============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 4 0.840 1.005 -0.136 28.331 -99.200 -91.000 PHE 5 1.000 6.724 5.010 36.051 -99.200 -91.000 PHE 9 1.000 10.528 9.872 36.957 -99.200 -91.000 TYR 15 0.840 9.254 9.179 42.992 -99.200 -91.000 HIS 37 0.900 13.351 7.362 32.077 -99.200 -91.000 TYR 49 0.840 2.497 14.810 18.922 -99.200 -91.000 PHE 52 1.000 -4.205 13.039 19.079 -99.200 -91.000 TYR 57 0.840 0.107 2.767 17.563 -99.200 -91.000 TRP 79 1.040 -6.522 2.839 26.294 -99.200 -91.000 TRP6 79 1.020 -7.496 3.819 24.370 -99.200 -91.000 TYR 81 0.840 -7.082 8.228 30.244 -99.200 -91.000 PHE 89 1.000 -3.467 11.480 31.927 -99.200 -91.000 TRP 93 1.040 -8.741 12.334 29.667 -99.200 -91.000 TRP6 93 1.020 -8.295 13.921 31.367 -99.200 -91.000 PHE 102 1.000 -14.158 7.451 40.750 -99.200 -91.000 PHE 110 1.000 0.550 11.728 40.547 -99.200 -91.000 HIS 116 0.900 -8.004 0.737 44.807 -99.200 -91.000 PHE 153 1.000 8.428 23.765 16.194 -99.200 -91.000 PHE 156 1.000 14.062 12.870 13.360 -99.200 -91.000 PHE 171 1.000 -0.070 24.449 -3.327 -99.200 -91.000 PHE 185 1.000 9.114 13.696 3.867 -99.200 -91.000 TYR 192 0.840 4.621 14.669 6.785 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2cw5B1 ARG 2 HA 0.04 -0.12 0.21 -0.75 4.34 3.71 2cw5B1 ARG 2 HB2 0.02 0.05 0.09 -0.04 1.90 2.02 2cw5B1 ARG 2 HB3 0.05 0.04 -0.05 -0.04 1.80 1.80 2cw5B1 ARG 2 HG2 0.00 -0.07 0.04 -0.04 1.67 1.60 2cw5B1 ARG 2 HG3 0.00 0.05 0.03 -0.04 1.67 1.72 2cw5B1 ARG 2 HD2 0.02 0.02 -0.20 -0.04 3.22 3.01 2cw5B1 ARG 2 HD3 0.03 -0.05 0.02 -0.04 3.22 3.18 2cw5B1 PRO 3 HA 0.05 0.16 0.62 -0.51 4.44 4.76 2cw5B1 PRO 3 HB2 0.15 -0.03 -0.07 -0.04 2.28 2.28 2cw5B1 PRO 3 HB3 0.09 -0.04 0.09 -0.04 2.02 2.12 2cw5B1 PRO 3 HG2 0.29 -0.05 0.04 -0.04 2.03 2.27 2cw5B1 PRO 3 HG3 0.23 0.01 0.04 -0.04 2.03 2.26 2cw5B1 PRO 3 HD2 0.09 0.15 0.10 -0.04 3.68 3.98 2cw5B1 PRO 3 HD3 0.08 0.08 0.13 -0.04 3.65 3.90 2cw5B1 VAL 4 H 0.02 0.74 0.33 -0.55 8.24 8.78 2cw5B1 VAL 4 HA 0.14 0.22 1.03 -0.75 4.13 4.77 2cw5B1 VAL 4 HB 0.01 0.00 0.20 -0.04 2.12 2.29 2cw5B1 VAL 4 HG13 0.05 -0.05 -0.22 -0.04 0.97 0.71 2cw5B1 VAL 4 HG23 0.04 0.04 -0.10 -0.04 0.95 0.89 2cw5B1 TYR 5 H 0.32 0.76 0.24 -0.55 8.29 9.06 2cw5B1 TYR 5 HA 0.08 0.08 0.91 -0.75 4.56 4.88 2cw5B1 TYR 5 HB2 0.04 0.05 0.10 -0.04 3.06 3.21 2cw5B1 TYR 5 HB3 0.03 -0.04 -0.01 -0.04 2.98 2.93 2cw5B1 TYR 5 HD2 0.04 0.01 -0.21 -0.04 7.15 6.94 2cw5B1 TYR 5 HE2 0.05 0.02 -0.08 -0.04 6.85 6.79 2cw5B1 PHE 6 H 0.16 0.59 0.20 -0.55 8.34 8.73 2cw5B1 PHE 6 HA 0.04 0.18 0.76 -0.75 4.62 4.85 2cw5B1 PHE 6 HB2 0.01 0.07 -0.04 -0.04 3.15 3.15 2cw5B1 PHE 6 HB3 -0.01 -0.03 0.13 -0.04 3.06 3.11 2cw5B1 PHE 6 HD2 0.01 0.13 -0.06 -0.04 7.28 7.32 2cw5B1 PHE 6 HE2 0.06 0.05 -0.01 -0.04 7.38 7.43 2cw5B1 PHE 6 HZ 0.39 -0.07 -0.01 -0.04 7.32 7.58 2cw5B1 LEU 7 H 0.23 0.99 0.44 -0.55 8.37 9.49 2cw5B1 LEU 7 HA -0.17 0.24 0.70 -0.75 4.35 4.37 2cw5B1 LEU 7 HB2 0.03 0.09 0.07 -0.04 1.64 1.79 2cw5B1 LEU 7 HB3 -0.07 -0.06 -0.00 -0.04 1.64 1.46 2cw5B1 LEU 7 HG 0.07 -0.06 -0.37 -0.04 1.64 1.24 2cw5B1 LEU 7 HD13 0.08 0.02 -0.12 -0.04 0.93 0.87 2cw5B1 LEU 7 HD23 -0.03 0.01 -0.05 -0.04 0.89 0.78 2cw5B1 SER 8 H -0.29 0.30 0.28 -0.55 8.46 8.20 2cw5B1 SER 8 HA -0.31 0.15 0.53 -0.75 4.49 4.11 2cw5B1 SER 8 HB2 -0.34 0.04 -0.09 -0.04 3.95 3.52 2cw5B1 SER 8 HB3 -0.74 0.14 0.18 -0.04 3.93 3.47 2cw5B1 ASP 9 H -0.57 0.22 0.17 -0.55 8.40 7.67 2cw5B1 ASP 9 HA -0.16 0.47 0.94 -0.75 4.63 5.13 2cw5B1 ASP 9 HB2 -0.10 0.01 -0.10 -0.04 2.71 2.48 2cw5B1 ASP 9 HB3 -0.16 -0.00 -0.29 -0.04 2.70 2.21 2cw5B1 PHE 10 H -0.33 0.39 -0.01 -0.55 8.34 7.83 2cw5B1 PHE 10 HA 0.06 0.13 0.49 -0.75 4.62 4.54 2cw5B1 PHE 10 HB2 0.03 0.04 0.07 -0.04 3.15 3.25 2cw5B1 PHE 10 HB3 0.17 -0.15 0.14 -0.04 3.06 3.17 2cw5B1 PHE 10 HD2 -0.13 0.04 0.04 -0.04 7.28 7.18 2cw5B1 PHE 10 HE2 0.23 0.03 -0.03 -0.04 7.38 7.56 2cw5B1 PHE 10 HZ 0.50 0.04 -0.11 -0.04 7.32 7.70 2cw5B1 GLY 11 H 0.25 0.18 -0.09 -0.55 8.43 8.22 2cw5B1 GLY 11 HA2 0.10 0.12 0.29 -0.51 4.01 4.02 2cw5B1 GLY 11 HA3 0.08 0.13 0.33 -0.51 4.01 4.04 2cw5B1 LEU 12 H 0.41 -0.03 -0.42 -0.55 8.37 7.78 2cw5B1 LEU 12 HA -0.19 -0.05 0.19 -0.75 4.35 3.54 2cw5B1 LEU 12 HB2 -0.20 0.14 -0.35 -0.04 1.64 1.19 2cw5B1 LEU 12 HB3 -0.15 0.03 0.20 -0.04 1.64 1.68 2cw5B1 LEU 12 HG -1.22 -0.08 -0.08 -0.04 1.64 0.22 2cw5B1 LEU 12 HD13 -0.19 0.02 -0.05 -0.04 0.93 0.67 2cw5B1 LEU 12 HD23 -0.23 -0.00 -0.01 -0.04 0.89 0.60 2cw5B1 GLU 13 H 0.12 0.42 -0.31 -0.55 8.60 8.28 2cw5B1 GLU 13 HA 0.02 0.20 0.90 -0.75 4.29 4.65 2cw5B1 GLU 13 HB2 0.08 0.12 0.04 -0.04 2.09 2.29 2cw5B1 GLU 13 HB3 0.04 -0.07 0.12 -0.04 1.99 2.04 2cw5B1 GLU 13 HG2 0.01 0.00 -0.04 -0.04 2.34 2.27 2cw5B1 GLU 13 HG3 0.03 0.21 -0.09 -0.04 2.34 2.44 2cw5B1 ASP 14 H 0.11 0.03 -0.00 -0.55 8.40 7.99 2cw5B1 ASP 14 HA 0.03 0.32 1.01 -0.75 4.63 5.24 2cw5B1 ASP 14 HB2 0.20 0.14 -0.01 -0.04 2.71 3.00 2cw5B1 ASP 14 HB3 0.12 -0.10 0.19 -0.04 2.70 2.86 2cw5B1 PRO 15 HA -0.07 0.09 0.41 -0.51 4.44 4.36 2cw5B1 PRO 15 HB2 -0.01 0.02 0.05 -0.04 2.28 2.30 2cw5B1 PRO 15 HB3 -0.01 0.09 0.08 -0.04 2.02 2.14 2cw5B1 PRO 15 HG2 0.02 0.01 0.01 -0.04 2.03 2.03 2cw5B1 PRO 15 HG3 0.01 0.10 0.05 -0.04 2.03 2.15 2cw5B1 PRO 15 HD2 0.02 0.12 0.24 -0.04 3.68 4.02 2cw5B1 PRO 15 HD3 0.00 0.25 0.08 -0.04 3.65 3.94 2cw5B1 TYR 16 H -0.05 0.14 -0.51 -0.55 8.29 7.31 2cw5B1 TYR 16 HA -0.08 0.07 0.36 -0.75 4.56 4.16 2cw5B1 TYR 16 HB2 -0.04 0.04 0.05 -0.04 3.06 3.08 2cw5B1 TYR 16 HB3 -0.27 0.04 -0.03 -0.04 2.98 2.67 2cw5B1 TYR 16 HD2 0.25 0.02 -0.06 -0.04 7.15 7.33 2cw5B1 TYR 16 HE2 0.15 0.06 -0.06 -0.04 6.85 6.96 2cw5B1 VAL 17 H -0.62 0.36 -0.37 -0.55 8.24 7.06 2cw5B1 VAL 17 HA -0.04 0.05 0.37 -0.75 4.13 3.76 2cw5B1 VAL 17 HB -0.48 -0.01 0.09 -0.04 2.12 1.68 2cw5B1 VAL 17 HG13 -0.05 0.05 -0.03 -0.04 0.97 0.90 2cw5B1 VAL 17 HG23 0.07 0.00 -0.08 -0.04 0.95 0.90 2cw5B1 ALA 18 H -0.12 0.44 -0.19 -0.55 8.40 7.97 2cw5B1 ALA 18 HA -0.02 0.08 0.47 -0.75 4.34 4.12 2cw5B1 ALA 18 HB3 -0.04 0.04 0.08 -0.04 1.41 1.45 2cw5B1 VAL 19 H -0.22 0.21 -0.22 -0.55 8.24 7.45 2cw5B1 VAL 19 HA -0.12 0.08 0.43 -0.75 4.13 3.76 2cw5B1 VAL 19 HB -0.73 0.10 0.15 -0.04 2.12 1.60 2cw5B1 VAL 19 HG13 -0.08 0.00 -0.08 -0.04 0.97 0.77 2cw5B1 VAL 19 HG23 -0.02 0.01 0.01 -0.04 0.95 0.90 2cw5B1 VAL 20 H -0.41 0.50 -0.09 -0.55 8.24 7.69 2cw5B1 VAL 20 HA -0.24 0.02 0.41 -0.75 4.13 3.57 2cw5B1 VAL 20 HB -0.12 0.12 0.12 -0.04 2.12 2.20 2cw5B1 VAL 20 HG13 -0.79 -0.00 -0.12 -0.04 0.97 0.02 2cw5B1 VAL 20 HG23 -0.14 0.03 0.02 -0.04 0.95 0.82 2cw5B1 LYS 21 H -0.07 0.39 -0.22 -0.55 8.42 7.97 2cw5B1 LYS 21 HA -0.08 0.06 0.39 -0.75 4.32 3.93 2cw5B1 LYS 21 HB2 -0.00 0.08 0.14 -0.04 1.87 2.05 2cw5B1 LYS 21 HB3 0.01 0.02 0.01 -0.04 1.79 1.78 2cw5B1 LYS 21 HG2 0.14 -0.00 0.02 -0.04 1.46 1.57 2cw5B1 LYS 21 HG3 0.20 0.15 0.09 -0.04 1.46 1.86 2cw5B1 LYS 21 HD2 0.06 -0.04 -0.02 -0.04 1.69 1.65 2cw5B1 LYS 21 HD3 0.06 0.04 0.00 -0.04 1.68 1.73 2cw5B1 LYS 21 HE2 0.15 0.01 -0.01 -0.04 2.99 3.09 2cw5B1 LYS 21 HE3 0.15 -0.07 -0.05 -0.04 2.99 2.98 2cw5B1 ALA 22 H -0.08 0.41 -0.28 -0.55 8.40 7.91 2cw5B1 ALA 22 HA -0.03 0.04 0.42 -0.75 4.34 4.01 2cw5B1 ALA 22 HB3 -0.04 0.03 0.11 -0.04 1.41 1.46 2cw5B1 VAL 23 H -0.09 0.51 -0.14 -0.55 8.24 7.98 2cw5B1 VAL 23 HA -0.03 0.02 0.42 -0.75 4.13 3.79 2cw5B1 VAL 23 HB -0.08 0.07 0.16 -0.04 2.12 2.23 2cw5B1 VAL 23 HG13 -0.01 -0.00 -0.18 -0.04 0.97 0.74 2cw5B1 VAL 23 HG23 -0.04 0.05 0.02 -0.04 0.95 0.94 2cw5B1 LEU 24 H -0.09 0.56 -0.11 -0.55 8.37 8.19 2cw5B1 LEU 24 HA -0.04 0.02 0.34 -0.75 4.35 3.92 2cw5B1 LEU 24 HB2 -0.08 0.05 0.10 -0.04 1.64 1.67 2cw5B1 LEU 24 HB3 -0.05 0.10 -0.06 -0.04 1.64 1.59 2cw5B1 LEU 24 HG -0.17 0.05 0.03 -0.04 1.64 1.51 2cw5B1 LEU 24 HD13 -0.23 -0.03 -0.11 -0.04 0.93 0.52 2cw5B1 LEU 24 HD23 -0.05 0.00 -0.05 -0.04 0.89 0.74 2cw5B1 ALA 25 H -0.04 0.46 -0.28 -0.55 8.40 8.00 2cw5B1 ALA 25 HA -0.02 0.15 0.30 -0.75 4.34 4.02 2cw5B1 ALA 25 HB3 -0.02 -0.02 0.07 -0.04 1.41 1.41 2cw5B1 GLU 26 H -0.02 0.41 -0.26 -0.55 8.60 8.18 2cw5B1 GLU 26 HA -0.01 0.05 