvG1 ALA 11 HB3 0.05 0.01 0.11 -0.04 1.41 1.53 2rcvG1 TYR 12 H 0.12 0.17 0.18 -0.55 8.29 8.21 2rcvG1 TYR 12 HA 0.04 0.18 0.41 -0.75 4.56 4.44 2rcvG1 TYR 12 HB2 0.01 -0.03 0.12 -0.04 3.06 3.12 2rcvG1 TYR 12 HB3 0.02 0.04 0.09 -0.04 2.98 3.08 2rcvG1 TYR 12 HD2 -0.03 -0.05 -0.09 -0.04 7.15 6.94 2rcvG1 TYR 12 HE2 -0.05 0.04 0.01 -0.04 6.85 6.81 2rcvG1 ASP 13 H 0.11 0.05 -0.28 -0.55 8.40 7.74 2rcvG1 ASP 13 HA 0.08 0.19 0.85 -0.75 4.63 4.99 2rcvG1 ASP 13 HB2 0.04 0.03 0.17 -0.04 2.71 2.91 2rcvG1 ASP 13 HB3 0.07 -0.04 0.03 -0.04 2.70 2.72 2rcvG1 ALA 14 H 0.06 0.42 -0.41 -0.55 8.40 7.93 2rcvG1 ALA 14 HA 0.01 0.11 0.44 -0.75 4.34 4.15 2rcvG1 ALA 14 HB3 0.01 0.00 0.10 -0.04 1.41 1.48 2rcvG1 LEU 15 H 0.00 0.08 -0.44 -0.55 8.37 7.47 2rcvG1 LEU 15 HA 0.01 0.29 0.77 -0.75 4.35 4.66 2rcvG1 LEU 15 HB2 0.06 0.06 -0.03 -0.04 1.64 1.68 2rcvG1 LEU 15 HB3 0.05 -0.02 0.07 -0.04 1.64 1.71 2rcvG1 LEU 15 HG -0.29 -0.06 -0.20 -0.04 1.64 1.04 2rcvG1 LEU 15 HD13 -0.11 0.01 -0.09 -0.04 0.93 0.70 2rcvG1 LEU 15 HD23 -0.39 0.05 -0.34 -0.04 0.89 0.17 2rcvG1 GLU 16 H 0.01 0.23 -0.29 -0.55 8.60 8.00 2rcvG1 GLU 16 HA -0.02 -0.03 0.27 -0.75 4.29 3.76 2rcvG1 GLU 16 HB2 -0.01 0.12 0.08 -0.04 2.09 2.23 2rcvG1 GLU 16 HB3 -0.03 -0.01 0.02 -0.04 1.99 1.92 2rcvG1 GLU 16 HG2 0.04 0.02 0.06 -0.04 2.34 2.41 2rcvG1 GLU 16 HG3 0.02 0.01 0.12 -0.04 2.34 2.45 2rcvG1 PRO 17 HA -0.07 -0.04 0.24 -0.51 4.44 4.06 2rcvG1 PRO 17 HB2 -0.07 0.03 0.08 -0.04 2.28 2.28 2rcvG1 PRO 17 HB3 -0.08 -0.01 0.06 -0.04 2.02 1.95 2rcvG1 PRO 17 HG2 -0.26 0.07 -0.09 -0.04 2.03 1.71 2rcvG1 PRO 17 HG3 -0.11 0.01 0.03 -0.04 2.03 1.92 2rcvG1 PRO 17 HD2 -0.61 0.15 0.34 -0.04 3.68 3.52 2rcvG1 PRO 17 HD3 -0.17 0.08 0.06 -0.04 3.65 3.58 2rcvG1 HIS 18 H -0.51 0.34 -0.09 -0.55 8.41 7.61 2rcvG1 HIS 18 HA 0.20 0.01 0.40 -0.75 4.63 4.49 2rcvG1 HIS 18 HB2 0.09 0.08 0.06 -0.04 3.26 3.45 2rcvG1 HIS 18 HB3 0.11 0.02 -0.03 -0.04 3.20 3.26 2rcvG1 HIS 18 HD2 0.01 0.08 -0.14 -0.04 6.97 6.88 2rcvG1 HIS 18 HE1 0.05 -0.05 0.01 -0.04 7.75 7.71 2rcvG1 ILE 19 H 0.17 0.54 -0.20 -0.55 8.25 8.21 2rcvG1 ILE 19 HA 0.31 0.15 0.81 -0.75 4.18 4.70 2rcvG1 ILE 19 HB 0.20 -0.05 -0.02 -0.04 1.89 1.98 2rcvG1 ILE 19 HG12 0.42 0.11 -0.11 -0.04 1.49 1.87 2rcvG1 ILE 19 HG13 0.28 -0.03 -0.39 -0.04 1.21 1.03 2rcvG1 ILE 19 HG23 0.31 0.02 -0.10 -0.04 0.93 1.12 2rcvG1 ILE 19 HD13 0.30 -0.00 -0.06 -0.04 0.88 1.07 2rcvG1 ASP 20 H 0.14 0.14 0.02 -0.55 8.40 8.15 2rcvG1 ASP 20 HA 0.06 0.11 0.38 -0.75 4.63 4.43 2rcvG1 ASP 20 HB2 0.03 -0.10 0.06 -0.04 2.71 2.66 2rcvG1 ASP 20 HB3 0.01 0.18 0.05 -0.04 2.70 2.90 2rcvG1 LYS 21 H 0.05 0.17 0.17 -0.55 8.42 8.26 2rcvG1 LYS 21 HA 0.12 0.41 0.40 -0.75 4.32 4.50 2rcvG1 LYS 21 HB2 0.06 0.04 0.10 -0.04 1.87 2.03 2rcvG1 LYS 21 HB3 0.04 -0.04 0.12 -0.04 1.79 1.88 2rcvG1 LYS 21 HG2 0.03 -0.00 -0.31 -0.04 1.46 1.13 2rcvG1 LYS 21 HG3 0.11 -0.07 -0.20 -0.04 1.46 1.26 2rcvG1 LYS 21 HD2 0.05 0.01 -0.02 -0.04 1.69 1.68 2rcvG1 LYS 21 HD3 0.02 0.02 -0.03 -0.04 1.68 1.65 2rcvG1 LYS 21 HE2 0.02 0.05 -0.02 -0.04 2.99 2.99 2rcvG1 LYS 21 HE3 -0.01 0.01 -0.06 -0.04 2.99 2.90 2rcvG1 GLU 22 H 0.04 0.09 -0.12 -0.55 8.60 8.07 2rcvG1 GLU 22 HA 0.01 0.09 0.37 -0.75 4.29 4.01 2rcvG1 GLU 22 HB2 0.01 0.04 0.08 -0.04 2.09 2.18 2rcvG1 GLU 22 HB3 0.03 -0.04 0.04 -0.04 1.99 1.99 2rcvG1 GLU 22 HG2 0.03 -0.00 -0.24 -0.04 2.34 2.09 2rcvG1 GLU 22 HG3 0.01 0.01 0.02 -0.04 2.34 2.33 2rcvG1 THR 23 H 0.09 0.07 -0.28 -0.55 8.28 7.62 2rcvG1 THR 23 HA 0.13 0.02 0.38 -0.75 4.39 4.17 2rcvG1 THR 23 HB 0.18 0.11 0.07 -0.04 4.32 4.63 2rcvG1 THR 23 HG23 0.21 0.09 -0.11 -0.04 1.22 1.37 2rcvG1 MET 24 H 0.20 0.53 -0.16 -0.55 8.47 8.49 2rcvG1 MET 24 HA 0.36 0.02 0.37 -0.75 4.52 4.51 2rcvG1 MET 24 HB2 0.27 0.13 0.20 -0.04 2.15 2.71 2rcvG1 MET 24 HB3 0.26 -0.06 0.05 -0.04 2.03 2.23 2rcvG1 MET 24 HG2 0.23 0.11 -0.08 -0.04 2.63 2.85 2rcvG1 MET 24 HG3 0.18 0.07 -0.02 -0.04 2.56 2.76 2rcvG1 MET 24 HE3 0.19 0.01 -0.04 -0.04 2.10 2.21 2rcvG1 THR 25 H 0.09 0.58 -0.12 -0.55 8.28 8.28 2rcvG1 THR 25 HA -0.27 0.01 0.44 -0.75 4.39 3.81 2rcvG1 THR 25 HB -0.29 -0.04 0.05 -0.04 4.32 4.00 2rcvG1 THR 25 HG23 -0.36 0.09 0.05 -0.04 1.22 0.97 2rcvG1 ILE 26 H 0.07 0.59 -0.02 -0.55 8.25 8.35 2rcvG1 ILE 26 HA -0.01 0.02 0.42 -0.75 4.18 3.86 2rcvG1 ILE 26 HB 0.11 0.08 0.14 -0.04 1.89 2.19 2rcvG1 ILE 26 HG12 -0.02 -0.02 0.02 -0.04 1.49 1.42 2rcvG1 ILE 26 HG13 0.01 0.11 0.09 -0.04 1.21 1.39 2rcvG1 ILE 26 HG23 -0.02 -0.02 -0.07 -0.04 0.93 0.78 2rcvG1 ILE 26 HD13 0.02 -0.02 -0.04 -0.04 0.88 0.80 2rcvG1 HIS 27 H 0.33 0.87 -0.01 -0.55 8.41 9.05 2rcvG1 HIS 27 HA 0.32 -0.09 0.37 -0.75 4.63 4.48 2rcvG1 HIS 27 HB2 0.35 0.20 0.10 -0.04 3.26 3.87 2rcvG1 HIS 27 HB3 0.58 0.06 0.06 -0.04 3.20 3.86 2rcvG1 HIS 27 HD2 0.05 -0.11 0.10 -0.04 6.97 6.96 2rcvG1 HIS 27 HE1 0.05 0.01 -0.02 -0.04 7.75 7.75 2rcvG1 HIS 28 H 0.31 0.54 -0.21 -0.55 8.41 8.52 2rcvG1 HIS 28 HA 0.31 0.06 0.63 -0.75 4.63 4.87 2rcvG1 HIS 28 HB2 -0.47 0.03 0.11 -0.04 3.26 2.88 2rcvG1 HIS 28 HB3 0.10 0.03 0.20 -0.04 3.20 3.48 2rcvG1 HIS 28 HD2 -0.15 -0.03 -0.01 -0.04 6.97 6.74 2rcvG1 HIS 28 HE1 -0.09 -0.05 -0.02 -0.04 7.75 7.54 2rcvG1 THR 29 H 0.08 0.58 0.14 -0.55 8.28 8.53 2rcvG1 THR 29 HA -0.20 0.09 0.44 -0.75 4.39 3.96 2rcvG1 THR 29 HB -0.08 -0.03 0.13 -0.04 4.32 4.29 2rcvG1 THR 29 HG23 -0.01 0.01 0.11 -0.04 1.22 1.28 2rcvG1 LYS 30 H -0.03 0.41 -0.26 -0.55 8.42 7.98 2rcvG1 LYS 30 HA -0.15 0.20 0.99 -0.75 4.32 4.61 2rcvG1 LYS 30 HB2 -0.27 0.11 0.21 -0.04 1.87 1.88 2rcvG1 LYS 30 HB3 -0.30 -0.04 0.02 -0.04 1.79 1.44 2rcvG1 LYS 30 HG2 -0.10 -0.03 -0.11 -0.04 1.46 1.18 2rcvG1 LYS 30 HG3 -0.13 -0.05 -0.00 -0.04 1.46 1.24 2rcvG1 LYS 30 HD2 -0.12 -0.02 -0.00 -0.04 1.69 1.50 2rcvG1 LYS 30 HD3 -0.11 0.18 -0.09 -0.04 1.68 1.61 2rcvG1 LYS 30 HE2 -0.08 -0.01 -0.10 -0.04 2.99 2.76 2rcvG1 LYS 30 HE3 -0.08 -0.04 -0.04 -0.04 2.99 2.79 2rcvG1 HIS 31 H -0.14 0.42 0.12 -0.55 8.41 8.26 2rcvG1 HIS 31 HA -0.34 0.02 0.37 -0.75 4.63 3.92 2rcvG1 HIS 31 HB2 -0.01 0.24 0.28 -0.04 3.26 3.73 2rcvG1 HIS 31 HB3 -0.38 -0.02 0.02 -0.04 3.20 2.77 2rcvG1 HIS 31 HD2 -0.16 0.02 -0.21 -0.04 6.97 6.57 2rcvG1 HIS 31 HE1 -0.05 -0.01 -0.03 -0.04 7.75 7.62 2rcvG1 HIS 32 H 0.20 0.64 0.13 -0.55 8.41 8.84 2rcvG1 HIS 32 HA 0.03 -0.00 0.42 -0.75 4.63 4.32 2rcvG1 HIS 32 HB2 0.34 0.04 0.20 -0.04 3.26 3.80 2rcvG1 HIS 32 HB3 0.18 0.22 0.22 -0.04 3.20 3.78 2rcvG1 HIS 32 HD2 0.27 -0.13 0.06 -0.04 6.97 7.12 2rcvG1 HIS 32 HE1 0.57 0.03 -0.10 -0.04 7.75 8.21 2rcvG1 ASN 33 H -0.05 0.32 -0.37 -0.55 8.53 7.88 2rcvG1 ASN 33 HA -0.14 -0.01 0.33 -0.75 4.76 4.18 2rcvG1 ASN 33 HB2 -0.17 0.05 0.04 -0.04 2.88 2.76 2rcvG1 ASN 33 HB3 -0.12 0.14 -0.10 -0.04 2.79 2.66 2rcvG1 ASN 33 HD21 -0.07 -0.05 -0.02 -0.04 7.03 6.84 2rcvG1 ASN 33 HD22 -0.09 0.04 -0.11 -0.04 7.74 7.54 2rcvG1 THR 34 H -0.16 0.57 -0.33 -0.55 8.28 7.81 2rcvG1 THR 34 HA -0.08 -0.02 0.42 -0.75 4.39 3.95 2rcvG1 THR 34 HB -0.33 0.16 0.16 -0.04 4.32 4.27 2rcvG1 THR 34 HG23 -0.09 -0.04 -0.09 -0.04 1.22 0.96 2rcvG1 TYR 35 H -0.18 0.47 -0.15 -0.55 8.29 7.88 2rcvG1 TYR 35 HA 0.03 -0.03 0.46 -0.75 4.56 4.27 2rcvG1 TYR 35 HB2 0.14 0.16 0.09 -0.04 3.06 3.41 2rcvG1 TYR 35 HB3 0.08 0.07 0.10 -0.04 2.98 3.19 2rcvG1 TYR 35 HD2 -0.07 -0.01 -0.05 -0.04 7.15 6.98 2rcvG1 TYR 35 HE2 -0.17 -0.05 -0.07 -0.04 6.85 6.52 2rcvG1 VAL 36 H 0.08 0.50 -0.17 -0.55 8.24 8.10 2rcvG1 VAL 36 HA -0.11 0.00 0.35 -0.75 4.13 3.62 2rcvG1 VAL 36 HB -0.10 0.13 0.09 -0.04 2.12 2.20 2rcvG1 VAL 36 HG13 -0.11 -0.05 -0.30 -0.04 0.97 0.46 2rcvG1 VAL 36 HG23 -0.37 0.04 -0.11 -0.04 0.95 0.46 2rcvG1 THR 37 H -0.02 0.61 -0.07 -0.55 8.28 8.25 2rcvG1 THR 37 HA 0.00 0.04 0.39 -0.75 4.39 4.07 2rcvG1 THR 37 HB -0.02 0.07 0.17 -0.04 4.32 4.49 2rcvG1 THR 37 HG23 -0.01 -0.02 -0.09 -0.04 1.22 1.06 2rcvG1 ASN 38 H 0.04 0.64 -0.10 -0.55 8.53 8.57 2rcvG1 ASN 38 HA 0.04 0.02 0.48 -0.75 4.76 4.55 2rcvG1 ASN 38 HB2 0.11 0.09 0.13 -0.04 2.88 3.17 2rcvG1 ASN 38 HB3 0.07 -0.07 0.05 -0.04 2.79 2.80 2rcvG1 ASN 38 HD21 0.03 -0.05 -0.02 -0.04 7.03 6.95 2rcvG1 ASN 38 HD22 0.09 -0.04 -0.03 -0.04 7.74 7.73 2rcvG1 LEU 39 H 0.07 0.59 -0.25 -0.55 8.37 8.23 2rcvG1 LEU 39 HA 0.06 -0.02 0.38 -0.75 4.35 4.01 2rcvG1 LEU 39 HB2 0.03 0.04 -0.07 -0.04 1.64 1.59 2rcvG1 LEU 39 HB3 0.03 0.14 0.16 -0.04 1.64 1.92 2rcvG1 LEU 39 HG 0.08 0.00 -0.26 -0.04 1.64 1.42 2rcvG1 LEU 39 HD13 -0.02 -0.03 -0.03 -0.04 0.93 0.81 2rcvG1 LEU 39 HD23 -0.39 0.00 -0.04 -0.04 0.89 0.42 2rcvG1 ASN 40 H 0.08 0.65 -0.07 -0.55 8.53 8.64 2rcvG1 ASN 40 HA 0.15 -0.00 0.42 -0.75 4.76 4.58 2rcvG1 ASN 40 HB2 0.05 0.12 0.17 -0.04 2.88 3.17 2rcvG1 ASN 40 HB3 0.04 -0.04 0.02 -0.04 2.79 2.77 2rcvG1 ASN 40 HD21 0.06 0.45 0.05 -0.04 7.03 7.54 2rcvG1 ASN 40 HD22 0.03 -0.10 -0.05 -0.04 7.74 7.58 2rcvG1 LYS 41 H 0.05 0.41 -0.27 -0.55 8.42 8.05 2rcvG1 LYS 41 HA 0.03 0.03 0.46 -0.75 4.32 4.08 2rcvG1 LYS 41 HB2 0.03 0.07 0.10 -0.04 1.87 2.03 2rcvG1 LYS 41 HB3 0.03 -0.06 0.08 -0.04 1.79 1.79 2rcvG1 LYS 41 HG2 0.02 -0.05 0.02 -0.04 1.46 1.40 2rcvG1 LYS 41 HG3 0.02 0.30 0.09 -0.04 1.46 1.83 2rcvG1 LYS 41 HD2 0.02 -0.02 -0.04 -0.04 1.69 1.60 2rcvG1 LYS 41 HD3 0.01 -0.05 0.00 -0.04 1.68 1.61 2rcvG1 LYS 41 HE2 0.00 -0.02 -0.01 -0.04 2.99 2.92 2rcvG1 LYS 41 HE3 0.00 0.02 -0.05 -0.04 2.99 2.93 2rcvG1 ALA 42 H 0.06 0.33 -0.49 -0.55 8.40 7.75 2rcvG1 ALA 42 HA 0.04 0.06 0.64 -0.75 4.34 4.33 2rcvG1 ALA 42 HB3 0.05 0.01 0.08 -0.04 1.41 1.51 2rcvG1 VAL 43 H 0.08 0.48 0.03 -0.55 8.24 8.28 2rcvG1 VAL 43 HA 0.06 0.08 0.58 -0.75 4.13 4.09 2rcvG1 VAL 43 HB 0.09 -0.12 0.08 -0.04 2.12 2.13 2rcvG1 VAL 43 HG13 0.14 0.02 -0.06 -0.04 0.97 1.03 2rcvG1 VAL 43 HG23 0.16 0.05 -0.07 -0.04 0.95 1.05 2rcvG1 GLU 44 H 0.04 0.20 -0.53 -0.55 8.60 7.77 2rcvG1 GLU 44 HA 0.02 -0.02 0.41 -0.75 4.29 3.94 2rcvG1 GLU 44 HB2 0.02 0.24 0.15 -0.04 2.09 2.46 2rcvG1 GLU 44 HB3 0.02 0.05 0.04 -0.04 1.99 2.06 2rcvG1 GLU 44 HG2 0.01 -0.04 -0.13 -0.04 2.34 2.13 2rcvG1 GLU 44 HG3 0.01 -0.03 0.05 -0.04 2.34 2.32 2rcvG1 GLY 45 H 0.01 0.13 0.14 -0.55 8.43 8.16 2rcvG1 GLY 45 HA2 0.01 -0.04 0.35 -0.51 4.01 3.82 2rcvG1 GLY 45 HA3 0.01 0.15 0.61 -0.51 4.01 4.27 2rcvG1 ASN 46 H 0.02 0.65 -0.40 -0.55 8.53 8.25 2rcvG1 ASN 46 HA 0.01 0.07 0.85 -0.75 4.76 4.94 2rcvG1 ASN 46 HB2 0.02 0.10 -0.01 -0.04 2.88 2.95 2rcvG1 ASN 46 HB3 0.03 0.09 0.18 -0.04 2.79 3.05 2rcvG1 ASN 46 HD21 0.02 0.02 0.05 -0.04 7.03 7.08 2rcvG1 ASN 46 HD22 0.02 0.07 0.02 -0.04 7.74 7.82 2rcvG1 THR 47 H 0.01 0.17 0.16 -0.55 8.28 8.07 2rcvG1 THR 47 HA -0.00 0.17 0.54 -0.75 4.39 4.35 2rcvG1 THR 47 HB 0.00 -0.05 0.12 -0.04 4.32 4.36 2rcvG1 THR 47 HG23 -0.00 0.02 -0.08 -0.04 1.22 1.11 2rcvG1 ALA 48 H 0.01 0.08 0.07 -0.55 8.40 8.02 2rcvG1 ALA 48 HA 0.01 0.08 0.35 -0.75 4.34 4.03 2rcvG1 ALA 48 HB3 0.01 0.02 0.07 -0.04 1.41 1.47 2rcvG1 LEU 49 H 0.03 0.02 -0.36 -0.55 8.37 7.51 2rcvG1 LEU 49 HA 0.05 0.12 0.49 -0.75 4.35 4.25 2rcvG1 LEU 49 HB2 0.05 0.05 0.03 -0.04 1.64 1.73 2rcvG1 LEU 49 HB3 0.08 0.03 -0.06 -0.04 1.64 1.66 2rcvG1 LEU 49 HG 0.03 -0.10 -0.01 -0.04 1.64 1.52 2rcvG1 LEU 49 HD13 0.04 0.01 -0.01 -0.04 0.93 0.92 2rcvG1 LEU 49 HD23 0.03 0.04 -0.13 -0.04 0.89 0.79 2rcvG1 ALA 50 H 0.03 0.27 -0.14 -0.55 8.40 8.01 2rcvG1 ALA 50 HA -0.01 0.02 0.35 -0.75 4.34 3.94 2rcvG1 ALA 50 HB3 -0.04 0.02 0.11 -0.04 1.41 1.46 2rcvG1 ASN 51 H 0.00 0.34 -0.40 -0.55 8.53 7.93 2rcvG1 ASN 51 HA -0.04 0.05 0.43 -0.75 4.76 4.45 2rcvG1 ASN 51 HB2 0.00 0.10 0.01 -0.04 2.88 2.96 2rcvG1 ASN 51 HB3 0.00 -0.08 -0.01 -0.04 2.79 2.66 2rcvG1 ASN 51 HD21 -0.01 -0.10 -0.06 -0.04 7.03 6.82 2rcvG1 ASN 51 HD22 -0.00 0.03 -0.13 -0.04 7.74 7.59 2rcvG1 LYS 52 H 0.05 0.33 -0.37 -0.55 8.42 7.88 2rcvG1 LYS 52 HA 0.05 -0.03 0.54 -0.75 4.32 4.12 2rcvG1 LYS 52 HB2 0.09 0.17 0.08 -0.04 1.87 2.18 2rcvG1 LYS 52 HB3 0.06 -0.13 -0.03 -0.04 1.79 1.64 2rcvG1 LYS 52 HG2 0.03 -0.08 -0.01 -0.04 1.46 1.35 2rcvG1 LYS 52 HG3 0.04 0.30 0.12 -0.04 1.46 1.87 2rcvG1 LYS 52 HD2 0.04 -0.02 -0.07 -0.04 1.69 1.60 2rcvG1 LYS 52 HD3 0.02 -0.04 -0.21 -0.04 1.68 1.42 2rcvG1 LYS 52 HE2 0.01 -0.05 -0.05 -0.04 2.99 2.86 2rcvG1 LYS 52 HE3 0.02 0.02 -0.11 -0.04 2.99 2.88 2rcvG1 SER 53 H 0.06 0.03 0.16 -0.55 8.46 8.17 2rcvG1 SER 53 HA 0.20 0.19 0.46 -0.75 4.49 4.59 2rcvG1 SER 53 HB2 0.07 -0.01 0.15 -0.04 3.95 4.11 2rcvG1 SER 53 HB3 0.06 0.13 0.14 -0.04 3.93 4.22 2rcvG1 VAL 54 H 0.13 0.19 0.15 -0.55 8.24 8.16 2rcvG1 VAL 54 HA -0.12 0.15 0.33 -0.75 4.13 3.74 2rcvG1 VAL 54 HB -0.24 0.07 0.11 -0.04 2.12 2.02 2rcvG1 VAL 54 HG13 -0.22 0.01 -0.03 -0.04 0.97 0.69 2rcvG1 VAL 54 HG23 -0.20 -0.02 0.00 -0.04 0.95 0.69 2rcvG1 GLU 55 H -0.03 0.08 -0.21 -0.55 8.60 7.89 2rcvG1 GLU 55 HA -0.10 0.09 0.34 -0.75 4.29 3.87 2rcvG1 GLU 55 HB2 -0.03 -0.05 0.03 -0.04 2.09 2.00 2rcvG1 GLU 55 HB3 -0.06 0.08 -0.05 -0.04 1.99 1.91 2rcvG1 GLU 55 HG2 -0.06 0.08 -0.01 -0.04 2.34 2.32 2rcvG1 GLU 55 HG3 -0.10 0.02 -0.00 -0.04 2.34 2.22 2rcvG1 GLU 56 H -0.00 0.06 -0.27 -0.55 8.60 7.84 2rcvG1 GLU 56 HA -0.02 0.09 0.40 -0.75 4.29 4.00 2rcvG1 GLU 56 HB2 0.03 0.05 0.07 -0.04 2.09 2.20 2rcvG1 GLU 56 HB3 0.01 0.04 -0.01 -0.04 1.99 2.00 2rcvG1 GLU 56 HG2 -0.00 0.06 0.01 -0.04 2.34 2.37 2rcvG1 GLU 56 HG3 -0.00 -0.09 0.01 -0.04 2.34 2.22 2rcvG1 LEU 57 H 0.01 0.50 -0.32 -0.55 8.37 8.01 2rcvG1 LEU 57 HA 0.02 0.04 0.29 -0.75 4.35 3.94 2rcvG1 LEU 57 HB2 0.08 0.15 -0.06 -0.04 1.64 1.77 2rcvG1 LEU 57 HB3 -0.03 0.07 0.08 -0.04 1.64 1.72 2rcvG1 LEU 57 HG -0.00 -0.04 -0.28 -0.04 1.64 1.27 2rcvG1 LEU 57 HD13 0.06 0.01 -0.05 -0.04 0.93 0.91 2rcvG1 LEU 57 HD23 0.02 0.00 -0.09 -0.04 0.89 0.79 2rcvG1 VAL 58 H -0.06 0.54 -0.19 -0.55 8.24 7.99 2rcvG1 VAL 58 HA -0.05 0.05 0.35 -0.75 4.13 3.73 2rcvG1 VAL 58 HB -0.10 -0.09 -0.00 -0.04 2.12 1.89 2rcvG1 VAL 58 HG13 -0.09 0.04 -0.22 -0.04 0.97 0.66 2rcvG1 VAL 58 HG23 -0.12 0.05 -0.07 -0.04 0.95 0.77 2rcvG1 ALA 59 H -0.05 0.30 -0.54 -0.55 8.40 7.57 2rcvG1 ALA 59 HA -0.07 0.02 0.07 -0.75 4.34 3.60 2rcvG1 ALA 59 HB3 -0.05 0.04 0.07 -0.04 1.41 1.43 2rcvG1 ASP 60 