#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpg h PRO 6 N 0.00 0.00 -0.48 -1.46 0.11 -2.00 -2.62 132.00 125.55 2wpg h PRO 6 Ca 0.00 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.91 2wpg h PRO 6 Cb 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 30.99 2wpg h PRO 6 CO 0.00 0.00 0.09 0.44 -0.21 0.00 0.00 178.00 178.32 2wpg n ILE 7 N -2.98 2.65 -1.73 4.15 -5.35 -1.26 -4.49 119.36 110.34 2wpg n ILE 7 Ca -0.02 -2.33 -0.39 0.00 -0.27 0.00 0.00 62.75 59.74 2wpg n ILE 7 Cb 0.11 -0.34 0.03 0.00 -1.74 0.00 0.00 39.64 37.71 2wpg n ILE 7 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2wpg n ASP 8 N -0.91 2.64 -0.30 7.28 8.00 -0.99 -4.77 116.55 127.49 2wpg n ASP 8 Ca 0.36 1.01 0.13 0.00 0.71 0.00 0.00 54.79 57.00 2wpg n ASP 8 Cb 1.15 -1.55 0.30 0.00 -0.02 0.00 0.00 41.12 40.99 2wpg n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wpg h ALA 9 N 1.64 1.37 -0.48 2.24 0.00 -1.94 0.13 119.26 122.22 2wpg h ALA 9 Ca -0.50 0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 2wpg h ALA 9 Cb 1.30 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2wpg h ALA 9 CO 0.58 -0.39 -0.18 0.00 0.00 0.00 0.00 179.25 179.26 2wpg h ALA 10 N 1.73 0.66 0.00 0.00 0.00 -1.98 -2.02 119.26 117.65 2wpg h ALA 10 Ca 0.55 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2wpg h ALA 10 Cb 1.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2wpg h ALA 10 CO -0.57 0.62 -0.31 0.00 0.00 0.00 0.00 179.25 178.99 2wpg h ALA 11 N 0.87 1.07 -0.13 0.00 0.00 -1.37 -1.30 119.26 118.39 2wpg h ALA 11 Ca 0.11 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 2wpg h ALA 11 Cb 0.75 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.49 2wpg h ALA 11 CO 0.06 0.39 -0.48 -0.07 0.00 0.00 0.00 179.25 179.15 2wpg h LEU 12 N 0.00 0.65 -0.97 0.00 3.38 -0.54 -1.41 115.31 116.42 2wpg h LEU 12 Ca -0.00 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 2wpg h LEU 12 Cb 0.78 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.29 2wpg h LEU 12 CO 0.04 1.15 0.56 -0.09 0.09 0.00 0.00 178.44 180.20 2wpg h ARG 13 N 0.18 1.27 -0.42 1.13 2.43 -1.18 -2.27 114.38 115.53 2wpg h ARG 13 Ca -0.02 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 2wpg h ARG 13 Cb 1.11 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 2wpg h ARG 13 CO 0.10 0.89 0.21 0.00 -1.51 0.00 0.00 179.97 179.66 2wpg h ALA 14 N 1.33 1.58 -0.81 2.80 0.00 -1.11 0.81 119.26 123.86 2wpg h ALA 14 Ca 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2wpg h ALA 14 Cb -0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 2wpg h ALA 14 CO -0.06 0.34 0.48 0.77 0.00 0.00 0.00 179.25 180.78 2wpg h SER 15 N 0.58 0.98 -0.05 0.00 0.02 -0.65 0.24 113.55 114.68 2wpg h SER 15 Ca 0.15 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 2wpg h SER 15 Cb 0.05 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.34 2wpg h SER 15 CO -0.02 0.77 -0.22 0.58 -1.14 0.00 0.00 176.83 176.80 2wpg h VAL 16 N 1.12 1.46 -0.25 2.27 2.07 -1.36 -3.24 116.25 118.31 2wpg h VAL 16 Ca 0.29 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 66.14 2wpg h VAL 16 Cb -0.03 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 2wpg h VAL 16 CO -0.05 0.47 0.17 0.00 0.02 0.00 0.00 177.57 178.17 2wpg h ALA 17 N 0.40 1.84 0.00 1.67 0.00 -0.62 -1.97 119.26 120.58 2wpg h ALA 17 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wpg h ALA 17 Cb 0.87 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2wpg h ALA 17 CO 0.05 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.44 2wpg h ALA 18 N 1.84 1.00 0.00 0.00 0.00 -0.54 -2.06 119.26 119.50 2wpg h ALA 18 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wpg h ALA 18 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wpg h ALA 18 CO -0.02 0.00 -1.11 0.00 0.00 0.00 0.00 179.25 178.11 2wpg n ALA 19 N -2.03 4.23 -2.77 0.00 0.00 -0.74 -4.99 120.51 114.20 2wpg n ALA 19 Ca -0.02 -0.54 -0.34 0.00 0.00 0.00 0.00 53.44 52.53 2wpg n ALA 19 Cb 0.08 -0.71 -0.05 0.00 0.00 0.00 0.00 19.45 18.77 2wpg n ALA 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wpg s LEU 20 N -3.20 4.37 -0.33 0.00 1.43 -0.77 -4.66 118.68 115.51 2wpg s LEU 20 Ca 0.05 0.53 -0.29 0.00 -1.03 0.00 0.00 54.13 53.39 2wpg s LEU 20 Cb 0.15 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.67 2wpg s LEU 20 CO 0.81 0.24 1.32 -0.62 0.23 0.00 0.00 176.35 178.33 2wpg s ASP 21 N -1.77 6.61 -0.81 2.29 3.68 -1.26 -4.93 116.67 120.48 2wpg s ASP 21 Ca 0.28 1.10 -0.25 0.00 2.13 0.00 0.00 52.55 55.81 2wpg s ASP 21 Cb -0.13 -2.54 -0.08 0.00 -1.45 0.00 0.00 42.92 38.71 2wpg s ASP 21 CO 0.17 -1.15 2.16 -2.84 0.13 0.00 0.00 175.17 173.63 2wpg s PRO 22 N 4.33 2.13 0.00 4.34 0.02 -1.26 -1.66 135.00 142.90 2wpg s PRO 22 Ca 0.57 0.19 0.00 0.00 0.02 0.00 0.00 61.00 61.78 2wpg s PRO 22 Cb -0.16 -4.87 0.00 0.00 0.02 0.00 0.00 34.50 29.49 2wpg s PRO 22 CO 0.25 -3.78 0.00 -1.13 -0.33 0.00 0.00 177.00 172.01 2wpg n SER 23 N 15.98 0.00 -0.24 2.53 3.41 -1.26 -4.92 113.62 129.13 2wpg n SER 23 Ca 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 2wpg n SER 23 Cb 0.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2wpg n SER 23 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2wpg n THR 24 N 0.00 0.05 0.61 6.66 -2.24 -0.66 -4.84 114.28 113.86 2wpg n THR 24 Ca 0.00 -0.05 0.07 0.00 -2.27 0.00 0.00 64.05 61.79 2wpg n THR 24 Cb 0.00 0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 68.95 2wpg n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wpg n ALA 25 N -0.03 3.22 -0.03 6.98 0.00 -1.09 -4.60 120.51 124.95 2wpg n ALA 25 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 53.44 52.89 2wpg n ALA 25 Cb 0.59 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 2wpg n ALA 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wpg h VAL 26 N 1.14 0.79 -0.55 0.00 2.07 -1.88 -0.61 116.25 117.21 2wpg h VAL 26 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2wpg h VAL 26 Cb 0.43 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2wpg h VAL 26 CO 0.00 0.00 0.16 0.00 0.02 0.00 0.00 177.57 177.75 2wpg h ALA 27 N 1.16 0.73 -0.33 1.67 0.00 -1.99 -1.83 119.26 118.66 2wpg h ALA 27 Ca 0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2wpg h ALA 27 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2wpg h ALA 27 CO -0.20 0.41 -0.04 1.15 0.00 0.00 0.00 179.25 180.57 2wpg h THR 28 N 0.78 1.27 -0.17 0.00 2.02 -1.79 -2.47 112.91 112.55 2wpg h THR 28 Ca 0.18 -1.05 -0.09 0.00 0.77 0.00 0.00 66.41 66.21 2wpg h THR 28 Cb 0.31 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 2wpg h THR 28 CO -0.00 0.34 -0.30 -0.07 0.37 0.00 0.00 175.52 175.86 2wpg h LEU 29 N 0.40 0.32 -0.50 2.58 3.38 -1.05 0.05 115.31 120.50 2wpg h LEU 29 Ca 0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2wpg h LEU 29 Cb 0.52 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2wpg h LEU 29 CO 0.03 0.62 0.24 0.00 0.09 0.00 0.00 178.44 179.41 2wpg h ALA 30 N 1.41 0.64 -0.15 1.53 0.00 -1.23 -0.12 119.26 121.34 2wpg h ALA 30 Ca 0.04 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 2wpg h ALA 30 Cb 0.68 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2wpg h ALA 30 CO 0.05 0.20 -0.46 0.00 0.00 0.00 0.00 179.25 179.05 2wpg h ARG 31 N 0.66 0.36 -0.06 0.00 3.08 -1.11 -1.81 114.38 115.51 2wpg h ARG 31 Ca 0.17 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2wpg h ARG 31 Cb 0.12 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 2wpg h ARG 31 CO -0.02 0.75 0.04 0.35 -1.07 0.00 0.00 179.97 180.01 2wpg h PHE 32 N 0.29 0.07 -0.96 3.04 3.57 -0.70 -0.17 116.94 122.09 2wpg h PHE 32 Ca 0.02 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.59 2wpg h PHE 32 Cb 0.92 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.57 2wpg h PHE 32 CO 0.02 0.06 0.61 -0.44 -2.23 0.00 0.00 178.31 176.33 2wpg h ASP 33 N 0.06 0.95 0.01 0.41 3.32 -0.76 0.19 116.42 120.61 2wpg h ASP 33 Ca 0.02 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2wpg h ASP 33 Cb 0.00 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2wpg h ASP 33 CO -0.00 0.59 -0.01 0.74 -1.72 0.00 0.00 179.24 178.84 2wpg h THR 34 N 1.08 1.16 0.00 0.35 2.02 -1.00 -3.39 112.91 113.13 2wpg h THR 34 Ca 0.42 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2wpg h THR 34 Cb 0.22 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 2wpg h THR 34 CO -0.19 0.13 -1.65 1.41 0.37 0.00 0.00 175.52 175.60 2wpg n HIS 35 N -4.99 0.00 -0.23 3.16 8.25 -0.10 -4.54 115.22 116.77 2wpg n HIS 35 Ca -0.08 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.36 2wpg n HIS 35 Cb 0.13 -0.34 0.18 0.00 1.12 0.00 0.00 29.99 31.08 2wpg n HIS 35 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wpg h ALA 36 N 1.98 1.28 -0.71 -1.41 0.00 -0.82 -1.98 119.26 117.60 2wpg h ALA 36 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.86 2wpg h ALA 36 Cb 0.78 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 2wpg h ALA 36 CO 0.00 0.57 0.38 -1.35 0.00 0.00 0.00 179.25 178.84 2wpg h PRO 37 N 1.03 0.64 -0.20 0.00 0.11 -1.80 0.52 132.00 132.30 2wpg h PRO 37 Ca 0.25 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 2wpg h PRO 37 Cb 0.07 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 2wpg h PRO 37 CO -0.04 0.42 0.01 -0.09 -0.21 0.00 0.00 178.00 178.10 2wpg h ARG 38 N 0.66 0.35 -0.06 1.05 2.43 -1.75 -0.91 114.38 116.15 2wpg h ARG 38 Ca 0.34 -0.10 0.03 0.00 -0.81 0.00 0.00 59.98 59.43 2wpg h ARG 38 Cb 0.31 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 2wpg h ARG 38 CO -0.24 0.53 -0.11 1.25 -1.51 0.00 0.00 179.97 179.89 2wpg h LEU 39 N 0.12 -0.32 -1.04 3.80 5.85 -0.90 -2.02 115.31 120.80 2wpg h LEU 39 Ca 0.06 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 2wpg h LEU 39 Cb 0.36 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2wpg h LEU 39 CO 0.01 -0.15 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.66 2wpg h LEU 40 N -0.15 0.40 -0.48 2.25 3.38 0.08 -1.00 115.31 119.79 2wpg h LEU 40 Ca 0.06 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2wpg h LEU 40 Cb 0.24 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2wpg h LEU 40 CO -0.15 0.64 0.19 -0.78 0.09 0.00 0.00 178.44 178.43 2wpg h ASP 41 N 0.36 0.67 -0.42 -0.43 3.58 -1.03 -0.38 116.42 118.76 2wpg h ASP 41 Ca 0.06 -0.17 -0.04 0.00 0.42 0.00 0.00 57.03 57.29 2wpg h ASP 41 Cb 0.61 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 2wpg h ASP 41 CO 0.04 0.66 0.10 0.00 -2.88 0.00 0.00 179.24 177.17 2wpg h ALA 42 N 1.04 0.56 -0.58 -0.78 0.00 -0.90 -1.09 119.26 117.50 2wpg h ALA 42 Ca 0.16 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2wpg h ALA 42 Cb 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2wpg h ALA 42 CO -0.01 0.24 0.06 -0.07 0.00 0.00 0.00 179.25 179.46 2wpg h LEU 43 N 0.55 0.92 -0.49 0.00 3.38 -1.09 -1.27 115.31 117.31 2wpg h LEU 43 Ca 0.13 