0.53 -0.75 4.29 4.10 2cw5B1 GLU 26 HB2 -0.01 -0.03 0.09 -0.04 2.09 2.10 2cw5B1 GLU 26 HB3 -0.01 0.04 0.13 -0.04 1.99 2.11 2cw5B1 GLU 26 HG2 -0.00 0.03 -0.18 -0.04 2.34 2.15 2cw5B1 GLU 26 HG3 -0.01 -0.04 0.06 -0.04 2.34 2.31 2cw5B1 ARG 27 H -0.01 0.50 -0.12 -0.55 8.46 8.28 2cw5B1 ARG 27 HA 0.00 0.10 0.73 -0.75 4.34 4.41 2cw5B1 ARG 27 HB2 0.00 0.04 0.00 -0.04 1.90 1.90 2cw5B1 ARG 27 HB3 0.01 -0.04 0.04 -0.04 1.80 1.77 2cw5B1 ARG 27 HG2 0.00 -0.05 -0.06 -0.04 1.67 1.52 2cw5B1 ARG 27 HG3 -0.00 0.13 0.03 -0.04 1.67 1.78 2cw5B1 ARG 27 HD2 0.01 -0.08 -0.05 -0.04 3.22 3.06 2cw5B1 ARG 27 HD3 0.01 -0.02 -0.12 -0.04 3.22 3.04 2cw5B1 ALA 28 H -0.01 0.45 -0.28 -0.55 8.40 8.02 2cw5B1 ALA 28 HA -0.01 0.05 0.58 -0.75 4.34 4.21 2cw5B1 ALA 28 HB3 -0.00 0.01 0.03 -0.04 1.41 1.40 2cw5B1 PRO 29 HA -0.01 0.05 0.46 -0.51 4.44 4.44 2cw5B1 PRO 29 HB2 -0.01 -0.08 -0.00 -0.04 2.28 2.15 2cw5B1 PRO 29 HB3 -0.01 0.15 0.16 -0.04 2.02 2.28 2cw5B1 PRO 29 HG2 -0.01 -0.07 0.04 -0.04 2.03 1.95 2cw5B1 PRO 29 HG3 -0.01 -0.02 0.03 -0.04 2.03 1.99 2cw5B1 PRO 29 HD2 -0.01 0.09 -0.07 -0.04 3.68 3.65 2cw5B1 PRO 29 HD3 -0.01 0.23 -0.20 -0.04 3.65 3.63 2cw5B1 GLY 30 H -0.01 0.03 -0.28 -0.55 8.43 7.63 2cw5B1 GLY 30 HA2 -0.00 -0.06 0.32 -0.51 4.01 3.75 2cw5B1 GLY 30 HA3 -0.01 -0.02 0.24 -0.51 4.01 3.71 2cw5B1 PRO 31 HA 0.01 -0.08 0.38 -0.51 4.44 4.24 2cw5B1 PRO 31 HB2 0.00 -0.05 0.00 -0.04 2.28 2.20 2cw5B1 PRO 31 HB3 0.01 0.36 0.09 -0.04 2.02 2.45 2cw5B1 PRO 31 HG2 -0.00 -0.03 -0.16 -0.04 2.03 1.80 2cw5B1 PRO 31 HG3 0.00 0.15 -0.05 -0.04 2.03 2.09 2cw5B1 PRO 31 HD2 -0.01 0.28 -0.14 -0.04 3.68 3.78 2cw5B1 PRO 31 HD3 -0.01 -0.06 0.03 -0.04 3.65 3.57 2cw5B1 ALA 32 H 0.01 0.05 0.15 -0.55 8.40 8.07 2cw5B1 ALA 32 HA -0.01 0.10 0.52 -0.75 4.34 4.19 2cw5B1 ALA 32 HB3 -0.01 -0.02 0.08 -0.04 1.41 1.42 2cw5B1 VAL 33 H -0.03 0.17 0.16 -0.55 8.24 8.00 2cw5B1 VAL 33 HA -0.04 0.30 1.01 -0.75 4.13 4.66 2cw5B1 VAL 33 HB 0.00 -0.05 0.16 -0.04 2.12 2.19 2cw5B1 VAL 33 HG13 0.06 -0.05 -0.18 -0.04 0.97 0.77 2cw5B1 VAL 33 HG23 -0.02 0.06 -0.16 -0.04 0.95 0.79 2cw5B1 VAL 34 H -0.24 0.81 0.31 -0.55 8.24 8.56 2cw5B1 VAL 34 HA -0.14 0.08 0.76 -0.75 4.13 4.07 2cw5B1 VAL 34 HB -0.95 -0.04 0.19 -0.04 2.12 1.28 2cw5B1 VAL 34 HG13 -0.16 0.00 -0.13 -0.04 0.97 0.64 2cw5B1 VAL 34 HG23 -0.59 0.02 -0.08 -0.04 0.95 0.26 2cw5B1 ASP 35 H -0.03 0.21 0.18 -0.55 8.40 8.21 2cw5B1 ASP 35 HA 0.02 0.06 0.64 -0.75 4.63 4.58 2cw5B1 ASP 35 HB2 0.05 0.09 0.12 -0.04 2.71 2.92 2cw5B1 ASP 35 HB3 0.01 0.03 0.24 -0.04 2.70 2.94 2cw5B1 LEU 36 H -0.13 0.70 0.38 -0.55 8.37 8.78 2cw5B1 LEU 36 HA -0.05 0.12 0.76 -0.75 4.35 4.42 2cw5B1 LEU 36 HB2 -0.02 0.12 -0.11 -0.04 1.64 1.59 2cw5B1 LEU 36 HB3 -0.03 -0.08 0.17 -0.04 1.64 1.65 2cw5B1 LEU 36 HG 0.03 0.01 -0.44 -0.04 1.64 1.20 2cw5B1 LEU 36 HD13 0.18 0.01 -0.13 -0.04 0.93 0.94 2cw5B1 LEU 36 HD23 0.02 0.05 -0.07 -0.04 0.89 0.85 2cw5B1 ALA 37 H -0.36 0.11 -0.00 -0.55 8.40 7.60 2cw5B1 ALA 37 HA -0.75 0.06 0.29 -0.75 4.34 3.19 2cw5B1 ALA 37 HB3 -0.78 0.01 0.05 -0.04 1.41 0.65 2cw5B1 HIS 38 H -0.18 0.15 -0.50 -0.55 8.41 7.34 2cw5B1 HIS 38 HA -0.05 0.02 0.89 -0.75 4.63 4.74 2cw5B1 HIS 38 HB2 -0.02 0.13 -0.02 -0.04 3.26 3.30 2cw5B1 HIS 38 HB3 -0.00 -0.02 0.12 -0.04 3.20 3.25 2cw5B1 HIS 38 HD2 -0.03 0.11 -0.11 -0.04 6.97 6.90 2cw5B1 HIS 38 HE1 0.07 0.04 -0.06 -0.04 7.75 7.75 2cw5B1 ALA 39 H -0.12 0.41 0.01 -0.55 8.40 8.16 2cw5B1 ALA 39 HA -0.02 0.10 0.56 -0.75 4.34 4.23 2cw5B1 ALA 39 HB3 -0.05 0.00 0.13 -0.04 1.41 1.45 2cw5B1 LEU 40 H -0.12 0.45 -0.00 -0.55 8.37 8.15 2cw5B1 LEU 40 HA -0.07 0.22 0.87 -0.75 4.35 4.62 2cw5B1 LEU 40 HB2 -0.16 -0.07 -0.39 -0.04 1.64 0.98 2cw5B1 LEU 40 HB3 -0.12 0.03 -0.12 -0.04 1.64 1.39 2cw5B1 LEU 40 HG -0.13 -0.07 -0.12 -0.04 1.64 1.28 2cw5B1 LEU 40 HD13 -0.18 -0.02 -0.23 -0.04 0.93 0.46 2cw5B1 LEU 40 HD23 -0.10 0.03 -0.12 -0.04 0.89 0.66 2cw5B1 PRO 41 HA -0.02 0.16 0.56 -0.51 4.44 4.62 2cw5B1 PRO 41 HB2 -0.01 0.08 -0.04 -0.04 2.28 2.27 2cw5B1 PRO 41 HB3 -0.01 0.03 0.04 -0.04 2.02 2.04 2cw5B1 PRO 41 HG2 -0.03 -0.01 0.05 -0.04 2.03 2.00 2cw5B1 PRO 41 HG3 0.00 -0.02 -0.07 -0.04 2.03 1.91 2cw5B1 PRO 41 HD2 -0.05 0.00 0.18 -0.04 3.68 3.78 2cw5B1 PRO 41 HD3 -0.02 0.24 0.13 -0.04 3.65 3.96 2cw5B1 PRO 42 HA -0.06 0.01 0.60 -0.51 4.44 4.49 2cw5B1 PRO 42 HB2 -0.01 -0.01 0.04 -0.04 2.28 2.25 2cw5B1 PRO 42 HB3 -0.03 0.17 0.15 -0.04 2.02 2.26 2cw5B1 PRO 42 HG2 -0.01 0.01 0.05 -0.04 2.03 2.05 2cw5B1 PRO 42 HG3 0.01 0.07 0.06 -0.04 2.03 2.12 2cw5B1 PRO 42 HD2 -0.01 0.05 0.21 -0.04 3.68 3.89 2cw5B1 PRO 42 HD3 -0.01 0.23 0.21 -0.04 3.65 4.03 2cw5B1 GLN 43 H -0.04 0.11 0.12 -0.55 8.47 8.12 2cw5B1 GLN 43 HA -0.03 -0.01 0.34 -0.75 4.36 3.91 2cw5B1 GLN 43 HB2 -0.01 0.19 -0.08 -0.04 2.15 2.21 2cw5B1 GLN 43 HB3 -0.01 -0.01 0.20 -0.04 2.02 2.17 2cw5B1 GLN 43 HG2 -0.01 0.01 0.04 -0.04 2.40 2.40 2cw5B1 GLN 43 HG3 -0.01 -0.07 -0.13 -0.04 2.39 2.14 2cw5B1 GLN 43 HE21 -0.00 0.01 0.00 -0.04 6.97 6.94 2cw5B1 GLN 43 HE22 -0.00 -0.00 0.01 -0.04 7.69 7.65 2cw5B1 ASP 44 H -0.04 0.13 -0.37 -0.55 8.40 7.57 2cw5B1 ASP 44 HA -0.02 0.09 0.50 -0.75 4.63 4.45 2cw5B1 ASP 44 HB2 -0.01 0.27 -0.24 -0.04 2.71 2.69 2cw5B1 ASP 44 HB3 -0.02 0.02 -0.05 -0.04 2.70 2.61 2cw5B1 LEU 45 H -0.04 0.24 0.04 -0.55 8.37 8.07 2cw5B1 LEU 45 HA -0.08 0.08 0.37 -0.75 4.35 3.97 2cw5B1 LEU 45 HB2 -0.05 0.02 0.11 -0.04 1.64 1.67 2cw5B1 LEU 45 HB3 -0.05 0.03 0.04 -0.04 1.64 1.63 2cw5B1 LEU 45 HG -0.09 0.02 -0.21 -0.04 1.64 1.32 2cw5B1 LEU 45 HD13 -0.13 -0.04 -0.07 -0.04 0.93 0.65 2cw5B1 LEU 45 HD23 -0.05 0.14 0.01 -0.04 0.89 0.95 2cw5B1 ARG 46 H -0.03 0.12 -0.16 -0.55 8.46 7.84 2cw5B1 ARG 46 HA -0.04 0.10 0.39 -0.75 4.34 4.03 2cw5B1 ARG 46 HB2 -0.03 0.01 0.05 -0.04 1.90 1.89 2cw5B1 ARG 46 HB3 -0.05 0.09 0.01 -0.04 1.80 1.81 2cw5B1 ARG 46 HG2 -0.04 -0.06 0.00 -0.04 1.67 1.54 2cw5B1 ARG 46 HG3 -0.03 -0.01 0.04 -0.04 1.67 1.63 2cw5B1 ARG 46 HD2 -0.04 -0.01 -0.03 -0.04 3.22 3.09 2cw5B1 ARG 46 HD3 -0.03 0.02 -0.01 -0.04 3.22 3.15 2cw5B1 ARG 47 H -0.01 0.13 -0.20 -0.55 8.46 7.82 2cw5B1 ARG 47 HA 0.07 0.05 0.42 -0.75 4.34 4.13 2cw5B1 ARG 47 HB2 0.01 -0.04 0.11 -0.04 1.90 1.95 2cw5B1 ARG 47 HB3 0.01 0.14 0.10 -0.04 1.80 2.01 2cw5B1 ARG 47 HG2 0.05 0.05 -0.06 -0.04 1.67 1.67 2cw5B1 ARG 47 HG3 0.11 -0.05 0.09 -0.04 1.67 1.77 2cw5B1 ARG 47 HD2 0.05 0.07 0.08 -0.04 3.22 3.38 2cw5B1 ARG 47 HD3 0.04 -0.12 0.11 -0.04 3.22 3.20 2cw5B1 ALA 48 H -0.03 0.46 -0.11 -0.55 8.40 8.17 2cw5B1 ALA 48 HA -0.05 0.06 0.48 -0.75 4.34 4.08 2cw5B1 ALA 48 HB3 -0.10 0.04 0.06 -0.04 1.41 1.36 2cw5B1 ALA 49 H -0.06 0.62 -0.12 -0.55 8.40 8.29 2cw5B1 ALA 49 HA -0.13 0.18 0.53 -0.75 4.34 4.17 2cw5B1 ALA 49 HB3 -0.09 -0.03 0.15 -0.04 1.41 1.40 2cw5B1 TYR 50 H 0.10 0.42 -0.27 -0.55 8.29 7.98 2cw5B1 TYR 50 HA 0.02 0.04 0.42 -0.75 4.56 4.28 2cw5B1 TYR 50 HB2 -0.05 -0.01 0.02 -0.04 3.06 2.97 2cw5B1 TYR 50 HB3 -0.03 0.12 0.15 -0.04 2.98 3.19 2cw5B1 TYR 50 HD2 0.03 0.06 -0.08 -0.04 7.15 7.12 2cw5B1 TYR 50 HE2 0.10 -0.01 -0.11 -0.04 6.85 6.79 2cw5B1 ALA 51 H -0.01 0.53 -0.13 -0.55 8.40 8.24 2cw5B1 ALA 51 HA -0.36 -0.02 0.38 -0.75 4.34 3.59 2cw5B1 ALA 51 HB3 -0.06 0.04 0.12 -0.04 1.41 1.48 2cw5B1 LEU 52 H -0.10 0.43 -0.27 -0.55 8.37 7.88 2cw5B1 LEU 52 HA -0.09 0.02 0.40 -0.75 4.35 3.92 2cw5B1 LEU 52 HB2 -0.06 0.12 0.11 -0.04 1.64 1.76 2cw5B1 LEU 52 HB3 -0.01 -0.04 -0.02 -0.04 1.64 1.52 2cw5B1 LEU 52 HG -0.11 0.15 0.01 -0.04 1.64 1.65 2cw5B1 LEU 52 HD13 -0.17 0.01 -0.14 -0.04 0.93 0.59 2cw5B1 LEU 52 HD23 -0.01 -0.01 -0.09 -0.04 0.89 0.73 2cw5B1 PHE 53 H 0.01 0.38 -0.26 -0.55 8.34 7.93 2cw5B1 PHE 53 HA -0.12 0.01 0.29 -0.75 4.62 4.04 2cw5B1 PHE 53 HB2 -0.07 -0.10 0.02 -0.04 3.15 2.96 2cw5B1 PHE 53 HB3 -0.17 0.15 0.15 -0.04 3.06 3.15 2cw5B1 PHE 53 HD2 0.00 -0.01 -0.18 -0.04 7.28 7.05 2cw5B1 PHE 53 HE2 0.05 0.02 -0.10 -0.04 7.38 7.30 2cw5B1 PHE 53 HZ 0.03 0.02 -0.07 -0.04 7.32 7.27 2cw5B1 GLU 54 H -0.29 0.40 -0.25 -0.55 8.60 7.92 2cw5B1 GLU 54 HA -0.27 0.12 0.52 -0.75 4.29 3.90 2cw5B1 GLU 54 HB2 -0.37 -0.07 0.02 -0.04 2.09 1.63 