H -0.02 0.38 -0.49 -0.55 8.40 7.72 2rcvG1 ASP 60 HA -0.02 0.17 0.89 -0.75 4.63 4.92 2rcvG1 ASP 60 HB2 -0.01 0.06 -0.13 -0.04 2.71 2.59 2rcvG1 ASP 60 HB3 -0.01 0.07 0.13 -0.04 2.70 2.85 2rcvG1 LEU 61 H -0.02 0.31 -0.06 -0.55 8.37 8.05 2rcvG1 LEU 61 HA -0.01 0.14 0.41 -0.75 4.35 4.15 2rcvG1 LEU 61 HB2 -0.01 0.01 0.06 -0.04 1.64 1.66 2rcvG1 LEU 61 HB3 -0.00 -0.03 0.09 -0.04 1.64 1.66 2rcvG1 LEU 61 HG -0.03 0.23 0.05 -0.04 1.64 1.85 2rcvG1 LEU 61 HD13 -0.02 -0.02 0.05 -0.04 0.93 0.91 2rcvG1 LEU 61 HD23 -0.02 0.01 -0.06 -0.04 0.89 0.78 2rcvG1 ASP 62 H -0.01 0.08 -0.41 -0.55 8.40 7.51 2rcvG1 ASP 62 HA 0.00 0.12 0.51 -0.75 4.63 4.50 2rcvG1 ASP 62 HB2 -0.00 0.02 -0.00 -0.04 2.71 2.68 2rcvG1 ASP 62 HB3 -0.00 0.00 0.04 -0.04 2.70 2.71 2rcvG1 SER 63 H 0.00 0.38 -0.27 -0.55 8.46 8.03 2rcvG1 SER 63 HA 0.00 0.09 0.54 -0.75 4.49 4.36 2rcvG1 SER 63 HB2 0.01 -0.06 0.11 -0.04 3.95 3.96 2rcvG1 SER 63 HB3 0.00 -0.05 0.04 -0.04 3.93 3.88 2rcvG1 VAL 64 H 0.01 0.26 -0.67 -0.55 8.24 7.29 2rcvG1 VAL 64 HA 0.02 0.14 0.77 -0.75 4.13 4.31 2rcvG1 VAL 64 HB 0.01 0.12 0.07 -0.04 2.12 2.28 2rcvG1 VAL 64 HG13 0.02 -0.00 -0.18 -0.04 0.97 0.77 2rcvG1 VAL 64 HG23 0.01 -0.00 -0.09 -0.04 0.95 0.83 2rcvG1 PRO 65 HA 0.01 0.05 0.42 -0.51 4.44 4.41 2rcvG1 PRO 65 HB2 0.02 -0.06 0.07 -0.04 2.28 2.27 2rcvG1 PRO 65 HB3 0.01 0.01 0.10 -0.04 2.02 2.11 2rcvG1 PRO 65 HG2 0.02 0.06 0.08 -0.04 2.03 2.14 2rcvG1 PRO 65 HG3 0.01 0.07 0.08 -0.04 2.03 2.15 2rcvG1 PRO 65 HD2 0.02 0.08 0.15 -0.04 3.68 3.90 2rcvG1 PRO 65 HD3 0.02 0.28 0.25 -0.04 3.65 4.15 2rcvG1 GLU 66 H 0.01 0.18 0.21 -0.55 8.60 8.45 2rcvG1 GLU 66 HA 0.01 0.12 0.44 -0.75 4.29 4.11 2rcvG1 GLU 66 HB2 0.01 -0.02 0.12 -0.04 2.09 2.16 2rcvG1 GLU 66 HB3 0.01 0.01 0.09 -0.04 1.99 2.07 2rcvG1 GLU 66 HG2 0.01 0.08 0.11 -0.04 2.34 2.50 2rcvG1 GLU 66 HG3 0.01 0.00 0.15 -0.04 2.34 2.46 2rcvG1 ASN 67 H 0.01 0.08 -0.24 -0.55 8.53 7.84 2rcvG1 ASN 67 HA 0.02 0.08 0.39 -0.75 4.76 4.50 2rcvG1 ASN 67 HB2 0.02 0.05 0.08 -0.04 2.88 2.98 2rcvG1 ASN 67 HB3 0.01 -0.02 0.09 -0.04 2.79 2.83 2rcvG1 ASN 67 HD21 0.02 0.06 -0.06 -0.04 7.03 7.01 2rcvG1 ASN 67 HD22 0.02 0.02 -0.11 -0.04 7.74 7.63 2rcvG1 ILE 68 H 0.02 0.40 -0.36 -0.55 8.25 7.75 2rcvG1 ILE 68 HA 0.03 0.18 0.96 -0.75 4.18 4.60 2rcvG1 ILE 68 HB 0.03 -0.07 0.12 -0.04 1.89 1.93 2rcvG1 ILE 68 HG12 0.02 -0.11 -0.04 -0.04 1.49 1.32 2rcvG1 ILE 68 HG13 0.02 0.08 -0.28 -0.04 1.21 0.99 2rcvG1 ILE 68 HG23 0.03 0.05 -0.08 -0.04 0.93 0.88 2rcvG1 ILE 68 HD13 0.03 0.02 -0.07 -0.04 0.88 0.83 2rcvG1 ARG 69 H 0.02 0.29 -0.11 -0.55 8.46 8.10 2rcvG1 ARG 69 HA 0.02 0.07 0.32 -0.75 4.34 4.00 2rcvG1 ARG 69 HB2 0.01 0.13 -0.02 -0.04 1.90 1.99 2rcvG1 ARG 69 HB3 0.02 -0.02 0.12 -0.04 1.80 1.87 2rcvG1 ARG 69 HG2 0.01 -0.10 -0.14 -0.04 1.67 1.41 2rcvG1 ARG 69 HG3 0.01 0.08 0.06 -0.04 1.67 1.78 2rcvG1 ARG 69 HD2 0.01 -0.08 0.00 -0.04 3.22 3.11 2rcvG1 ARG 69 HD3 0.01 -0.04 -0.04 -0.04 3.22 3.10 2rcvG1 THR 70 H 0.02 0.21 -0.19 -0.55 8.28 7.77 2rcvG1 THR 70 HA 0.03 0.07 0.44 -0.75 4.39 4.18 2rcvG1 THR 70 HB 0.03 0.03 0.05 -0.04 4.32 4.39 2rcvG1 THR 70 HG23 0.05 0.00 -0.11 -0.04 1.22 1.12 2rcvG1 ALA 71 H 0.03 0.15 -0.24 -0.55 8.40 7.79 2rcvG1 ALA 71 HA 0.05 0.00 0.36 -0.75 4.34 4.00 2rcvG1 ALA 71 HB3 0.04 0.07 0.09 -0.04 1.41 1.57 2rcvG1 VAL 72 H 0.03 0.59 -0.19 -0.55 8.24 8.12 2rcvG1 VAL 72 HA 0.02 0.02 0.43 -0.75 4.13 3.84 2rcvG1 VAL 72 HB 0.01 0.10 0.07 -0.04 2.12 2.26 2rcvG1 VAL 72 HG13 -0.00 -0.00 -0.18 -0.04 0.97 0.75 2rcvG1 VAL 72 HG23 0.03 0.04 -0.06 -0.04 0.95 0.92 2rcvG1 ARG 73 H 0.01 0.61 -0.11 -0.55 8.46 8.42 2rcvG1 ARG 73 HA -0.01 0.02 0.40 -0.75 4.34 4.00 2rcvG1 ARG 73 HB2 0.01 0.08 0.15 -0.04 1.90 2.10 2rcvG1 ARG 73 HB3 0.03 0.05 0.25 -0.04 1.80 2.09 2rcvG1 ARG 73 HG2 0.03 -0.04 -0.27 -0.04 1.67 1.35 2rcvG1 ARG 73 HG3 0.01 -0.02 0.01 -0.04 1.67 1.63 2rcvG1 ARG 73 HD2 0.02 0.02 -0.01 -0.04 3.22 3.21 2rcvG1 ARG 73 HD3 0.03 -0.03 -0.00 -0.04 3.22 3.18 2rcvG1 ASN 74 H 0.04 0.68 -0.02 -0.55 8.53 8.68 2rcvG1 ASN 74 HA 0.03 0.01 0.42 -0.75 4.76 4.47 2rcvG1 ASN 74 HB2 0.08 0.08 0.11 -0.04 2.88 3.11 2rcvG1 ASN 74 HB3 0.12 -0.05 -0.01 -0.04 2.79 2.81 2rcvG1 ASN 74 HD21 0.08 -0.03 -0.02 -0.04 7.03 7.02 2rcvG1 ASN 74 HD22 0.10 0.00 -0.05 -0.04 7.74 7.75 2rcvG1 ASN 75 H 0.03 0.67 -0.02 -0.55 8.53 8.67 2rcvG1 ASN 75 HA -0.01 0.03 0.67 -0.75 4.76 4.70 2rcvG1 ASN 75 HB2 0.06 0.21 0.07 -0.04 2.88 3.18 2rcvG1 ASN 75 HB3 0.11 0.13 0.08 -0.04 2.79 3.07 2rcvG1 ASN 75 HD21 0.10 -0.07 -0.01 -0.04 7.03 7.01 2rcvG1 ASN 75 HD22 0.08 0.15 0.01 -0.04 7.74 7.93 2rcvG1 GLY 76 H -0.02 0.56 -0.02 -0.55 8.43 8.41 2rcvG1 GLY 76 HA2 -0.06 0.00 0.51 -0.51 4.01 3.95 2rcvG1 GLY 76 HA3 -0.07 0.16 0.34 -0.51 4.01 3.93 2rcvG1 GLY 77 H -0.08 0.51 -0.18 -0.55 8.43 8.14 2rcvG1 GLY 77 HA2 -0.15 -0.07 0.44 -0.51 4.01 3.71 2rcvG1 GLY 77 HA3 -0.11 0.38 0.36 -0.51 4.01 4.13 2rcvG1 GLY 78 H -0.25 0.34 -0.38 -0.55 8.43 7.60 2rcvG1 GLY 78 HA2 -0.35 -0.02 0.38 -0.51 4.01 3.51 2rcvG1 GLY 78 HA3 -1.08 0.06 0.33 -0.51 4.01 2.81 2rcvG1 HIS 79 H 0.03 0.55 -0.29 -0.55 8.41 8.16 2rcvG1 HIS 79 HA 0.18 0.01 0.43 -0.75 4.63 4.50 2rcvG1 HIS 79 HB2 0.11 0.03 -0.01 -0.04 3.26 3.35 2rcvG1 HIS 79 HB3 -0.06 0.09 0.15 -0.04 3.20 3.33 2rcvG1 HIS 79 HD2 -0.30 -0.01 -0.01 -0.04 6.97 6.60 2rcvG1 HIS 79 HE1 0.20 0.11 0.08 -0.04 7.75 8.10 2rcvG1 ALA 80 H -0.13 0.69 -0.08 -0.55 8.40 8.34 2rcvG1 ALA 80 HA -0.27 -0.02 0.39 -0.75 4.34 3.68 2rcvG1 ALA 80 HB3 -0.19 0.00 -0.01 -0.04 1.41 1.17 2rcvG1 ASN 81 H -0.27 0.74 -0.17 -0.55 8.53 8.28 2rcvG1 ASN 81 HA -0.40 0.01 0.37 -0.75 4.76 3.98 2rcvG1 ASN 81 HB2 -0.62 0.09 0.09 -0.04 2.88 2.40 2rcvG1 ASN 81 HB3 -2.18 -0.10 -0.07 -0.04 2.79 0.40 2rcvG1 ASN 81 HD21 -0.28 0.14 -0.43 -0.04 7.03 6.42 2rcvG1 ASN 81 HD22 -0.55 -0.11 -0.15 -0.04 7.74 6.89 2rcvG1 HIS 82 H -0.18 0.56 -0.11 -0.55 8.41 8.13 2rcvG1 HIS 82 HA -0.38 0.01 0.53 -0.75 4.63 4.04 2rcvG1 HIS 82 HB2 -0.99 0.14 0.15 -0.04 3.26 2.52 2rcvG1 HIS 82 HB3 -0.70 -0.05 0.02 -0.04 3.20 2.43 2rcvG1 HIS 82 HD2 -0.57 -0.02 -0.01 -0.04 6.97 6.32 2rcvG1 HIS 82 HE1 0.04 -0.04 -0.01 -0.04 7.75 7.69 2rcvG1 LYS 83 H -0.10 0.57 -0.13 -0.55 8.42 8.21 2rcvG1 LYS 83 HA 0.41 0.02 0.40 -0.75 4.32 4.40 2rcvG1 LYS 83 HB2 0.04 0.10 0.17 -0.04 1.87 2.14 2rcvG1 LYS 83 HB3 -0.09 0.05 0.14 -0.04 1.79 1.85 2rcvG1 LYS 83 HG2 0.08 -0.01 -0.10 -0.04 1.46 1.38 2rcvG1 LYS 83 HG3 0.22 -0.01 0.09 -0.04 1.46 1.72 2rcvG1 LYS 83 HD2 -0.09 0.02 0.03 -0.04 1.69 1.61 2rcvG1 LYS 83 HD3 -0.10 -0.06 0.00 -0.04 1.68 1.48 2rcvG1 LYS 83 HE2 0.06 -0.00 -0.00 -0.04 2.99 3.01 2rcvG1 LYS 83 HE3 0.13 0.02 0.03 -0.04 2.99 3.13 2rcvG1 LEU 84 H -0.09 0.41 -0.35 -0.55 8.37 7.80 2rcvG1 LEU 84 HA 0.04 0.04 0.42 -0.75 4.35 4.10 2rcvG1 LEU 84 HB2 -0.02 -0.00 0.05 -0.04 1.64 1.63 2rcvG1 LEU 84 HB3 -0.02 0.13 0.09 -0.04 1.64 1.80 2rcvG1 LEU 84 HG 0.15 -0.03 -0.39 -0.04 1.64 1.32 2rcvG1 LEU 84 HD13 0.07 -0.00 -0.07 -0.04 0.93 0.88 2rcvG1 LEU 84 HD23 0.17 -0.02 -0.22 -0.04 0.89 