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2wpg h LEU 43 Cb 0.31 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2wpg h LEU 43 CO 0.00 0.95 0.20 -1.28 0.09 0.00 0.00 178.44 178.40 2wpg h SER 44 N 0.90 0.67 -0.56 -0.43 0.87 -0.88 0.25 113.55 114.36 2wpg h SER 44 Ca 0.18 -0.17 0.01 0.00 -1.23 0.00 0.00 61.79 60.58 2wpg h SER 44 Cb 0.45 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 2wpg h SER 44 CO 0.02 0.65 0.37 0.74 -0.53 0.00 0.00 176.83 178.08 2wpg h THR 45 N 0.65 1.14 -0.06 2.23 2.02 -0.81 0.32 112.91 118.40 2wpg h THR 45 Ca 0.16 -0.26 -0.10 0.00 0.77 0.00 0.00 66.41 66.98 2wpg h THR 45 Cb 0.19 0.31 0.01 0.00 -1.74 0.00 0.00 68.15 66.92 2wpg h THR 45 CO -0.01 0.14 -0.35 -0.07 0.37 0.00 0.00 175.52 175.59 2wpg h LEU 46 N 0.76 0.42 -0.68 2.58 3.38 -1.07 -3.41 115.31 117.29 2wpg h LEU 46 Ca 0.21 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2wpg h LEU 46 Cb -0.08 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2wpg h LEU 46 CO -0.05 1.01 0.00 -1.22 0.09 0.00 0.00 178.44 178.28 2wpg n TYR 47 N -4.40 0.00 -0.28 1.13 4.01 0.85 -4.84 117.16 113.63 2wpg n TYR 47 Ca -0.09 0.00 0.23 0.00 -0.16 0.00 0.00 57.90 57.88 2wpg n TYR 47 Cb 0.52 0.00 0.54 0.00 -0.31 0.00 0.00 39.34 40.10 2wpg n TYR 47 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2wpg h GLY 48 N 0.00 0.89 -1.86 2.72 0.00 -0.33 -0.57 103.07 103.92 2wpg h GLY 48 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2wpg h GLY 48 CO 0.00 -0.06 0.00 1.22 0.00 0.00 0.00 176.54 177.70 2wpg n ASP 49 N -4.52 2.96 -4.76 0.19 8.00 -1.26 -4.88 116.55 112.27 2wpg n ASP 49 Ca 0.22 -1.92 -0.39 0.00 0.71 0.00 0.00 54.79 53.42 2wpg n ASP 49 Cb 0.84 -0.07 0.02 0.00 -0.02 0.00 0.00 41.12 41.90 2wpg n ASP 49 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2wpg s HIS 50 N -1.70 2.50 0.53 1.24 2.46 -0.22 -4.88 115.29 115.22 2wpg s HIS 50 Ca 0.28 1.38 0.22 0.00 0.47 0.00 0.00 55.06 57.41 2wpg s HIS 50 Cb 0.19 -3.74 1.38 0.00 -0.13 0.00 0.00 32.58 30.28 2wpg s HIS 50 CO 0.28 -2.56 2.08 0.00 -2.47 0.00 0.00 174.74 172.07 2wpg h ALA 51 N 1.91 2.18 -0.22 1.58 0.00 -1.93 -2.47 119.26 120.31 2wpg h ALA 51 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2wpg h ALA 51 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2wpg h ALA 51 CO 0.59 -0.31 0.00 -0.25 0.00 0.00 0.00 179.25 179.29 2wpg n ASP 52 N -4.38 3.04 0.19 0.00 8.00 -1.26 -4.66 116.55 117.48 2wpg n ASP 52 Ca 0.03 -1.95 -0.14 0.00 0.71 0.00 0.00 54.79 53.44 2wpg n ASP 52 Cb 0.33 -0.13 -0.07 0.00 -0.02 0.00 0.00 41.12 41.23 2wpg n ASP 52 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2wpg h TYR 53 N 4.26 -0.72 -0.59 1.24 3.20 -1.70 0.20 116.97 122.87 2wpg h TYR 53 Ca 0.00 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 2wpg h TYR 53 Cb 0.92 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 2wpg h TYR 53 CO 0.13 -0.39 0.16 0.28 -1.64 0.00 0.00 178.16 176.70 2wpg h VAL 54 N -0.58 1.23 0.00 1.81 2.07 -1.83 -1.54 116.25 117.41 2wpg h VAL 54 Ca -0.01 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.63 2wpg h VAL 54 Cb 0.53 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2wpg h VAL 54 CO -0.04 0.32 -0.22 0.71 0.02 0.00 0.00 177.57 178.35 2wpg h THR 55 N 0.87 0.39 0.18 2.57 1.35 -1.82 -3.34 112.91 113.10 2wpg h THR 55 Ca 0.19 -1.48 -0.28 0.00 -0.55 0.00 0.00 66.41 64.29 2wpg h THR 55 Cb 0.29 2.14 0.02 0.00 -1.73 0.00 0.00 68.15 68.87 2wpg h THR 55 CO -0.00 0.21 -1.33 -0.25 -0.25 0.00 0.00 175.52 173.90 2wpg h TRP 56 N 0.00 0.69 -0.11 4.73 7.01 -0.13 -3.40 115.95 124.72 2wpg h TRP 56 Ca -0.00 -0.50 -0.01 0.00 2.11 0.00 0.00 58.89 60.49 2wpg h TRP 56 Cb 1.12 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 28.15 2wpg h TRP 56 CO 0.00 1.51 0.04 1.25 -2.79 0.00 0.00 178.44 178.45 2wpg h LEU 57 N -0.11 0.17 -0.33 0.65 5.85 -1.42 -2.03 115.31 118.08 2wpg h LEU 57 Ca -0.25 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.23 2wpg h LEU 57 Cb 1.91 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.88 2wpg h LEU 57 CO 0.17 0.33 0.10 -0.65 -0.34 0.00 0.00 178.44 178.05 2wpg h PRO 58 N -0.00 0.52 -0.04 5.25 0.11 -1.81 -1.79 132.00 134.24 2wpg h PRO 58 Ca 0.04 -0.12 -0.08 0.00 0.11 0.00 0.00 66.00 65.95 2wpg h PRO 58 Cb 0.22 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 2wpg h PRO 58 CO -0.00 0.56 -0.36 -0.56 -0.21 0.00 0.00 178.00 177.43 2wpg h GLN 59 N 0.38 0.08 -0.52 1.05 -0.00 -1.76 -1.95 115.11 112.39 2wpg h GLN 59 Ca 0.11 -0.03 -0.11 0.00 -0.00 0.00 0.00 58.65 58.61 2wpg h GLN 59 Cb 0.26 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.72 2wpg h GLN 59 CO -0.00 0.44 -0.10 2.35 -0.00 0.00 0.00 178.83 181.51 2wpg h TRP 60 N 0.07 1.10 -0.35 0.06 7.01 -1.15 -1.59 115.95 121.11 2wpg h TRP 60 Ca 0.01 -0.23 -0.05 0.00 2.11 0.00 0.00 58.89 60.72 2wpg h TRP 60 Cb 0.68 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.44 2wpg h TRP 60 CO 0.00 1.04 -0.01 -0.07 -2.79 0.00 0.00 178.44 176.61 2wpg h LEU 61 N 0.85 0.53 -0.59 0.65 3.38 -0.93 0.31 115.31 119.52 2wpg h LEU 61 Ca 0.13 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2wpg h LEU 61 Cb 0.66 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2wpg h LEU 61 CO 0.05 0.61 0.14 0.28 0.09 0.00 0.00 178.44 179.60 2wpg h SER 62 N 0.53 0.90 -0.17 -0.43 0.02 -1.16 -0.99 113.55 112.26 2wpg h SER 62 Ca 0.11 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.75 2wpg h SER 62 Cb 0.36 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 2wpg h SER 62 CO 0.01 0.91 -0.12 0.00 -1.14 0.00 0.00 176.83 176.49 2wpg h ALA 63 N 1.03 1.21 -0.36 3.77 0.00 -0.50 -0.23 119.26 124.19 2wpg h ALA 63 Ca 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2wpg h ALA 63 Cb 0.36 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2wpg h ALA 63 CO 0.00 0.51 0.15 1.25 0.00 0.00 0.00 179.25 181.17 2wpg h LEU 64 N 0.49 0.48 -1.06 0.00 6.46 -0.72 -2.01 115.31 118.96 2wpg h LEU 64 Ca 0.09 -0.15 0.01 0.00 -0.12 0.00 0.00 57.88 57.71 2wpg h LEU 64 Cb 0.51 -0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.26 2wpg h LEU 64 CO 0.03 0.50 0.64 1.23 -0.62 0.00 0.00 178.44 180.22 2wpg h GLY 65 N 0.43 1.35 0.99 3.75 0.00 -0.55 0.27 103.07 109.32 2wpg h GLY 65 Ca 0.12 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 2wpg h GLY 65 CO -0.01 0.49 0.29 -2.08 0.00 0.00 0.00 176.54 175.23 2wpg h VAL 66 N 1.30 1.22 -0.08 4.60 2.07 -0.81 -0.11 116.25 124.43 2wpg h VAL 66 Ca 0.35 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 2wpg h VAL 66 Cb -0.14 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 2wpg h VAL 66 CO -0.08 0.25 -0.42 0.58 0.02 0.00 0.00 177.57 177.92 2wpg h VAL 67 N 0.84 1.31 -0.49 2.57 2.07 -0.86 -2.61 116.25 119.07 2wpg h VAL 67 Ca 0.21 -1.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.12 2wpg h VAL 67 Cb 0.13 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2wpg h VAL 67 CO -0.03 0.45 -0.03 0.00 0.02 0.00 0.00 177.57 177.98 2wpg h ALA 68 N 1.42 0.67 -0.60 1.67 0.00 -0.41 -2.78 119.26 119.22 2wpg h ALA 68 Ca 0.01 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2wpg h ALA 68 Cb 0.81 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2wpg h ALA 68 CO 0.06 0.51 0.40 0.37 0.00 0.00 0.00 179.25 180.59 2wpg h GLN 69 N 0.75 0.76 0.00 0.00 5.75 -0.82 -1.97 115.11 119.58 2wpg h GLN 69 Ca 0.14 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 2wpg h GLN 69 Cb 0.56 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.94 2wpg h GLN 69 CO 0.03 0.50 0.00 0.00 -2.65 0.00 0.00 178.83 176.71 2wpg n ALA 70 N -2.45 2.28 -1.67 3.38 0.00 -1.00 -4.85 120.51 116.19 2wpg n ALA 70 Ca 0.06 -0.11 -0.44 0.00 0.00 0.00 0.00 53.44 52.95 2wpg n ALA 70 Cb 0.07 -1.43 -0.04 0.00 0.00 0.00 0.00 19.45 18.06 2wpg n ALA 70 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wpg n ARG 71 N -1.37 2.65 -1.71 0.00 0.63 -0.74 -4.91 116.66 111.22 2wpg n ARG 71 Ca 0.10 0.97 -0.37 0.00 -0.92 0.00 0.00 57.85 57.63 2wpg n ARG 71 Cb 0.25 -2.88 0.07 0.00 0.45 0.00 0.00 32.46 30.35 2wpg n ARG 71 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 2wpg n PRO 72 N 6.73 1.07 -0.30 -0.14 -0.02 -1.26 -4.71 135.00 136.37 2wpg n PRO 72 Ca 0.20 0.42 0.06 0.00 -2.02 0.00 0.00 63.50 62.16 2wpg n PRO 72 Cb 0.37 -2.46 0.21 0.00 -0.02 0.00 0.00 33.50 31.60 2wpg n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wpg h ALA 73 N 0.51 1.28 -0.21 3.55 0.00 -1.97 0.05 119.26 122.46 2wpg h ALA 73 Ca -0.50 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 2wpg h ALA 73 Cb 1.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2wpg h ALA 73 CO 0.52 -0.02 -0.04 0.00 0.00 0.00 0.00 179.25 179.71 2wpg h ALA 74 N 1.53 1.54 0.16 0.00 0.00 -2.00 -0.48 119.26 120.02 2wpg h ALA 74 Ca 0.45 -0.17 -0.32 0.00 0.00 0.00 0.00 54.91 54.88 2wpg h ALA 74 Cb 0.57 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2wpg h ALA 74 CO -0.32 0.33 -1.53 -0.07 0.00 0.00 0.00 179.25 177.65 2wpg h LEU 75 N 0.31 0.52 -0.97 0.00 3.38 -1.64 -3.06 115.31 113.85 2wpg h LEU 75 Ca 0.07 -0.68 0.16 0.00 0.09 0.00 0.00 57.88 57.52 2wpg h LEU 75 Cb 0.28 -0.17 -0.10 0.00 0.09 0.00 0.00 40.66 40.76 2wpg h LEU 75 CO 0.01 1.56 0.57 0.03 0.09 0.00 0.00 178.44 180.70 2wpg h ARG 76 N 0.09 0.77 -0.54 1.13 3.08 -0.74 -1.00 114.38 117.17 2wpg h ARG 76 Ca -0.25 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 2wpg h ARG 76 Cb 2.06 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.91 2wpg h ARG 76 CO 0.19 0.51 0.30 1.25 -1.07 0.00 0.00 179.97 181.15 2wpg h HIS 77 N 0.79 0.74 -0.48 3.04 2.76 -1.06 -0.46 115.15 120.48 2wpg h HIS 77 Ca 0.53 -0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.68 2wpg h HIS 77 Cb 0.73 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.43 2wpg h HIS 77 CO -0.03 0.54 0.29 -0.07 -1.30 0.00 0.00 177.93 177.36 2wpg h LEU 78 N 0.72 0.58 -0.86 0.26 3.38 -1.30 -0.75 115.31 117.34 2wpg h LEU 78 Ca 0.19 -0.06 0.18 0.00 0.09 0.00 0.00 57.88 58.28 2wpg h LEU 78 Cb 0.04 -0.15 -0.11 0.00 0.09 0.00 0.00 40.66 40.54 2wpg h LEU 78 CO -0.03 0.47 0.39 0.44 0.09 0.00 0.00 178.44 179.80 2wpg h ASP 79 N 0.64 0.39 1.15 -0.43 3.32 -0.55 0.78 116.42 121.72 2wpg h ASP 79 Ca 0.17 0.12 -0.15 0.00 0.02 0.00 0.00 57.03 57.19 2wpg h ASP 79 Cb -0.00 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2wpg h ASP 79 CO -0.03 0.10 -0.72 0.44 -1.72 0.00 0.00 179.24 177.30 2wpg h ASP 80 N 0.49 0.00 0.00 6.45 3.32 -0.40 -3.39 116.42 122.89 2wpg h ASP 80 Ca 0.50 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.37 2wpg h ASP 80 Cb 0.83 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.35 2wpg h ASP 80 CO -0.45 0.72 -1.78 -1.54 -1.72 0.00 0.00 179.24 174.47 2wpg n SER 81 N -3.35 2.02 -4.70 6.45 3.41 -0.35 -4.96 113.62 112.14 2wpg n SER 81 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 2wpg n SER 81 Cb 0.80 0.95 -0.03 0.00 -0.26 0.00 0.00 64.21 65.67 2wpg n SER 81 