2cw5B1 GLU 54 HB3 -0.28 0.06 0.07 -0.04 1.99 1.79 2cw5B1 GLU 54 HG2 -0.04 0.05 -0.24 -0.04 2.34 2.07 2cw5B1 GLU 54 HG3 0.00 0.02 -0.09 -0.04 2.34 2.23 2cw5B1 ALA 55 H -0.16 0.42 -0.10 -0.55 8.40 8.01 2cw5B1 ALA 55 HA 0.02 0.06 0.54 -0.75 4.34 4.21 2cw5B1 ALA 55 HB3 -0.08 -0.03 0.04 -0.04 1.41 1.30 2cw5B1 LEU 56 H -0.22 0.71 -0.01 -0.55 8.37 8.31 2cw5B1 LEU 56 HA -0.49 -0.07 0.26 -0.75 4.35 3.30 2cw5B1 LEU 56 HB2 -0.31 0.02 0.09 -0.04 1.64 1.39 2cw5B1 LEU 56 HB3 -0.41 0.11 0.06 -0.04 1.64 1.36 2cw5B1 LEU 56 HG -1.78 0.03 -0.28 -0.04 1.64 -0.43 2cw5B1 LEU 56 HD13 -0.92 -0.04 -0.05 -0.04 0.93 -0.11 2cw5B1 LEU 56 HD23 -0.15 -0.03 -0.06 -0.04 0.89 0.60 2cw5B1 PRO 57 HA -0.11 0.03 0.37 -0.51 4.44 4.22 2cw5B1 PRO 57 HB2 -0.50 0.03 -0.04 -0.04 2.28 1.73 2cw5B1 PRO 57 HB3 -0.22 -0.04 0.08 -0.04 2.02 1.80 2cw5B1 PRO 57 HG2 -0.30 0.08 0.03 -0.04 2.03 1.80 2cw5B1 PRO 57 HG3 -0.26 -0.02 0.04 -0.04 2.03 1.74 2cw5B1 PRO 57 HD2 -0.19 0.28 -0.53 -0.04 3.68 3.20 2cw5B1 PRO 57 HD3 -0.35 0.12 -0.08 -0.04 3.65 3.30 2cw5B1 TYR 58 H -0.01 0.56 -0.38 -0.55 8.29 7.90 2cw5B1 TYR 58 HA 0.00 0.08 0.65 -0.75 4.56 4.53 2cw5B1 TYR 58 HB2 -0.08 0.14 0.07 -0.04 3.06 3.15 2cw5B1 TYR 58 HB3 -0.02 -0.11 0.10 -0.04 2.98 2.90 2cw5B1 TYR 58 HD2 -0.05 0.09 0.05 -0.04 7.15 7.19 2cw5B1 TYR 58 HE2 -0.04 0.02 0.00 -0.04 6.85 6.80 2cw5B1 LEU 59 H -0.15 0.55 -0.17 -0.55 8.37 8.06 2cw5B1 LEU 59 HA -0.21 0.05 0.65 -0.75 4.35 4.08 2cw5B1 LEU 59 HB2 -0.52 0.19 0.10 -0.04 1.64 1.37 2cw5B1 LEU 59 HB3 -0.30 0.04 -0.08 -0.04 1.64 1.26 2cw5B1 LEU 59 HG -1.46 -0.03 -0.04 -0.04 1.64 0.06 2cw5B1 LEU 59 HD13 -0.19 0.00 -0.26 -0.04 0.93 0.45 2cw5B1 LEU 59 HD23 -0.37 -0.03 -0.09 -0.04 0.89 0.36 2cw5B1 PRO 60 HA 0.11 0.03 0.49 -0.51 4.44 4.56 2cw5B1 PRO 60 HB2 0.07 0.12 0.02 -0.04 2.28 2.45 2cw5B1 PRO 60 HB3 0.09 -0.02 0.11 -0.04 2.02 2.16 2cw5B1 PRO 60 HG2 0.12 0.01 0.07 -0.04 2.03 2.19 2cw5B1 PRO 60 HG3 0.20 -0.00 0.06 -0.04 2.03 2.25 2cw5B1 PRO 60 HD2 -0.42 0.02 0.18 -0.04 3.68 3.42 2cw5B1 PRO 60 HD3 0.06 0.15 0.18 -0.04 3.65 4.01 2cw5B1 GLU 61 H -0.06 0.05 0.18 -0.55 8.60 8.22 2cw5B1 GLU 61 HA -0.98 0.05 0.38 -0.75 4.29 2.99 2cw5B1 GLU 61 HB2 -0.22 -0.06 0.13 -0.04 2.09 1.90 2cw5B1 GLU 61 HB3 -0.45 0.09 0.11 -0.04 1.99 1.70 2cw5B1 GLU 61 HG2 -0.79 0.05 0.05 -0.04 2.34 1.61 2cw5B1 GLU 61 HG3 -0.22 -0.02 0.13 -0.04 2.34 2.18 2cw5B1 GLY 62 H -0.44 0.42 0.40 -0.55 8.43 8.26 2cw5B1 GLY 62 HA2 -0.10 0.03 0.39 -0.51 4.01 3.81 2cw5B1 GLY 62 HA3 -0.07 0.08 0.60 -0.51 4.01 4.10 2cw5B1 ALA 63 H 0.12 0.39 -0.31 -0.55 8.40 8.05 2cw5B1 ALA 63 HA 0.13 0.15 0.41 -0.75 4.34 4.28 2cw5B1 ALA 63 HB3 0.16 -0.03 -0.02 -0.04 1.41 1.48 2cw5B1 VAL 64 H 0.15 0.78 0.30 -0.55 8.24 8.91 2cw5B1 VAL 64 HA 0.04 0.12 0.71 -0.75 4.13 4.25 2cw5B1 VAL 64 HB 0.10 -0.04 0.19 -0.04 2.12 2.32 2cw5B1 VAL 64 HG13 0.09 -0.04 -0.22 -0.04 0.97 0.76 2cw5B1 VAL 64 HG23 0.06 0.04 -0.16 -0.04 0.95 0.85 2cw5B1 VAL 65 H -0.05 1.03 0.35 -0.55 8.24 9.02 2cw5B1 VAL 65 HA 0.13 0.08 0.74 -0.75 4.13 4.33 2cw5B1 VAL 65 HB -0.10 -0.03 0.24 -0.04 2.12 2.19 2cw5B1 VAL 65 HG13 0.20 -0.03 -0.12 -0.04 0.97 0.98 2cw5B1 VAL 65 HG23 -0.18 0.03 -0.06 -0.04 0.95 0.70 2cw5B1 LEU 66 H 0.19 0.67 0.32 -0.55 8.37 9.00 2cw5B1 LEU 66 HA 0.18 0.22 0.94 -0.75 4.35 4.93 2cw5B1 LEU 66 HB2 0.11 0.04 -0.06 -0.04 1.64 1.68 2cw5B1 LEU 66 HB3 0.16 0.02 0.07 -0.04 1.64 1.85 2cw5B1 LEU 66 HG 0.16 -0.08 -0.34 -0.04 1.64 1.33 2cw5B1 LEU 66 HD13 0.13 0.02 -0.20 -0.04 0.93 0.83 2cw5B1 LEU 66 HD23 -0.19 -0.02 -0.12 -0.04 0.89 0.51 2cw5B1 ALA 67 H 0.13 0.86 0.39 -0.55 8.40 9.23 2cw5B1 ALA 67 HA -0.01 0.32 0.98 -0.75 4.34 4.87 2cw5B1 ALA 67 HB3 -0.16 -0.02 0.03 -0.04 1.41 1.21 2cw5B1 VAL 68 H 0.02 0.60 0.24 -0.55 8.24 8.55 2cw5B1 VAL 68 HA -0.43 0.11 0.82 -0.75 4.13 3.88 2cw5B1 VAL 68 HB 0.32 -0.01 0.20 -0.04 2.12 2.59 2cw5B1 VAL 68 HG13 0.46 -0.01 -0.07 -0.04 0.97 1.31 2cw5B1 VAL 68 HG23 0.21 0.01 -0.08 -0.04 0.95 1.06 2cw5B1 VAL 69 H -0.29 0.23 0.07 -0.55 8.24 7.71 2cw5B1 VAL 69 HA -0.15 0.17 0.69 -0.75 4.13 4.09 2cw5B1 VAL 69 HB -0.14 0.04 0.02 -0.04 2.12 2.00 2cw5B1 VAL 69 HG13 -0.11 -0.00 0.02 -0.04 0.97 0.84 2cw5B1 VAL 69 HG23 -0.25 0.02 -0.41 -0.04 0.95 0.27 2cw5B1 ALA 76 HA 0.02 -0.09 0.36 -0.75 4.34 3.88 2cw5B1 ALA 76 HB3 0.02 -0.01 0.02 -0.04 1.41 1.39 2cw5B1 ARG 77 H 0.04 0.19 0.07 -0.55 8.46 8.20 2cw5B1 ARG 77 HA 0.04 0.17 0.80 -0.75 4.34 4.60 2cw5B1 ARG 77 HB2 0.07 -0.08 -0.17 -0.04 1.90 1.68 2cw5B1 ARG 77 HB3 0.07 0.04 -0.12 -0.04 1.80 1.74 2cw5B1 ARG 77 HG2 0.03 0.01 -0.62 -0.04 1.67 1.05 2cw5B1 ARG 77 HG3 0.03 -0.09 -0.21 -0.04 1.67 1.36 2cw5B1 ARG 77 HD2 0.04 0.10 -0.00 -0.04 3.22 3.31 2cw5B1 ARG 77 HD3 0.03 0.14 0.09 -0.04 3.22 3.44 2cw5B1 ARG 78 H 0.06 0.14 0.13 -0.55 8.46 8.24 2cw5B1 ARG 78 HA 0.05 0.11 0.51 -0.75 4.34 4.25 2cw5B1 ARG 78 HB2 0.06 0.07 0.12 -0.04 1.90 2.11 2cw5B1 ARG 78 HB3 0.05 0.00 0.10 -0.04 1.80 1.91 2cw5B1 ARG 78 HG2 0.07 -0.03 0.10 -0.04 1.67 1.77 2cw5B1 ARG 78 HG3 0.10 -0.03 -0.24 -0.04 1.67 1.46 2cw5B1 ARG 78 HD2 0.05 0.04 -0.06 -0.04 3.22 3.21 2cw5B1 ARG 78 HD3 0.04 -0.01 -0.00 -0.04 3.22 3.21 2cw5B1 ALA 79 H 0.06 0.23 0.24 -0.55 8.40 8.38 2cw5B1 ALA 79 HA 0.29 0.10 0.90 -0.75 4.34 4.88 2cw5B1 ALA 79 HB3 0.01 0.04 0.03 -0.04 1.41 1.45 2cw5B1 VAL 80 H 0.32 0.61 0.32 -0.55 8.24 8.94 2cw5B1 VAL 80 HA 0.18 0.25 1.06 -0.75 4.13 4.87 2cw5B1 VAL 80 HB 0.18 0.08 0.04 -0.04 2.12 2.37 2cw5B1 VAL 80 HG13 0.13 -0.03 -0.33 -0.04 0.97 0.70 2cw5B1 VAL 80 HG23 0.33 -0.03 -0.24 -0.04 0.95 0.97 2cw5B1 ALA 81 H 0.22 0.59 0.37 -0.55 8.40 9.03 2cw5B1 ALA 81 HA 0.26 0.40 1.01 -0.75 4.34 5.25 2cw5B1 ALA 81 HB3 0.21 -0.01 0.02 -0.04 1.41 1.59 2cw5B1 ALA 82 H 0.29 0.57 0.36 -0.55 8.40 9.07 2cw5B1 ALA 82 HA 0.09 0.22 1.08 -0.75 4.34 4.98 2cw5B1 ALA 82 HB3 0.08 -0.01 0.00 -0.04 1.41 1.43 2cw5B1 LEU 83 H 0.08 0.71 0.38 -0.55 8.37 8.99 2cw5B1 LEU 83 HA 0.14 0.23 1.14 -0.75 4.35 5.11 2cw5B1 LEU 83 HB2 0.11 -0.15 0.18 -0.04 1.64 1.75 2cw5B1 LEU 83 HB3 0.09 0.12 0.04 -0.04 1.64 1.85 2cw5B1 LEU 83 HG 0.31 -0.05 -0.23 -0.04 1.64 1.64 2cw5B1 LEU 83 HD13 0.23 -0.01 -0.07 -0.04 0.93 1.05 2cw5B1 LEU 83 HD23 0.12 0.05 -0.19 -0.04 0.89 0.84 2cw5B1 GLY 84 H 0.13 0.68 0.18 -0.55 8.43 8.87 2cw5B1 GLY 84 HA2 0.06 0.07 0.66 -0.51 4.01 4.29 2cw5B1 GLY 84 HA3 0.20 0.05 0.29 -0.51 4.01 4.05 2cw5B1 ARG 85 H 0.09 0.18 0.11 -0.55 8.46 8.28 2cw5B1 ARG 85 HA -0.24 0.06 0.47 -0.75 4.34 3.87 2cw5B1 ARG 85 HB2 -0.19 0.01 0.15 -0.04 1.90 1.82 2cw5B1 ARG 85 HB3 -1.30 0.02 -0.05 -0.04 1.80 0.42 2cw5B1 ARG 85 HG2 -0.40 0.04 0.04 -0.04 1.67 1.31 2cw5B1 ARG 85 HG3 -0.37 -0.02 0.09 -0.04 1.67 1.32 2cw5B1 ARG 85 HD2 -0.10 -0.04 -0.01 -0.04 3.22 3.03 2cw5B1 ARG 85 HD3 -0.05 0.06 0.06 -0.04 3.22 3.25 2cw5B1 TRP 86 H 0.25 0.04 -0.11 -0.55 7.97 7.60 2cw5B1 TRP 86 HA -0.14 0.07 0.80 -0.75 4.62 4.59 2cw5B1 TRP 86 HB2 -0.31 -0.07 -0.06 -0.04 3.23 2.75 2cw5B1 TRP 86 HB3 -0.42 0.12 0.02 -0.04 3.23 2.91 2cw5B1 TRP 86 HD1 -0.16 0.05 -0.06 -0.04 7.22 7.01 2cw5B1 TRP 86 HE1 -0.12 0.30 -0.72 -0.04 10.20 9.62 2cw5B1 TRP 86 HE3 0.11 -0.07 -0.09 -0.04 7.59 7.50 2cw5B1 TRP 86 HZ2 -0.08 0.18 -0.06 -0.04 7.44 7.44 2cw5B1 TRP 86 HZ3 0.04 0.05 -0.14 -0.04 7.13 7.03 2cw5B1 TRP 86 HH2 -0.05 -0.00 -0.07 -0.04 7.19 7.03 2cw5B1 THR 87 H -0.05 0.76 0.20 -0.55 8.28 8.64 2cw5B1 THR 87 HA -0.04 0.17 1.05 -0.75 4.39 4.83 2cw5B1 THR 87 HB 0.00 0.08 0.01 -0.04 4.32 4.37 2cw5B1 THR 87 HG23 0.07 -0.01 -0.12 -0.04 1.22 1.12 2cw5B1 TYR 88 H 0.17 0.73 0.39 -0.55 8.29 9.04 2cw5B1 TYR 88 HA -0.07 0.31 1.14 -0.75 4.56 5.19 2cw5B1 TYR 88 HB2 0.00 -0.12 0.07 -0.04 3.06 2.97 2cw5B1 TYR 88 HB3 -1.06 -0.03 -0.03 -0.04 2.98 1.82 2cw5B1 TYR 88 HD2 -0.34 0.03 -0.13 -0.04 7.15 6.68 2cw5B1 TYR 88 HE2 0.08 -0.00 -0.16 -0.04 6.85 6.72 2cw5B1 VAL 89 H 0.22 0.68 0.30 -0.55 8.24 8.90 2cw5B1 VAL 89 HA 0.28 0.29 1.00 -0.75 4.13 4.95 2cw5B1 VAL 89 HB 0.19 -0.07 0.08 -0.04 2.12 2.28 2cw5B1 VAL 89 HG13 0.30 0.01 -0.08 -0.04 0.97 1.15 2cw5B1 VAL 89 HG23 0.15 0.00 -0.30 -0.04 0.95 0.76 2cw5B1 GLY 90 H 