0.78 2rcvG1 PHE 85 H -0.02 0.47 -0.10 -0.55 8.34 8.14 2rcvG1 PHE 85 HA 0.01 -0.00 0.36 -0.75 4.62 4.24 2rcvG1 PHE 85 HB2 -0.04 0.12 0.13 -0.04 3.15 3.32 2rcvG1 PHE 85 HB3 -0.73 0.06 0.17 -0.04 3.06 2.51 2rcvG1 PHE 85 HD2 -0.46 0.07 -0.01 -0.04 7.28 6.84 2rcvG1 PHE 85 HE2 -0.02 0.03 0.06 -0.04 7.38 7.41 2rcvG1 PHE 85 HZ 0.02 0.04 0.03 -0.04 7.32 7.37 2rcvG1 TRP 86 H -0.26 0.56 -0.17 -0.55 7.97 7.56 2rcvG1 TRP 86 HA 0.02 -0.02 0.38 -0.75 4.62 4.25 2rcvG1 TRP 86 HB2 0.06 0.11 0.05 -0.04 3.23 3.41 2rcvG1 TRP 86 HB3 -0.06 -0.08 0.06 -0.04 3.23 3.11 2rcvG1 TRP 86 HD1 0.30 0.02 -0.05 -0.04 7.22 7.45 2rcvG1 TRP 86 HE1 1.11 -0.06 -0.10 -0.04 10.20 11.12 2rcvG1 TRP 86 HE3 0.10 0.02 -0.06 -0.04 7.59 7.61 2rcvG1 TRP 86 HZ2 0.19 0.02 -0.14 -0.04 7.44 7.47 2rcvG1 TRP 86 HZ3 0.31 -0.02 -0.06 -0.04 7.13 7.32 2rcvG1 TRP 86 HH2 -0.34 -0.08 -0.13 -0.04 7.19 6.60 2rcvG1 THR 87 H 0.18 0.35 -0.29 -0.55 8.28 7.98 2rcvG1 THR 87 HA 0.14 0.06 0.50 -0.75 4.39 4.34 2rcvG1 THR 87 HB 0.08 -0.10 0.16 -0.04 4.32 4.41 2rcvG1 THR 87 HG23 0.12 0.05 0.09 -0.04 1.22 1.44 2rcvG1 LEU 88 H 0.05 0.41 -0.37 -0.55 8.37 7.91 2rcvG1 LEU 88 HA -0.03 0.06 0.77 -0.75 4.35 4.39 2rcvG1 LEU 88 HB2 0.01 0.15 0.11 -0.04 1.64 1.87 2rcvG1 LEU 88 HB3 -0.05 -0.15 0.18 -0.04 1.64 1.58 2rcvG1 LEU 88 HG 0.09 0.29 -0.10 -0.04 1.64 1.88 2rcvG1 LEU 88 HD13 0.21 -0.04 -0.07 -0.04 0.93 0.99 2rcvG1 LEU 88 HD23 0.03 -0.01 -0.07 -0.04 0.89 0.80 2rcvG1 LEU 89 H 0.05 0.35 -0.16 -0.55 8.37 8.06 2rcvG1 LEU 89 HA -0.17 0.33 0.95 -0.75 4.35 4.70 2rcvG1 LEU 89 HB2 -0.00 0.02 0.04 -0.04 1.64 1.66 2rcvG1 LEU 89 HB3 -0.17 -0.05 0.06 -0.04 1.64 1.44 2rcvG1 LEU 89 HG -0.33 0.24 0.02 -0.04 1.64 1.52 2rcvG1 LEU 89 HD13 -0.32 -0.04 -0.05 -0.04 0.93 0.48 2rcvG1 LEU 89 HD23 -0.14 -0.00 -0.14 -0.04 0.89 0.57 2rcvG1 SER 90 H -0.18 0.55 0.29 -0.55 8.46 8.57 2rcvG1 SER 90 HA -0.19 0.13 0.49 -0.75 4.49 4.17 2rcvG1 SER 90 HB2 0.00 0.20 -0.15 -0.04 3.95 3.97 2rcvG1 SER 90 HB3 -0.05 -0.04 -0.14 -0.04 3.93 3.65 2rcvG1 PRO 91 HA -0.05 0.21 0.57 -0.51 4.44 4.65 2rcvG1 PRO 91 HB2 -0.01 0.01 0.14 -0.04 2.28 2.38 2rcvG1 PRO 91 HB3 -0.06 0.14 0.18 -0.04 2.02 2.24 2rcvG1 PRO 91 HG2 0.01 0.03 0.06 -0.04 2.03 2.08 2rcvG1 PRO 91 HG3 0.02 -0.04 0.11 -0.04 2.03 2.08 2rcvG1 PRO 91 HD2 -0.00 0.14 0.23 -0.04 3.68 4.00 2rcvG1 PRO 91 HD3 -0.27 0.09 0.07 -0.04 3.65 3.50 2rcvG1 ASN 92 H -0.02 -0.00 -0.36 -0.55 8.53 7.60 2rcvG1 ASN 92 HA 0.01 0.24 0.87 -0.75 4.76 5.12 2rcvG1 ASN 92 HB2 0.01 -0.05 0.02 -0.04 2.88 2.82 2rcvG1 ASN 92 HB3 0.01 -0.01 0.16 -0.04 2.79 2.91 2rcvG1 ASN 92 HD21 0.02 -0.04 -0.01 -0.04 7.03 6.96 2rcvG1 ASN 92 HD22 0.02 0.01 0.04 -0.04 7.74 7.76 2rcvG1 GLY 93 H -0.04 0.29 -0.42 -0.55 8.43 7.72 2rcvG1 GLY 93 HA2 -0.01 -0.07 0.37 -0.51 4.01 3.79 2rcvG1 GLY 93 HA3 -0.08 0.05 -0.05 -0.51 4.01 3.43 2rcvG1 GLY 94 H -0.01 0.64 0.13 -0.55 8.43 8.65 2rcvG1 GLY 94 HA2 0.12 0.25 0.39 -0.51 4.01 4.26 2rcvG1 GLY 94 HA3 0.05 0.16 0.81 -0.51 4.01 4.52 2rcvG1 GLY 95 H 0.11 0.08 0.17 -0.55 8.43 8.25 2rcvG1 GLY 95 HA2 0.03 -0.03 0.35 -0.51 4.01 3.85 2rcvG1 GLY 95 HA3 0.04 0.07 0.50 -0.51 4.01 4.11 2rcvG1 GLU 96 H -0.18 0.20 0.23 -0.55 8.60 8.29 2rcvG1 GLU 96 HA -1.22 0.20 0.81 -0.75 4.29 3.32 2rcvG1 GLU 96 HB2 -1.07 -0.00 0.11 -0.04 2.09 1.08 2rcvG1 GLU 96 HB3 -0.50 -0.00 -0.09 -0.04 1.99 1.36 2rcvG1 GLU 96 HG2 -0.21 -0.08 0.03 -0.04 2.34 2.03 2rcvG1 GLU 96 HG3 -0.33 0.12 -0.06 -0.04 2.34 2.03 2rcvG1 PRO 97 HA -0.42 0.05 0.43 -0.51 4.44 3.99 2rcvG1 PRO 97 HB2 -0.66 -0.04 -0.09 -0.04 2.28 1.45 2rcvG1 PRO 97 HB3 -0.51 0.01 0.02 -0.04 2.02 1.50 2rcvG1 PRO 97 HG2 -1.50 0.03 0.01 -0.04 2.03 0.53 2rcvG1 PRO 97 HG3 -3.17 0.07 0.02 -0.04 2.03 -1.09 2rcvG1 PRO 97 HD2 -2.06 0.04 0.18 -0.04 3.68 1.79 2rcvG1 PRO 97 HD3 -2.97 0.21 0.19 -0.04 3.65 1.04 2rcvG1 THR 98 H -0.17 0.18 0.19 -0.55 8.28 7.93 2rcvG1 THR 98 HA -0.18 0.22 0.74 -0.75 4.39 4.41 2rcvG1 THR 98 HB -0.08 -0.10 0.17 -0.04 4.32 4.27 2rcvG1 THR 98 HG23 -0.12 0.06 -0.18 -0.04 1.22 0.93 2rcvG1 GLY 99 H -0.07 0.19 0.14 -0.55 8.43 8.13 2rcvG1 GLY 99 HA2 -0.04 0.12 0.35 -0.51 4.01 3.93 2rcvG1 GLY 99 HA3 -0.03 0.05 0.41 -0.51 4.01 3.92 2rcvG1 ALA 100 H 0.00 0.20 0.21 -0.55 8.40 8.26 2rcvG1 ALA 100 HA -0.02 0.09 0.43 -0.75 4.34 4.08 2rcvG1 ALA 100 HB3 0.12 0.04 0.10 -0.04 1.41 1.63 2rcvG1 LEU 101 H -0.13 0.15 -0.00 -0.55 8.37 7.84 2rcvG1 LEU 101 HA -0.77 0.09 0.36 -0.75 4.35 3.27 2rcvG1 LEU 101 HB2 -0.23 0.05 0.12 -0.04 1.64 1.53 2rcvG1 LEU 101 HB3 -0.16 0.08 0.14 -0.04 1.64 1.66 2rcvG1 LEU 101 HG -0.25 -0.03 -0.30 -0.04 1.64 1.02 2rcvG1 LEU 101 HD13 -0.27 0.01 -0.04 -0.04 0.93 0.59 2rcvG1 LEU 101 HD23 0.17 0.01 -0.12 -0.04 0.89 0.91 2rcvG1 ALA 102 H -0.20 0.41 -0.49 -0.55 8.40 7.58 2rcvG1 ALA 102 HA -0.29 0.01 0.25 -0.75 4.34 3.56 2rcvG1 ALA 102 HB3 -0.22 0.03 -0.35 -0.04 1.41 0.83 2rcvG1 GLU 103 H -0.12 0.36 -0.35 -0.55 8.60 7.94 2rcvG1 GLU 103 HA -0.06 0.02 0.35 -0.75 4.29 3.85 2rcvG1 GLU 103 HB2 -0.05 -0.00 0.07 -0.04 2.09 2.06 2rcvG1 GLU 103 HB3 -0.05 0.15 0.18 -0.04 1.99 2.22 2rcvG1 GLU 103 HG2 -0.02 -0.01 -0.03 -0.04 2.34 2.24 2rcvG1 GLU 103 HG3 -0.02 0.02 -0.25 -0.04 2.34 2.05 2rcvG1 GLU 104 H -0.12 0.55 -0.06 -0.55 8.60 8.42 2rcvG1 GLU 104 HA -0.02 0.07 0.43 -0.75 4.29 4.01 2rcvG1 GLU 104 HB2 -0.13 0.05 0.04 -0.04 2.09 2.00 2rcvG1 GLU 104 HB3 0.02 -0.03 0.05 -0.04 1.99 1.98 2rcvG1 GLU 104 HG2 0.17 0.03 0.00 -0.04 2.34 2.50 2rcvG1 GLU 104 HG3 0.03 -0.04 0.03 -0.04 2.34 2.31 2rcvG1 ILE 105 H -0.11 0.52 -0.25 -0.55 8.25 7.87 2rcvG1 ILE 105 HA 0.27 0.02 0.39 -0.75 4.18 4.11 2rcvG1 ILE 105 HB -0.15 0.12 0.09 -0.04 1.89 1.91 2rcvG1 ILE 105 HG12 -0.21 -0.04 -0.02 -0.04 1.49 1.18 2rcvG1 ILE 105 HG13 -0.19 0.21 0.04 -0.04 1.21 1.23 2rcvG1 ILE 105 HG23 -0.04 -0.04 -0.26 -0.04 0.93 0.56 2rcvG1 ILE 105 HD13 -0.48 -0.03 -0.11 -0.04 0.88 0.22 2rcvG1 ASN 106 H -0.02 0.56 -0.24 -0.55 8.53 8.28 2rcvG1 ASN 106 HA 0.06 -0.11 0.01 -0.75 4.76 3.98 2rcvG1 ASN 106 HB2 -0.02 0.13 0.04 -0.04 2.88 2.98 2rcvG1 ASN 106 HB3 -0.00 0.07 -0.03 -0.04 2.79 2.79 2rcvG1 ASN 106 HD21 -0.09 -0.10 -0.07 -0.04 7.03 6.72 2rcvG1 ASN 106 HD22 -0.06 0.01 -0.10 -0.04 7.74 7.54 2rcvG1 SER 107 H -0.01 0.32 -0.38 -0.55 8.46 7.85 2rcvG1 SER 107 HA -0.01 0.07 0.51 -0.75 4.49 4.30 2rcvG1 SER 107 HB2 -0.02 0.00 0.08 -0.04 3.95 3.98 2rcvG1 SER 107 HB3 -0.02 0.03 0.18 -0.04 3.93 4.07 2rcvG1 VAL 108 H -0.06 0.57 -0.03 -0.55 8.24 8.16 2rcvG1 VAL 108 HA -0.17 0.14 0.70 -0.75 4.13 4.04 2rcvG1 VAL 108 HB -0.53 -0.03 0.11 -0.04 2.12 1.63 2rcvG1 VAL 108 HG13 -0.71 0.03 -0.08 -0.04 0.97 0.17 2rcvG1 VAL 108 HG23 -0.11 -0.01 0.06 -0.04 0.95 0.85 2rcvG1 PHE 109 H 0.08 0.54 0.05 -0.55 8.34 8.45 2rcvG1 PHE 109 HA 0.07 0.24 0.90 -0.75 4.62 5.07 2rcvG1 PHE 109 HB2 0.14 0.05 0.04 -0.04 3.15 3.34 2rcvG1 PHE 109 HB3 0.14 -0.06 0.03 -0.04 3.06 3.13 2rcvG1 PHE 109 HD2 0.12 0.07 0.05 -0.04 7.28 7.48 2rcvG1 PHE 109 HE2 0.15 -0.04 -0.07 -0.04 7.38 7.37 2rcvG1 PHE 109 HZ 0.26 -0.06 -0.28 -0.04 7.32 7.20 2rcvG1 GLY 110 H 0.08 0.27 -0.37 -0.55 8.43 7.86 2rcvG1 GLY 110 HA2 0.04 0.11 0.37 -0.51 4.01 4.02 2rcvG1 GLY 110 HA3 0.06 0.10 0.75 -0.51 4.01 4.41 2rcvG1 SER 111 H 0.14 0.35 -0.36 -0.55 8.46 8.04 2rcvG1 SER 111 HA 0.05 0.13 0.41 -0.75 4.49 4.32 2rcvG1 SER 111 HB2 0.02 -0.06 0.16 -0.04 3.95 4.03 2rcvG1 SER 111 HB3 0.02 0.29 -0.13 -0.04 3.93 4.07 2rcvG1 PHE 112 H 0.10 0.23 0.12 -0.55 8.34 8.24 2rcvG1 PHE 112 HA -0.11 0.12 0.41 -0.75 4.62 4.29 2rcvG1 PHE 112 HB2 -0.25 0.06 0.12 -0.04 3.15 3.03 2rcvG1 PHE 112 HB3 -0.19 -0.02 0.14 -0.04 3.06 2.95 2rcvG1 PHE 112 HD2 -0.33 -0.03 0.00 -0.04 7.28 6.89 2rcvG1 PHE 112 HE2 -0.37 0.07 0.00 -0.04 7.38 7.04 2rcvG1 PHE 112 HZ -0.01 0.11 0.04 -0.04 7.32 7.41 2rcvG1 ASP 113 H -0.05 0.11 -0.06 -0.55 8.40 7.86 2rcvG1 ASP 113 HA -0.47 0.12 0.41 -0.75 4.63 3.93 2rcvG1 ASP 113 HB2 -0.08 -0.03 0.07 -0.04 2.71 2.62 2rcvG1 ASP 113 HB3 -0.13 0.07 -0.05 -0.04 2.70 2.54 2rcvG1 LYS 114 H -0.05 0.04 -0.38 -0.55 8.42 7.48 2rcvG1 LYS 114 HA -0.05 0.06 0.42 -0.75 4.32 3.99 2rcvG1 LYS 114 HB2 0.07 -0.01 0.05 -0.04 1.87 1.94 2rcvG1 LYS 114 HB3 0.07 0.13 0.05 -0.04 1.79 2.01 2rcvG1 LYS 114 HG2 0.00 -0.01 0.01 -0.04 1.46 1.42 2rcvG1 LYS 114 HG3 0.00 -0.13 -0.04 -0.04 1.46 1.26 2rcvG1 LYS 114 HD2 0.04 -0.06 0.02 -0.04 1.69 1.66 2rcvG1 LYS 114 HD3 0.05 0.13 0.08 -0.04 1.68 1.90 2rcvG1 LYS 114 HE2 0.01 -0.04 -0.04 -0.04 2.99 2.88 2rcvG1 LYS 114 HE3 0.02 0.04 -0.01 -0.04 2.99 3.00 2rcvG1 PHE 115 H 0.04 0.43 -0.22 -0.55 8.34 8.04 2rcvG1 PHE 115 HA -0.28 0.04 0.41 -0.75 4.62 4.04 2rcvG1 PHE 115 HB2 -0.36 0.00 0.08 -0.04 3.15 2.83 2rcvG1 PHE 115 HB3 -0.26 0.09 0.22 -0.04 3.06 3.07 2rcvG1 PHE 115 HD2 -1.06 0.04 -0.04 -0.04 7.28 6.18 2rcvG1 PHE 115 HE2 0.17 0.02 -0.09 -0.04 7.38 7.43 2rcvG1 PHE 115 HZ 0.08 0.01 -0.12 -0.04 7.32 7.25 2rcvG1 LYS 116 H -0.52 0.58 -0.13 -0.55 8.42 7.80 2rcvG1 LYS 116 HA -0.89 0.00 0.40 -0.75 4.32 3.09 2rcvG1 LYS 116 HB2 -0.79 0.10 0.17 -0.04 1.87 1.31 2rcvG1 LYS 116 HB3 -0.99 -0.02 0.00 -0.04 1.79 0.75 2rcvG1 LYS 116 HG2 -2.46 -0.03 0.02 -0.04 1.46 -1.05 2rcvG1 LYS 116 HG3 -1.77 0.09 0.03 -0.04 1.46 -0.23 2rcvG1 LYS 116 HD2 -2.34 0.01 0.01 -0.04 1.69 -0.67 2rcvG1 LYS 116 HD3 -1.39 0.04 0.01 -0.04 1.68 0.30 2rcvG1 LYS 116 HE2 -1.27 -0.08 -0.11 -0.04 2.99 1.49 2rcvG1 LYS 116 HE3 -0.77 0.01 0.01 -0.04 2.99 2.20 2rcvG1 GLU 117 H -0.25 0.44 -0.26 -0.55 8.60 7.99 2rcvG1 GLU 117 HA -0.06 0.01 0.40 -0.75 4.29 3.89 2rcvG1 GLU 117 HB2 -0.07 0.16 0.17 -0.04 2.09 2.31 2rcvG1 GLU 117 HB3 -0.04 -0.04 0.00 -0.04 1.99 1.87 2rcvG1 GLU 117 HG2 -0.07 -0.04 0.02 -0.04 2.34 2.21 2rcvG1 GLU 117 HG3 -0.14 0.16 0.07 -0.04 2.34 2.39 2rcvG1 GLN 118 H -0.12 0.52 -0.12 -0.55 8.47 8.20 2rcvG1 GLN 118 HA -0.00 0.03 0.48 -0.75 4.36 4.12 2rcvG1 GLN 118 HB2 -0.08 0.09 0.18 -0.04 2.15 2.31 2rcvG1 GLN 118 HB3 0.08 -0.04 0.02 -0.04 2.02 2.04 2rcvG1 GLN 118 HG2 0.07 -0.05 0.04 -0.04 2.40 2.42 2rcvG1 GLN 118 HG3 0.05 0.21 0.10 -0.04 2.39 2.70 2rcvG1 GLN 118 HE21 0.38 0.03 0.06 -0.04 6.97 7.40 2rcvG1 GLN 118 HE22 0.21 0.02 -0.05 -0.04 7.69 7.83 2rcvG1 PHE 119 H -0.21 0.67 -0.06 -0.55 8.34 8.18 2rcvG1 PHE 119 HA -0.08 0.02 0.40 -0.75 4.62 4.22 2rcvG1 PHE 119 HB2 -0.74 0.04 0.05 -0.04 3.15 2.46 2rcvG1 PHE 119 HB3 -0.00 0.08 0.09 -0.04 3.06 3.19 2rcvG1 PHE 119 HD2 0.13 0.04 -0.23 -0.04 7.28 7.18 2rcvG1 PHE 119 HE2 -0.06 -0.03 -0.33 -0.04 7.38 6.92 2rcvG1 PHE 119 HZ -0.07 -0.01 -0.28 -0.04 7.32 6.91 2rcvG1 ALA 120 H 0.17 0.70 -0.15 -0.55 8.40 8.58 2rcvG1 ALA 120 HA 0.08 -0.01 0.37 -0.75 4.34 4.03 2rcvG1 ALA 120 HB3 0.16 0.02 0.06 -0.04 1.41 1.62 2rcvG1 ALA 121 H -0.01 0.44 -0.35 -0.55 8.40 7.93 2rcvG1 ALA 121 HA -0.03 0.00 0.43 -0.75 4.34 3.99 2rcvG1 ALA 121 HB3 -0.01 0.04 0.10 -0.04 1.41 1.50 2rcvG1 ALA 122 H -0.10 0.46 -0.21 -0.55 8.40 7.99 2rcvG1 ALA 122 HA -0.07 0.03 0.38 -0.75 4.34 3.94 2rcvG1 ALA 122 HB3 -0.15 0.02 0.01 -0.04 1.41 1.25 2rcvG1 ALA 123 H -0.28 0.51 -0.18 -0.55 8.40 7.91 2rcvG1 ALA 123 HA -0.28 0.01 0.37 -0.75 4.34 3.69 2rcvG1 ALA 123 HB3 -0.33 0.00 0.04 -0.04 1.41 1.08 2rcvG1 ALA 124 H -0.11 0.59 -0.13 -0.55 8.40 8.21 2rcvG1 ALA 124 HA -0.10 0.03 0.40 -0.75 4.34 3.92 2rcvG1 ALA 124 HB3 -0.05 -0.02 0.06 -0.04 1.41 1.35 2rcvG1 GLY 125 H -0.06 0.36 -0.45 -0.55 8.43 7.72 2rcvG1 GLY 125 HA2 0.00 -0.01 0.39 -0.51 4.01 3.89 2rcvG1 GLY 125 HA3 -0.02 0.02 0.26 -0.51 4.01 3.77 2rcvG1 ARG 126 H -0.06 0.31 -0.51 -0.55 8.46 7.64 2rcvG1 ARG 126 HA 0.01 -0.04 0.44 -0.75 4.34 4.00 2rcvG1 ARG 126 HB2 -0.06 -0.02 -0.06 -0.04 1.90 1.73 2rcvG1 ARG 126 HB3 -0.10 0.16 0.02 -0.04 1.80 1.84 2rcvG1 ARG 126 HG2 -0.09 -0.16 -0.32 -0.04 1.67 1.07 2rcvG1 ARG 126 HG3 -0.12 0.07 -0.57 -0.04 1.67 1.02 2rcvG1 ARG 126 HD2 -0.05 0.06 -0.37 -0.04 3.22 2.82 2rcvG1 ARG 126 HD3 -0.01 0.09 -0.36 -0.04 3.22 2.89 2rcvG1 PHE 127 H 0.14 0.13 0.16 -0.55 8.34 8.22 2rcvG1 PHE 127 HA -0.07 0.08 0.55 -0.75 4.62 4.43 2rcvG1 PHE 127 HB2 -0.04 0.09 0.10 -0.04 3.15 3.25 2rcvG1 PHE 127 HB3 -0.05 -0.05 0.13 -0.04 3.06 3.06 2rcvG1 PHE 127 HD2 -0.05 0.03 -0.06 -0.04 7.28 7.16 2rcvG1 PHE 127 HE2 -0.04 -0.02 -0.01 -0.04 7.38 7.27 2rcvG1 PHE 127 HZ -0.03 -0.03 0.00 -0.04 7.32 7.22 2rcvG1 GLY 128 H -0.62 0.13 0.19 -0.55 8.43 7.58 2rcvG1 GLY 128 HA2 -0.48 -0.05 0.34 -0.51 4.01 3.32 2rcvG1 GLY 128 HA3 -0.32 0.10 0.74 -0.51 4.01 4.02 2rcvG1 SER 129 H -0.45 0.05 0.19 -0.55 8.46 7.71 2rcvG1 SER 129 HA -0.68 0.16 0.64 -0.75 4.49 3.85 2rcvG1 SER 129 HB2 -1.14 -0.05 0.13 -0.04 3.95 2.85 2rcvG1 SER 129 HB3 -3.05 -0.01 0.13 -0.04 3.93 0.96 2rcvG1 GLY 130 H -0.41 0.12 0.11 -0.55 8.43 7.70 2rcvG1 GLY 130 HA2 0.28 0.14 0.29 -0.51 4.01 4.22 2rcvG1 GLY 130 HA3 0.01 0.25 0.55 -0.51 4.01 4.31 2rcvG1 TRP 131 H 0.22 0.62 0.32 -0.55 7.97 8.58 2rcvG1 TRP 131 HA -0.38 0.14 1.03 -0.75 4.62 4.66 2rcvG1 TRP 131 HB2 -0.19 0.00 -0.04 -0.04 3.23 2.97 2rcvG1 TRP 131 HB3 -1.56 0.03 -0.08 -0.04 3.23 1.58 2rcvG1 TRP 131 HD1 0.19 0.18 -0.29 -0.04 7.22 7.26 2rcvG1 TRP 131 HE1 -0.19 -0.03 -0.08 -0.04 10.20 9.87 2rcvG1 TRP 131 HE3 -1.16 -0.01 -0.32 -0.04 7.59 6.07 2rcvG1 TRP 131 HZ2 -1.26 -0.01 -0.11 -0.04 7.44 6.01 2rcvG1 TRP 131 HZ3 -0.77 0.05 -0.22 -0.04 7.13 6.15 2rcvG1 TRP 131 HH2 -1.14 0.01 -0.19 -0.04 7.19 5.83 2rcvG1 ALA 132 H -0.48 0.50 0.36 -0.55 8.40 8.23 2rcvG1 ALA 132 HA -0.27 0.21 0.94 -0.75 4.34 4.47 2rcvG1 ALA 132 HB3 -0.71 0.00 0.04 -0.04 1.41 0.70 2rcvG1 TRP 133 H 0.13 0.88 0.40 -0.55 7.97 8.83 2rcvG1 TRP 133 HA 0.36 0.29 1.23 -0.75 4.62 5.74 2rcvG1 TRP 133 HB2 0.12 -0.07 -0.15 -0.04 3.23 3.09 2rcvG1 TRP 133 HB3 0.15 0.01 -0.06 -0.04 3.23 3.29 2rcvG1 TRP 133 HD1 0.07 -0.02 -0.43 -0.04 7.22 6.80 2rcvG1 TRP 133 HE1 0.05 0.07 -0.17 -0.04 10.20 10.11 2rcvG1 TRP 133 HE3 0.10 0.15 -0.08 -0.04 7.59 7.71 2rcvG1 TRP 133 HZ2 -0.76 0.13 -0.10 -0.04 7.44 6.67 2rcvG1 TRP 133 HZ3 -0.16 0.01 -0.16 -0.04 7.13 6.78 2rcvG1 TRP 133 HH2 -1.01 -0.00 -0.07 -0.04 7.19 6.07 2rcvG1 LEU 134 H 0.64 0.66 0.35 -0.55 8.37 9.47 2rcvG1 LEU 