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2wpg s ARG 82 N -2.41 4.27 0.34 4.33 0.52 0.21 -5.00 118.95 121.21 2wpg s ARG 82 Ca -0.06 2.12 -0.21 0.00 -0.52 0.00 0.00 55.73 57.07 2wpg s ARG 82 Cb 0.05 -3.45 -0.10 0.00 0.52 0.00 0.00 34.95 31.97 2wpg s ARG 82 CO 0.50 -0.58 0.86 0.00 0.02 0.00 0.00 175.30 176.11 2wpg s ALA 83 N 1.97 3.21 0.22 2.13 0.00 -1.26 -4.94 121.76 123.08 2wpg s ALA 83 Ca 0.67 0.32 -0.31 0.00 0.00 0.00 0.00 51.96 52.63 2wpg s ALA 83 Cb -0.36 -3.02 -0.15 0.00 0.00 0.00 0.00 23.12 19.59 2wpg s ALA 83 CO 0.29 0.22 1.17 -2.30 0.00 0.00 0.00 175.76 175.14 2wpg n PRO 84 N -0.04 1.37 -0.80 0.00 -0.02 -1.26 -1.63 135.00 132.62 2wpg n PRO 84 Ca 0.03 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2wpg n PRO 84 Cb 0.52 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2wpg n PRO 84 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wpg n GLY 85 N 1.83 0.64 0.37 -1.23 0.00 -1.26 -4.93 105.19 100.61 2wpg n GLY 85 Ca 0.13 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 2wpg n GLY 85 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2wpg h TRP 86 N 0.00 0.45 0.00 1.61 5.08 -1.70 -1.83 115.95 119.57 2wpg h TRP 86 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 2wpg h TRP 86 Cb 0.00 -0.14 0.00 0.00 -3.00 0.00 0.00 29.16 26.02 2wpg h TRP 86 CO 0.00 0.20 0.00 1.97 -1.28 0.00 0.00 178.44 179.33 2wpg n PHE 87 N -4.47 0.00 0.46 0.12 1.16 -1.26 -2.92 117.46 110.55 2wpg n PHE 87 Ca 0.12 0.00 0.09 0.00 -1.87 0.00 0.00 57.45 55.79 2wpg n PHE 87 Cb 0.45 -0.33 0.13 0.00 -1.61 0.00 0.00 39.48 38.11 2wpg n PHE 87 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2wpg n GLY 88 N 0.79 1.04 3.73 4.97 0.00 -0.69 -4.48 105.19 110.55 2wpg n GLY 88 Ca 0.10 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 2wpg n GLY 88 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wpg s GLN 89 N -1.38 2.26 0.57 1.61 -1.52 -1.15 -0.89 119.66 119.18 2wpg s GLN 89 Ca 0.26 1.73 0.35 0.00 -1.95 0.00 0.00 55.36 55.76 2wpg s GLN 89 Cb 0.17 -1.85 1.70 0.00 -0.22 0.00 0.00 33.01 32.80 2wpg s GLN 89 CO 0.24 -1.74 2.12 -0.56 -0.25 0.00 0.00 175.29 175.10 2wpg h GLN 90 N -0.17 0.00 -0.05 2.91 -0.00 -1.86 -0.93 115.11 115.00 2wpg h GLN 90 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 2wpg h GLN 90 Cb 1.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.77 2wpg h GLN 90 CO 0.51 0.04 0.00 -0.40 -0.00 0.00 0.00 178.83 178.98 2wpg n ASP 91 N -3.26 0.59 -4.69 0.06 5.75 -1.26 -3.89 116.55 109.84 2wpg n ASP 91 Ca -0.01 -1.50 -0.42 0.00 -0.01 0.00 0.00 54.79 52.84 2wpg n ASP 91 Cb 0.22 -0.03 -0.03 0.00 -1.03 0.00 0.00 41.12 40.25 2wpg n ASP 91 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2wpg s MET 92 N -1.93 4.42 -0.00 0.11 -1.94 -0.36 -4.67 119.30 114.93 2wpg s MET 92 Ca 0.30 1.47 0.01 0.00 -1.71 0.00 0.00 55.69 55.76 2wpg s MET 92 Cb 0.15 -3.53 -0.00 0.00 2.01 0.00 0.00 34.83 33.46 2wpg s MET 92 CO 0.24 -0.32 -0.02 -1.17 -0.01 0.00 0.00 175.02 173.74 2wpg s LEU 93 N 1.92 1.97 0.32 -0.03 2.96 -1.26 -4.46 118.68 120.09 2wpg s LEU 93 Ca 0.51 -0.04 0.09 0.00 -0.22 0.00 0.00 54.13 54.47 2wpg s LEU 93 Cb -0.20 -0.12 -0.05 0.00 0.50 0.00 0.00 46.19 46.32 2wpg s LEU 93 CO 0.20 0.02 0.04 -0.83 -1.32 0.00 0.00 176.35 174.47 2wpg s GLY 94 N -0.01 1.92 -0.13 7.98 0.00 0.11 -0.53 107.32 116.67 2wpg s GLY 94 Ca 0.00 -1.84 -0.09 0.00 0.00 0.00 0.00 44.72 42.80 2wpg s GLY 94 CO -0.00 -1.81 0.33 -0.47 0.00 0.00 0.00 173.10 171.14 2wpg s TYR 95 N -2.44 -0.42 -0.07 1.90 5.04 -0.11 -0.86 117.35 120.39 2wpg s TYR 95 Ca 0.35 0.97 0.04 0.00 -2.44 0.00 0.00 57.07 55.98 2wpg s TYR 95 Cb -0.03 0.14 0.00 0.00 0.35 0.00 0.00 41.96 42.43 2wpg s TYR 95 CO 0.20 -0.24 -0.19 0.45 -1.34 0.00 0.00 175.55 174.43 2wpg s SER 96 N 0.84 2.53 0.02 4.32 0.15 -0.29 -0.01 113.70 121.27 2wpg s SER 96 Ca -0.05 -0.44 -0.25 0.00 0.70 0.00 0.00 55.95 55.91 2wpg s SER 96 Cb -0.06 -1.02 0.06 0.00 -1.71 0.00 0.00 66.02 63.28 2wpg s SER 96 CO -0.06 0.13 0.56 0.00 1.20 0.00 0.00 173.24 175.07 2wpg s ALA 97 N 0.32 -1.45 0.32 5.45 0.00 -0.25 -1.38 121.76 124.77 2wpg s ALA 97 Ca -0.13 0.79 -0.28 0.00 0.00 0.00 0.00 51.96 52.34 2wpg s ALA 97 Cb -0.16 0.30 -0.09 0.00 0.00 0.00 0.00 23.12 23.17 2wpg s ALA 97 CO 0.06 -0.47 1.10 0.71 0.00 0.00 0.00 175.76 177.15 2wpg s TYR 98 N -2.12 3.44 0.07 0.00 2.02 -1.26 -0.82 117.35 118.67 2wpg s TYR 98 Ca -0.07 1.67 -0.26 0.00 -0.37 0.00 0.00 57.07 58.03 2wpg s TYR 98 Cb -0.01 -3.26 -0.17 0.00 -0.40 0.00 0.00 41.96 38.13 2wpg s TYR 98 CO 0.01 -0.66 1.63 0.28 -1.57 0.00 0.00 175.55 175.24 2wpg h VAL 99 N 2.77 0.79 -0.37 0.71 2.07 -1.91 -1.32 116.25 119.01 2wpg h VAL 99 Ca -0.47 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 2wpg h VAL 99 Cb 1.21 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 2wpg h VAL 99 CO 0.65 0.03 0.19 -2.24 0.02 0.00 0.00 177.57 176.22 2wpg h ASP 100 N -0.38 0.46 -0.16 0.57 2.03 -1.92 -1.76 116.42 115.26 2wpg h ASP 100 Ca -0.03 -0.10 -0.09 0.00 -0.73 0.00 0.00 57.03 56.08 2wpg h ASP 100 Cb 0.29 -0.12 -0.02 0.00 -0.83 0.00 0.00 39.33 38.66 2wpg h ASP 100 CO 0.05 0.43 -0.18 0.03 -1.03 0.00 0.00 179.24 178.54 2wpg h ARG 101 N 0.46 0.58 0.03 4.15 2.47 -1.88 -0.94 114.38 119.25 2wpg h ARG 101 Ca 0.13 -0.20 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 2wpg h ARG 101 Cb 0.07 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 2wpg h ARG 101 CO -0.02 0.74 -0.01 0.35 0.56 0.00 0.00 179.97 181.58 2wpg h PHE 102 N 0.52 -0.03 0.00 3.04 3.57 -1.09 0.43 116.94 123.38 2wpg h PHE 102 Ca 0.08 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 2wpg h PHE 102 Cb 0.61 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 2wpg h PHE 102 CO 0.02 0.59 -0.18 0.00 -2.23 0.00 0.00 178.31 176.51 2wpg n ALA 103 N -2.46 2.32 0.00 2.41 0.00 -0.71 -4.58 120.51 117.49 2wpg n ALA 103 Ca -0.09 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.95 2wpg n ALA 103 Cb 0.32 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2wpg n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wpg n GLY 104 N 0.02 1.54 3.36 0.00 0.00 -0.36 -4.18 105.19 105.58 2wpg n GLY 104 Ca -0.05 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 2wpg n GLY 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wpg s THR 105 N 0.00 0.00 0.20 2.61 -4.23 -1.26 -4.03 115.64 108.94 2wpg s THR 105 Ca 0.00 -1.77 -0.10 0.00 -1.18 0.00 0.00 61.69 58.64 2wpg s THR 105 Cb 0.00 -2.40 0.13 0.00 1.34 0.00 0.00 72.50 71.58 2wpg s THR 105 CO 0.00 0.00 1.79 -0.07 -0.54 0.00 0.00 174.62 175.80 2wpg h LEU 106 N 2.46 0.95 -0.86 4.79 3.38 -1.43 0.11 115.31 124.71 2wpg h LEU 106 Ca -0.32 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 57.57 2wpg h LEU 106 Cb 1.25 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 2wpg h LEU 106 CO 0.46 0.81 0.54 0.03 0.09 0.00 0.00 178.44 180.37 2wpg h ARG 107 N 1.02 0.99 -0.72 1.13 3.08 -1.86 -1.30 114.38 116.72 2wpg h ARG 107 Ca 0.25 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 2wpg h ARG 107 Cb 0.11 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 2wpg h ARG 107 CO -0.03 0.66 0.36 0.78 -1.07 0.00 0.00 179.97 180.66 2wpg h GLY 108 N 1.02 1.11 0.98 0.04 0.00 -1.49 -2.15 103.07 102.57 2wpg h GLY 108 Ca 0.36 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 47.15 2wpg h GLY 108 CO -0.14 0.52 0.37 -2.08 0.00 0.00 0.00 176.54 175.20 2wpg h VAL 109 N 1.01 1.13 -0.74 4.60 2.07 -0.55 -2.16 116.25 121.60 2wpg h VAL 109 Ca 0.25 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.56 2wpg h VAL 109 Cb 0.10 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 2wpg h VAL 109 CO -0.03 0.14 0.49 0.00 0.02 0.00 0.00 177.57 178.18 2wpg h ALA 110 N 1.22 1.63 0.00 1.67 0.00 -0.82 -0.89 119.26 122.06 2wpg h ALA 110 Ca 0.21 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wpg h ALA 110 Cb -0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 2wpg h ALA 110 CO -0.06 0.28 -0.00 0.93 0.00 0.00 0.00 179.25 180.40 2wpg h GLU 111 N 0.84 0.00 -0.70 0.00 5.08 -0.76 -2.77 114.58 116.26 2wpg h GLU 111 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2wpg h GLU 111 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2wpg h GLU 111 CO -0.10 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.45 2wpg n ARG 112 N -3.09 2.88 -0.30 2.33 5.12 -0.36 -4.50 116.66 118.73 2wpg n ARG 112 Ca 0.01 -2.67 0.03 0.00 -1.93 0.00 0.00 57.85 53.29 2wpg n ARG 112 Cb 0.30 -1.60 0.17 0.00 -1.16 0.00 0.00 32.46 30.17 2wpg n ARG 112 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2wpg h VAL 113 N 4.14 0.94 -0.58 1.55 2.07 -1.31 -2.08 116.25 120.99 2wpg h VAL 113 Ca 0.00 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.28 2wpg h VAL 113 Cb 1.04 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 2wpg h VAL 113 CO 0.03 0.16 0.38 -0.65 0.02 0.00 0.00 177.57 177.51 2wpg h PRO 114 N 0.85 0.55 -0.19 1.57 0.11 -1.84 0.21 132.00 133.26 2wpg h PRO 114 Ca 0.40 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.49 2wpg h PRO 114 Cb 0.33 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 2wpg h PRO 114 CO -0.23 0.36 0.10 -0.92 -0.21 0.00 0.00 178.00 177.10 2wpg h TYR 115 N 0.56 0.19 -0.28 0.65 3.20 -1.71 -0.51 116.97 119.07 2wpg h TYR 115 Ca 0.25 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 2wpg h TYR 115 Cb 0.26 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 2wpg h TYR 115 CO -0.00 0.11 0.09 -0.07 -1.64 0.00 0.00 178.16 176.65 2wpg h LEU 116 N 0.21 0.40 -0.68 2.82 3.38 -0.98 -2.19 115.31 118.28 2wpg h LEU 116 Ca 0.08 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2wpg h LEU 116 Cb 0.01 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2wpg h LEU 116 CO -0.04 0.49 0.41 -0.61 0.09 0.00 0.00 178.44 178.78 2wpg h GLN 117 N 0.29 0.78 -0.33 1.13 4.15 -0.53 -1.49 115.11 119.11 2wpg h GLN 117 Ca 0.09 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.39 2wpg h GLN 117 Cb 0.23 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 2wpg h GLN 117 CO -0.00 0.52 -0.09 1.49 -1.93 0.00 0.00 178.83 178.81 2wpg h GLU 118 N 0.80 0.55 0.00 1.69 4.81 -0.98 -1.80 114.58 119.66 2wpg h GLU 118 Ca 0.28 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 2wpg h GLU 118 Cb 0.05 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2wpg h GLU 118 CO -0.12 0.65 -0.21 1.25 -0.73 0.00 0.00 179.01 179.85 2wpg h LEU 119 N 0.52 0.00 0.00 1.64 5.85 -0.78 -3.46 115.31 119.08 2wpg h LEU 119 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2wpg h LEU 119 Cb 0.48 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2wpg h LEU 119 CO 0.03 0.21 0.00 0.61 -0.34 0.00 0.00 178.44 178.94 2wpg n GLY 120 N -0.72 1.18 3.71 3.75 0.00 -0.68 -4.95 105.19 107.48 2wpg n GLY 120 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2wpg n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wpg s VAL 121 N -2.00 3.57 -0.22 1.61 1.01 -0.64 -4.32 120.40 119.40 2wpg s VAL 121 Ca 0.00 1.11 0.02 0.00 0.00 0.00 0.00 61.98 63.10 2wpg s VAL 121 Cb 0.00 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2wpg s VAL 121 CO 0.00 0.07 0.54 0.54 0.00 0.00 0.00 175.10 176.26 2wpg n ARG 122 N 4.15 -0.56 -3.50 2.72 1.74 0.31 -4.60 116.66 116.92 2wpg n ARG 122 Ca 0.11 -0.59 -0.17 0.00 -0.77 0.00 0.00 57.85 56.43 2wpg n ARG 122 Cb 0.44 -1.02 -0.12 0.00 -1.02 0.00 0.00 32.46 30.73 2wpg n ARG 122 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 2wpg s TYR 123 N -0.18 -0.36 -0.22 -1.55 6.14 -0.74 -0.62 117.35 119.82 2wpg s TYR 123 Ca 0.02 0.39 -0.01 0.00 0.64 0.00 0.00 57.07 58.11 2wpg s TYR 123 Cb 0.01 -0.28 0.02 0.00 0.42 0.00 0.00 41.96 42.14 2wpg s TYR 123 CO 0.02 -0.58 -0.10 -1.17 0.64 0.00 0.00 175.55 174.36 2wpg s LEU 124 N 2.36 2.84 -0.40 6.97 2.96 0.10 -0.93 118.68 132.59 2wpg s LEU 124 Ca 0.07 -0.78 -0.17 0.00 -0.22 0.00 0.00 54.13 53.03 2wpg s LEU 124 Cb -0.15 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 44.94 2wpg s LEU 124 CO -0.12 -0.08 0.43 -2.28 -1.32 0.00 0.00 176.35 172.98 2wpg s HIS 125 N 1.32 3.18 -0.27 5.38 5.65 0.99 -0.36 115.29 131.18 2wpg s HIS 125 Ca 0.02 -0.27 -0.16 0.00 0.25 0.00 0.00 55.06 54.90 2wpg s HIS 125 Cb -0.15 -2.85 -0.03 0.00 -1.18 0.00 0.00 32.58 28.36 2wpg s HIS 125 CO -0.07 -0.64 0.41 -0.51 -0.65 0.00 0.00 174.74 173.28 2wpg s LEU 126 N 2.13 4.06 1.13 8.88 1.43 -1.01 -1.09 118.68 134.22 2wpg s LEU 126 Ca 0.12 0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 2wpg s LEU 126 Cb -0.17 -2.48 0.27 0.00 0.03 0.00 0.00 46.19 43.84 2wpg s LEU 126 CO 0.13 -0.22 1.04 -0.76 0.23 0.00 0.00 176.35 176.77 2wpg s LEU 127 N 2.13 1.08 -0.21 1.79 1.43 0.00 -4.40 118.68 120.50 2wpg s LEU 127 Ca 0.16 1.59 -0.40 0.00 -1.03 0.00 0.00 54.13 54.45 2wpg s LEU 127 Cb -0.16 -3.56 -0.17 0.00 0.03 0.00 0.00 46.19 42.34 2wpg s LEU 127 CO 0.10 -4.07 1.61 -2.65 0.23 0.00 0.00 176.35 171.57 2wpg n PRO 128 N -4.83 0.97 0.00 1.29 -0.02 -1.26 -4.59 135.00 126.56 2wpg n PRO 128 Ca 0.04 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2wpg n PRO 128 Cb 0.54 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2wpg n PRO 128 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2wpg n PHE 129 N 4.44 0.00 -2.45 6.00 1.16 -1.26 -4.86 117.46 120.49 2wpg n PHE 129 Ca 0.25 -0.07 -0.32 0.00 -1.87 0.00 0.00 57.45 55.44 2wpg n PHE 129 Cb 0.12 -0.01 -0.04 0.00 -1.61 0.00 0.00 39.48 37.94 2wpg n PHE 129 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2wpg s LEU 130 N -0.14 3.66 0.11 5.98 1.43 -1.26 -0.65 118.68 127.80 2wpg s LEU 130 Ca 0.00 1.55 -0.35 0.00 -1.03 0.00 0.00 54.13 54.31 2wpg s LEU 130 Cb 0.00 -4.48 -0.14 0.00 0.03 0.00 0.00 46.19 41.59 2wpg s LEU 130 CO 0.00 -0.56 1.55 -1.14 0.23 0.00 0.00 176.35 176.43 2wpg n ARG 131 N -1.50 1.89 -4.53 1.70 0.63 0.12 -4.23 116.66 110.74 2wpg n ARG 131 Ca 0.06 0.68 -0.25 0.00 -0.92 0.00 0.00 57.85 57.43 2wpg n ARG 131 Cb 0.54 -2.43 -0.11 0.00 0.45 0.00 0.00 32.46 30.92 2wpg n ARG 131 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wpg s ALA 132 N 1.13 2.74 0.32 5.13 0.00 -1.26 0.02 121.76 129.85 2wpg s ALA 132 Ca 0.82 -2.16 -0.28 0.00 0.00 0.00 0.00 51.96 50.34 2wpg s ALA 132 Cb -0.76 0.37 -0.13 0.00 0.00 0.00 0.00 23.12 22.60 2wpg s ALA 132 CO 0.42 -0.19 1.19 -2.13 0.00 0.00 0.00 175.76 175.05 2wpg n ARG 133 N -0.81 1.83 -1.73 0.00 0.63 -0.49 -4.65 116.66 111.45 2wpg n ARG 133 Ca -0.04 0.64 -0.42 0.00 -0.92 0.00 0.00 57.85 57.12 2wpg n ARG 133 Cb 0.66 -2.15 -0.02 0.00 0.45 0.00 0.00 32.46 31.40 2wpg n ARG 133 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2wpg n ALA 134 N 0.36 2.77 0.00 5.13 0.00 -1.26 -4.50 120.51 123.01 2wpg n ALA 134 Ca 0.07 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2wpg n ALA 134 Cb 0.34 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.29 2wpg n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wpg n GLY 135 N 3.32 0.62 3.75 0.00 0.00 -1.26 -4.81 105.19 106.80 2wpg n GLY 135 Ca 0.13 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 2wpg n GLY 135 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wpg s ASP 136 N -4.00 6.94 0.00 1.61 1.01 -1.26 -4.92 116.67 116.05 2wpg s ASP 136 Ca 0.00 2.42 0.06 0.00 0.71 0.00 0.00 52.55 55.74 2wpg s ASP 136 Cb 0.00 -2.62 0.10 0.00 1.01 0.00 0.00 42.92 41.41 2wpg s ASP 136 CO 0.00 -0.47 0.91 -0.46 0.21 0.00 0.00 175.17 175.37 2wpg n ASN 137 N 2.11 0.06 -3.66 0.27 0.23 -1.26 -4.72 115.26 108.30 2wpg n ASN 137 Ca 0.04 -1.75 -0.22 0.00 -0.53 0.00 0.00 54.58 52.12 2wpg n ASN 137 Cb 0.43 -0.09 0.05 0.00 -2.08 0.00 0.00 39.78 38.09 2wpg n ASN 137 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 2wpg n ASP 138 N 0.12 -2.40 -2.27 0.53 2.03 -1.26 -1.34 116.55 111.96 2wpg n ASP 138 Ca -0.03 -0.74 -0.20 0.00 0.52 0.00 0.00 54.79 54.34 2wpg n ASP 138 Cb 0.76 -4.39 -0.01 0.00 -0.72 0.00 0.00 41.12 36.76 2wpg n ASP 138 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2wpg n GLY 139 N -1.52 -0.44 1.01 0.27 0.00 -1.26 -1.68 105.19 101.57 2wpg n GLY 139 Ca -0.22 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2wpg n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wpg n GLY 140 N -1.05 0.91 0.03 -0.02 0.00 -0.68 -4.73 105.19 99.65 2wpg n GLY 140 Ca -0.22 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.94 2wpg n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wpg n PHE 141 N -2.00 0.00 -3.23 1.61 3.72 -0.68 -4.35 117.46 112.53 2wpg n PHE 141 Ca 0.00 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.94 2wpg n PHE 141 Cb 0.00 -0.25 -0.03 0.00 -0.94 0.00 0.00 39.48 38.26 2wpg n PHE 141 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wpg s ALA 142 N -2.53 3.77 -0.11 4.37 0.00 -0.45 -4.86 121.76 121.95 2wpg s ALA 142 Ca 0.29 -2.88 -0.19 0.00 0.00 0.00 0.00 51.96 49.18 2wpg s ALA 142 Cb 0.20 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 2wpg s ALA 142 CO 0.47 -2.33 0.52 0.08 0.00 0.00 0.00 175.76 174.50 2wpg s VAL 143 N 1.28 5.16 -0.31 0.00 1.01 -1.26 -1.40 120.40 124.88 2wpg s VAL 143 Ca 0.15 1.05 0.22 0.00 0.00 0.00 0.00 61.98 63.40 2wpg s VAL 143 Cb -0.16 -3.86 -0.28 0.00 0.00 0.00 0.00 36.38 32.08 2wpg s VAL 143 CO -0.04 0.31 0.65 -1.20 0.00 0.00 0.00 175.10 174.83 2wpg n SER 144 N 3.68 0.32 -3.16 3.32 7.64 0.10 -0.60 113.62 124.92 2wpg n SER 144 Ca -0.06 -0.23 0.04 0.00 1.01 0.00 0.00 58.87 59.64 2wpg n SER 144 Cb 0.52 1.59 -0.01 0.00 -1.01 0.00 0.00 64.21 65.29 2wpg n SER 144 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2wpg s ASP 145 N -4.17 -1.13 0.00 6.43 -1.08 -1.05 -3.84 116.67 111.83 2wpg s ASP 145 Ca -0.03 0.73 0.15 0.00 -0.52 0.00 0.00 52.55 52.88 2wpg s ASP 145 Cb 0.14 1.96 0.68 0.00 -1.46 0.00 0.00 42.92 44.24 2wpg s ASP 145 CO 0.89 -0.21 1.46 -1.22 0.52 0.00 0.00 175.17 176.60 2wpg n TYR 146 N 5.44 0.00 -0.48 -5.34 4.01 -1.26 -3.14 117.16 116.39 2wpg n TYR 146 Ca -0.03 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.77 2wpg n TYR 146 Cb 0.52 -0.42 0.14 0.00 -0.31 0.00 0.00 39.34 39.26 2wpg n TYR 146 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wpg n GLY 147 N 0.02 3.49 2.77 2.72 0.00 -1.26 -4.82 105.19 108.12 2wpg n GLY 147 Ca 0.05 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.34 2wpg n GLY 147 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wpg s GLN 148 N -1.76 0.03 0.37 1.61 0.74 -1.19 -5.00 119.66 114.47 2wpg s GLN 148 Ca 0.23 0.18 -0.28 0.00 0.05 0.00 0.00 55.36 55.55 2wpg s GLN 148 Cb 0.17 -0.32 -0.10 0.00 1.10 0.00 0.00 33.01 33.86 2wpg s GLN 148 CO 0.08 -0.18 1.37 0.08 -0.55 0.00 0.00 175.29 176.10 2wpg s VAL 149 N 1.16 2.42 -0.11 1.34 1.01 -1.26 0.15 120.40 125.11 2wpg s VAL 149 Ca -0.08 0.41 -0.33 0.00 0.00 0.00 0.00 61.98 61.99 2wpg s VAL 149 Cb -0.13 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.89 2wpg s VAL 149 CO -0.03 0.09 1.98 1.21 0.00 0.00 0.00 175.10 178.35 2wpg n GLU 150 N 0.47 2.17 -0.34 2.72 4.07 0.17 -4.28 120.64 125.61 2wpg n GLU 150 Ca 0.01 0.76 0.10 0.00 -0.06 0.00 0.00 57.16 57.97 2wpg n GLU 150 Cb 0.41 -2.78 0.27 0.00 -0.06 0.00 0.00 31.44 29.29 2wpg n GLU 150 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 2wpg h PRO 151 N 10.59 0.79 0.00 5.31 0.11 -1.90 0.27 132.00 147.16 2wpg h PRO 151 Ca -0.46 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2wpg h PRO 151 Cb 1.27 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2wpg h PRO 151 CO 0.96 0.52 0.00 0.00 -0.21 0.00 0.00 178.00 179.27 2wpg h ALA 152 N 1.59 1.00 0.00 -0.75 0.00 -1.98 -1.81 119.26 117.31 2wpg h ALA 152 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2wpg h ALA 152 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2wpg h ALA 152 CO -0.34 0.00 -1.84 1.28 0.00 0.00 0.00 179.25 178.35 2wpg n LEU 153 N -2.74 0.16 0.00 0.00 4.77 0.89 -4.88 117.00 115.20 2wpg n LEU 153 Ca -0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2wpg n LEU 153 Cb 0.07 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2wpg n LEU 153 CO 0.16 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2wpg n GLY 154 N 1.30 0.30 3.74 -0.72 0.00 -0.68 -1.08 105.19 108.05 2wpg n GLY 154 Ca -0.03 -1.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.02 2wpg n GLY 154 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wpg s SER 155 N -4.00 4.24 0.29 1.61 1.04 -1.26 -3.84 113.70 111.78 2wpg s SER 155 Ca 0.00 -1.34 -0.02 0.00 0.48 0.00 0.00 55.95 55.07 2wpg s SER 155 Cb 0.00 -0.03 0.42 0.00 0.10 0.00 0.00 66.02 66.50 2wpg s SER 155 CO 0.00 -0.70 1.94 0.78 0.98 0.00 0.00 173.24 176.25 2wpg h ASN 156 N 1.38 0.95 -0.86 7.02 4.21 -1.95 -1.85 115.58 124.48 2wpg h ASN 156 Ca -0.43 -0.04 0.03 0.00 1.21 0.00 0.00 56.30 57.07 2wpg h ASN 156 Cb 1.28 -0.24 -0.05 0.00 -1.12 0.00 0.00 38.32 38.19 2wpg h ASN 156 CO 0.72 0.72 0.57 0.44 -1.29 0.00 0.00 177.43 178.58 2wpg h ASP 157 N 1.10 0.93 -0.60 5.81 3.32 -1.99 0.09 116.42 125.08 2wpg h ASP 157 Ca 0.29 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 2wpg h ASP 157 Cb -0.07 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 2wpg h ASP 157 CO -0.06 0.64 0.12 0.44 -1.72 0.00 0.00 179.24 178.66 2wpg h ASP 158 N 1.08 0.96 -0.30 6.45 3.32 -1.75 -0.91 116.42 125.28 2wpg h ASP 158 Ca 0.34 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 2wpg h ASP 158 Cb 0.02 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 2wpg h ASP 158 CO -0.10 0.95 0.07 0.25 -1.72 0.00 0.00 179.24 178.70 2wpg h LEU 159 N 0.96 0.45 -0.53 1.55 5.85 -0.80 0.20 115.31 122.99 2wpg h LEU 159 Ca 0.20 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.76 2wpg h LEU 159 Cb 0.39 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 2wpg h LEU 159 CO 0.01 0.57 0.21 0.58 -0.34 0.00 0.00 178.44 179.46 2wpg h VAL 160 N 0.32 0.84 -0.50 1.05 2.07 -0.79 -0.81 116.25 118.42 2wpg h VAL 