0.40 0.64 0.32 -0.55 8.43 9.24 2cw5B1 GLY 90 HA2 -0.37 0.16 0.50 -0.51 4.01 3.79 2cw5B1 GLY 90 HA3 0.13 0.02 0.54 -0.51 4.01 4.19 2cw5B1 PRO 91 HA 0.28 0.22 0.60 -0.51 4.44 5.03 2cw5B1 PRO 91 HB2 0.04 0.02 -0.05 -0.04 2.28 2.25 2cw5B1 PRO 91 HB3 0.12 0.05 0.08 -0.04 2.02 2.23 2cw5B1 PRO 91 HG2 -0.17 -0.16 0.08 -0.04 2.03 1.74 2cw5B1 PRO 91 HG3 -0.16 0.05 0.04 -0.04 2.03 1.91 2cw5B1 PRO 91 HD2 -0.32 0.09 0.23 -0.04 3.68 3.65 2cw5B1 PRO 91 HD3 -0.46 0.17 0.23 -0.04 3.65 3.55 2cw5B1 ASP 92 H 0.16 0.71 0.17 -0.55 8.40 8.89 2cw5B1 ASP 92 HA 0.23 0.07 0.63 -0.75 4.63 4.82 2cw5B1 ASP 92 HB2 0.18 0.05 -0.04 -0.04 2.71 2.86 2cw5B1 ASP 92 HB3 0.12 0.02 0.19 -0.04 2.70 2.99 2cw5B1 ASN 93 H 0.01 0.30 -0.40 -0.55 8.53 7.89 2cw5B1 ASN 93 HA 0.03 0.30 0.83 -0.75 4.76 5.17 2cw5B1 ASN 93 HB2 -0.02 0.03 0.09 -0.04 2.88 2.95 2cw5B1 ASN 93 HB3 0.01 0.05 -0.18 -0.04 2.79 2.63 2cw5B1 ASN 93 HD21 -0.11 -0.01 -0.04 -0.04 7.03 6.83 2cw5B1 ASN 93 HD22 -0.04 0.05 -0.03 -0.04 7.74 7.68 2cw5B1 GLY 94 H 0.03 0.19 -0.13 -0.55 8.43 7.97 2cw5B1 GLY 94 HA2 0.01 0.26 0.14 -0.51 4.01 3.91 2cw5B1 GLY 94 HA3 -0.03 0.17 0.41 -0.51 4.01 4.05 2cw5B1 LEU 95 H -0.21 0.08 -0.31 -0.55 8.37 7.38 2cw5B1 LEU 95 HA -0.25 0.08 0.33 -0.75 4.35 3.75 2cw5B1 LEU 95 HB2 -0.33 -0.00 0.01 -0.04 1.64 1.27 2cw5B1 LEU 95 HB3 -0.66 0.04 0.05 -0.04 1.64 1.03 2cw5B1 LEU 95 HG -0.81 0.04 -0.36 -0.04 1.64 0.47 2cw5B1 LEU 95 HD13 -0.26 0.00 -0.13 -0.04 0.93 0.49 2cw5B1 LEU 95 HD23 -0.57 0.01 -0.11 -0.04 0.89 0.19 2cw5B1 PHE 96 H -0.59 0.10 -0.26 -0.55 8.34 7.04 2cw5B1 PHE 96 HA -0.61 0.14 0.51 -0.75 4.62 3.90 2cw5B1 PHE 96 HB2 -2.56 0.04 -0.06 -0.04 3.15 0.53 2cw5B1 PHE 96 HB3 -2.56 0.03 0.04 -0.04 3.06 0.53 2cw5B1 PHE 96 HD2 -0.31 0.01 -0.12 -0.04 7.28 6.82 2cw5B1 PHE 96 HE2 0.05 0.01 -0.23 -0.04 7.38 7.17 2cw5B1 PHE 96 HZ 0.06 0.14 -0.14 -0.04 7.32 7.34 2cw5B1 THR 97 H -0.27 0.47 -0.60 -0.55 8.28 7.33 2cw5B1 THR 97 HA 0.08 0.10 0.25 -0.75 4.39 4.07 2cw5B1 THR 97 HB -0.07 -0.00 0.14 -0.04 4.32 4.34 2cw5B1 THR 97 HG23 0.02 0.04 -0.07 -0.04 1.22 1.17 2cw5B1 LEU 98 H -0.10 0.15 -0.13 -0.55 8.37 7.75 2cw5B1 LEU 98 HA -0.04 0.12 0.46 -0.75 4.35 4.13 2cw5B1 LEU 98 HB2 -0.02 0.14 0.00 -0.04 1.64 1.72 2cw5B1 LEU 98 HB3 -0.32 0.04 -0.02 -0.04 1.64 1.30 2cw5B1 LEU 98 HG -0.10 -0.07 -0.08 -0.04 1.64 1.36 2cw5B1 LEU 98 HD13 -0.17 0.01 -0.22 -0.04 0.93 0.50 2cw5B1 LEU 98 HD23 -0.18 0.01 -0.17 -0.04 0.89 0.50 2cw5B1 ALA 99 H -0.08 0.08 -0.24 -0.55 8.40 7.61 2cw5B1 ALA 99 HA 0.09 0.09 0.34 -0.75 4.34 4.11 2cw5B1 ALA 99 HB3 -0.14 0.02 -0.01 -0.04 1.41 1.24 2cw5B1 TRP 100 H -0.07 0.57 -0.29 -0.55 7.97 7.64 2cw5B1 TRP 100 HA -0.02 0.18 0.22 -0.75 4.62 4.24 2cw5B1 TRP 100 HB2 -0.03 0.11 -0.02 -0.04 3.23 3.25 2cw5B1 TRP 100 HB3 -0.04 -0.03 -0.01 -0.04 3.23 3.11 2cw5B1 TRP 100 HD1 -0.47 0.14 -0.15 -0.04 7.22 6.70 2cw5B1 TRP 100 HE1 -1.81 -0.03 -0.12 -0.04 10.20 8.20 2cw5B1 TRP 100 HE3 -0.01 0.07 -0.21 -0.04 7.59 7.39 2cw5B1 TRP 100 HZ2 -0.18 -0.01 -0.15 -0.04 7.44 7.05 2cw5B1 TRP 100 HZ3 0.04 0.15 -0.19 -0.04 7.13 7.09 2cw5B1 TRP 100 HH2 0.13 -0.05 -0.13 -0.04 7.19 7.10 2cw5B1 LEU 101 H 0.19 0.34 -0.55 -0.55 8.37 7.81 2cw5B1 LEU 101 HA 0.14 0.05 0.49 -0.75 4.35 4.28 2cw5B1 LEU 101 HB2 0.15 0.17 0.11 -0.04 1.64 2.03 2cw5B1 LEU 101 HB3 0.11 -0.05 0.04 -0.04 1.64 1.70 2cw5B1 LEU 101 HG 0.07 0.17 0.09 -0.04 1.64 1.93 2cw5B1 LEU 101 HD13 -0.06 -0.02 0.01 -0.04 0.93 0.82 2cw5B1 LEU 101 HD23 0.06 -0.01 0.00 -0.04 0.89 0.91 2cw5B1 LEU 102 H 0.23 0.31 -0.19 -0.55 8.37 8.18 2cw5B1 LEU 102 HA 0.17 0.05 0.59 -0.75 4.35 4.41 2cw5B1 LEU 102 HB2 0.16 0.15 0.12 -0.04 1.64 2.03 2cw5B1 LEU 102 HB3 0.15 -0.06 0.05 -0.04 1.64 1.74 2cw5B1 LEU 102 HG 0.34 0.02 0.05 -0.04 1.64 2.01 2cw5B1 LEU 102 HD13 -0.35 0.00 0.04 -0.04 0.93 0.58 2cw5B1 LEU 102 HD23 0.09 -0.01 -0.01 -0.04 0.89 0.92 2cw5B1 ASP 103 H 0.28 0.21 -0.30 -0.55 8.40 8.05 2cw5B1 ASP 103 HA 0.23 0.16 0.74 -0.75 4.63 5.01 2cw5B1 ASP 103 HB2 0.67 0.05 -0.21 -0.04 2.71 3.18 2cw5B1 ASP 103 HB3 0.60 0.03 0.01 -0.04 2.70 3.30 2cw5B1 PRO 104 HA 0.01 0.11 0.48 -0.51 4.44 4.53 2cw5B1 PRO 104 HB2 0.01 -0.07 0.09 -0.04 2.28 2.27 2cw5B1 PRO 104 HB3 -0.00 -0.02 0.07 -0.04 2.02 2.03 2cw5B1 PRO 104 HG2 0.05 -0.06 0.03 -0.04 2.03 2.02 2cw5B1 PRO 104 HG3 0.08 0.16 0.06 -0.04 2.03 2.29 2cw5B1 PRO 104 HD2 0.09 0.00 0.06 -0.04 3.68 3.79 2cw5B1 PRO 104 HD3 0.14 0.20 -0.48 -0.04 3.65 3.47 2cw5B1 PRO 105 HA -0.03 0.06 0.35 -0.51 4.44 4.30 2cw5B1 PRO 105 HB2 -0.45 -0.06 -0.04 -0.04 2.28 1.70 2cw5B1 PRO 105 HB3 -0.28 -0.04 0.01 -0.04 2.02 1.67 2cw5B1 PRO 105 HG2 -2.05 -0.04 0.01 -0.04 2.03 -0.09 2cw5B1 PRO 105 HG3 -0.89 0.07 -0.00 -0.04 2.03 1.16 2cw5B1 PRO 105 HD2 -0.50 0.04 0.16 -0.04 3.68 3.34 2cw5B1 PRO 105 HD3 -0.35 0.21 0.28 -0.04 3.65 3.75 2cw5B1 ARG 106 H -0.02 0.82 0.53 -0.55 8.46 9.24 2cw5B1 ARG 106 HA -0.06 0.11 0.78 -0.75 4.34 4.41 2cw5B1 ARG 106 HB2 -0.00 0.08 0.19 -0.04 1.90 2.13 2cw5B1 ARG 106 HB3 -0.02 -0.08 0.06 -0.04 1.80 1.72 2cw5B1 ARG 106 HG2 -0.02 -0.01 0.04 -0.04 1.67 1.63 2cw5B1 ARG 106 HG3 -0.01 0.07 0.05 -0.04 1.67 1.75 2cw5B1 ARG 106 HD2 -0.01 -0.05 0.01 -0.04 3.22 3.12 2cw5B1 ARG 106 HD3 -0.01 -0.03 -0.00 -0.04 3.22 3.14 2cw5B1 ARG 107 H -0.04 0.31 0.34 -0.55 8.46 8.52 2cw5B1 ARG 107 HA -0.17 0.14 0.80 -0.75 4.34 4.35 2cw5B1 ARG 107 HB2 0.06 -0.02 0.03 -0.04 1.90 1.93 2cw5B1 ARG 107 HB3 -0.27 0.02 0.07 -0.04 1.80 1.58 2cw5B1 ARG 107 HG2 -0.08 0.12 0.03 -0.04 1.67 1.70 2cw5B1 ARG 107 HG3 -0.00 -0.04 -0.29 -0.04 1.67 1.30 2cw5B1 ARG 107 HD2 0.00 -0.01 0.01 -0.04 3.22 3.18 2cw5B1 ARG 107 HD3 0.03 -0.01 -0.02 -0.04 3.22 3.18 2cw5B1 ALA 108 H -0.44 0.31 0.27 -0.55 8.40 7.99 2cw5B1 ALA 108 HA -0.07 0.25 0.99 -0.75 4.34 4.76 2cw5B1 ALA 108 HB3 -0.17 0.04 -0.10 -0.04 1.41 1.14 2cw5B1 PHE 109 H 0.15 0.69 0.38 -0.55 8.34 9.01 2cw5B1 PHE 109 HA 0.01 0.14 0.95 -0.75 4.62 4.98 2cw5B1 PHE 109 HB2 0.04 -0.06 -0.08 -0.04 3.15 3.01 2cw5B1 PHE 109 HB3 0.02 0.16 -0.24 -0.04 3.06 2.96 2cw5B1 PHE 109 HD2 0.02 0.10 -0.30 -0.04 7.28 7.07 2cw5B1 PHE 109 HE2 0.01 -0.02 -0.13 -0.04 7.38 7.20 2cw5B1 PHE 109 HZ 0.01 -0.02 -0.09 -0.04 7.32 7.18 2cw5B1 LEU 110 H 0.14 0.80 0.15 -0.55 8.37 8.91 2cw5B1 LEU 110 HA 0.10 0.12 0.72 -0.75 4.35 4.54 2cw5B1 LEU 110 HB2 0.05 -0.05 0.02 -0.04 1.64 1.62 2cw5B1 LEU 110 HB3 0.06 0.04 0.12 -0.04 1.64 1.83 2cw5B1 LEU 110 HG 0.04 0.03 -0.43 -0.04 1.64 1.24 2cw5B1 LEU 110 HD13 0.05 0.03 0.05 -0.04 0.93 1.02 2cw5B1 LEU 110 HD23 0.03 -0.03 -0.04 -0.04 0.89 0.81 2cw5B1 LEU 111 H 0.08 0.58 0.21 -0.55 8.37 8.70 2cw5B1 LEU 111 HA 0.03 0.26 0.68 -0.75 4.35 4.57 2cw5B1 LEU 111 HB2 0.02 -0.13 0.02 -0.04 1.64 1.51 2cw5B1 LEU 111 HB3 0.00 0.10 -0.06 -0.04 1.64 1.64 2cw5B1 LEU 111 HG 0.15 -0.05 -0.45 -0.04 1.64 1.24 2cw5B1 LEU 111 HD13 0.17 -0.00 -0.18 -0.04 0.93 0.88 2cw5B1 LEU 111 HD23 0.08 0.02 -0.29 -0.04 0.89 0.66 2cw5B1 GLU 112 H -0.00 0.46 0.17 -0.55 8.60 8.68 2cw5B1 GLU 112 HA -0.01 0.17 0.72 -0.75 4.29 4.41 2cw5B1 GLU 112 HB2 -0.00 0.13 0.15 -0.04 2.09 2.33 2cw5B1 GLU 112 HB3 -0.01 -0.03 0.10 -0.04 1.99 2.01 2cw5B1 GLU 112 HG2 0.01 -0.02 -0.01 -0.04 2.34 2.27 2cw5B1 GLU 112 HG3 0.02 0.01 -0.17 -0.04 2.34 2.16 2cw5B1 GLY 134 HA2 -0.03 0.05 0.19 -0.51 4.01 3.71 2cw5B1 GLY 134 HA3 -0.03 -0.07 0.26 -0.51 4.01 3.65 2cw5B1 ARG 135 H -0.02 0.15 0.13 -0.55 8.46 8.17 2cw5B1 ARG 135 HA 0.23 0.07 0.44 -0.75 4.34 4.32 2cw5B1 ARG 135 HB2 0.08 -0.02 0.07 -0.04 1.90 1.99 2cw5B1 ARG 135 HB3 -0.01 0.02 0.13 -0.04 1.80 1.90 2cw5B1 ARG 135 HG2 -0.14 -0.02 0.10 -0.04 1.67 1.57 2cw5B1 ARG 135 HG3 -0.19 0.05 -0.18 -0.04 1.67 1.32 2cw5B1 ARG 135 HD2 -1.48 -0.04 -0.03 -0.04 3.22 1.64 2cw5B1 ARG 135 HD3 -0.35 0.02 0.02 -0.04 3.22 2.87 2cw5B1 ASP 136 H 0.01 0.10 -0.37 -0.55 8.40 7.60 2cw5B1 ASP 136 HA 0.21 0.04 0.43 -0.75 4.63 4.56 2cw5B1 ASP 136 HB2 0.02 0.08 -0.04 -0.04 2.71 2.73 2cw5B1 ASP 136 HB3 0.06 0.05 0.06 -0.04 2.70 2.84 2cw5B1 VAL 137 H -0.21 0.45 -0.37 -0.55 8.24 7.55 2cw5B1 VAL 137 HA -0.09 0.12 0.54 -0.75 4.13 3.95 2cw5B1 VAL 137 HB -0.61 0.02 0.02 -0.04 2.12 1.50 2cw5B1 VAL 137 HG13 -0.15 0.02 -0.14 -0.04 0.97 0.66 2cw5B1 VAL 137 HG23 -0.14 0.00 -0.11 -0.04 0.95 0.66 2cw5B1 PHE 138 H -0.20 0.18 -0.16 -0.55 8.34 7.60 2cw5B1 PHE 138 HA 0.07 0.13 0.39 -0.75 4.62 4.46 2cw5B1 PHE 138 HB2 0.10 -0.03 0.09 -0.04 3.15 3.27 2cw5B1 PHE 138 HB3 0.10 0.03 -0.12 -0.04 3.06 3.02 2cw5B1 PHE 138 HD2 0.12 0.07 0.02 -0.04 7.28 7.45 2cw5B1 PHE 138 HE2 0.08 -0.03 -0.15 -0.04 7.38 7.25 2cw5B1 PHE 138 HZ 0.05 0.01 -0.08 -0.04 7.32 7.26 2cw5B1 ALA 139 H 0.18 0.12 -0.07 -0.55 8.40 8.08 2cw5B1 ALA 139 HA 0.02 0.02 0.30 -0.75 4.34 3.92 2cw5B1 ALA 139 HB3 -0.03 0.01 0.03 -0.04 1.41 1.39 2cw5B1 PRO 140 HA 0.03 0.05 0.36 -0.51 4.44 4.37 2cw5B1 PRO 140 HB2 0.01 0.13 -0.00 -0.04 2.28 2.37 2cw5B1 PRO 140 HB3 0.01 0.02 0.03 -0.04 2.02 2.04 2cw5B1 PRO 140 HG2 0.01 0.11 0.05 -0.04 2.03 2.16 2cw5B1 PRO 140 HG3 0.01 -0.03 -0.00 -0.04 2.03 1.97 2cw5B1 PRO 140 HD2 0.03 0.16 -0.45 -0.04 3.68 3.38 2cw5B1 PRO 140 HD3 0.04 -0.05 -0.00 -0.04 3.65 3.60 2cw5B1 ALA 141 H 0.06 0.34 -0.30 -0.55 8.40 7.95 2cw5B1 ALA 141 HA 0.02 0.05 0.42 -0.75 4.34 4.07 2cw5B1 ALA 141 HB3 0.08 0.03 0.06 -0.04 1.41 1.54 2cw5B1 ALA 142 H 0.10 0.50 -0.10 -0.55 8.40 8.35 2cw5B1 ALA 142 HA 0.09 0.02 0.33 -0.75 4.34 4.03 2cw5B1 ALA 142 HB3 0.06 0.00 -0.00 -0.04 1.41 1.43 2cw5B1 ALA 143 H 0.05 0.55 -0.18 -0.55 8.40 8.27 2cw5B1 ALA 143 HA 0.02 0.08 0.37 -0.75 4.34 4.06 2cw5B1 ALA 143 HB3 0.02 0.02 -0.05 -0.04 1.41 1.37 2cw5B1 HIS 144 H 0.14 0.49 -0.19 -0.55 8.41 8.31 2cw5B1 HIS 144 HA -0.01 -0.01 0.36 -0.75 4.63 4.22 2cw5B1 HIS 144 HB2 -0.01 0.03 0.09 -0.04 3.26 3.34 2cw5B1 HIS 144 HB3 -0.00 0.17 0.15 -0.04 3.20 3.47 2cw5B1 HIS 144 HD2 -0.05 0.03 -0.43 -0.04 6.97 6.48 2cw5B1 HIS 144 HE1 -0.03 -0.07 -0.10 -0.04 7.75 7.50 2cw5B1 LEU 145 H 0.14 0.50 -0.22 -0.55 8.37 8.24 2cw5B1 LEU 145 HA 0.04 0.10 0.44 -0.75 4.35 4.17 2cw5B1 LEU 145 HB2 0.08 0.06 0.05 -0.04 1.64 1.79 2cw5B1 LEU 145 HB3 0.06 -0.02 -0.04 -0.04 1.64 1.60 2cw5B1 LEU 145 HG 0.14 0.07 -0.04 -0.04 1.64 1.77 2cw5B1 LEU 145 HD13 0.10 -0.04 -0.13 -0.04 0.93 0.81 2cw5B1 LEU 145 HD23 0.06 0.01 -0.08 -0.04 0.89 0.83 2cw5B1 ALA 146 H 0.04 0.46 -0.22 -0.55 8.40 8.13 2cw5B1 ALA 146 HA 0.02 0.07 0.41 -0.75 4.34 4.09 2cw5B1 ALA 146 HB3 0.02 0.02 0.12 -0.04 1.41 1.52 2cw5B1 LEU 147 H -0.03 0.42 -0.24 -0.55 8.37 7.97 2cw5B1 LEU 147 HA -0.03 0.06 0.52 -0.75 4.35 4.14 2cw5B1 LEU 147 HB2 -0.10 0.09 0.11 -0.04 1.64 1.69 2cw5B1 LEU 147 HB3 -0.07 -0.12 0.10 -0.04 1.64 1.51 2cw5B1 LEU 147 HG -0.02 0.15 0.06 -0.04 1.64 1.78 2cw5B1 LEU 147 HD13 -0.03 0.00 0.05 -0.04 0.93 0.91 2cw5B1 LEU 147 HD23 -0.02 -0.04 0.04 -0.04 0.89 0.83 2cw5B1 GLY 148 H -0.05 0.34 -0.66 -0.55 8.43 7.52 2cw5B1 GLY 148 HA2 -0.04 0.08 0.27 -0.51 4.01 3.80 2cw5B1 GLY 148 HA3 -0.05 0.02 0.51 -0.51 4.01 3.98 2cw5B1 LEU 149 H -0.23 0.38 -0.07 -0.55 8.37 7.89 2cw5B1 LEU 149 HA -0.16 0.04 0.48 -0.75 4.35 3.96 2cw5B1 LEU 149 HB2 -1.22 0.12 0.02 -0.04 1.64 0.52 2cw5B1 LEU 149 HB3 -0.55 -0.05 0.00 -0.04 1.64 1.00 2cw5B1 LEU 149 HG -0.22 0.05 -0.10 -0.04 1.64 1.33 2cw5B1 LEU 149 HD13 -0.23 -0.02 0.02 -0.04 0.93 0.66 2cw5B1 LEU 149 HD23 -0.11 -0.02 -0.01 -0.04 0.89 0.71 2cw5B1 PRO 150 HA -0.03 0.15 0.42 -0.51 4.44 4.48 2cw5B1 PRO 150 HB2 -0.01 -0.13 -0.00 -0.04 2.28 2.10 2cw5B1 PRO 150 HB3 -0.01 0.05 0.12 -0.04 2.02 2.14 2cw5B1 PRO 150 HG2 0.05 -0.03 0.07 -0.04 2.03 2.08 2cw5B1 PRO 150 HG3 0.00 0.02 0.07 -0.04 2.03 2.08 2cw5B1 PRO 150 HD2 -0.08 0.08 0.19 -0.04 3.68 3.84 2cw5B1 PRO 150 HD3 -0.04 0.16 0.20 -0.04 3.65 3.92 2cw5B1 PRO 151 HA -0.21 0.14 0.39 -0.51 4.44 4.25 2cw5B1 PRO 151 HB2 -1.31 0.00 -0.09 -0.04 2.28 0.84 2cw5B1 PRO 151 HB3 -0.22 0.10 0.04 -0.04 2.02 1.90 2cw5B1 PRO 151 HG2 -0.26 -0.08 0.06 -0.04 2.03 1.71 2cw5B1 PRO 151 HG3 -0.04 0.07 0.02 -0.04 2.03 2.04 2cw5B1 PRO 151 HD2 -0.05 0.04 0.20 -0.04 3.68 3.82 2cw5B1 PRO 151 HD3 -0.05 0.28 0.15 -0.04 3.65 3.99 2cw5B1 GLU 152 H -0.22 0.12 -0.20 -0.55 8.60 7.76 2cw5B1 GLU 152 HA -0.19 0.12 0.34 -0.75 4.29 3.81 2cw5B1 GLU 152 HB2 -0.03 -0.00 -0.04 -0.04 2.09 1.99 2cw5B1 GLU 152 HB3 0.02 0.01 0.04 -0.04 1.99 2.02 2cw5B1 GLU 152 HG2 0.07 -0.01 0.02 -0.04 2.34 2.38 2cw5B1 GLU 152 HG3 0.19 0.01 0.04 -0.04 2.34 2.54 2cw5B1 GLY 153 H -0.08 0.36 -0.77 -0.55 8.43 7.39 2cw5B1 GLY 153 HA2 -0.04 0.02 0.42 -0.51 4.01 3.90 2cw5B1 GLY 153 HA3 -0.02 0.06 0.21 -0.51 4.01 3.74 2cw5B1 LEU 154 H -0.26 0.70 -0.19 -0.55 8.37 8.07 2cw5B1 LEU 154 HA -0.26 0.04 0.52 -0.75 4.35 3.90 2cw5B1 LEU 154 HB2 -0.16 0.09 0.01 -0.04 1.64 1.53 2cw5B1 LEU 154 HB3 -0.08 -0.09 -0.05 -0.04 1.64 1.38 2cw5B1 LEU 154 HG -0.31 0.03 0.02 -0.04 1.64 1.33 2cw5B1 LEU 154 HD13 -0.04 -0.02 -0.07 -0.04 0.93 0.76 2cw5B1 LEU 154 HD23 -0.31 -0.01 -0.04 -0.04 0.89 0.50 2cw5B1 GLY 155 H -0.05 0.29 -0.14 -0.55 8.43 7.99 2cw5B1 GLY 155 HA2 0.01 -0.05 0.24 -0.51 4.01 3.71 2cw5B1 GLY 155 HA3 0.04 0.31 0.66 -0.51 4.01 4.51 2cw5B1 PRO 156 HA 0.10 0.01 0.54 -0.51 4.44 4.58 2cw5B1 PRO 156 HB2 0.04 -0.01 0.03 -0.04 2.28 2.30 2cw5B1 PRO 156 HB3 0.04 0.03 0.11 -0.04 2.02 2.15 2cw5B1 PRO 156 HG2 0.03 0.01 0.07 -0.04 2.03 2.09 2cw5B1 PRO 156 HG3 0.03 0.03 0.08 -0.04 2.03 2.13 2cw5B1 PRO 156 HD2 0.05 0.10 0.17 -0.04 3.68 3.97 2cw5B1 PRO 156 HD3 0.03 0.10 0.21 -0.04 3.65 3.96 2cw5B1 GLU 157 H 0.10 0.06 0.25 -0.55 8.60 8.47 2cw5B1 GLU 157 HA -0.29 0.20 0.81 -0.75 4.29 4.25 2cw5B1 GLU 157 HB2 0.01 -0.00 0.15 -0.04 2.09 2.20 2cw5B1 GLU 157 HB3 -0.02 -0.08 0.18 -0.04 1.99 2.02 2cw5B1 GLU 157 HG2 -0.20 -0.08 -0.20 -0.04 2.34 1.82 2cw5B1 GLU 157 HG3 -0.62 0.25 0.20 -0.04 2.34 2.12 2cw5B1 VAL 158 H -0.28 0.64 0.22 -0.55 8.24 8.28 2cw5B1 VAL 158 HA -0.07 0.16 0.81 -0.75 4.13 4.28 2cw5B1 VAL 158 HB -0.05 0.02 -0.02 -0.04 2.12 2.03 2cw5B1 VAL 158 HG13 -0.01 0.01 -0.27 -0.04 0.97 0.67 2cw5B1 VAL 158 HG23 -0.07 -0.00 -0.37 -0.04 0.95 0.47 2cw5B1 PRO 159 HA -0.11 0.08 0.51 -0.51 4.44 4.41 2cw5B1 PRO 159 HB2 -0.06 -0.06 0.04 -0.04 2.28 2.16 2cw5B1 PRO 159 HB3 -0.06 0.05 0.10 -0.04 2.02 2.06 2cw5B1 PRO 159 HG2 -0.04 0.05 0.06 -0.04 2.03 2.06 2cw5B1 PRO 159 HG3 -0.06 0.07 0.05 -0.04 2.03 2.05 2cw5B1 PRO 159 HD2 -0.05 0.10 0.16 -0.04 3.68 3.85 2cw5B1 PRO 159 HD3 -0.05 0.19 0.19 -0.04 3.65 3.93 2cw5B1 VAL 160 H -0.13 0.22 0.16 -0.55 8.24 7.93 2cw5B1 VAL 160 HA -0.21 0.09 0.30 -0.75 4.13 3.56 2cw5B1 VAL 160 HB -0.25 0.07 -0.06 -0.04 2.12 1.84 2cw5B1 VAL 160 HG13 -0.20 0.04 -0.39 -0.04 0.97 0.38 2cw5B1 VAL 160 HG23 -0.12 0.02 -0.03 -0.04 0.95 0.79 2cw5B1 GLU 161 H -0.09 0.01 -0.29 -0.55 8.60 7.69 2cw5B1 GLU 161 HA -0.06 0.14 0.35 -0.75 4.29 3.97 2cw5B1 GLU 161 HB2 -0.03 0.03 0.04 -0.04 2.09 2.09 2cw5B1 GLU 161 HB3 -0.05 -0.00 0.05 -0.04 1.99 1.95 2cw5B1 GLU 161 HG2 -0.05 -0.13 -0.05 -0.04 2.34 2.07 2cw5B1 GLU 161 HG3 -0.04 0.07 -0.26 -0.04 2.34 2.07 2cw5B1 THR 162 H -0.06 0.35 -0.58 -0.55 8.28 7.43 2cw5B1 THR 162 HA -0.01 0.13 0.56 -0.75 4.39 4.31 2cw5B1 THR 162 HB -0.01 -0.05 0.06 -0.04 4.32 4.29 2cw5B1 THR 162 HG23 -0.03 -0.04 -0.06 -0.04 1.22 1.06 2cw5B1 LEU 163 H -0.08 0.42 -0.44 -0.55 8.37 7.72 2cw5B1 LEU 163 HA 0.05 -0.06 0.41 -0.75 4.35 4.00 2cw5B1 LEU 163 HB2 -0.22 0.17 0.05 -0.04 1.64 1.59 2cw5B1 LEU 163 HB3 -0.01 -0.05 -0.10 -0.04 1.64 1.44 2cw5B1 LEU 163 HG -0.23 0.01 -0.01 -0.04 1.64 1.36 2cw5B1 LEU 163 HD13 -1.09 -0.00 -0.06 -0.04 0.93 -0.26 2cw5B1 LEU 163 HD23 0.02 -0.02 -0.12 -0.04 0.89 0.73 2cw5B1 ALA 164 H 0.16 0.02 0.09 -0.55 8.40 8.13 2cw5B1 ALA 164 HA 0.08 0.11 0.33 -0.75 4.34 4.11 2cw5B1 ALA 164 HB3 0.09 -0.04 -0.10 -0.04 1.41 1.32 2cw5B1 ARG 165 H 0.07 0.24 0.12 -0.55 8.46 8.34 2cw5B1 ARG 165 HA 0.12 0.04 0.91 -0.75 4.34 4.66 2cw5B1 ARG 165 HB2 0.06 -0.01 -0.02 -0.04 1.90 1.89 2cw5B1 ARG 165 HB3 0.10 0.03 0.04 -0.04 1.80 1.93 2cw5B1 ARG 165 HG2 0.13 0.12 -0.42 -0.04 1.67 1.45 2cw5B1 ARG 165 HG3 0.08 -0.00 -0.08 -0.04 1.67 1.63 2cw5B1 ARG 165 HD2 0.19 -0.00 -0.07 -0.04 3.22 3.29 2cw5B1 ARG 165 HD3 0.39 -0.05 -0.19 -0.04 3.22 3.33 2cw5B1 LEU 166 H 0.01 0.08 0.17 -0.55 8.37 8.09 2cw5B1 LEU 