134 HA 0.51 0.20 0.81 -0.75 4.35 5.12 2rcvG1 LEU 134 HB2 0.65 0.01 -0.01 -0.04 1.64 2.25 2rcvG1 LEU 134 HB3 0.44 -0.07 0.17 -0.04 1.64 2.14 2rcvG1 LEU 134 HG 0.31 -0.01 -0.24 -0.04 1.64 1.66 2rcvG1 LEU 134 HD13 0.43 0.02 -0.06 -0.04 0.93 1.27 2rcvG1 LEU 134 HD23 0.14 -0.01 -0.10 -0.04 0.89 0.88 2rcvG1 VAL 135 H 0.30 0.70 0.29 -0.55 8.24 8.99 2rcvG1 VAL 135 HA 0.18 0.16 1.06 -0.75 4.13 4.78 2rcvG1 VAL 135 HB 0.02 0.02 -0.34 -0.04 2.12 1.78 2rcvG1 VAL 135 HG13 0.06 -0.04 -0.43 -0.04 0.97 0.52 2rcvG1 VAL 135 HG23 0.09 0.02 -0.38 -0.04 0.95 0.64 2rcvG1 VAL 136 H 0.07 0.59 0.26 -0.55 8.24 8.61 2rcvG1 VAL 136 HA 0.12 0.22 0.65 -0.75 4.13 4.36 2rcvG1 VAL 136 HB 0.02 -0.03 0.18 -0.04 2.12 2.25 2rcvG1 VAL 136 HG13 0.01 -0.03 -0.19 -0.04 0.97 0.72 2rcvG1 VAL 136 HG23 0.11 0.03 -0.12 -0.04 0.95 0.93 2rcvG1 ASN 137 H 0.06 0.91 0.21 -0.55 8.53 9.17 2rcvG1 ASN 137 HA 0.01 0.17 0.88 -0.75 4.76 5.07 2rcvG1 ASN 137 HB2 0.04 -0.04 -0.19 -0.04 2.88 2.65 2rcvG1 ASN 137 HB3 0.05 0.06 0.04 -0.04 2.79 2.89 2rcvG1 ASN 137 HD21 0.02 0.02 -0.08 -0.04 7.03 6.94 2rcvG1 ASN 137 HD22 0.03 -0.02 -0.10 -0.04 7.74 7.62 2rcvG1 ASN 138 H 0.00 0.26 0.11 -0.55 8.53 8.36 2rcvG1 ASN 138 HA -0.00 0.05 0.32 -0.75 4.76 4.38 2rcvG1 ASN 138 HB2 0.01 0.20 0.04 -0.04 2.88 3.09 2rcvG1 ASN 138 HB3 0.00 -0.01 0.19 -0.04 2.79 2.93 2rcvG1 ASN 138 HD21 0.01 0.02 -0.10 -0.04 7.03 6.92 2rcvG1 ASN 138 HD22 0.01 0.07 -0.23 -0.04 7.74 7.56 2rcvG1 GLY 139 H 0.01 0.01 -0.36 -0.55 8.43 7.54 2rcvG1 GLY 139 HA2 -0.01 0.01 0.20 -0.51 4.01 3.71 2rcvG1 GLY 139 HA3 0.00 0.13 0.50 -0.51 4.01 4.13 2rcvG1 LYS 140 H 0.04 0.22 -0.29 -0.55 8.42 7.84 2rcvG1 LYS 140 HA 0.07 0.12 0.83 -0.75 4.32 4.59 2rcvG1 LYS 140 HB2 0.03 0.10 -0.03 -0.04 1.87 1.93 2rcvG1 LYS 140 HB3 0.02 0.03 0.01 -0.04 1.79 1.81 2rcvG1 LYS 140 HG2 0.02 0.03 -0.03 -0.04 1.46 1.43 2rcvG1 LYS 140 HG3 0.02 0.06 -0.48 -0.04 1.46 1.01 2rcvG1 LYS 140 HD2 0.01 0.00 -0.05 -0.04 1.69 1.60 2rcvG1 LYS 140 HD3 -0.00 -0.01 -0.02 -0.04 1.68 1.60 2rcvG1 LYS 140 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.92 2rcvG1 LYS 140 HE3 0.01 0.03 -0.04 -0.04 2.99 2.95 2rcvG1 LEU 141 H 0.09 0.10 0.13 -0.55 8.37 8.15 2rcvG1 LEU 141 HA 0.20 0.35 0.69 -0.75 4.35 4.84 2rcvG1 LEU 141 HB2 0.13 -0.02 0.07 -0.04 1.64 1.77 2rcvG1 LEU 141 HB3 0.38 -0.01 -0.03 -0.04 1.64 1.95 2rcvG1 LEU 141 HG 0.23 -0.02 -0.02 -0.04 1.64 1.79 2rcvG1 LEU 141 HD13 0.06 -0.01 -0.14 -0.04 0.93 0.80 2rcvG1 LEU 141 HD23 0.30 0.01 -0.15 -0.04 0.89 1.02 2rcvG1 GLU 142 H 0.28 0.49 0.36 -0.55 8.60 9.19 2rcvG1 GLU 142 HA 0.28 0.09 0.62 -0.75 4.29 4.54 2rcvG1 GLU 142 HB2 0.15 -0.06 -0.12 -0.04 2.09 2.01 2rcvG1 GLU 142 HB3 0.16 0.05 -0.05 -0.04 1.99 2.11 2rcvG1 GLU 142 HG2 0.07 0.05 0.02 -0.04 2.34 2.44 2rcvG1 GLU 142 HG3 0.08 0.04 -0.73 -0.04 2.34 1.69 2rcvG1 ILE 143 H 0.36 0.18 0.16 -0.55 8.25 8.40 2rcvG1 ILE 143 HA 0.38 0.32 1.05 -0.75 4.18 5.17 2rcvG1 ILE 143 HB 0.28 -0.03 0.10 -0.04 1.89 2.20 2rcvG1 ILE 143 HG12 0.49 0.06 0.01 -0.04 1.49 2.01 2rcvG1 ILE 143 HG13 0.51 -0.10 -0.09 -0.04 1.21 1.49 2rcvG1 ILE 143 HG23 0.10 0.03 -0.10 -0.04 0.93 0.92 2rcvG1 ILE 143 HD13 -0.03 -0.01 -0.09 -0.04 0.88 0.70 2rcvG1 THR 144 H 0.28 0.54 0.32 -0.55 8.28 8.87 2rcvG1 THR 144 HA 0.13 0.17 0.68 -0.75 4.39 4.63 2rcvG1 THR 144 HB 0.15 0.02 0.05 -0.04 4.32 4.50 2rcvG1 THR 144 HG23 0.12 -0.01 -0.35 -0.04 1.22 0.94 2rcvG1 SER 145 H 0.15 0.29 0.18 -0.55 8.46 8.53 2rcvG1 SER 145 HA 0.17 0.24 0.96 -0.75 4.49 5.11 2rcvG1 SER 145 HB2 -0.01 -0.02 -0.13 -0.04 3.95 3.75 2rcvG1 SER 145 HB3 0.05 -0.05 0.01 -0.04 3.93 3.90 2rcvG1 THR 146 H 0.31 0.56 0.29 -0.55 8.28 8.88 2rcvG1 THR 146 HA 0.18 0.20 0.91 -0.75 4.39 4.92 2rcvG1 THR 146 HB 0.22 0.01 -0.11 -0.04 4.32 4.40 2rcvG1 THR 146 HG23 0.19 -0.04 -0.38 -0.04 1.22 0.94 2rcvG1 PRO 147 HA 0.07 0.31 0.82 -0.51 4.44 5.13 2rcvG1 PRO 147 HB2 0.04 -0.02 0.04 -0.04 2.28 2.30 2rcvG1 PRO 147 HB3 0.04 0.08 0.08 -0.04 2.02 2.18 2rcvG1 PRO 147 HG2 0.08 -0.06 0.06 -0.04 2.03 2.08 2rcvG1 PRO 147 HG3 0.06 0.05 0.06 -0.04 2.03 2.15 2rcvG1 PRO 147 HD2 0.11 0.06 0.19 -0.04 3.68 4.00 2rcvG1 PRO 147 HD3 0.09 0.19 0.11 -0.04 3.65 4.00 2rcvG1 ASN 148 H -0.03 0.57 -0.01 -0.55 8.53 8.51 2rcvG1 ASN 148 HA 0.18 -0.06 0.18 -0.75 4.76 4.30 2rcvG1 ASN 148 HB2 0.19 0.08 -0.10 -0.04 2.88 3.00 2rcvG1 ASN 148 HB3 0.34 -0.01 0.11 -0.04 2.79 3.19 2rcvG1 ASN 148 HD21 -0.00 0.02 -0.02 -0.04 7.03 6.99 2rcvG1 ASN 148 HD22 0.06 0.02 -0.10 -0.04 7.74 7.69 2rcvG1 GLN 149 H 0.31 0.08 0.11 -0.55 8.47 8.43 2rcvG1 GLN 149 HA 0.34 0.23 0.82 -0.75 4.36 4.99 2rcvG1 GLN 149 HB2 0.05 0.01 0.12 -0.04 2.15 2.28 2rcvG1 GLN 149 HB3 -0.10 -0.08 -0.08 -0.04 2.02 1.72 2rcvG1 GLN 149 HG2 0.21 -0.12 -0.14 -0.04 2.40 2.31 2rcvG1 GLN 149 HG3 -0.49 0.08 0.04 -0.04 2.39 1.98 2rcvG1 GLN 149 HE21 -0.43 -0.03 -0.06 -0.04 6.97 6.40 2rcvG1 GLN 149 HE22 -1.10 -0.06 -0.09 -0.04 7.69 6.40 2rcvG1 ASP 150 H 0.20 0.56 -0.10 -0.55 8.40 8.51 2rcvG1 ASP 150 HA 0.01 0.01 0.46 -0.75 4.63 4.37 2rcvG1 ASP 150 HB2 0.12 0.09 0.06 -0.04 2.71 2.94 2rcvG1 ASP 150 HB3 0.04 -0.01 -0.01 -0.04 2.70 2.68 2rcvG1 SER 151 H -0.09 0.14 0.18 -0.55 8.46 8.15 2rcvG1 SER 151 HA -0.35 0.30 0.91 -0.75 4.49 4.60 2rcvG1 SER 151 HB2 -0.29 0.14 -0.05 -0.04 3.95 3.71 2rcvG1 SER 151 HB3 -0.21 0.00 0.08 -0.04 3.93 3.77 2rcvG1 PRO 152 HA -0.22 0.09 0.33 -0.51 4.44 4.14 2rcvG1 PRO 152 HB2 -0.47 0.08 -0.22 -0.04 2.28 1.63 2rcvG1 PRO 152 HB3 -0.27 0.02 -0.11 -0.04 2.02 1.62 2rcvG1 PRO 152 HG2 -1.45 0.03 -0.15 -0.04 2.03 0.42 2rcvG1 PRO 152 HG3 -0.63 0.06 -0.18 -0.04 2.03 1.24 2rcvG1 PRO 152 HD2 -1.49 0.11 0.08 -0.04 3.68 2.35 2rcvG1 PRO 152 HD3 -1.19 0.24 0.07 -0.04 3.65 2.73 2rcvG1 LEU 153 H -0.34 0.05 -0.44 -0.55 8.37 7.09 2rcvG1 LEU 153 HA -0.15 0.36 0.47 -0.75 4.35 4.26 2rcvG1 LEU 153 HB2 -0.19 -0.05 -0.09 -0.04 1.64 1.27 2rcvG1 LEU 153 HB3 -0.13 0.04 -0.06 -0.04 1.64 1.46 2rcvG1 LEU 153 HG -0.28 -0.06 0.03 -0.04 1.64 1.30 2rcvG1 LEU 153 HD13 -0.17 0.01 -0.02 -0.04 0.93 0.72 2rcvG1 LEU 153 HD23 -0.12 0.08 0.04 -0.04 0.89 0.85 2rcvG1 SER 154 H -0.14 0.33 -0.32 -0.55 8.46 7.79 2rcvG1 SER 154 HA -0.06 0.27 0.56 -0.75 4.49 4.50 2rcvG1 SER 154 HB2 -0.07 0.03 0.07 -0.04 3.95 3.94 2rcvG1 SER 154 HB3 -0.04 -0.10 0.14 -0.04 3.93 3.89 2rcvG1 GLU 155 H -0.09 0.37 -0.48 -0.55 8.60 7.85 2rcvG1 GLU 155 HA -0.03 0.17 0.84 -0.75 4.29 4.51 2rcvG1 GLU 155 HB2 -0.06 0.06 0.06 -0.04 2.09 2.11 2rcvG1 GLU 155 HB3 -0.03 -0.03 0.14 -0.04 1.99 2.03 2rcvG1 GLU 155 HG2 -0.02 0.02 -0.05 -0.04 2.34 2.25 2rcvG1 GLU 155 HG3 -0.05 -0.04 -0.18 -0.04 2.34 2.03 2rcvG1 GLY 156 H -0.06 0.42 -0.22 -0.55 8.43 8.02 2rcvG1 GLY 156 HA2 -0.04 0.05 0.32 -0.51 4.01 3.82 2rcvG1 GLY 156 HA3 -0.03 0.05 0.53 -0.51 4.01 4.05 2rcvG1 LYS 157 H -0.09 0.40 -0.10 -0.55 8.42 8.08 2rcvG1 LYS 157 HA -0.04 0.21 0.89 -0.75 4.32 4.62 2rcvG1 LYS 157 HB2 -0.12 -0.08 -0.16 -0.04 1.87 1.47 2rcvG1 LYS 157 HB3 -0.04 -0.04 -0.18 -0.04 1.79 1.48 2rcvG1 LYS 157 HG2 -0.01 -0.01 -0.17 -0.04 1.46 1.23 2rcvG1 LYS 157 HG3 -0.04 0.08 -0.30 -0.04 1.46 1.15 2rcvG1 LYS 157 HD2 -0.05 -0.06 -0.12 -0.04 1.69 1.42 2rcvG1 LYS 157 HD3 0.01 -0.03 -0.20 -0.04 1.68 1.43 2rcvG1 LYS 157 HE2 0.01 0.00 -0.11 -0.04 2.99 2.86 2rcvG1 LYS 157 HE3 -0.01 0.06 -0.08 -0.04 2.99 2.92 2rcvG1 THR 158 H -0.03 0.54 0.23 -0.55 8.28 8.47 2rcvG1 THR 158 HA -0.10 0.23 0.92 -0.75 4.39 4.68 2rcvG1 THR 158 HB -0.01 -0.10 0.17 -0.04 4.32 4.34 2rcvG1 THR 158 HG23 -0.02 0.03 -0.17 -0.04 1.22 1.01 2rcvG1 PRO 159 HA 0.08 0.12 0.66 -0.51 4.44 4.79 2rcvG1 PRO 159 HB2 0.08 0.04 -0.11 -0.04 2.28 2.25 2rcvG1 PRO 159 HB3 -0.59 -0.02 -0.03 -0.04 2.02 1.35 2rcvG1 PRO 159 HG2 -0.14 0.06 0.05 -0.04 2.03 1.97 2rcvG1 PRO 159 HG3 -0.51 -0.01 -0.00 -0.04 2.03 1.47 2rcvG1 PRO 159 HD2 -0.16 0.11 0.19 -0.04 3.68 3.78 2rcvG1 PRO 159 HD3 -0.32 0.12 -0.00 -0.04 3.65 3.41 2rcvG1 ILE 160 H 0.23 0.54 0.43 -0.55 8.25 8.91 2rcvG1 ILE 160 HA 0.13 0.20 0.84 -0.75 4.18 4.60 2rcvG1 ILE 160 HB 0.19 0.00 0.05 -0.04 1.89 2.09 2rcvG1 ILE 160 HG12 0.24 0.06 -0.14 -0.04 1.49 1.61 2rcvG1 ILE 160 HG13 0.25 -0.00 -0.20 -0.04 1.21 1.22 2rcvG1 ILE 160 HG23 0.15 0.02 -0.34 -0.04 0.93 0.71 2rcvG1 ILE 160 HD13 0.28 -0.02 -0.16 -0.04 0.88 0.95 2rcvG1 LEU 161 H 0.34 0.26 0.29 -0.55 8.37 8.71 2rcvG1 LEU 161 HA 0.19 0.16 0.62 -0.75 4.35 4.56 2rcvG1 LEU 161 HB2 0.12 0.06 -0.11 -0.04 1.64 1.68 2rcvG1 LEU 161 HB3 0.31 -0.09 0.05 -0.04 1.64 1.87 2rcvG1 LEU 161 HG 0.15 0.01 -0.30 -0.04 1.64 1.46 2rcvG1 LEU 161 HD13 -0.06 -0.00 0.02 -0.04 0.93 0.84 2rcvG1 LEU 161 HD23 0.16 -0.01 -0.11 -0.04 0.89 0.88 2rcvG1 GLY 162 H 0.30 0.32 0.15 -0.55 8.43 8.66 2rcvG1 GLY 162 HA2 0.15 0.34 0.91 -0.51 4.01 4.89 2rcvG1 GLY 162 HA3 -0.05 -0.00 0.29 -0.51 4.01 3.73 2rcvG1 LEU 163 H -0.24 0.58 0.30 -0.55 8.37 8.47 2rcvG1 LEU 163 HA -0.40 0.16 0.89 -0.75 4.35 4.24 2rcvG1 LEU 163 HB2 -0.72 0.02 -0.08 -0.04 1.64 0.82 2rcvG1 LEU 163 HB3 -0.34 -0.05 0.10 -0.04 1.64 1.30 2rcvG1 LEU 163 HG -0.54 0.05 -0.40 -0.04 1.64 0.71 2rcvG1 LEU 163 HD13 -1.36 -0.02 0.01 -0.04 0.93 -0.48 2rcvG1 LEU 163 HD23 -0.69 -0.01 -0.08 -0.04 0.89 0.07 2rcvG1 ASP 164 H -1.22 0.18 0.10 -0.55 8.40 6.91 2rcvG1 ASP 164 HA -2.35 0.10 0.65 -0.75 4.63 2.28 2rcvG1 ASP 164 HB2 -2.36 0.04 0.09 -0.04 2.71 0.45 2rcvG1 ASP 164 HB3 -0.90 0.02 0.18 -0.04 2.70 1.96 2rcvG1 VAL 165 H -0.68 0.63 0.46 -0.55 8.24 8.09 2rcvG1 VAL 165 HA -0.08 0.16 0.76 -0.75 4.13 4.22 2rcvG1 VAL 165 HB -0.16 0.08 0.07 -0.04 2.12 2.07 2rcvG1 VAL 165 HG13 -0.33 0.01 -0.12 -0.04 0.97 0.50 2rcvG1 VAL 165 HG23 -0.19 0.04 -0.23 -0.04 0.95 0.53 2rcvG1 TRP 166 H -0.17 0.07 0.00 -0.55 7.97 7.32 2rcvG1 TRP 166 HA -0.35 0.05 0.59 -0.75 4.62 4.15 2rcvG1 TRP 166 HB2 -0.93 0.02 0.08 -0.04 3.23 2.35 2rcvG1 TRP 166 HB3 -0.98 -0.14 0.04 -0.04 3.23 2.11 2rcvG1 TRP 166 HD1 -0.57 0.20 0.18 -0.04 7.22 7.00 2rcvG1 TRP 166 HE1 0.17 0.59 -0.09 -0.04 10.20 10.83 2rcvG1 TRP 166 HE3 -0.10 -0.09 0.02 -0.04 7.59 7.38 2rcvG1 TRP 166 HZ2 0.14 -0.09 -0.20 -0.04 7.44 7.24 2rcvG1 TRP 166 HZ3 0.15 0.01 -0.01 -0.04 7.13 7.25 2rcvG1 TRP 166 HH2 0.17 0.02 -0.03 -0.04 7.19 7.31 2rcvG1 GLU 167 H -0.30 0.15 0.17 -0.55 8.60 8.07 2rcvG1 GLU 167 HA -1.06 0.20 0.33 -0.75 4.29 3.00 2rcvG1 GLU 167 HB2 -0.32 -0.03 0.11 -0.04 2.09 1.81 2rcvG1 GLU 167 HB3 -0.44 -0.02 0.04 -0.04 1.99 1.54 2rcvG1 GLU 167 HG2 -0.18 0.10 0.02 -0.04 2.34 2.24 2rcvG1 GLU 167 HG3 -0.25 0.04 0.09 -0.04 2.34 2.17 2rcvG1 HIS 168 H -0.31 0.09 -0.25 -0.55 8.41 7.40 2rcvG1 HIS 168 HA -0.17 0.03 0.34 -0.75 4.63 4.09 2rcvG1 HIS 168 HB2 -0.27 0.02 0.05 -0.04 3.26 3.02 2rcvG1 HIS 168 HB3 -0.17 0.01 0.06 -0.04 3.20 3.05 2rcvG1 HIS 168 HD2 -0.89 0.07 -0.44 -0.04 6.97 5.67 2rcvG1 HIS 168 HE1 -0.76 0.05 -0.03 -0.04 7.75 6.97 2rcvG1 ALA 169 H -0.43 0.38 -0.55 -0.55 8.40 7.25 2rcvG1 ALA 169 HA -0.19 0.05 0.44 -0.75 4.34 3.88 2rcvG1 ALA 169 HB3 -0.16 0.04 0.00 -0.04 1.41 1.25 2rcvG1 TYR 170 H -0.53 0.34 -0.25 -0.55 8.29 7.29 2rcvG1 TYR 170 HA -0.10 0.13 0.85 -0.75 4.56 4.69 2rcvG1 TYR 170 HB2 -0.32 -0.06 0.06 -0.04 3.06 2.70 2rcvG1 TYR 170 HB3 -1.83 0.11 -0.26 -0.04 2.98 0.96 2rcvG1 TYR 170 HD2 -0.37 -0.02 -0.32 -0.04 7.15 6.39 2rcvG1 TYR 170 HE2 -0.09 0.19 -0.22 -0.04 6.85 6.69 2rcvG1 TYR 171 H -0.24 0.54 0.18 -0.55 8.29 8.21 2rcvG1 TYR 171 HA -0.06 0.16 0.42 -0.75 4.56 4.33 2rcvG1 TYR 171 HB2 -0.32 0.18 0.08 -0.04 3.06 2.97 2rcvG1 TYR 171 HB3 -0.12 -0.02 -0.03 -0.04 2.98 2.77 2rcvG1 TYR 171 HD2 -0.16 0.06 -0.09 -0.04 7.15 6.91 2rcvG1 TYR 171 HE2 -0.02 0.04 -0.14 -0.04 6.85 6.69 2rcvG1 LEU 172 H 0.05 0.14 -0.15 -0.55 8.37 7.86 2rcvG1 LEU 172 HA 0.01 0.11 0.39 -0.75 4.35 4.11 2rcvG1 LEU 172 HB2 0.04 -0.05 0.03 -0.04 1.64 1.62 2rcvG1 LEU 172 HB3 0.01 0.01 0.00 -0.04 1.64 1.63 2rcvG1 LEU 172 HG 0.06 0.00 0.02 -0.04 1.64 1.68 2rcvG1 LEU 172 HD13 0.05 -0.01 -0.08 -0.04 0.93 0.85 2rcvG1 LEU 172 HD23 0.06 0.02 -0.03 -0.04 0.89 0.89 2rcvG1 ASN 173 H 0.00 0.09 -0.27 -0.55 8.53 7.81 2rcvG1 ASN 173 HA -0.16 0.21 0.88 -0.75 4.76 4.93 2rcvG1 ASN 173 HB2 -0.08 -0.20 0.02 -0.04 2.88 2.58 2rcvG1 ASN 173 HB3 -0.32 0.12 0.04 -0.04 2.79 2.59 2rcvG1 ASN 173 HD21 -0.39 0.06 -0.00 -0.04 7.03 6.65 2rcvG1 ASN 173 HD22 -1.34 0.07 -0.07 -0.04 7.74 6.36 2rcvG1 TYR 174 H 0.07 0.49 0.08 -0.55 8.29 8.38 2rcvG1 TYR 174 HA -0.02 0.22 1.00 -0.75 4.56 5.01 2rcvG1 TYR 174 HB2 0.13 0.12 -0.06 -0.04 3.06 3.21 2rcvG1 TYR 174 HB3 0.02 -0.01 -0.00 -0.04 2.98 2.95 2rcvG1 TYR 174 HD2 0.07 -0.02 0.01 -0.04 7.15 7.18 2rcvG1 TYR 174 HE2 0.17 0.05 0.00 -0.04 6.85 7.03 2rcvG1 GLN 175 H -0.23 0.34 0.05 -0.55 8.47 8.08 2rcvG1 GLN 175 HA -1.67 0.06 0.39 -0.75 4.36 2.39 2rcvG1 GLN 175 HB2 -0.19 0.10 -0.05 -0.04 2.15 1.97 2rcvG1 GLN 175 HB3 -0.38 -0.14 0.24 -0.04 2.02 1.70 2rcvG1 GLN 175 HG2 -0.18 -0.04 0.00 -0.04 2.40 2.14 2rcvG1 GLN 175 HG3 -0.43 0.11 0.05 -0.04 2.39 2.08 2rcvG1 GLN 175 HE21 -0.12 0.07 -0.24 -0.04 6.97 6.65 2rcvG1 GLN 175 HE22 -0.16 0.14 -0.10 -0.04 7.69 7.53 2rcvG1 ASN 176 H -0.13 0.12 0.20 -0.55 8.53 8.18 2rcvG1 ASN 176 HA 0.24 0.09 0.46 -0.75 4.76 4.79 2rcvG1 ASN 176 HB2 0.09 0.02 0.16 -0.04 2.88 3.10 2rcvG1 ASN 176 HB3 0.12 -0.02 0.14 -0.04 2.79 2.99 2rcvG1 ASN 176 HD21 0.02 0.00 -0.05 -0.04 7.03 6.97 2rcvG1 ASN 176 HD22 0.04 -0.00 -0.08 -0.04 7.74 7.66 2rcvG1 ARG 177 H 0.04 0.54 -0.28 -0.55 8.46 8.21 2rcvG1 ARG 177 HA 0.01 0.08 0.51 -0.75 4.34 4.18 2rcvG1 ARG 177 HB2 0.12 0.23 0.24 -0.04 1.90 2.44 2rcvG1 ARG 177 HB3 0.06 -0.15 0.19 -0.04 1.80 1.86 2rcvG1 ARG 177 HG2 0.03 -0.02 0.02 -0.04 1.67 1.66 2rcvG1 ARG 177 HG3 0.02 -0.05 0.06 -0.04 1.67 1.66 2rcvG1 ARG 177 HD2 0.06 -0.04 0.05 -0.04 3.22 3.26 2rcvG1 ARG 177 HD3 0.03 -0.02 0.02 -0.04 3.22 3.21 2rcvG1 ARG 178 H -0.07 0.56 0.09 -0.55 8.46 8.49 2rcvG1 ARG 178 HA -0.66 0.02 0.26 -0.75 4.34 3.20 2rcvG1 ARG 178 HB2 -0.27 0.05 0.08 -0.04 1.90 1.73 2rcvG1 ARG 178 HB3 -0.17 0.05 0.08 -0.04 1.80 1.73 2rcvG1 ARG 178 HG2 -0.31 -0.13 -0.12 -0.04 1.67 1.07 2rcvG1 ARG 178 HG3 -0.86 -0.02 -0.01 -0.04 1.67 0.74 2rcvG1 ARG 178 HD2 -0.15 0.01 -0.04 -0.04 3.22 3.00 2rcvG1 ARG 178 HD3 -0.18 0.03 -0.10 -0.04 3.22 2.92 2rcvG1 PRO 179 HA -0.10 0.08 0.46 -0.51 4.44 4.38 2rcvG1 PRO 179 HB2 -0.02 0.00 -0.00 -0.04 2.28 2.22 2rcvG1 PRO 179 HB3 -0.03 0.05 0.05 -0.04 2.02 2.05 2rcvG1 PRO 179 HG2 -0.02 0.05 0.04 -0.04 2.03 2.06 2rcvG1 PRO 179 HG3 -0.05 0.09 0.04 -0.04 2.03 2.06 2rcvG1 PRO 179 HD2 -0.04 0.03 -0.04 -0.04 3.68 3.59 2rcvG1 PRO 179 HD3 -0.08 0.15 0.15 -0.04 3.65 3.83 2rcvG1 ASP 180 H -0.05 0.28 -0.27 -0.55 8.40 7.81 2rcvG1 ASP 180 HA -0.00 0.03 0.44 -0.75 4.63 4.34 2rcvG1 ASP 180 HB2 0.12 0.20 0.14 -0.04 2.71 3.13 2rcvG1 ASP 180 HB3 0.21 0.01 0.03 -0.04 2.70 2.90 2rcvG1 TYR 181 H -0.33 0.32 -0.21 -0.55 8.29 7.53 2rcvG1 TYR 181 HA -1.19 0.08 0.48 -0.75 4.56 3.17 2rcvG1 TYR 181 HB2 -0.95 -0.03 0.05 -0.04 3.06 2.09 2rcvG1 TYR 181 HB3 -0.70 0.14 0.15 -0.04 2.98 2.54 2rcvG1 TYR 181 HD2 -0.39 0.03 -0.02 -0.04 7.15 6.73 2rcvG1 TYR 181 HE2 -0.07 0.10 -0.03 -0.04 6.85 6.81 2rcvG1 ILE 182 H -0.29 0.55 -0.06 -0.55 8.25 7.91 2rcvG1 ILE 182 HA -0.61 0.01 0.36 -0.75 4.18 3.18 2rcvG1 ILE 182 HB -0.14 0.09 0.14 -0.04 1.89 1.95 2rcvG1 ILE 182 HG12 -0.33 -0.04 -0.05 -0.04 1.49 1.03 2rcvG1 ILE 182 HG13 -0.27 0.11 0.03 -0.04 1.21 1.03 2rcvG1 ILE 182 HG23 -0.07 -0.02 -0.07 -0.04 0.93 0.73 2rcvG1 ILE 182 HD13 -0.16 0.00 -0.18 -0.04 0.88 0.50 2rcvG1 SER 183 H -0.11 0.50 -0.25 -0.55 8.46 8.05 2rcvG1 SER 183 HA 0.25 0.00 0.41 -0.75 4.49 4.40 2rcvG1 SER 183 HB2 0.03 0.12 0.15 -0.04 3.95 4.21 2rcvG1 SER 183 HB3 0.11 -0.06 0.00 -0.04 3.93 3.95 2rcvG1 ALA 184 H -0.09 0.49 -0.16 -0.55 8.40 8.09 2rcvG1 ALA 184 HA 0.09 -0.00 0.45 -0.75 4.34 4.12 2rcvG1 ALA 184 HB3 0.18 0.01 0.15 -0.04 1.41 1.71 2rcvG1 PHE 185 H -0.22 0.43 -0.38 -0.55 8.34 7.61 2rcvG1 PHE 185 HA -0.29 -0.01 0.34 -0.75 4.62 3.91 2rcvG1 PHE 185 HB2 -0.72 0.02 0.08 -0.04 3.15 2.49 2rcvG1 PHE 185 HB3 -0.90 0.33 0.16 -0.04 3.06 2.60 2rcvG1 PHE 185 HD2 -0.90 0.02 -0.04 -0.04 7.28 6.33 2rcvG1 PHE 185 HE2 -0.47 -0.01 -0.10 -0.04 7.38 6.77 2rcvG1 PHE 185 HZ -0.18 0.02 -0.08 -0.04 7.32 7.04 2rcvG1 TRP 186 H -0.35 0.38 -0.27 -0.55 7.97 7.18 2rcvG1 TRP 186 HA -0.33 -0.01 0.36 -0.75 4.62 3.88 2rcvG1 TRP 186 HB2 -0.03 0.13 0.07 -0.04 3.23 3.36 2rcvG1 TRP 186 HB3 0.05 -0.04 0.09 -0.04 3.23 3.29 2rcvG1 TRP 186 HD1 -0.02 0.08 0.13 -0.04 7.22 7.37 2rcvG1 TRP 186 HE1 -0.01 -0.04 -0.07 -0.04 10.20 10.04 2rcvG1 TRP 186 HE3 0.10 0.00 0.00 -0.04 7.59 7.66 2rcvG1 TRP 186 HZ2 0.06 0.03 0.00 -0.04 7.44 7.49 2rcvG1 TRP 186 HZ3 0.25 -0.03 -0.07 -0.04 7.13 7.24 2rcvG1 TRP 186 HH2 -0.69 -0.03 -0.08 -0.04 7.19 6.35 2rcvG1 ASN 187 H -0.11 0.45 -0.48 -0.55 8.53 7.85 2rcvG1 ASN 187 HA -0.05 0.00 0.54 -0.75 4.76 4.50 2rcvG1 ASN 187 HB2 -0.82 0.22 0.11 -0.04 2.88 2.34 2rcvG1 ASN 187 HB3 -0.63 -0.02 0.07 -0.04 2.79 2.17 2rcvG1 ASN 187 HD21 0.09 -0.06 0.02 -0.04 7.03 7.03 2rcvG1 ASN 187 HD22 -0.05 0.10 0.16 -0.04 7.74 7.91 2rcvG1 VAL 188 H -0.28 0.47 -0.16 -0.55 8.24 7.71 2rcvG1 VAL 188 HA -0.15 0.32 0.97 -0.75 4.13 4.52 2rcvG1 VAL 188 HB -0.14 -0.21 0.19 -0.04 2.12 1.92 2rcvG1 VAL 188 HG13 -0.04 0.01 -0.10 -0.04 0.97 0.80 2rcvG1 VAL 188 HG23 -0.11 0.02 -0.00 -0.04 0.95 0.82 2rcvG1 VAL 189 H -0.34 0.22 -0.09 -0.55 8.24 7.49 2rcvG1 VAL 189 HA -0.49 0.28 0.63 -0.75 4.13 3.81 2rcvG1 VAL 189 HB -0.49 0.03 0.11 -0.04 2.12 1.72 2rcvG1 VAL 189 HG13 -1.52 -0.04 -0.21 -0.04 0.97 -0.83 2rcvG1 VAL 189 HG23 -1.15 0.06 -0.03 -0.04 0.95 -0.21 2rcvG1 ASN 190 H -0.31 0.88 0.28 -0.55 8.53 8.82 2rcvG1 ASN 190 HA -0.10 0.09 0.69 -0.75 4.76 4.69 2rcvG1 ASN 190 HB2 -0.07 0.12 -0.27 -0.04 2.88 2.62 2rcvG1 ASN 190 HB3 -0.09 0.10 0.14 -0.04 2.79 2.90 2rcvG1 ASN 190 HD21 0.03 -0.06 0.00 -0.04 7.03 6.96 2rcvG1 ASN 190 HD22 0.03 0.25 -0.01 -0.04 7.74 7.97 2rcvG1 TRP 191 H 0.02 0.44 0.02 -0.55 7.97 7.90 2rcvG1 TRP 191 HA -0.02 0.06 0.39 -0.75 4.62 4.29 2rcvG1 TRP 191 HB2 -0.08 0.15 -0.05 -0.04 3.23 3.21 2rcvG1 TRP 191 HB3 -0.11 -0.14 -0.03 -0.04 3.23 2.91 2rcvG1 TRP 191 HD1 -0.07 0.41 -0.25 -0.04 7.22 7.27 2rcvG1 TRP 191 HE1 0.17 0.14 -0.12 -0.04 10.20 10.35 2rcvG1 TRP 191 HE3 -0.07 -0.11 0.00 -0.04 7.59 7.37 2rcvG1 TRP 191 HZ2 0.59 0.03 -0.04 -0.04 7.44 7.98 2rcvG1 TRP 191 HZ3 -0.07 -0.01 -0.08 -0.04 7.13 6.93 2rcvG1 TRP 191 HH2 0.29 -0.00 -0.07 -0.04 7.19 7.36 2rcvG1 ASP 192 H 0.09 0.17 -0.28 -0.55 8.40 7.83 2rcvG1 ASP 192 HA 0.09 0.05 0.50 -0.75 4.63 4.52 2rcvG1 ASP 192 HB2 0.05 0.04 0.04 -0.04 2.71 2.80 2rcvG1 ASP 192 HB3 0.05 0.03 0.00 -0.04 2.70 2.74 2rcvG1 GLU 193 H 0.03 0.27 -0.20 -0.55 8.60 8.15 2rcvG1 GLU 193 HA 0.05 0.05 0.51 -0.75 4.29 4.14 2rcvG1 GLU 193 HB2 0.02 -0.01 0.15 -0.04 2.09 2.21 2rcvG1 GLU 193 HB3 -0.01 0.17 0.21 -0.04 1.99 2.32 2rcvG1 GLU 193 HG2 0.04 0.31 -0.01 -0.04 2.34 2.64 2rcvG1 GLU 193 HG3 0.04 -0.04 -0.16 -0.04 2.34 2.14 2rcvG1 VAL 194 H 0.02 0.34 -0.04 -0.55 8.24 8.01 2rcvG1 VAL 194 HA 0.09 0.22 0.47 -0.75 4.13 4.15 2rcvG1 VAL 194 HB 0.28 -0.02 0.12 -0.04 2.12 2.46 2rcvG1 VAL 194 HG13 0.27 0.00 -0.14 -0.04 0.97 1.06 2rcvG1 VAL 194 HG23 -0.32 0.10 0.05 -0.04 0.95 0.74 2rcvG1 ALA 195 H 0.16 0.51 -0.26 -0.55 8.40 8.26 2rcvG1 ALA 195 HA 0.16 -0.04 0.42 -0.75 4.34 4.12 2rcvG1 ALA 195 HB3 0.09 0.01 0.13 -0.04 1.41 1.60 2rcvG1 ARG 196 H 0.09 0.38 -0.31 -0.55 8.46 8.08 2rcvG1 ARG 196 HA 0.07 -0.01 0.49 -0.75 4.34 4.14 2rcvG1 ARG 196 HB2 0.06 0.03 0.17 -0.04 1.90 2.11 2rcvG1 ARG 196 HB3 0.06 0.17 0.20 -0.04 1.80 2.19 2rcvG1 ARG 196 HG2 0.04 0.01 -0.14 -0.04 1.67 1.53 2rcvG1 ARG 196 HG3 0.04 -0.05 0.06 -0.04 1.67 1.67 2rcvG1 ARG 196 HD2 0.04 -0.03 0.01 -0.04 3.22 3.20 2rcvG1 ARG 196 HD3 0.04 0.04 0.01 -0.04 3.22 3.27 2rcvG1 LEU 197 H 0.10 0.58 -0.08 -0.55 8.37 8.42 2rcvG1 LEU 197 HA 0.05 0.01 0.42 -0.75 4.35 4.08 2rcvG1 LEU 197 HB2 0.11 0.11 0.19 -0.04 1.64 2.01 2rcvG1 LEU 197 HB3 0.07 -0.01 0.06 -0.04 1.64 1.73 2rcvG1 LEU 197 HG 0.07 0.18 0.08 -0.04 1.64 1.92 2rcvG1 LEU 197 HD13 0.07 0.04 -0.02 -0.04 0.93 0.98 2rcvG1 LEU 197 HD23 0.04 -0.02 -0.02 -0.04 0.89 0.84 2rcvG1 TYR 198 H 0.22 0.48 -0.23 -0.55 8.29 8.21 2rcvG1 TYR 198 HA 0.06 -0.01 0.34 -0.75 4.56 4.20 2rcvG1 TYR 198 HB2 0.08 -0.00 0.06 -0.04 3.06 3.16 2rcvG1 TYR 198 HB3 0.05 0.11 0.19 -0.04 2.98 3.30 2rcvG1 TYR 198 HD2 0.05 -0.01 -0.09 -0.04 7.15 7.06 2rcvG1 TYR 198 HE2 0.03 -0.05 -0.13 -0.04 6.85 6.66 2rcvG1 SER 199 H 0.13 0.45 -0.14 -0.55 8.46 8.35 2rcvG1 SER 199 HA -0.14 -0.02 0.34 -0.75 4.49 3.92 2rcvG1 SER 199 HB2 0.03 0.14 0.15 -0.04 3.95 4.24 2rcvG1 SER 199 HB3 0.01 -0.06 0.03 -0.04 3.93 3.87 2rcvG1 GLU 200 H -0.01 0.34 -0.29 -0.55 8.60 8.09 2rcvG1 GLU 200 HA -0.03 -0.01 0.43 -0.75 4.29 3.93 2rcvG1 GLU 200 HB2 0.00 0.08 0.07 -0.04 2.09 2.20 2rcvG1 GLU 200 HB3 -0.01 -0.09 0.05 -0.04 1.99 1.90 2rcvG1 GLU 200 HG2 0.00 -0.08 0.01 -0.04 2.34 2.24 2rcvG1 GLU 200 HG3 0.01 0.27 0.10 -0.04 2.34 2.68 2rcvG1 ARG 201 H -0.08 0.38 -0.45 -0.55 8.46 7.76 2rcvG1 ARG 201 HA -0.05 0.09 0.45 -0.75 4.34 4.07