160 Ca 0.09 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.42 2wpg h VAL 160 Cb 0.29 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2wpg h VAL 160 CO 0.00 0.07 0.09 0.00 0.02 0.00 0.00 177.57 177.76 2wpg h ALA 161 N 1.35 0.67 -0.28 1.67 0.00 -0.87 -2.12 119.26 119.67 2wpg h ALA 161 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2wpg h ALA 161 Cb 0.27 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2wpg h ALA 161 CO -0.24 0.39 0.18 1.25 0.00 0.00 0.00 179.25 180.83 2wpg h LEU 162 N 0.71 0.33 -1.03 0.00 5.85 -0.20 -1.39 115.31 119.57 2wpg h LEU 162 Ca 0.15 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 2wpg h LEU 162 Cb 0.38 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2wpg h LEU 162 CO 0.01 0.26 -0.39 0.71 -0.34 0.00 0.00 178.44 178.69 2wpg h THR 163 N 0.37 1.30 -0.59 1.05 1.35 -1.06 0.17 112.91 115.50 2wpg h THR 163 Ca 0.10 -1.44 -0.07 0.00 -0.55 0.00 0.00 66.41 64.46 2wpg h THR 163 Cb -0.02 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 2wpg h THR 163 CO -0.02 0.43 0.10 0.00 -0.25 0.00 0.00 175.52 175.78 2wpg h ALA 164 N 1.45 0.79 -0.48 6.62 0.00 -1.13 0.05 119.26 126.54 2wpg h ALA 164 Ca 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2wpg h ALA 164 Cb 0.76 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2wpg h ALA 164 CO 0.06 0.53 0.14 -0.09 0.00 0.00 0.00 179.25 179.90 2wpg h ARG 165 N 0.88 0.76 -0.48 0.00 9.65 -0.69 -2.56 114.38 121.94 2wpg h ARG 165 Ca 0.18 -0.17 0.01 0.00 -1.10 0.00 0.00 59.98 58.90 2wpg h ARG 165 Cb 0.42 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.86 2wpg h ARG 165 CO 0.01 0.72 0.31 -0.07 2.80 0.00 0.00 179.97 183.74 2wpg h LEU 166 N 0.65 0.53 -1.06 3.80 3.38 -0.40 -2.70 115.31 119.51 2wpg h LEU 166 Ca 0.16 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 2wpg h LEU 166 Cb 0.28 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 2wpg h LEU 166 CO -0.00 0.38 0.19 0.03 0.09 0.00 0.00 178.44 179.12 2wpg h ARG 167 N 0.63 0.86 0.00 1.13 3.08 -0.85 0.13 114.38 119.36 2wpg h ARG 167 Ca 0.18 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2wpg h ARG 167 Cb -0.04 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 2wpg h ARG 167 CO -0.06 0.74 -0.12 0.00 -1.07 0.00 0.00 179.97 179.46 2wpg h ALA 168 N 1.36 1.72 -0.34 0.04 0.00 -1.16 -0.60 119.26 120.28 2wpg h ALA 168 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wpg h ALA 168 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2wpg h ALA 168 CO -0.01 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.39 2wpg n ALA 169 N -2.48 2.46 -3.01 0.00 0.00 -0.28 -4.93 120.51 112.27 2wpg n ALA 169 Ca -0.03 -0.72 -0.18 0.00 0.00 0.00 0.00 53.44 52.51 2wpg n ALA 169 Cb 0.20 -1.00 0.04 0.00 0.00 0.00 0.00 19.45 18.69 2wpg n ALA 169 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2wpg n ASN 170 N 0.74 -5.31 -4.44 0.00 5.15 -0.23 -4.94 115.26 106.22 2wpg n ASN 170 Ca 0.16 -0.29 -0.33 0.00 -0.60 0.00 0.00 54.58 53.52 2wpg n ASN 170 Cb 0.39 -4.08 -0.13 0.00 -0.53 0.00 0.00 39.78 35.43 2wpg n ASN 170 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2wpg s ILE 171 N -3.11 3.18 -0.21 -1.44 1.01 0.28 -4.60 121.20 116.31 2wpg s ILE 171 Ca 0.31 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 2wpg s ILE 171 Cb -0.14 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 2wpg s ILE 171 CO 0.38 0.56 0.09 -0.44 0.00 0.00 0.00 174.94 175.53 2wpg s SER 172 N -0.20 5.60 -0.11 3.58 0.01 0.21 -3.73 113.70 119.06 2wpg s SER 172 Ca 0.01 0.01 -0.29 0.00 1.31 0.00 0.00 55.95 56.98 2wpg s SER 172 Cb -0.13 -1.99 -0.01 0.00 0.21 0.00 0.00 66.02 64.10 2wpg s SER 172 CO 0.03 0.09 0.99 -0.22 0.41 0.00 0.00 173.24 174.54 2wpg s LEU 173 N 0.89 4.24 -0.20 2.44 2.96 -1.26 -0.72 118.68 127.03 2wpg s LEU 173 Ca 0.05 1.50 -0.09 0.00 -0.22 0.00 0.00 54.13 55.37 2wpg s LEU 173 Cb -0.14 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 2wpg s LEU 173 CO 0.03 -0.45 0.10 0.00 -1.32 0.00 0.00 176.35 174.70 2wpg s ALA 175 N 0.49 1.82 0.33 0.00 0.00 -0.24 -2.41 121.76 121.74 2wpg s ALA 175 Ca 0.05 -1.12 -0.29 0.00 0.00 0.00 0.00 51.96 50.60 2wpg s ALA 175 Cb -0.12 -0.33 -0.10 0.00 0.00 0.00 0.00 23.12 22.57 2wpg s ALA 175 CO 0.00 0.40 1.27 -0.51 0.00 0.00 0.00 175.76 176.92 2wpg s ASP 176 N -1.36 6.83 -0.30 0.00 1.01 -1.26 -1.42 116.67 120.17 2wpg s ASP 176 Ca 0.08 2.61 0.02 0.00 0.71 0.00 0.00 52.55 55.96 2wpg s ASP 176 Cb -0.09 -2.64 0.09 0.00 1.01 0.00 0.00 42.92 41.28 2wpg s ASP 176 CO 0.02 -0.49 0.03 0.12 0.21 0.00 0.00 175.17 175.06 2wpg s PHE 177 N -1.16 2.73 -1.13 4.23 5.36 -0.15 -4.85 117.98 123.02 2wpg s PHE 177 Ca 0.49 -2.23 -0.21 0.00 -0.96 0.00 0.00 56.93 54.02 2wpg s PHE 177 Cb -0.38 -2.12 0.06 0.00 -0.34 0.00 0.00 43.02 40.24 2wpg s PHE 177 CO 0.50 -0.87 1.55 0.08 -1.46 0.00 0.00 175.22 175.02 2wpg s VAL 178 N 1.27 4.03 0.32 3.12 1.01 -1.26 -2.11 120.40 126.78 2wpg s VAL 178 Ca 0.05 -1.25 0.07 0.00 0.00 0.00 0.00 61.98 60.84 2wpg s VAL 178 Cb -0.18 -5.10 0.08 0.00 0.00 0.00 0.00 36.38 31.17 2wpg s VAL 178 CO -0.12 -1.96 1.77 -0.07 0.00 0.00 0.00 175.10 174.72 2wpg h LEU 179 N 12.61 0.28 0.00 3.92 3.38 -1.92 -3.33 115.31 130.25 2wpg h LEU 179 Ca 0.30 -0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.95 2wpg h LEU 179 Cb 0.95 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2wpg h LEU 179 CO 1.43 0.57 -1.03 -1.13 0.09 0.00 0.00 178.44 178.37 2wpg h ASN 180 N 0.25 0.07 -5.02 -0.43 -0.73 -1.81 -3.45 115.58 104.46 2wpg h ASN 180 Ca 0.03 -0.08 -0.05 0.00 1.87 0.00 0.00 56.30 58.08 2wpg h ASN 180 Cb 0.65 -0.02 -0.15 0.00 0.27 0.00 0.00 38.32 39.07 2wpg h ASN 180 CO 0.05 1.05 0.08 -1.38 -0.37 0.00 0.00 177.43 176.86 2wpg s HIS 181 N -2.72 -0.44 0.37 0.67 -3.43 -1.25 -0.13 115.29 108.35 2wpg s HIS 181 Ca 0.00 0.42 0.09 0.00 -0.80 0.00 0.00 55.06 54.76 2wpg s HIS 181 Cb 0.10 0.39 -0.07 0.00 -1.43 0.00 0.00 32.58 31.57 2wpg s HIS 181 CO 0.83 -0.70 -0.02 0.95 -2.00 0.00 0.00 174.74 173.80 2wpg s THR 182 N -2.85 2.26 0.65 -5.38 -4.23 -0.77 -4.72 115.64 100.61 2wpg s THR 182 Ca -0.03 -2.06 -0.17 0.00 -1.18 0.00 0.00 61.69 58.25 2wpg s THR 182 Cb -0.00 -2.80 -0.01 0.00 1.34 0.00 0.00 72.50 71.03 2wpg s THR 182 CO -0.05 -0.13 1.18 0.00 -0.54 0.00 0.00 174.62 175.08 2wpg s ALA 183 N -2.62 2.41 -2.00 3.99 0.00 0.23 -1.57 121.76 122.20 2wpg s ALA 183 Ca 0.34 0.85 0.09 0.00 0.00 0.00 0.00 51.96 53.24 2wpg s ALA 183 Cb 0.04 -3.42 0.55 0.00 0.00 0.00 0.00 23.12 20.30 2wpg s ALA 183 CO 0.18 -1.38 1.22 -0.40 0.00 0.00 0.00 175.76 175.38 2wpg n ASP 184 N -2.11 0.00 -0.13 0.00 5.75 -0.05 -1.86 116.55 118.15 2wpg n ASP 184 Ca 0.13 -1.37 0.02 0.00 -0.01 0.00 0.00 54.79 53.56 2wpg n ASP 184 Cb 0.50 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.63 2wpg n ASP 184 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2wpg n ASP 185 N -0.68 2.21 -4.58 -1.12 5.75 -1.26 -4.45 116.55 112.42 2wpg n ASP 185 Ca 0.07 -2.08 -0.37 0.00 -0.01 0.00 0.00 54.79 52.41 2wpg n ASP 185 Cb 0.03 -0.07 0.07 0.00 -1.03 0.00 0.00 41.12 40.12 2wpg n ASP 185 CO 0.00 0.00 0.00 1.57 -0.11 0.00 0.00 177.20 178.66 2wpg n HIS 186 N -0.38 0.36 -0.18 2.11 -0.00 -0.78 -4.71 115.22 111.64 2wpg n HIS 186 Ca 0.03 0.40 0.12 0.00 0.46 0.00 0.00 57.72 58.73 2wpg n HIS 186 Cb 0.31 -2.06 0.43 0.00 -0.12 0.00 0.00 29.99 28.56 2wpg n HIS 186 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2wpg h ALA 187 N -0.00 1.93 -0.39 1.57 0.00 -1.91 -0.11 119.26 120.34 2wpg h ALA 187 Ca -0.47 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 2wpg h ALA 187 Cb 1.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2wpg h ALA 187 CO 0.47 -0.11 -0.33 -1.49 0.00 0.00 0.00 179.25 177.80 2wpg h TRP 188 N 0.57 1.05 -0.50 0.00 6.55 -1.92 -1.05 115.95 120.65 2wpg h TRP 188 Ca 0.36 -0.29 -0.12 0.00 0.95 0.00 0.00 58.89 59.79 2wpg h TRP 188 Cb 0.62 -0.23 -0.02 0.00 -0.86 0.00 0.00 29.16 28.68 2wpg h TRP 188 CO -0.00 1.10 -0.15 0.00 -1.05 0.00 0.00 178.44 178.34 2wpg h ALA 189 N 0.87 0.78 -0.60 1.49 0.00 -1.61 -1.21 119.26 118.99 2wpg h ALA 189 Ca 0.07 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2wpg h ALA 189 Cb 0.90 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2wpg h ALA 189 CO 0.08 0.66 0.11 1.96 0.00 0.00 0.00 179.25 182.06 2wpg h GLN 190 N 0.86 0.95 -0.58 0.00 4.20 -0.91 -0.15 115.11 119.48 2wpg h GLN 190 Ca 0.13 -0.23 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 2wpg h GLN 190 Cb 0.71 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 2wpg h GLN 190 CO 0.05 0.87 0.00 0.00 -0.67 0.00 0.00 178.83 179.09 2wpg h ALA 191 N 1.21 0.78 -0.43 3.87 0.00 -0.99 -0.74 119.26 122.95 2wpg h ALA 191 Ca 0.19 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2wpg h ALA 191 Cb 0.38 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2wpg h ALA 191 CO 0.01 0.61 0.25 0.00 0.00 0.00 0.00 179.25 180.12 2wpg h ALA 192 N 0.97 0.54 0.00 0.00 0.00 -1.01 -1.07 119.26 118.70 2wpg h ALA 192 Ca 0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2wpg h ALA 192 Cb 0.55 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2wpg h ALA 192 CO 0.03 -0.07 -0.14 0.00 0.00 0.00 0.00 179.25 179.07 2wpg h ARG 193 N 0.51 0.00 -0.11 0.00 3.08 -0.66 -1.28 114.38 115.91 2wpg h ARG 193 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2wpg h ARG 193 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2wpg h ARG 193 CO -0.08 0.14 0.00 0.00 -1.07 0.00 0.00 179.97 178.96 2wpg n ALA 194 N -2.27 2.55 -0.09 0.04 0.00 -0.32 -4.70 120.51 115.72 2wpg n ALA 194 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2wpg n ALA 194 Cb 0.27 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2wpg n ALA 194 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wpg n GLY 195 N 1.08 0.93 3.51 0.00 0.00 -0.48 -5.04 105.19 105.20 2wpg n GLY 195 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2wpg n GLY 195 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wpg s ASP 196 N -2.06 6.26 0.55 1.61 -1.08 -0.44 -4.87 116.67 116.64 2wpg s ASP 196 Ca 0.00 -0.51 0.28 0.00 -0.52 0.00 0.00 52.55 51.79 2wpg s ASP 196 Cb 0.00 -2.47 1.60 0.00 -1.46 0.00 0.00 42.92 40.59 2wpg s ASP 196 CO 0.00 -1.47 2.16 0.71 0.52 0.00 0.00 175.17 177.09 2wpg h THR 197 N 6.03 0.59 -0.54 1.71 1.35 -1.89 -0.91 112.91 119.24 2wpg h THR 197 Ca -0.27 -0.27 0.02 0.00 -0.55 0.00 0.00 66.41 65.34 2wpg h THR 197 Cb 1.06 1.17 -0.04 0.00 -1.73 0.00 0.00 68.15 68.62 2wpg h THR 197 CO 1.17 0.06 0.33 -0.09 -0.25 0.00 0.00 175.52 176.74 2wpg h ARG 198 N 0.00 0.63 0.00 4.72 2.43 -1.95 -1.00 114.38 119.21 2wpg h ARG 198 Ca -0.00 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 58.92 2wpg h ARG 198 Cb 0.17 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 2wpg h ARG 198 CO 0.01 0.42 -1.15 1.88 -1.51 0.00 0.00 179.97 179.62 2wpg h TYR 199 N 0.65 0.00 -1.01 2.20 0.05 -1.56 -3.11 