166 HA -0.00 0.13 0.51 -0.75 4.35 4.24 2cw5B1 LEU 166 HB2 -0.03 -0.04 0.09 -0.04 1.64 1.62 2cw5B1 LEU 166 HB3 -0.03 0.02 -0.01 -0.04 1.64 1.59 2cw5B1 LEU 166 HG -0.05 0.01 0.05 -0.04 1.64 1.61 2cw5B1 LEU 166 HD13 -0.06 -0.03 -0.15 -0.04 0.93 0.65 2cw5B1 LEU 166 HD23 -0.03 0.02 -0.04 -0.04 0.89 0.80 2cw5B1 PRO 167 HA -0.00 0.16 0.42 -0.51 4.44 4.51 2cw5B1 PRO 167 HB2 -0.01 0.01 0.19 -0.04 2.28 2.43 2cw5B1 PRO 167 HB3 -0.00 0.04 0.10 -0.04 2.02 2.12 2cw5B1 PRO 167 HG2 -0.02 0.00 -0.01 -0.04 2.03 1.97 2cw5B1 PRO 167 HG3 -0.01 0.03 0.07 -0.04 2.03 2.07 2cw5B1 PRO 167 HD2 -0.01 0.01 0.15 -0.04 3.68 3.79 2cw5B1 PRO 167 HD3 -0.00 0.18 0.17 -0.04 3.65 3.96 2cw5B1 LEU 168 H -0.02 0.59 -0.55 -0.55 8.37 7.84 2cw5B1 LEU 168 HA -0.04 0.15 0.85 -0.75 4.35 4.56 2cw5B1 LEU 168 HB2 -0.05 -0.01 -0.07 -0.04 1.64 1.47 2cw5B1 LEU 168 HB3 -0.07 0.02 -0.16 -0.04 1.64 1.39 2cw5B1 LEU 168 HG -0.04 -0.06 -0.25 -0.04 1.64 1.25 2cw5B1 LEU 168 HD13 -0.06 -0.02 -0.07 -0.04 0.93 0.73 2cw5B1 LEU 168 HD23 -0.06 0.03 -0.06 -0.04 0.89 0.76 2cw5B1 ALA 169 H -0.05 0.21 0.11 -0.55 8.40 8.13 2cw5B1 ALA 169 HA -0.03 0.18 0.81 -0.75 4.34 4.54 2cw5B1 ALA 169 HB3 -0.02 0.02 -0.09 -0.04 1.41 1.28 2cw5B1 LEU 170 H -0.05 0.22 0.12 -0.55 8.37 8.11 2cw5B1 LEU 170 HA -0.07 0.20 0.88 -0.75 4.35 4.60 2cw5B1 LEU 170 HB2 -0.05 0.00 0.14 -0.04 1.64 1.69 2cw5B1 LEU 170 HB3 -0.07 0.08 0.00 -0.04 1.64 1.61 2cw5B1 LEU 170 HG -0.19 -0.05 -0.06 -0.04 1.64 1.30 2cw5B1 LEU 170 HD13 -0.57 0.02 -0.06 -0.04 0.93 0.28 2cw5B1 LEU 170 HD23 -0.21 -0.00 -0.13 -0.04 0.89 0.50 2cw5B1 THR 171 H -0.03 0.53 0.34 -0.55 8.28 8.57 2cw5B1 THR 171 HA -0.00 0.26 1.04 -0.75 4.39 4.94 2cw5B1 THR 171 HB -0.01 0.07 -0.11 -0.04 4.32 4.23 2cw5B1 THR 171 HG23 -0.02 0.06 0.01 -0.04 1.22 1.22 2cw5B1 GLU 172 H 0.00 0.25 0.18 -0.55 8.60 8.49 2cw5B1 GLU 172 HA 0.01 0.01 0.67 -0.75 4.29 4.23 2cw5B1 GLU 172 HB2 0.01 0.05 0.10 -0.04 2.09 2.21 2cw5B1 GLU 172 HB3 0.01 0.00 0.12 -0.04 1.99 2.08 2cw5B1 GLU 172 HG2 0.02 0.03 -0.05 -0.04 2.34 2.31 2cw5B1 GLU 172 HG3 0.02 -0.01 -0.05 -0.04 2.34 2.26 2cw5B1 GLY 173 H -0.01 -0.01 -0.31 -0.55 8.43 7.56 2cw5B1 GLY 173 HA2 -0.01 0.08 0.02 -0.51 4.01 3.59 2cw5B1 GLY 173 HA3 -0.00 0.20 0.66 -0.51 4.01 4.35 2cw5B1 PRO 174 HA -0.00 0.07 0.43 -0.51 4.44 4.43 2cw5B1 PRO 174 HB2 0.00 0.13 0.16 -0.04 2.28 2.53 2cw5B1 PRO 174 HB3 0.00 0.07 0.16 -0.04 2.02 2.21 2cw5B1 PRO 174 HG2 -0.00 -0.01 0.07 -0.04 2.03 2.05 2cw5B1 PRO 174 HG3 0.00 0.05 0.10 -0.04 2.03 2.15 2cw5B1 PRO 174 HD2 -0.00 0.10 0.37 -0.04 3.68 4.11 2cw5B1 PRO 174 HD3 0.00 0.11 0.20 -0.04 3.65 3.92 2cw5B1 GLU 175 H -0.01 0.20 -0.04 -0.55 8.60 8.20 2cw5B1 GLU 175 HA -0.01 0.28 1.14 -0.75 4.29 4.95 2cw5B1 GLU 175 HB2 -0.01 -0.01 0.10 -0.04 2.09 2.12 2cw5B1 GLU 175 HB3 -0.01 0.07 0.05 -0.04 1.99 2.05 2cw5B1 GLU 175 HG2 -0.01 0.04 -0.05 -0.04 2.34 2.28 2cw5B1 GLU 175 HG3 -0.00 -0.05 -0.04 -0.04 2.34 2.21 2cw5B1 GLY 176 H -0.02 0.67 0.39 -0.55 8.43 8.92 2cw5B1 GLY 176 HA2 -0.03 0.19 0.64 -0.51 4.01 4.30 2cw5B1 GLY 176 HA3 -0.04 -0.07 0.30 -0.51 4.01 3.69 2cw5B1 GLU 177 H -0.06 0.13 0.24 -0.55 8.60 8.36 2cw5B1 GLU 177 HA -0.05 0.11 0.60 -0.75 4.29 4.19 2cw5B1 GLU 177 HB2 -0.06 0.03 -0.00 -0.04 2.09 2.02 2cw5B1 GLU 177 HB3 -0.04 0.12 -0.25 -0.04 1.99 1.77 2cw5B1 GLU 177 HG2 -0.06 -0.05 -0.05 -0.04 2.34 2.13 2cw5B1 GLU 177 HG3 -0.09 -0.04 -0.47 -0.04 2.34 1.70 2cw5B1 VAL 178 H -0.09 0.20 0.08 -0.55 8.24 7.88 2cw5B1 VAL 178 HA -0.20 0.10 0.56 -0.75 4.13 3.84 2cw5B1 VAL 178 HB -0.15 -0.02 0.20 -0.04 2.12 2.10 2cw5B1 VAL 178 HG13 -0.62 -0.01 -0.27 -0.04 0.97 0.03 2cw5B1 VAL 178 HG23 -0.09 0.01 -0.08 -0.04 0.95 0.76 2cw5B1 LEU 179 H -0.23 0.56 0.47 -0.55 8.37 8.62 2cw5B1 LEU 179 HA -0.14 0.04 0.48 -0.75 4.35 3.97 2cw5B1 LEU 179 HB2 -0.16 -0.03 -0.13 -0.04 1.64 1.27 2cw5B1 LEU 179 HB3 -0.26 0.02 0.00 -0.04 1.64 1.36 2cw5B1 LEU 179 HG -0.11 -0.04 -0.09 -0.04 1.64 1.37 2cw5B1 LEU 179 HD13 -0.10 0.01 -0.15 -0.04 0.93 0.64 2cw5B1 LEU 179 HD23 -0.10 0.00 -0.32 -0.04 0.89 0.44 2cw5B1 THR 180 H -0.38 0.44 0.23 -0.55 8.28 8.02 2cw5B1 THR 180 HA -0.26 0.10 0.45 -0.75 4.39 3.92 2cw5B1 THR 180 HB -0.11 0.07 -0.28 -0.04 4.32 3.95 2cw5B1 THR 180 HG23 -0.28 0.00 -0.18 -0.04 1.22 0.72 2cw5B1 PHE 181 H 0.07 0.23 0.19 -0.55 8.34 8.28 2cw5B1 PHE 181 HA -0.06 0.23 1.05 -0.75 4.62 5.08 2cw5B1 PHE 181 HB2 -0.03 -0.00 -0.02 -0.04 3.15 3.06 2cw5B1 PHE 181 HB3 -0.02 0.01 0.04 -0.04 3.06 3.05 2cw5B1 PHE 181 HD2 -0.02 0.05 -0.24 -0.04 7.28 7.02 2cw5B1 PHE 181 HE2 -0.02 -0.06 -0.19 -0.04 7.38 7.06 2cw5B1 PHE 181 HZ -0.02 -0.04 -0.67 -0.04 7.32 6.55 2cw5B1 ASP 182 H 0.16 0.34 0.21 -0.55 8.40 8.56 2cw5B1 ASP 182 HA 0.03 0.28 0.89 -0.75 4.63 5.08 2cw5B1 ASP 182 HB2 0.03 0.01 0.18 -0.04 2.71 2.89 2cw5B1 ASP 182 HB3 0.09 0.09 0.01 -0.04 2.70 2.85 2cw5B1 ARG 183 H -0.21 0.21 0.16 -0.55 8.46 8.07 2cw5B1 ARG 183 HA -0.13 0.14 0.36 -0.75 4.34 3.96 2cw5B1 ARG 183 HB2 -0.26 0.04 0.15 -0.04 1.90 1.78 2cw5B1 ARG 183 HB3 -0.76 -0.00 0.06 -0.04 1.80 1.05 2cw5B1 ARG 183 HG2 -0.22 0.01 -0.01 -0.04 1.67 1.42 2cw5B1 ARG 183 HG3 -0.14 0.02 0.09 -0.04 1.67 1.60 2cw5B1 ARG 183 HD2 -0.15 0.02 0.02 -0.04 3.22 3.07 2cw5B1 ARG 183 HD3 -0.23 -0.00 -0.01 -0.04 3.22 2.94 2cw5B1 PHE 184 H -0.24 -0.01 -0.30 -0.55 8.34 7.24 2cw5B1 PHE 184 HA 0.03 0.22 0.60 -0.75 4.62 4.71 2cw5B1 PHE 184 HB2 0.07 -0.12 0.04 -0.04 3.15 3.10 2cw5B1 PHE 184 HB3 0.05 0.12 0.13 -0.04 3.06 3.32 2cw5B1 PHE 184 HD2 0.04 0.02 -0.02 -0.04 7.28 7.28 2cw5B1 PHE 184 HE2 0.02 0.04 -0.02 -0.04 7.38 7.37 2cw5B1 PHE 184 HZ 0.01 0.04 -0.01 -0.04 7.32 7.31 2cw5B1 GLY 185 H 0.08 0.51 -0.28 -0.55 8.43 8.19 2cw5B1 GLY 185 HA2 0.01 0.12 0.31 -0.51 4.01 3.94 2cw5B1 GLY 185 HA3 0.06 0.03 0.74 -0.51 4.01 4.32 2cw5B1 ASN 186 H 0.23 -0.03 -0.16 -0.55 8.53 8.03 2cw5B1 ASN 186 HA 0.18 0.17 0.64 -0.75 4.76 5.00 2cw5B1 ASN 186 HB2 0.21 -0.12 0.03 -0.04 2.88 2.96 2cw5B1 ASN 186 HB3 0.19 0.11 -0.06 -0.04 2.79 2.98 2cw5B1 ASN 186 HD21 0.25 0.08 -0.02 -0.04 7.03 7.30 2cw5B1 ASN 186 HD22 0.36 -0.05 -0.02 -0.04 7.74 7.99 2cw5B1 ALA 187 H 0.09 0.69 0.41 -0.55 8.40 9.04 2cw5B1 ALA 187 HA -0.12 0.20 0.97 -0.75 4.34 4.63 2cw5B1 ALA 187 HB3 -0.02 -0.00 0.02 -0.04 1.41 1.36 2cw5B1 ILE 188 H -0.34 0.72 0.34 -0.55 8.25 8.42 2cw5B1 ILE 188 HA -0.18 0.15 0.83 -0.75 4.18 4.23 2cw5B1 ILE 188 HB -0.47 -0.09 0.04 -0.04 1.89 1.33 2cw5B1 ILE 188 HG12 -0.17 0.02 -0.13 -0.04 1.49 1.17 2cw5B1 ILE 188 HG13 -0.16 -0.09 -0.32 -0.04 1.21 0.61 2cw5B1 ILE 188 HG23 -0.52 0.03 -0.16 -0.04 0.93 0.24 2cw5B1 ILE 188 HD13 -0.59 -0.00 -0.22 -0.04 0.88 0.02 2cw5B1 THR 189 H -0.14 0.67 0.27 -0.55 8.28 8.53 2cw5B1 THR 189 HA -0.16 0.05 1.15 -0.75 4.39 4.66 2cw5B1 THR 189 HB -0.09 -0.05 0.12 -0.04 4.32 4.26 2cw5B1 THR 189 HG23 -0.12 0.02 -0.22 -0.04 1.22 0.87 2cw5B1 THR 190 H -0.09 0.27 0.31 -0.55 8.28 8.22 2cw5B1 THR 190 HA -0.10 0.20 0.68 -0.75 4.39 4.42 2cw5B1 THR 190 HB -0.07 0.22 0.36 -0.04 4.32 4.79 2cw5B1 THR 190 HG23 -0.10 0.01 -0.03 -0.04 1.22 1.06 2cw5B1 LEU 191 H -0.06 0.00 -0.25 -0.55 8.37 7.52 2cw5B1 LEU 191 HA -0.02 0.28 0.75 -0.75 4.35 4.60 2cw5B1 LEU 191 HB2 -0.04 -0.07 0.06 -0.04 1.64 1.56 2cw5B1 LEU 191 HB3 -0.02 0.10 -0.03 -0.04 1.64 1.65 2cw5B1 LEU 191 HG -0.04 -0.17 -0.10 -0.04 1.64 1.28 2cw5B1 LEU 191 HD13 -0.03 0.02 -0.18 -0.04 0.93 0.70 2cw5B1 LEU 191 HD23 -0.02 0.05 -0.35 -0.04 0.89 0.53 2cw5B1 LEU 192 H 0.00 0.70 0.38 -0.55 8.37 8.90 2cw5B1 LEU 192 HA 0.04 0.30 0.73 -0.75 4.35 4.67 2cw5B1 LEU 192 HB2 0.02 -0.07 -0.11 -0.04 1.64 1.44 2cw5B1 LEU 192 HB3 0.05 0.01 0.09 -0.04 1.64 1.75 2cw5B1 LEU 192 HG 0.01 0.00 -0.18 -0.04 1.64 1.43 2cw5B1 LEU 192 HD13 0.04 -0.03 -0.22 -0.04 0.93 0.68 2cw5B1 LEU 192 HD23 0.10 0.03 -0.08 -0.04 0.89 0.90 2cw5B1 ARG 193 H 0.00 0.10 -0.15 -0.55 8.46 7.87 2cw5B1 ARG 193 HA 0.02 0.21 0.84 -0.75 4.34 4.66 2cw5B1 ARG 193 HB2 0.01 -0.04 -0.00 -0.04 1.90 1.82 2cw5B1 ARG 193 HB3 0.01 0.04 -0.10 -0.04 1.80 1.71 2cw5B1 ARG 193 HG2 0.00 -0.01 0.05 -0.04 1.67 1.68 2cw5B1 ARG 193 HG3 -0.00 -0.07 -0.10 -0.04 1.67 1.45 2cw5B1 ARG 193 HD2 0.00 0.03 0.06 -0.04 3.22 3.27 2cw5B1 ARG 193 HD3 0.00 -0.08 -0.03 -0.04 3.22 3.07 2cw5B1 ALA 194 H 0.01 0.20 -0.10 -0.55 8.40 7.97 2cw5B1 ALA 194 HA -0.02 0.18 0.63 -0.75 4.34 4.38 2cw5B1 ALA 194 HB3 -0.00 0.01 -0.16 -0.04 1.41 1.22 2cw5B1 PRO 195 HA -0.01 -0.00 0.42 -0.51 4.44 4.34 2cw5B1 PRO 195 HB2 -0.02 0.07 -0.02 -0.04 2.28 2.27 2cw5B1 PRO 195 HB3 -0.01 0.04 0.05 -0.04 2.02 2.07 2cw5B1 PRO 195 HG2 -0.03 -0.05 0.02 -0.04 2.03 1.93 2cw5B1 PRO 195 HG3 -0.01 0.05 0.00 -0.04 2.03 2.04 2cw5B1 PRO 195 HD2 -0.02 0.15 -0.05 -0.04 3.68 3.72 2cw5B1 PRO 195 HD3 -0.01 0.13 -0.17 -0.04 3.65 3.56 2cw5B1 VAL 196 H -0.02 0.08 0.23 -0.55 8.24 7.98 2cw5B1 VAL 196 HA -0.05 0.15 0.42 -0.75 4.13 3.90 2cw5B1 VAL 196 HB -0.01 0.03 0.14 -0.04 2.12 2.24 2cw5B1 VAL 196 HG13 -0.01 -0.01 0.06 -0.04 0.97 0.96 2cw5B1 VAL 196 HG23 -0.03 -0.00 -0.02 -0.04 0.95 0.86 2cw5B1 GLY 197 H -0.12 0.45 0.34 -0.55 8.43 8.55 2cw5B1 GLY 197 HA2 -0.15 -0.02 0.42 -0.51 4.01 3.74 2cw5B1 GLY 197 HA3 -0.08 0.04 0.55 -0.51 4.01 4.02 2cw5B1 GLY 198 H -0.15 0.44 -0.30 -0.55 8.43 7.87 2cw5B1 GLY 198 HA2 -0.09 0.10 0.67 -0.51 4.01 4.18 2cw5B1 GLY 198 HA3 -0.08 0.03 0.28 -0.51 4.01 3.73 2cw5B1 PHE 199 H 0.10 0.11 0.22 -0.55 8.34 8.22 2cw5B1 PHE 199 HA -0.01 0.27 0.98 -0.75 4.62 5.11 2cw5B1 PHE 199 HB2 -0.01 -0.09 0.02 -0.04 3.15 3.03 2cw5B1 PHE 199 HB3 -0.01 0.03 -0.10 -0.04 3.06 2.95 2cw5B1 PHE 199 HD2 -0.01 -0.02 -0.28 -0.04 7.28 6.92 2cw5B1 PHE 199 HE2 -0.00 0.02 -0.06 -0.04 7.38 7.29 2cw5B1 PHE 199 HZ -0.00 -0.02 -0.05 -0.04 7.32 7.21 2cw5B1 VAL 200 H 0.13 0.78 0.32 -0.55 8.24 8.92 2cw5B1 VAL 200 HA 0.04 0.21 1.08 -0.75 4.13 4.71 2cw5B1 VAL 200 HB -0.01 -0.02 -0.18 -0.04 2.12 1.88 2cw5B1 VAL 200 HG13 -0.01 0.04 -0.15 -0.04 0.97 0.81 2cw5B1 VAL 200 HG23 -0.01 -0.00 -0.27 -0.04 0.95 0.63 2cw5B1 GLU 201 H 0.02 0.79 0.34 -0.55 8.60 9.20 2cw5B1 GLU 201 HA 0.02 0.37 1.09 -0.75 4.29 5.02 2cw5B1 GLU 201 HB2 0.01 -0.01 -0.05 -0.04 2.09 1.99 2cw5B1 GLU 201 HB3 0.01 -0.02 0.14 -0.04 1.99 2.08 2cw5B1 GLU 201 HG2 0.00 -0.06 -0.34 -0.04 2.34 1.90 2cw5B1 GLU 201 HG3 0.00 0.05 -0.21 -0.04 2.34 2.13 2cw5B1 VAL 202 H 0.01 0.76 0.32 -0.55 8.24 8.78 2cw5B1 VAL 202 HA 0.00 0.23 0.75 -0.75 4.13 4.36 2cw5B1 VAL 202 HB -0.01 0.01 -0.15 -0.04 2.12 1.93 2cw5B1 VAL 202 HG13 0.01 0.00 -0.15 -0.04 0.97 0.79 2cw5B1 VAL 202 HG23 0.00 0.03 -0.06 -0.04 0.95 0.88 2cw5B1 GLY 203 H 0.01 0.27 0.19 -0.55 8.43 8.36 2cw5B1 GLY 203 HA2 0.02 0.08 0.35 -0.51 4.01 3.95 2cw5B1 GLY 203 HA3 0.02 0.16 0.41 -0.51 4.01 4.09 2cw5B1 GLY 204 H 0.01 -0.00 -0.48 -0.55 8.43 7.41 2cw5B1 GLY 204 HA2 -0.00 -0.04 0.20 -0.51 4.01 3.66 2cw5B1 GLY 204 HA3 0.00 0.13 0.48 -0.51 4.01 4.11 2cw5B1 ARG 205 H 0.01 0.50 -0.37 -0.55 8.46 8.05 2cw5B1 ARG 205 HA 0.00 0.14 0.85 -0.75 4.34 4.58 2cw5B1 ARG 205 HB2 0.02 0.12 0.07 -0.04 1.90 2.07 2cw5B1 ARG 205 HB3 0.02 -0.01 -0.07 -0.04 1.80 1.69 2cw5B1 ARG 205 HG2 0.01 0.08 -0.27 -0.04 1.67 1.44 2cw5B1 ARG 205 HG3 0.01 0.01 -0.03 -0.04 1.67 1.62 2cw5B1 ARG 205 HD2 0.00 -0.02 0.03 -0.04 3.22 3.19 2cw5B1 ARG 205 HD3 0.01 0.01 -0.02 -0.04 3.22 3.18 2cw5B1 ARG 206 H -0.00 0.19 0.12 -0.55 8.46 8.22 2cw5B1 ARG 206 HA 0.03 0.17 0.82 -0.75 4.34 4.60 2cw5B1 ARG 206 HB2 -0.05 -0.01 -0.01 -0.04 1.90 1.80 2cw5B1 ARG 206 HB3 -0.06 -0.00 0.15 -0.04 1.80 1.85 2cw5B1 ARG 206 HG2 -0.06 0.01 -0.27 -0.04 1.67 1.31 2cw5B1 ARG 206 HG3 0.01 -0.01 -0.14 -0.04 1.67 1.49 2cw5B1 ARG 206 HD2 -0.30 0.00 -0.05 -0.04 3.22 2.83 2cw5B1 ARG 206 HD3 -0.50 -0.02 -0.09 -0.04 3.22 2.57 2cw5B1 VAL 207 H 0.08 0.85 0.33 -0.55 8.24 8.96 2cw5B1 VAL 207 HA 0.09 0.26 0.86 -0.75 4.13 4.59 2cw5B1 VAL 207 HB 0.02 -0.04 -0.00 -0.04 2.12 2.05 2cw5B1 VAL 207 HG13 -0.00 0.05 -0.43 -0.04 0.97 0.54 2cw5B1 VAL 207 HG23 0.02 0.01 -0.24 -0.04 0.95 0.71 2cw5B1 PRO 208 HA -0.33 0.15 0.66 -0.51 4.44 4.41 2cw5B1 PRO 208 HB2 -0.13 0.03 -0.04 -0.04 2.28 2.09 2cw5B1 PRO 208 HB3 0.10 0.02 0.07 -0.04 2.02 2.17 2cw5B1 PRO 208 HG2 -0.02 -0.04 0.20 -0.04 2.03 2.13 2cw5B1 PRO 208 HG3 0.05 0.03 0.11 -0.04 2.03 2.18 2cw5B1 PRO 208 HD2 0.06 0.20 0.22 -0.04 3.68 4.11 2cw5B1 PRO 208 HD3 0.17 0.17 0.20 -0.04 3.65 4.15 2cw5B1 VAL 209 H -0.34 0.81 0.31 -0.55 8.24 8.46 2cw5B1 VAL 209 HA -0.08 0.15 0.79 -0.75 4.13 4.24 2cw5B1 VAL 209 HB -0.14 0.04 0.08 -0.04 2.12 2.06 2cw5B1 VAL 209 HG13 -0.04 -0.06 -0.49 -0.04 0.97 0.34 2cw5B1 VAL 209 HG23 -0.07 -0.04 -0.30 -0.04 0.95 0.50 2cw5B1 ARG 210 H -0.03 0.57 0.24 -0.55 8.46 8.69 2cw5B1 ARG 210 HA -0.04 0.10 0.87 -0.75 4.34 4.50 2cw5B1 ARG 210 HB2 -0.07 0.08 -0.03 -0.04 1.90 1.84 2cw5B1 ARG 210 HB3 -0.04 -0.37 0.22 -0.04 1.80 1.58 2cw5B1 ARG 210 HG2 -0.04 0.04 0.02 -0.04 1.67 1.65 2cw5B1 ARG 210 HG3 -0.05 -0.04 0.10 -0.04 1.67 1.65 2cw5B1 ARG 210 HD2 -0.13 0.20 -0.73 -0.04 3.22 2.51 2cw5B1 ARG 210 HD3 -0.09 0.02 -0.29 -0.04 3.22 2.83 2cw5B1 ARG 211 H -0.01 0.00 0.17 -0.55 8.46 8.07 2cw5B1 ARG 211 HA 0.05 0.17 0.76 -0.75 4.34 4.57 2cw5B1 ARG 211 HB2 0.02 -0.04 0.06 -0.04 1.90 1.90 2cw5B1 ARG 211 HB3 0.03 0.03 0.04 -0.04 1.80 1.86 2cw5B1 ARG 211 HG2 0.04 0.15 -0.17 -0.04 1.67 1.65 2cw5B1 ARG 211 HG3 0.01 -0.09 -0.28 -0.04 1.67 1.27 2cw5B1 ARG 211 HD2 0.03 0.03 -0.01 -0.04 3.22 3.22 2cw5B1 ARG 211 HD3 0.01 -0.01 -0.03 -0.04 3.22 3.16 2cw5B1 THR 212 H 0.02 0.01 0.19 -0.55 8.28 7.95 2cw5B1 THR 212 HA 0.12 0.12 0.75 -0.75 4.39 4.63 2cw5B1 THR 212 HB 0.03 -0.03 0.14 -0.04 4.32 4.42 2cw5B1 THR 212 HG23 0.05 0.10 -0.10 -0.04 1.22 1.23 2cw5B1 PHE 213 H 0.43 0.10 0.04 -0.55 8.34 8.35 2cw5B1 PHE 213 HA -0.02 0.15 0.20 -0.75 4.62 4.20 2cw5B1 PHE 213 HB2 -0.05 -0.00 0.08 -0.04 3.15 3.13 2cw5B1 PHE 213 HB3 -0.03 0.04 0.05 -0.04 3.06 3.08 2cw5B1 PHE 213 HD2 -0.08 -0.04 -0.04 -0.04 7.28 7.08 2cw5B1 PHE 213 HE2 -0.28 0.02 -0.14 -0.04 7.38 6.94 2cw5B1 PHE 213 HZ -0.26 -0.03 -0.13 -0.04 7.32 6.86 2cw5B1 GLU 218 HA 0.02 -0.08 0.23 -0.75 4.29 3.71 2cw5B1 GLU 218 HB2 0.03 0.00 0.34 -0.04 2.09 2.42 2cw5B1 GLU 218 HB3 0.04 0.00 0.57 -0.04 1.99 2.56 2cw5B1 GLU 218 HG2 0.05 -0.05 0.35 -0.04 2.34 2.65 2cw5B1 GLU 218 HG3 0.04 -0.08 -0.03 -0.04 2.34 2.24 2cw5B1 GLY 219 H 0.02 0.10 0.04 -0.55 8.43 8.05 2cw5B1 GLY 219 HA2 0.04 0.42 0.79 -0.51 4.01 4.74 2cw5B1 GLY 219 HA3 0.03 -0.03 0.34 -0.51 4.01 3.83 2cw5B1 ALA 220 H 0.03 0.09 -0.39 -0.55 8.40 7.58 2cw5B1 ALA 220 HA 0.02 0.20 0.74 -0.75 4.34 4.54 2cw5B1 ALA 220 HB3 0.02 0.01 0.03 -0.04 1.41 1.43 2cw5B1 PRO 221 HA 0.01 0.25 0.81 -0.51 4.44 5.01 2cw5B1 PRO 221 HB2 0.01 -0.00 -0.05 -0.04 2.28 2.20 2cw5B1 PRO 221 HB3 0.02 -0.02 -0.01 -0.04 2.02 1.97 2cw5B1 PRO 221 HG2 0.03 0.04 0.04 -0.04 2.03 2.10 2cw5B1 PRO 221 HG3 0.02 0.05 -0.01 -0.04 2.03 2.05 2cw5B1 PRO 221 HD2 0.02 0.07 0.23 -0.04 3.68 3.96 2cw5B1 PRO 221 HD3 0.02 0.18 0.17 -0.04 3.65 3.98 2cw5B1 VAL 222 H -0.03 0.63 0.38 -0.55 8.24 8.67 2cw5B1 VAL 222 HA -0.05 0.23 0.68 -0.75 4.13 4.24 2cw5B1 VAL 222 HB -0.15 0.05 -0.22 -0.04 2.12 1.76 2cw5B1 VAL 222 HG13 -0.48 -0.03 -0.23 -0.04 0.97 0.18 2cw5B1 VAL 222 HG23 -0.13 0.04 -0.10 -0.04 0.95 0.72 2cw5B1 ALA 223 H -0.05 0.74 0.29 -0.55 8.40 8.83 2cw5B1 ALA 223 HA -0.20 0.31 1.12 -0.75 4.34 4.82 2cw5B1 ALA 223 HB3 -0.09 -0.02 -0.13 -0.04 1.41 1.13 2cw5B1 TYR 224 H -0.56 0.53 0.33 -0.55 8.29 8.04 2cw5B1 TYR 224 HA -0.03 0.19 0.57 -0.75 4.56 4.54 2cw5B1 TYR 224 HB2 0.02 0.05 0.01 -0.04 3.06 3.10 2cw5B1 TYR 224 HB3 -0.06 0.07 -0.37 -0.04 2.98 2.59 2cw5B1 TYR 224 HD2 -0.07 0.10 -0.69 -0.04 7.15 6.44 2cw5B1 TYR 224 HE2 0.06 -0.08 -0.18 -0.04 6.85 6.60 2cw5B1 LEU 225 H 0.14 0.23 0.10 -0.55 8.37 8.29 2cw5B1 LEU 225 HA 0.03 0.04 0.32 -0.75 4.35 3.98 2cw5B1 LEU 225 HB2 0.06 -0.04 0.02 -0.04 1.64 1.63 2cw5B1 LEU 225 HB3 0.10 0.01 0.11 -0.04 1.64 1.81 2cw5B1 LEU 225 HG 0.09 0.06 -0.29 -0.04 1.64 1.46 2cw5B1 LEU 225 HD13 0.04 0.03 -0.49 -0.04 0.93 0.48 2cw5B1 LEU 225 HD23 0.06 0.00 -0.06 -0.04 0.89 0.85 2cw5B1 GLY 226 H 0.06 0.63 0.23 -0.55 8.43 8.80 2cw5B1 GLY 226 HA2 0.40 0.09 0.37 -0.51 4.01 4.36 2cw5B1 GLY 226 HA3 0.20 -0.01 0.34 -0.51 