116.97 114.20 2wpg h TYR 199 Ca 0.22 0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.11 2wpg h TYR 199 Cb 0.02 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 37.68 2wpg h TYR 199 CO -0.06 0.87 0.64 1.25 -1.05 0.00 0.00 178.16 179.80 2wpg h LEU 200 N 0.00 0.96 0.00 3.88 5.85 -1.03 0.11 115.31 125.08 2wpg h LEU 200 Ca -0.10 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2wpg h LEU 200 Cb 1.75 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.62 2wpg h LEU 200 CO 0.10 0.53 0.00 0.47 -0.34 0.00 0.00 178.44 179.20 2wpg n ASP 201 N -4.59 0.00 0.00 1.25 8.00 -0.40 -1.41 116.55 119.40 2wpg n ASP 201 Ca 0.18 -0.52 0.13 0.00 0.71 0.00 0.00 54.79 55.29 2wpg n ASP 201 Cb 0.32 -0.04 0.58 0.00 -0.02 0.00 0.00 41.12 41.96 2wpg n ASP 201 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2wpg n TYR 202 N -1.04 0.00 -4.52 1.24 4.02 0.37 -4.73 117.16 112.50 2wpg n TYR 202 Ca 0.14 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.78 2wpg n TYR 202 Cb 0.08 -0.43 -0.09 0.00 -0.02 0.00 0.00 39.34 38.88 2wpg n TYR 202 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2wpg s TYR 203 N -2.86 1.84 -0.40 -0.72 2.02 -0.50 -0.17 117.35 116.56 2wpg s TYR 203 Ca 0.16 -1.17 -0.17 0.00 -0.37 0.00 0.00 57.07 55.53 2wpg s TYR 203 Cb 0.17 -1.23 0.01 0.00 -0.40 0.00 0.00 41.96 40.51 2wpg s TYR 203 CO 0.45 -0.17 0.41 -1.01 -1.57 0.00 0.00 175.55 173.66 2wpg s HIS 204 N -3.21 3.18 0.01 2.71 3.76 -1.22 -4.58 115.29 115.95 2wpg s HIS 204 Ca 0.26 -0.29 0.04 0.00 -0.15 0.00 0.00 55.06 54.92 2wpg s HIS 204 Cb 0.04 -2.82 -0.01 0.00 1.11 0.00 0.00 32.58 30.90 2wpg s HIS 204 CO 0.14 -0.62 -0.13 -3.38 -0.85 0.00 0.00 174.74 169.90 2wpg s HIS 205 N 2.08 1.15 -0.03 1.40 -3.43 -1.26 -1.44 115.29 113.76 2wpg s HIS 205 Ca 0.12 -0.27 0.01 0.00 -0.80 0.00 0.00 55.06 54.12 2wpg s HIS 205 Cb -0.17 -0.71 0.02 0.00 -1.43 0.00 0.00 32.58 30.28 2wpg s HIS 205 CO 0.13 0.00 -0.04 -0.06 -2.00 0.00 0.00 174.74 172.77 2wpg s PHE 206 N -0.52 0.57 0.42 0.38 0.08 0.26 -4.96 117.98 114.21 2wpg s PHE 206 Ca 0.03 -0.12 0.17 0.00 0.12 0.00 0.00 56.93 57.14 2wpg s PHE 206 Cb -0.06 -0.50 1.04 0.00 -0.57 0.00 0.00 43.02 42.94 2wpg s PHE 206 CO 0.00 -0.12 1.97 0.00 -0.10 0.00 0.00 175.22 176.97 2wpg h ALA 207 N 6.84 1.51 -3.55 5.36 0.00 -1.89 -0.11 119.26 127.42 2wpg h ALA 207 Ca -0.37 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.16 2wpg h ALA 207 Cb 1.16 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 2wpg h ALA 207 CO 0.48 0.27 -0.12 -0.40 0.00 0.00 0.00 179.25 179.48 2wpg n ASP 208 N -4.09 -0.71 -0.05 0.00 5.68 -1.26 -4.76 116.55 111.36 2wpg n ASP 208 Ca -0.02 -2.13 0.16 0.00 -0.50 0.00 0.00 54.79 52.30 2wpg n ASP 208 Cb 0.28 1.37 0.89 0.00 -1.14 0.00 0.00 41.12 42.53 2wpg n ASP 208 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2wpg n ARG 209 N -0.34 1.03 0.24 0.11 5.12 -1.26 -4.39 116.66 117.17 2wpg n ARG 209 Ca 0.01 -0.10 -0.16 0.00 -1.93 0.00 0.00 57.85 55.68 2wpg n ARG 209 Cb 0.34 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 30.07 2wpg n ARG 209 CO 0.00 0.00 0.00 -0.97 -1.93 0.00 0.00 177.63 174.73 2wpg h ASN 210 N 0.24 -0.86 -0.07 0.55 -1.24 -1.97 0.36 115.58 112.59 2wpg h ASN 210 Ca 0.00 0.07 -0.13 0.00 0.71 0.00 0.00 56.30 56.95 2wpg h ASN 210 Cb 0.07 0.28 0.01 0.00 0.73 0.00 0.00 38.32 39.41 2wpg h ASN 210 CO 0.00 -0.48 -0.47 0.00 -1.29 0.00 0.00 177.43 175.20 2wpg h ALA 211 N -0.24 0.15 -0.72 1.57 0.00 -2.01 -3.06 119.26 114.96 2wpg h ALA 211 Ca -0.03 -0.50 0.12 0.00 0.00 0.00 0.00 54.91 54.50 2wpg h ALA 211 Cb 0.63 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 2wpg h ALA 211 CO -0.02 0.32 0.31 -1.35 0.00 0.00 0.00 179.25 178.51 2wpg h PRO 212 N -0.01 0.49 -0.62 0.00 0.11 -1.78 0.47 132.00 130.65 2wpg h PRO 212 Ca -0.04 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.12 2wpg h PRO 212 Cb 1.13 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.06 2wpg h PRO 212 CO 0.10 0.32 0.29 -0.44 -0.21 0.00 0.00 178.00 178.06 2wpg h ASP 213 N 0.50 0.38 -0.36 -2.05 3.32 -0.29 0.30 116.42 118.22 2wpg h ASP 213 Ca 0.38 0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.33 2wpg h ASP 213 Cb 0.50 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2wpg h ASP 213 CO -0.34 0.23 -0.37 1.56 -1.72 0.00 0.00 179.24 178.61 2wpg h GLN 214 N 0.53 0.91 -0.94 3.56 1.08 -1.26 -2.71 115.11 116.30 2wpg h GLN 214 Ca 0.30 -0.47 0.01 0.00 -1.45 0.00 0.00 58.65 57.04 2wpg h GLN 214 Cb 0.29 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.68 2wpg h GLN 214 CO -0.24 1.12 0.62 1.88 -0.95 0.00 0.00 178.83 181.26 2wpg h TYR 215 N 0.75 1.18 0.00 2.96 0.05 -0.50 -2.42 116.97 118.98 2wpg h TYR 215 Ca 0.06 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.87 2wpg h TYR 215 Cb 0.96 -0.40 0.00 0.00 1.01 0.00 0.00 36.73 38.30 2wpg h TYR 215 CO 0.06 0.74 0.01 -0.44 -1.05 0.00 0.00 178.16 177.48 2wpg h ASP 216 N 1.27 0.00 1.73 3.88 3.32 -0.61 -1.05 116.42 124.97 2wpg h ASP 216 Ca 0.34 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 2wpg h ASP 216 Cb -0.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 2wpg h ASP 216 CO -0.08 0.00 -0.06 0.71 -1.72 0.00 0.00 179.24 178.10 2wpg h THR 217 N 0.00 0.11 -0.00 0.35 1.35 -1.42 -3.33 112.91 109.97 2wpg h THR 217 Ca 0.00 -1.04 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 2wpg h THR 217 Cb 0.03 1.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2wpg h THR 217 CO 0.00 0.06 -0.04 0.35 -0.25 0.00 0.00 175.52 175.64 2wpg n THR 218 N -3.12 0.00 -3.09 6.82 -2.24 -0.50 -5.04 114.28 107.11 2wpg n THR 218 Ca 0.03 -0.48 -0.36 0.00 -2.27 0.00 0.00 64.05 60.97 2wpg n THR 218 Cb 0.51 1.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.68 2wpg n THR 218 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2wpg s LEU 219 N -1.72 4.29 -0.23 3.22 1.43 -0.58 -3.85 118.68 121.25 2wpg s LEU 219 Ca 0.00 1.42 -0.14 0.00 -1.03 0.00 0.00 54.13 54.39 2wpg s LEU 219 Cb 0.01 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 2wpg s LEU 219 CO 0.03 -0.01 0.31 -0.69 0.23 0.00 0.00 176.35 176.22 2wpg s VAL 220 N -1.61 5.25 0.12 -1.59 1.01 -1.26 -4.95 120.40 117.38 2wpg s VAL 220 Ca 0.45 0.49 -0.31 0.00 0.00 0.00 0.00 61.98 62.62 2wpg s VAL 220 Cb -0.16 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.51 2wpg s VAL 220 CO 0.20 0.27 1.26 -1.10 0.00 0.00 0.00 175.10 175.73 2wpg s GLN 221 N 1.35 4.41 0.00 2.72 -0.21 -1.26 -4.93 119.66 121.74 2wpg s GLN 221 Ca 0.14 1.91 -0.16 0.00 0.02 0.00 0.00 55.36 57.27 2wpg s GLN 221 Cb -0.14 -3.28 -0.34 0.00 1.00 0.00 0.00 33.01 30.24 2wpg s GLN 221 CO 0.07 -0.26 0.92 0.28 -2.12 0.00 0.00 175.29 174.18 2wpg h VAL 222 N 4.17 1.24 -2.23 1.09 2.07 -1.89 -3.39 116.25 117.31 2wpg h VAL 222 Ca -0.43 -2.64 -0.59 0.00 0.82 0.00 0.00 66.70 63.86 2wpg h VAL 222 Cb 1.21 3.01 -0.42 0.00 -1.52 0.00 0.00 31.29 33.57 2wpg h VAL 222 CO 0.80 0.81 -0.65 0.49 0.02 0.00 0.00 177.57 179.04 2wpg n PHE 223 N -3.75 3.62 -0.85 1.57 3.72 -1.26 -5.12 117.46 115.38 2wpg n PHE 223 Ca -0.18 -4.05 -0.20 0.00 -0.05 0.00 0.00 57.45 52.96 2wpg n PHE 223 Cb 1.07 -0.51 -0.06 0.00 -0.94 0.00 0.00 39.48 39.03 2wpg n PHE 223 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2wpg n PRO 224 N 0.31 0.01 -3.63 -1.08 -0.02 -1.26 -4.50 135.00 124.83 2wpg n PRO 224 Ca 0.30 -0.61 -0.03 0.00 -2.02 0.00 0.00 63.50 61.14 2wpg n PRO 224 Cb 0.41 -1.95 -0.05 0.00 -0.02 0.00 0.00 33.50 31.89 2wpg n PRO 224 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2wpg s PRO 228 N 5.48 0.60 0.00 0.52 0.04 -1.26 -5.17 135.00 135.21 2wpg s PRO 228 Ca 0.38 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2wpg s PRO 228 Cb 0.06 0.50 0.00 0.00 0.04 0.00 0.00 34.50 35.10 2wpg s PRO 228 CO 0.17 -0.17 0.00 0.41 0.04 0.00 0.00 177.00 177.45 2wpg n GLY 229 N 4.85 2.66 0.04 0.56 0.00 -1.26 -4.92 105.19 107.13 2wpg n GLY 229 Ca -0.15 -2.07 0.01 0.00 0.00 0.00 0.00 46.02 43.81 2wpg n GLY 229 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wpg n ASN 230 N 0.00 0.68 -3.94 1.61 4.13 -1.26 -4.79 115.26 111.69 2wpg n ASN 230 Ca 0.00 -0.84 -0.15 0.00 1.68 0.00 0.00 54.58 55.27 2wpg n ASN 230 Cb 0.00 0.45 -0.14 0.00 -1.54 0.00 0.00 39.78 38.55 2wpg n ASN 230 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2wpg s PHE 231 N -0.62 0.37 -0.08 3.10 0.08 -1.26 0.11 117.98 119.69 2wpg s PHE 231 Ca 0.02 -0.07 0.03 0.00 0.12 0.00 0.00 56.93 57.02 2wpg s PHE 231 Cb 0.02 -0.24 0.01 0.00 -0.57 0.00 0.00 43.02 42.23 2wpg s PHE 231 CO 0.05 -0.01 -0.16 0.99 -0.10 0.00 0.00 175.22 175.99 2wpg s THR 232 N -0.10 1.46 -0.09 0.64 2.01 0.20 -4.87 115.64 114.90 2wpg s THR 232 Ca 0.02 -0.66 -0.30 0.00 0.31 0.00 0.00 61.69 61.06 2wpg s THR 232 Cb -0.02 -1.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.17 2wpg s THR 232 CO -0.00 0.43 1.12 0.86 -0.69 0.00 0.00 174.62 176.33 2wpg s TRP 233 N 0.61 3.31 -0.31 4.92 -0.11 -1.26 -0.34 118.94 125.76 2wpg s TRP 233 Ca -0.15 1.37 -0.07 0.00 1.22 0.00 0.00 56.10 58.47 2wpg s TRP 233 Cb -0.16 -3.33 0.02 0.00 -1.50 0.00 0.00 33.47 28.50 2wpg s TRP 233 CO 0.05 -0.86 0.09 0.08 -4.62 0.00 0.00 176.95 171.69 2wpg s VAL 234 N 2.24 3.98 0.26 5.86 1.01 -0.38 -4.98 120.40 128.40 2wpg s VAL 234 Ca 0.52 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 2wpg s VAL 234 Cb -0.21 -3.10 0.25 0.00 0.00 0.00 0.00 36.38 33.31 2wpg s VAL 234 CO 0.19 0.01 1.92 0.44 0.00 0.00 0.00 175.10 177.67 2wpg h ASP 235 N 8.24 1.08 -0.56 3.32 3.32 -1.95 0.37 116.42 130.25 2wpg h ASP 235 Ca -0.29 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 56.73 2wpg h ASP 235 Cb 1.12 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 2wpg h ASP 235 CO 0.61 0.81 0.34 -0.08 -1.72 0.00 0.00 179.24 179.20 2wpg h GLU 236 N 1.26 0.66 0.00 3.56 4.81 -1.94 -2.75 114.58 120.18 2wpg h GLU 236 Ca 0.33 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2wpg h GLU 236 Cb -0.10 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.13 2wpg h GLU 236 CO -0.07 0.44 -0.93 0.25 -0.73 0.00 0.00 179.01 177.97 2wpg n THR 237 N -4.76 0.19 -3.84 0.32 -2.24 -1.04 -4.98 114.28 97.93 2wpg n THR 237 Ca 0.04 -0.23 -0.25 0.00 -2.27 0.00 0.00 64.05 61.35 2wpg n THR 237 Cb 0.07 0.16 0.01 0.00 -2.10 0.00 0.00 70.33 68.47 2wpg n THR 237 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2wpg n ARG 238 N -1.96 -4.31 -4.08 -0.78 1.74 0.13 -5.00 116.66 102.40 2wpg n ARG 238 Ca 0.02 0.53 -0.12 0.00 -0.77 0.00 0.00 57.85 57.51 2wpg n ARG 238 Cb 0.43 -4.97 -0.11 0.00 -1.02 0.00 0.00 32.46 26.79 2wpg n ARG 238 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2wpg s GLN 239 N -6.31 0.59 -0.18 5.56 -1.52 -1.19 -4.86 119.66 111.74 2wpg s GLN 239 Ca 0.12 -0.91 -0.25 0.00 -1.95 0.00 0.00 55.36 52.37 2wpg s GLN 239 Cb -0.06 -0.20 -0.01 0.00 -0.22 0.00 0.00 33.01 32.52 2wpg s GLN 239 CO 0.85 0.01 0.82 -1.58 -0.25 0.00 0.00 175.29 