4.01 4.04 2cw5B1 SER 227 H 0.20 0.11 0.12 -0.55 8.46 8.34 2cw5B1 SER 227 HA 0.12 0.13 0.32 -0.75 4.49 4.30 2cw5B1 SER 227 HB2 0.14 -0.05 0.05 -0.04 3.95 4.05 2cw5B1 SER 227 HB3 0.10 0.10 0.04 -0.04 3.93 4.12 2cw5B1 ALA 228 H 0.19 -0.05 -0.38 -0.55 8.40 7.62 2cw5B1 ALA 228 HA 0.03 0.30 0.71 -0.75 4.34 4.63 2cw5B1 ALA 228 HB3 0.25 -0.01 -0.03 -0.04 1.41 1.58 2cw5B1 GLY 229 H 0.13 0.51 -0.30 -0.55 8.43 8.23 2cw5B1 GLY 229 HA2 0.09 0.03 0.19 -0.51 4.01 3.81 2cw5B1 GLY 229 HA3 0.11 0.16 0.57 -0.51 4.01 4.34 2cw5B1 LEU 230 H 0.16 -0.08 -0.22 -0.55 8.37 7.68 2cw5B1 LEU 230 HA 0.07 0.40 0.86 -0.75 4.35 4.92 2cw5B1 LEU 230 HB2 0.15 -0.20 -0.08 -0.04 1.64 1.47 2cw5B1 LEU 230 HB3 0.01 0.20 -0.03 -0.04 1.64 1.78 2cw5B1 LEU 230 HG 0.36 0.06 -0.42 -0.04 1.64 1.60 2cw5B1 LEU 230 HD13 0.08 0.01 -0.10 -0.04 0.93 0.87 2cw5B1 LEU 230 HD23 -0.00 0.03 -0.23 -0.04 0.89 0.64 2cw5B1 LEU 231 H -0.02 0.70 0.14 -0.55 8.37 8.65 2cw5B1 LEU 231 HA -0.09 0.10 0.43 -0.75 4.35 4.03 2cw5B1 LEU 231 HB2 -0.05 0.12 -0.14 -0.04 1.64 1.52 2cw5B1 LEU 231 HB3 -0.07 -0.15 0.05 -0.04 1.64 1.43 2cw5B1 LEU 231 HG -0.13 0.02 -0.13 -0.04 1.64 1.35 2cw5B1 LEU 231 HD13 -0.05 0.01 -0.12 -0.04 0.93 0.73 2cw5B1 LEU 231 HD23 -0.12 -0.03 -0.46 -0.04 0.89 0.25 2cw5B1 GLU 232 H -0.42 0.71 0.46 -0.55 8.60 8.80 2cw5B1 GLU 232 HA -0.19 0.29 1.11 -0.75 4.29 4.74 2cw5B1 GLU 232 HB2 -0.72 -0.00 0.06 -0.04 2.09 1.39 2cw5B1 GLU 232 HB3 -0.15 -0.05 -0.04 -0.04 1.99 1.72 2cw5B1 GLU 232 HG2 -0.08 0.00 -0.07 -0.04 2.34 2.16 2cw5B1 GLU 232 HG3 -0.04 0.12 -0.11 -0.04 2.34 2.27 2cw5B1 VAL 233 H -0.12 0.56 0.34 -0.55 8.24 8.48 2cw5B1 VAL 233 HA -0.14 0.33 1.09 -0.75 4.13 4.65 2cw5B1 VAL 233 HB -0.02 -0.10 0.11 -0.04 2.12 2.07 2cw5B1 VAL 233 HG13 0.00 0.00 -0.20 -0.04 0.97 0.74 2cw5B1 VAL 233 HG23 -0.08 0.01 -0.25 -0.04 0.95 0.59 2cw5B1 ALA 234 H 0.03 0.80 0.34 -0.55 8.40 9.03 2cw5B1 ALA 234 HA 0.14 0.04 0.90 -0.75 4.34 4.67 2cw5B1 ALA 234 HB3 0.32 0.02 -0.09 -0.04 1.41 1.63 2cw5B1 VAL 235 H 0.14 0.22 0.00 -0.55 8.24 8.05 2cw5B1 VAL 235 HA 0.05 0.27 0.59 -0.75 4.13 4.29 2cw5B1 VAL 235 HB 0.08 -0.18 -0.48 -0.04 2.12 1.49 2cw5B1 VAL 235 HG13 0.05 0.06 -0.49 -0.04 0.97 0.55 2cw5B1 VAL 235 HG23 0.05 -0.00 -0.34 -0.04 0.95 0.61 2cw5B1 ASN 236 H 0.07 0.65 0.06 -0.55 8.53 8.75 2cw5B1 ASN 236 HA 0.30 -0.12 0.40 -0.75 4.76 4.59 2cw5B1 ASN 236 HB2 0.09 -0.03 0.16 -0.04 2.88 3.06 2cw5B1 ASN 236 HB3 0.07 0.46 0.30 -0.04 2.79 3.59 2cw5B1 ASN 236 HD21 0.12 -0.02 0.04 -0.04 7.03 7.13 2cw5B1 ASN 236 HD22 0.11 -0.04 0.24 -0.04 7.74 8.01 2cw5B1 ARG 237 H 0.10 0.05 0.26 -0.55 8.46 8.31 2cw5B1 ARG 237 HA 0.00 -0.05 0.37 -0.75 4.34 3.90 2cw5B1 ARG 237 HB2 0.03 0.43 0.03 -0.04 1.90 2.35 2cw5B1 ARG 237 HB3 0.01 -0.06 0.22 -0.04 1.80 1.93 2cw5B1 ARG 237 HG2 0.02 -0.10 -0.17 -0.04 1.67 1.38 2cw5B1 ARG 237 HG3 0.01 0.04 -0.09 -0.04 1.67 1.59 2cw5B1 ARG 237 HD2 -0.01 0.00 0.04 -0.04 3.22 3.21 2cw5B1 ARG 237 HD3 -0.04 -0.03 0.06 -0.04 3.22 3.17 2cw5B1 GLY 238 H 0.08 0.59 -0.20 -0.55 8.43 8.36 2cw5B1 GLY 238 HA2 0.05 0.16 0.72 -0.51 4.01 4.43 2cw5B1 GLY 238 HA3 0.05 0.01 0.16 -0.51 4.01 3.72 2cw5B1 SER 239 H 0.04 0.20 0.11 -0.55 8.46 8.26 2cw5B1 SER 239 HA 0.10 0.34 1.06 -0.75 4.49 5.23 2cw5B1 SER 239 HB2 0.05 0.21 0.04 -0.04 3.95 4.21 2cw5B1 SER 239 HB3 0.02 -0.00 0.19 -0.04 3.93 4.09 2cw5B1 ALA 240 H 0.10 0.22 -0.03 -0.55 8.40 8.15 2cw5B1 ALA 240 HA 0.06 0.09 0.30 -0.75 4.34 4.04 2cw5B1 ALA 240 HB3 0.10 0.02 -0.06 -0.04 1.41 1.44 2cw5B1 ARG 241 H 0.04 0.43 0.02 -0.55 8.46 8.39 2cw5B1 ARG 241 HA -0.06 0.01 0.30 -0.75 4.34 3.83 2cw5B1 ARG 241 HB2 -0.39 0.09 0.10 -0.04 1.90 1.65 2cw5B1 ARG 241 HB3 -0.22 -0.10 0.09 -0.04 1.80 1.53 2cw5B1 ARG 241 HG2 -0.42 0.05 -0.20 -0.04 1.67 1.06 2cw5B1 ARG 241 HG3 -1.24 0.06 -0.07 -0.04 1.67 0.38 2cw5B1 ARG 241 HD2 -1.04 -0.05 -0.06 -0.04 3.22 2.03 2cw5B1 ARG 241 HD3 -0.38 -0.00 -0.05 -0.04 3.22 2.74 2cw5B1 GLU 242 H -0.05 0.03 -0.25 -0.55 8.60 7.78 2cw5B1 GLU 242 HA -0.06 0.15 0.57 -0.75 4.29 4.19 2cw5B1 GLU 242 HB2 -0.05 -0.03 0.06 -0.04 2.09 2.03 2cw5B1 GLU 242 HB3 -0.02 -0.01 0.11 -0.04 1.99 2.03 2cw5B1 GLU 242 HG2 -0.01 0.05 -0.16 -0.04 2.34 2.18 2cw5B1 GLU 242 HG3 -0.03 0.01 0.04 -0.04 2.34 2.32 2cw5B1 ALA 243 H 0.00 0.65 0.05 -0.55 8.40 8.55 2cw5B1 ALA 243 HA 0.01 0.05 0.45 -0.75 4.34 4.09 2cw5B1 ALA 243 HB3 0.02 -0.03 0.06 -0.04 1.41 1.42 2cw5B1 LEU 244 H 0.02 0.56 -0.15 -0.55 8.37 8.25 2cw5B1 LEU 244 HA 0.01 0.19 0.80 -0.75 4.35 4.61 2cw5B1 LEU 244 HB2 0.04 0.13 0.01 -0.04 1.64 1.78 2cw5B1 LEU 244 HB3 0.03 -0.03 0.03 -0.04 1.64 1.63 2cw5B1 LEU 244 HG 0.02 0.05 -0.05 -0.04 1.64 1.62 2cw5B1 LEU 244 HD13 0.03 -0.04 -0.24 -0.04 0.93 0.64 2cw5B1 LEU 244 HD23 0.03 -0.02 -0.11 -0.04 0.89 0.75 2cw5B1 GLY 245 H -0.01 0.12 -0.51 -0.55 8.43 7.49 2cw5B1 GLY 245 HA2 -0.02 0.04 0.37 -0.51 4.01 3.89 2cw5B1 GLY 245 HA3 -0.00 -0.02 0.37 -0.51 4.01 3.85 2cw5B1 LEU 246 H 0.01 0.30 0.01 -0.55 8.37 8.14 2cw5B1 LEU 246 HA 0.08 0.11 0.49 -0.75 4.35 4.28 2cw5B1 LEU 246 HB2 0.26 -0.10 -0.07 -0.04 1.64 1.69 2cw5B1 LEU 246 HB3 0.29 -0.04 -0.07 -0.04 1.64 1.77 2cw5B1 LEU 246 HG 0.08 0.10 -0.23 -0.04 1.64 1.54 2cw5B1 LEU 246 HD13 0.16 -0.04 -0.22 -0.04 0.93 0.79 2cw5B1 LEU 246 HD23 0.06 0.04 -0.21 -0.04 0.89 0.74 2cw5B1 LYS 247 H 0.15 0.20 0.15 -0.55 8.42 8.36 2cw5B1 LYS 247 HA 0.18 0.12 0.84 -0.75 4.32 4.71 2cw5B1 LYS 247 HB2 0.06 -0.02 0.03 -0.04 1.87 1.90 2cw5B1 LYS 247 HB3 0.06 0.05 0.01 -0.04 1.79 1.88 2cw5B1 LYS 247 HG2 0.03 0.11 -0.49 -0.04 1.46 1.07 2cw5B1 LYS 247 HG3 0.02 -0.02 -0.07 -0.04 1.46 1.36 2cw5B1 LYS 247 HD2 0.02 -0.05 0.02 -0.04 1.69 1.64 2cw5B1 LYS 247 HD3 0.01 0.09 0.03 -0.04 1.68 1.77 2cw5B1 LYS 247 HE2 -0.01 0.06 -0.09 -0.04 2.99 2.90 2cw5B1 LYS 247 HE3 0.00 -0.02 -0.04 -0.04 2.99 2.89 2cw5B1 GLU 248 H 0.27 0.11 0.08 -0.55 8.60 8.51 2cw5B1 GLU 248 HA -0.09 0.02 0.29 -0.75 4.29 3.75 2cw5B1 GLU 248 HB2 0.14 -0.06 0.05 -0.04 2.09 2.19 2cw5B1 GLU 248 HB3 0.08 -0.02 0.12 -0.04 1.99 2.13 2cw5B1 GLU 248 HG2 -0.02 0.01 -0.23 -0.04 2.34 2.06 2cw5B1 GLU 248 HG3 -0.08 0.25 -0.01 -0.04 2.34 2.46 2cw5B1 GLY 249 H -0.09 0.58 0.24 -0.55 8.43 8.61 2cw5B1 GLY 249 HA2 -0.04 0.03 0.27 -0.51 4.01 3.75 2cw5B1 GLY 249 HA3 -0.02 0.16 0.56 -0.51 4.01 4.20 2cw5B1 PRO 251 HA -0.03 0.09 0.31 -0.51 4.44 4.31 2cw5B1 PRO 251 HB2 -0.01 -0.02 -0.01 -0.04 2.28 2.20 2cw5B1 PRO 251 HB3 -0.01 0.02 0.19 -0.04 2.02 2.18 2cw5B1 PRO 251 HG2 -0.01 -0.09 0.08 -0.04 2.03 1.98 2cw5B1 PRO 251 HG3 -0.01 -0.00 0.05 -0.04 2.03 2.03 2cw5B1 PRO 251 HD2 -0.00 -0.06 0.03 -0.04 3.68 3.61 2cw5B1 PRO 251 HD3 -0.01 0.07 -0.20 -0.04 3.65 3.48 2cw5B1 VAL 252 H -0.03 0.57 0.07 -0.55 8.24 8.31 2cw5B1 VAL 252 HA -0.02 0.37 0.92 -0.75 4.13 4.64 2cw5B1 VAL 252 HB -0.04 -0.15 -0.19 -0.04 2.12 1.69 2cw5B1 VAL 252 HG13 -0.04 0.01 -0.24 -0.04 0.97 0.66 2cw5B1 VAL 252 HG23 -0.06 -0.02 -0.35 -0.04 0.95 0.48 2cw5B1 ARG 253 H -0.01 0.56 0.28 -0.55 8.46 8.74 2cw5B1 ARG 253 HA -0.01 0.37 1.21 -0.75 4.34 5.15 2cw5B1 ARG 253 HB2 0.00 -0.08 0.03 -0.04 1.90 1.81 2cw5B1 ARG 253 HB3 0.00 0.08 -0.05 -0.04 1.80 1.80 2cw5B1 ARG 253 HG2 -0.01 0.04 -0.23 -0.04 1.67 1.43 2cw5B1 ARG 253 HG3 -0.01 -0.03 -0.32 -0.04 1.67 1.28 2cw5B1 ARG 253 HD2 -0.00 -0.03 -0.09 -0.04 3.22 3.06 2cw5B1 ARG 253 HD3 -0.00 0.02 -0.08 -0.04 3.22 3.11 2cw5B1 LEU 254 H -0.00 0.67 0.33 -0.55 8.37 8.82 2cw5B1 LEU 254 HA 0.02 0.08 0.73 -0.75 4.35 4.42 2cw5B1 LEU 254 HB2 0.00 -0.05 0.26 -0.04 1.64 1.82 2cw5B1 LEU 254 HB3 0.01 0.00 0.07 -0.04 1.64 1.68 2cw5B1 LEU 254 HG -0.01 0.00 0.03 -0.04 1.64 1.62 2cw5B1 LEU 254 HD13 -0.00 0.00 0.00 -0.04 0.93 0.89 2cw5B1 LEU 254 HD23 -0.01 0.00 -0.06 -0.04 0.89 0.78 2cw5B1 LEU 255 H 0.06 0.71 0.31 -0.55 8.37 8.90 2cw5B1 LEU 255 HA 0.03 0.17 0.55 -0.75 4.35 4.35 2cw5B1 LEU 255 HB2 0.12 0.01 0.05 -0.04 1.64 1.78 2cw5B1 LEU 255 HB3 0.05 -0.01 0.03 -0.04 1.64 1.67 2cw5B1 LEU 255 HG 0.05 0.05 -0.19 -0.04 1.64 1.50 2cw5B1 LEU 255 HD13 0.01 -0.01 -0.15 -0.04 0.93 0.74 2cw5B1 LEU 255 HD23 0.01 0.01 -0.15 -0.04 0.89 0.72