175.14 2wpg s TRP 240 N -2.10 3.40 -0.04 0.91 0.52 -0.05 -1.25 118.94 120.32 2wpg s TRP 240 Ca -0.04 1.21 -0.02 0.00 0.02 0.00 0.00 56.10 57.27 2wpg s TRP 240 Cb -0.05 -3.00 -0.04 0.00 -1.15 0.00 0.00 33.47 29.23 2wpg s TRP 240 CO -0.02 -0.26 0.07 -1.64 0.02 0.00 0.00 176.95 175.12 2wpg s MET 241 N 2.25 3.11 -0.14 4.98 -1.94 0.54 -0.58 119.30 127.51 2wpg s MET 241 Ca 0.37 -0.41 -0.29 0.00 -1.71 0.00 0.00 55.69 53.65 2wpg s MET 241 Cb -0.16 -2.90 -0.03 0.00 2.01 0.00 0.00 34.83 33.75 2wpg s MET 241 CO 0.11 0.68 1.42 -0.46 -0.01 0.00 0.00 175.02 176.76 2wpg s TRP 242 N -1.09 2.50 -0.48 -0.03 -0.11 -0.52 -0.62 118.94 118.59 2wpg s TRP 242 Ca 0.19 0.71 0.03 0.00 1.22 0.00 0.00 56.10 58.25 2wpg s TRP 242 Cb -0.12 -3.70 0.15 0.00 -1.50 0.00 0.00 33.47 28.31 2wpg s TRP 242 CO 0.10 -2.47 0.32 0.95 -4.62 0.00 0.00 176.95 171.22 2wpg s THR 243 N 3.87 1.23 0.18 5.86 -4.23 0.12 -1.08 115.64 121.58 2wpg s THR 243 Ca 0.62 -2.84 -0.13 0.00 -1.18 0.00 0.00 61.69 58.16 2wpg s THR 243 Cb -0.25 -1.84 0.09 0.00 1.34 0.00 0.00 72.50 71.83 2wpg s THR 243 CO 0.21 -1.04 1.77 0.74 -0.54 0.00 0.00 174.62 175.76 2wpg h THR 244 N 4.85 0.90 0.00 3.99 2.02 -1.76 -3.38 112.91 119.53 2wpg h THR 244 Ca 0.12 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2wpg h THR 244 Cb 0.89 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2wpg h THR 244 CO 0.47 0.08 0.00 0.49 0.37 0.00 0.00 175.52 176.93 2wpg n PHE 245 N -4.93 0.00 -1.89 3.16 3.72 -1.26 -4.54 117.46 111.72 2wpg n PHE 245 Ca 0.05 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.13 2wpg n PHE 245 Cb 0.17 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.73 2wpg n PHE 245 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2wpg s TYR 246 N 2.71 3.03 0.17 1.38 2.02 -1.26 -4.92 117.35 120.48 2wpg s TYR 246 Ca 0.00 1.48 0.34 0.00 -0.37 0.00 0.00 57.07 58.52 2wpg s TYR 246 Cb 0.00 -2.96 1.68 0.00 -0.40 0.00 0.00 41.96 40.28 2wpg s TYR 246 CO 0.00 -1.14 2.03 -1.00 -1.57 0.00 0.00 175.55 173.86 2wpg h PRO 247 N 0.05 0.00 -0.61 -1.71 0.13 -1.96 -0.72 132.00 127.18 2wpg h PRO 247 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2wpg h PRO 247 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wpg h PRO 247 CO 0.57 0.00 0.00 2.48 -0.23 0.00 0.00 178.00 180.82 2wpg n TYR 248 N -2.78 0.94 -3.84 1.56 0.18 -1.26 -4.69 117.16 107.26 2wpg n TYR 248 Ca -0.01 -0.43 -0.36 0.00 1.88 0.00 0.00 57.90 58.98 2wpg n TYR 248 Cb 0.15 -0.07 -0.13 0.00 -0.38 0.00 0.00 39.34 38.91 2wpg n TYR 248 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 2wpg s GLN 249 N -1.38 2.29 -0.19 -3.48 -0.21 -0.28 -0.87 119.66 115.54 2wpg s GLN 249 Ca 0.41 -1.45 -0.19 0.00 0.02 0.00 0.00 55.36 54.15 2wpg s GLN 249 Cb 0.23 -3.36 -0.03 0.00 1.00 0.00 0.00 33.01 30.84 2wpg s GLN 249 CO 0.25 -0.79 0.53 -1.58 -2.12 0.00 0.00 175.29 171.59 2wpg s TRP 250 N 1.23 3.38 0.13 0.91 0.52 -0.61 -4.36 118.94 120.15 2wpg s TRP 250 Ca 0.00 0.81 -0.31 0.00 0.02 0.00 0.00 56.10 56.62 2wpg s TRP 250 Cb -0.21 -2.68 -0.09 0.00 -1.15 0.00 0.00 33.47 29.34 2wpg s TRP 250 CO -0.02 -0.10 1.58 -0.51 0.02 0.00 0.00 176.95 177.93 2wpg s ASP 251 N 1.13 6.61 0.58 2.95 -0.00 -0.24 -1.84 116.67 125.85 2wpg s ASP 251 Ca 0.25 2.55 -0.18 0.00 -0.00 0.00 0.00 52.55 55.16 2wpg s ASP 251 Cb -0.15 -2.58 -0.04 0.00 -0.00 0.00 0.00 42.92 40.14 2wpg s ASP 251 CO 0.10 -0.83 1.15 -0.76 -0.00 0.00 0.00 175.17 174.82 2wpg s LEU 252 N 1.63 3.66 -0.91 1.23 1.43 0.81 -3.41 118.68 123.12 2wpg s LEU 252 Ca 0.71 2.20 -0.17 0.00 -1.03 0.00 0.00 54.13 55.84 2wpg s LEU 252 Cb -0.42 -4.58 0.17 0.00 0.03 0.00 0.00 46.19 41.39 2wpg s LEU 252 CO 0.31 -1.40 1.01 0.21 0.23 0.00 0.00 176.35 176.71 2wpg s ASN 253 N -1.87 6.71 0.00 2.29 3.84 0.76 -4.75 114.94 121.92 2wpg s ASN 253 Ca 0.73 -2.35 0.24 0.00 0.21 0.00 0.00 52.86 51.69 2wpg s ASN 253 Cb -0.25 -2.33 1.41 0.00 -0.55 0.00 0.00 41.25 39.53 2wpg s ASN 253 CO 0.31 -0.85 1.82 0.79 -2.79 0.00 0.00 177.10 176.38 2wpg n TRP 254 N 5.49 0.00 1.20 0.43 7.02 -1.26 -1.92 117.44 128.40 2wpg n TRP 254 Ca 0.21 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.83 2wpg n TRP 254 Cb 0.48 -0.07 0.68 0.00 -2.42 0.00 0.00 31.31 29.98 2wpg n TRP 254 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 2wpg n SER 255 N -1.07 0.02 -4.56 -0.99 3.41 -1.26 -4.73 113.62 104.44 2wpg n SER 255 Ca 0.17 0.18 -0.40 0.00 -0.26 0.00 0.00 58.87 58.56 2wpg n SER 255 Cb 0.11 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 63.58 2wpg n SER 255 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2wpg s ASN 256 N -2.80 6.13 0.57 4.04 3.84 -0.81 -4.91 114.94 121.01 2wpg s ASN 256 Ca 0.21 -0.15 0.28 0.00 0.21 0.00 0.00 52.86 53.41 2wpg s ASN 256 Cb 0.20 -2.17 1.72 0.00 -0.55 0.00 0.00 41.25 40.44 2wpg s ASN 256 CO 0.50 -0.24 2.23 1.55 -2.79 0.00 0.00 177.10 178.35 2wpg h PRO 257 N 8.40 0.00 -0.53 0.43 0.13 -1.87 -0.58 132.00 137.98 2wpg h PRO 257 Ca -0.31 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.79 2wpg h PRO 257 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 2wpg h PRO 257 CO 0.65 0.01 0.21 0.00 -0.23 0.00 0.00 178.00 178.64 2wpg h ALA 258 N 1.99 1.37 -0.23 -0.56 0.00 -1.93 0.21 119.26 120.11 2wpg h ALA 258 Ca -0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 2wpg h ALA 258 Cb 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2wpg h ALA 258 CO 0.00 0.47 -0.02 0.28 0.00 0.00 0.00 179.25 179.99 2wpg h VAL 259 N 0.76 1.27 -0.35 0.00 2.07 -1.38 -0.41 116.25 118.20 2wpg h VAL 259 Ca 0.18 -0.95 0.05 0.00 0.82 0.00 0.00 66.70 66.81 2wpg h VAL 259 Cb 0.15 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.30 2wpg h VAL 259 CO -0.02 0.29 0.07 0.15 0.02 0.00 0.00 177.57 178.08 2wpg h PHE 260 N 0.18 0.11 -0.31 1.57 3.57 -1.20 -1.81 116.94 119.04 2wpg h PHE 260 Ca 0.06 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.60 2wpg h PHE 260 Cb 0.44 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2wpg h PHE 260 CO 0.04 0.02 0.17 0.78 -2.23 0.00 0.00 178.31 177.09 2wpg h GLY 261 N 0.19 0.43 1.00 2.40 0.00 -0.76 -1.24 103.07 105.08 2wpg h GLY 261 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2wpg h GLY 261 CO -0.22 0.11 0.43 0.83 0.00 0.00 0.00 176.54 177.69 2wpg h GLU 262 N 0.35 0.87 -0.06 4.80 4.39 -0.89 -1.74 114.58 122.31 2wpg h GLU 262 Ca 0.13 -0.06 -0.17 0.00 0.34 0.00 0.00 59.36 59.60 2wpg h GLU 262 Cb 0.02 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 2wpg h GLU 262 CO -0.07 0.59 -0.69 0.52 -1.16 0.00 0.00 179.01 178.20 2wpg h MET 263 N 0.89 0.27 -0.59 2.33 2.86 -1.06 -0.83 114.93 118.80 2wpg h MET 263 Ca 0.24 -0.21 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2wpg h MET 263 Cb -0.09 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 2wpg h MET 263 CO -0.05 0.85 0.20 0.00 1.06 0.00 0.00 176.91 178.97 2wpg h ALA 264 N 1.09 0.77 -0.64 6.32 0.00 -1.02 -0.91 119.26 124.87 2wpg h ALA 264 Ca -0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2wpg h ALA 264 Cb 1.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2wpg h ALA 264 CO 0.11 0.42 0.07 -0.07 0.00 0.00 0.00 179.25 179.78 2wpg h LEU 265 N 0.83 1.04 -1.06 0.00 3.38 -1.11 -1.97 115.31 116.42 2wpg h LEU 265 Ca 0.19 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 2wpg h LEU 265 Cb 0.26 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 2wpg h LEU 265 CO -0.01 1.06 0.20 0.00 0.09 0.00 0.00 178.44 179.78 2wpg h ALA 266 N 1.02 1.25 0.09 1.53 0.00 -0.84 0.03 119.26 122.35 2wpg h ALA 266 Ca 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wpg h ALA 266 Cb 0.48 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wpg h ALA 266 CO 0.02 0.54 -0.05 1.98 0.00 0.00 0.00 179.25 181.74 2wpg h MET 267 N 0.85 -0.12 -0.18 0.00 1.85 -0.87 -1.98 114.93 114.48 2wpg h MET 267 Ca 0.20 0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 59.26 2wpg h MET 267 Cb 0.22 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.26 2wpg h MET 267 CO -0.01 0.04 -0.05 -0.07 -0.40 0.00 0.00 176.91 176.42 2wpg h LEU 268 N -0.27 0.25 -0.67 3.39 3.38 -1.02 -0.93 115.31 119.45 2wpg h LEU 268 Ca -0.01 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.78 2wpg h LEU 268 Cb 0.22 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2wpg h LEU 268 CO 0.02 0.35 -0.51 -0.33 0.09 0.00 0.00 178.44 178.05 2wpg h GLU 269 N 0.27 0.39 -0.46 1.13 5.08 -0.84 -0.39 114.58 119.76 2wpg h GLU 269 Ca 0.06 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 2wpg h GLU 269 Cb 0.27 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2wpg h GLU 269 CO 0.01 0.81 0.03 -0.07 -1.00 0.00 0.00 179.01 178.80 2wpg h LEU 270 N 0.31 0.77 -1.26 1.33 3.38 -0.83 -2.95 115.31 116.07 2wpg h LEU 270 Ca 0.01 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.73 2wpg h LEU 270 Cb 1.01 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.51 2wpg h LEU 270 CO 0.09 0.87 0.52 0.00 0.09 0.00 0.00 178.44 180.00 2wpg h ALA 271 N 0.93 1.52 0.00 1.53 0.00 -0.75 -1.17 119.26 121.33 2wpg h ALA 271 Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wpg h ALA 271 Cb 0.45 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2wpg h ALA 271 CO 0.02 0.40 -0.01 -0.91 0.00 0.00 0.00 179.25 178.75 2wpg h ASN 272 N 0.97 0.00 -0.03 0.00 4.21 -0.92 -0.39 115.58 119.43 2wpg h ASN 272 Ca 0.31 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.82 2wpg h ASN 272 Cb 0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 2wpg h ASN 272 CO -0.09 0.01 0.00 0.18 -1.29 0.00 0.00 177.43 176.24 2wpg n LEU 273 N -3.10 1.30 0.00 1.61 4.77 -0.48 -4.66 117.00 116.43 2wpg n LEU 273 Ca 0.00 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 2wpg n LEU 273 Cb 0.28 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2wpg n LEU 273 CO 0.26 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2wpg n GLY 274 N 1.14 1.13 3.72 -0.72 0.00 -0.16 -4.27 105.19 106.03 2wpg n GLY 274 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2wpg n GLY 274 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wpg s VAL 275 N -2.00 3.40 -0.23 1.61 1.01 -0.95 -4.56 120.40 118.69 2wpg s VAL 275 Ca 0.00 1.06 0.09 0.00 0.00 0.00 0.00 61.98 63.13 2wpg s VAL 275 Cb 0.00 -3.68 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 2wpg s VAL 275 CO 0.00 0.11 0.29 -0.62 0.00 0.00 0.00 175.10 174.88 2wpg n GLU 276 N 3.47 2.37 -3.81 2.72 1.02 -0.03 -4.30 120.64 122.07 2wpg n GLU 276 Ca 0.09 -0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 57.07 2wpg n GLU 276 Cb 0.43 -1.05 -0.12 0.00 -0.02 0.00 0.00 31.44 30.69 2wpg n GLU 276 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wpg s ALA 277 N -2.19 -0.47 -0.20 0.62 0.00 -0.73 -0.55 121.76 118.25 2wpg s ALA 277 Ca 0.00 0.46 -0.00 0.00 0.00 0.00 0.00 51.96 52.42 2wpg s ALA 277 Cb 0.06 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.94 2wpg s ALA 277 CO 0.36 -0.11 -0.15 -0.06 0.00 0.00 0.00 175.76 175.80 2wpg s PHE 278 N -0.11 2.85 -0.68 0.00 0.40 -0.02 -1.08 117.98 119.34 2wpg s PHE 278 Ca -0.02 -1.51 -0.25 0.00 -0.60 0.00 0.00 56.93 54.55 2wpg s PHE 278 Cb -0.02 -1.97 0.05 0.00 0.51 0.00 0.00 43.02 41.59 2wpg s PHE 278 CO 0.01 -0.75 1.11 0.50 0.70 0.00 0.00 175.22 176.79 2wpg s ARG 279 N 1.33 3.18 -0.43 0.44 3.52 -0.51 -0.58 118.95 125.89 2wpg s ARG 279 Ca 0.04 -0.48 -0.26 0.00 -0.13 0.00 0.00 55.73 54.91 2wpg s ARG 279 Cb -0.14 -4.18 0.02 0.00 -1.56 0.00 0.00 34.95 29.09 2wpg s ARG 279 CO -0.10 -1.94 0.94 -0.51 -0.81 0.00 0.00 175.30 172.88 2wpg s LEU 280 N 4.85 3.98 -0.08 -0.88 1.43 0.66 -0.98 118.68 127.66 2wpg s LEU 280 Ca 0.29 0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.61 2wpg s LEU 280 Cb -0.12 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 2wpg s LEU 280 CO 0.14 -1.00 0.18 -1.81 0.23 0.00 0.00 176.35 174.08 2wpg s ASP 281 N 2.16 6.42 -1.23 2.29 1.01 -0.90 -1.99 116.67 124.43 2wpg s ASP 281 Ca 0.38 0.48 -0.04 0.00 0.71 0.00 0.00 52.55 54.08 2wpg s ASP 281 Cb -0.10 -2.07 0.00 0.00 1.01 0.00 0.00 42.92 41.76 2wpg s ASP 281 CO 0.24 0.36 0.56 -1.20 0.21 0.00 0.00 175.17 175.34 2wpg n SER 282 N 1.67 -5.30 0.23 0.27 7.64 -1.26 -3.45 113.62 113.42 2wpg n SER 282 Ca -0.17 -0.26 0.10 0.00 1.01 0.00 0.00 58.87 59.55 2wpg n SER 282 Cb 0.54 -4.11 0.53 0.00 -1.01 0.00 0.00 64.21 60.17 2wpg n SER 282 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2wpg h THR 283 N -1.27 0.61 0.00 0.44 1.35 -1.98 -2.75 112.91 109.31 2wpg h THR 283 Ca -0.43 -0.98 -0.00 0.00 -0.55 0.00 0.00 66.41 64.44 2wpg h THR 283 Cb 1.30 1.64 -0.00 0.00 -1.73 0.00 0.00 68.15 69.36 2wpg h THR 283 CO 0.46 0.21 -0.02 0.00 -0.25 0.00 0.00 175.52 175.92 2wpg h ALA 284 N 1.79 1.56 -0.03 6.62 0.00 -1.96 -2.81 119.26 124.42 2wpg h ALA 284 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wpg h ALA 284 Cb 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2wpg h ALA 284 CO 0.03 0.02 0.00 0.66 0.00 0.00 0.00 179.25 179.96 2wpg n TYR 285 N -3.91 0.01 0.10 0.00 4.01 -1.04 -0.69 117.16 115.64 2wpg n TYR 285 Ca -0.03 -0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.78 2wpg n TYR 285 Cb 0.10 0.00 0.53 0.00 -0.31 0.00 0.00 39.34 39.67 2wpg n TYR 285 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2wpg h LEU 286 N 3.45 0.24 -8.31 7.72 3.38 -1.64 -3.41 115.31 116.75 2wpg h LEU 286 Ca 0.00 -0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 2wpg h LEU 286 Cb 0.73 -0.06 -0.31 0.00 0.09 0.00 0.00 40.66 41.11 2wpg h LEU 286 CO 0.00 0.17 -0.82 0.86 0.09 0.00 0.00 178.44 178.74 2wpg s TRP 287 N -5.29 2.77 -0.09 1.13 -0.11 -1.26 -4.39 118.94 111.70 2wpg s TRP 287 Ca -0.07 -1.16 -0.11 0.00 1.22 0.00 0.00 56.10 55.99 2wpg s TRP 287 Cb 0.18 -1.89 -0.05 0.00 -1.50 0.00 0.00 33.47 30.21 2wpg s TRP 287 CO 0.71 -0.54 0.26 0.15 -4.62 0.00 0.00 176.95 172.91 2wpg s LYS 288 N 0.91 3.78 -0.04 5.86 -0.14 -1.26 -4.39 119.74 124.45 2wpg s LYS 288 Ca -0.04 0.10 -0.02 0.00 -1.36 0.00 0.00 55.97 54.65 2wpg s LYS 288 Cb -0.15 -3.25 0.03 0.00 -1.68 0.00 0.00 37.83 32.78 2wpg s LYS 288 CO -0.02 0.63 0.05 0.50 -0.76 0.00 0.00 175.35 175.76 2wpg s ARG 289 N -0.73 -0.00 0.24 1.68 3.52 -1.26 -5.05 118.95 117.35 2wpg s ARG 289 Ca 0.18 0.34 -0.31 0.00 -0.13 0.00 0.00 55.73 55.82 2wpg s ARG 289 Cb -0.14 -0.56 -0.14 0.00 -1.56 0.00 0.00 34.95 32.56 2wpg s ARG 289 CO 0.07 -0.32 1.33 -2.30 -0.81 0.00 0.00 175.30 173.27 2wpg n PRO 290 N 5.26 1.86 -0.60 5.12 -0.02 -1.26 -1.96 135.00 143.40 2wpg n PRO 290 Ca -0.04 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2wpg n PRO 290 Cb 0.50 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2wpg n PRO 290 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wpg n GLY 291 N 1.92 0.77 3.69 -1.23 0.00 -1.26 -5.04 105.19 104.04 2wpg n GLY 291 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2wpg n GLY 291 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wpg s THR 292 N -2.87 1.29 -2.00 2.61 -4.23 -0.83 -5.01 115.64 104.61 2wpg s THR 292 Ca 0.00 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 2wpg s THR 292 Cb 0.00 -2.39 0.25 0.00 1.34 0.00 0.00 72.50 71.70 2wpg s THR 292 CO 0.00 0.00 1.25 -0.46 -0.54 0.00 0.00 174.62 174.87 2wpg n ASN 293 N -1.18 0.00 -3.98 3.99 0.23 -1.25 -4.50 115.26 108.58 2wpg n ASN 293 Ca -0.14 -1.50 -0.32 0.00 -0.53 0.00 0.00 54.58 52.09 2wpg n ASN 293 Cb 0.67 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.37 2wpg n ASN 293 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wpg s MET 295 N -6.68 0.53 -1.46 0.00 -1.94 -1.26 -4.49 119.30 103.99 2wpg s MET 295 Ca 0.67 -0.34 -0.09 0.00 -1.71 0.00 0.00 55.69 54.23 2wpg s MET 295 Cb -0.35 -0.47 0.04 0.00 2.01 0.00 0.00 34.83 36.05 2wpg s MET 295 CO 0.83 0.12 0.79 0.09 -0.01 0.00 0.00 175.02 176.84 2wpg n ASN 296 N 2.62 -5.43 -4.79 3.03 3.02 0.13 -4.96 115.26 108.88 2wpg n ASN 296 Ca -0.15 -0.47 -0.35 0.00 -0.03 0.00 0.00 54.58 53.59 2wpg n ASN 296 Cb 0.57 -4.36 -0.04 0.00 -0.61 0.00 0.00 39.78 35.35 2wpg n ASN 296 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2wpg s GLN 297 N -6.10 3.90 0.42 3.52 -1.52 -1.26 -4.93 119.66 113.68 2wpg s GLN 297 Ca 0.46 1.40 0.17 0.00 -1.95 0.00 0.00 55.36 55.44 2wpg s GLN 297 Cb -0.22 -2.21 1.07 0.00 -0.22 0.00 0.00 33.01 31.43 2wpg s GLN 297 CO 0.57 -0.35 1.86 -1.35 -0.25 0.00 0.00 175.29 175.77 2wpg h PRO 298 N 1.80 0.40 0.00 2.91 0.11 -1.97 -0.31 132.00 134.94 2wpg h PRO 298 Ca -0.49 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2wpg h PRO 298 Cb 1.22 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2wpg h PRO 298 CO 0.60 0.27 -0.18 0.93 -0.21 0.00 0.00 178.00 179.41 2wpg h GLU 299 N 0.41 0.00 -0.75 1.05 3.07 -1.97 -2.16 114.58 114.23 2wpg h GLU 299 Ca 0.46 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.30 2wpg h GLU 299 Cb 1.12 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.99 2wpg h GLU 299 CO -0.17 0.18 0.39 0.00 -1.40 0.00 0.00 179.01 178.01 2wpg h ALA 300 N 1.82 1.29 -0.17 3.43 0.00 -1.39 -0.47 119.26 123.78 2wpg h ALA 300 Ca -0.00 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 2wpg h ALA 300 Cb 0.34 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2wpg h ALA 300 CO 0.02 0.57 -0.67 0.45 0.00 0.00 0.00 179.25 179.63 2wpg h HIS 301 N 1.04 0.86 -0.83 0.00 3.86 -1.50 -2.60 115.15 115.99 2wpg h HIS 301 Ca 0.26 -0.35 0.02 0.00 -1.16 0.00 0.00 60.37 59.14 2wpg h HIS 301 Cb 0.05 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.33 2wpg h HIS 301 CO 0.01 1.14 0.55 1.15 0.86 0.00 0.00 177.93 181.63 2wpg h THR 302 N 0.48 1.19 -0.54 2.45 2.02 -1.07 0.18 112.91 117.61 2wpg h THR 302 Ca -0.02 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 2wpg h THR 302 Cb 1.26 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2wpg h THR 302 CO 0.13 0.20 0.26 0.40 0.37 0.00 0.00 175.52 176.88 2wpg h ILE 303 N 1.09 1.20 -0.67 3.11 2.04 -0.97 -0.99 117.51 122.31 2wpg h ILE 303 Ca 0.31 -0.56 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 2wpg h ILE 303 Cb -0.07 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 2wpg h ILE 303 CO -0.08 0.22 0.11 -0.07 0.00 0.00 0.00 178.15 178.33 2wpg h LEU 304 N 0.73 1.06 -0.43 1.44 3.38 -0.95 -0.63 115.31 119.91 2wpg h LEU 304 Ca 0.19 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.95 2wpg h LEU 304 Cb 0.12 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2wpg h LEU 304 CO -0.02 1.05 0.17 0.58 0.09 0.00 0.00 178.44 180.31 2wpg h VAL 305 N 1.03 0.90 -0.24 1.22 2.07 -0.48 0.56 116.25 121.32 2wpg h VAL 305 Ca 0.20 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 2wpg h VAL 305 Cb 0.44 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2wpg h VAL 305 CO 0.01 0.07 0.14 0.00 0.02 0.00 0.00 177.57 177.81 2wpg h ALA 306 N 1.26 0.31 -0.96 1.67 0.00 -0.69 -1.01 119.26 119.85 2wpg h ALA 306 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wpg h ALA 306 Cb 0.16 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 2wpg h ALA 306 CO -0.18 -0.17 0.61 -0.07 0.00 0.00 0.00 179.25 179.45 2wpg h LEU 307 N 0.29 1.13 -0.51 0.00 3.38 -0.94 -1.41 115.31 117.25 2wpg h LEU 307 Ca 0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2wpg h LEU 307 Cb 0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2wpg h LEU 307 CO -0.01 0.84 0.30 -0.09 0.09 0.00 0.00 178.44 179.56 2wpg h ARG 308 N 1.31 0.70 -0.65 1.13 9.65 -0.57 -1.83 114.38 124.13 2wpg h ARG 308 Ca 0.35 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 59.14 2wpg h ARG 308 Cb -0.11 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.30 2wpg h ARG 308 CO -0.07 0.53 0.31 0.00 2.80 0.00 0.00 179.97 183.54 2wpg h ALA 309 N 1.14 1.34 -0.21 2.80 0.00 -0.76 0.35 119.26 123.92 2wpg h ALA 309 Ca 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wpg h ALA 309 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2wpg h ALA 309 CO -0.03 0.52 0.12 0.28 0.00 0.00 0.00 179.25 180.14 2wpg h VAL 310 N 0.91 1.09 -0.82 0.00 2.07 -0.99 -1.32 116.25 117.19 2wpg h VAL 310 Ca 0.23 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2wpg h VAL 310 Cb 0.09 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2wpg h VAL 310 CO -0.03 0.09 0.45 0.00 0.02 0.00 0.00 177.57 178.10 2wpg h ALA 311 N 1.02 1.05 -0.52 1.67 0.00 -0.79 -0.28 119.26 121.41 2wpg h ALA 311 Ca 0.07 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2wpg h ALA 311 Cb 0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2wpg h ALA 311 CO -0.01 0.56 0.35 -0.44 0.00 0.00 0.00 179.25 179.71 2wpg h ASP 312 N 1.14 0.50 0.08 0.00 3.32 0.09 0.65 116.42 122.21 2wpg h ASP 312 Ca 0.29 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.19 2wpg h ASP 312 Cb 0.03 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.47 2wpg h ASP 312 CO -0.05 0.34 -0.69 0.40 -1.72 0.00 0.00 179.24 177.53 2wpg h ILE 313 N 0.58 1.48 0.03 0.35 2.04 -0.68 -3.38 117.51 117.92 2wpg h ILE 313 Ca 0.21 -2.43 -0.34 0.00 1.00 0.00 0.00 64.86 63.31 2wpg h ILE 313 Cb 0.13 3.11 -0.05 0.00 -0.74 0.00 0.00 36.82 39.26 2wpg h ILE 313 CO -0.06 0.65 -2.05 0.52 0.00 0.00 0.00 178.15 177.21 2wpg n VAL 314 N -4.27 1.57 -3.00 1.67 0.31 -0.17 -4.73 118.33 109.71 2wpg n VAL 314 Ca -0.16 -0.75 -0.17 0.00 -0.01 0.00 0.00 64.34 63.25 2wpg n VAL 314 Cb 0.71 -1.09 -0.01 0.00 -0.91 0.00 0.00 33.84 32.54 2wpg n VAL 314 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wpg n ALA 315 N -2.79 0.81 0.25 3.52 0.00 0.17 -4.99 120.51 117.47 2wpg n ALA 315 Ca -0.28 -2.56 0.07 0.00 0.00 0.00 0.00 53.44 50.67 2wpg n ALA 315 Cb 1.07 -1.03 0.33 0.00 0.00 0.00 0.00 19.45 19.82 2wpg n ALA 315 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wpg n PRO 316 N 1.30 0.08 0.00 0.00 -0.04 -0.89 -1.54 135.00 133.90 2wpg n PRO 316 Ca 0.16 0.46 0.14 0.00 -0.04 0.00 0.00 63.50 64.22 2wpg n PRO 316 Cb 0.59 -1.70 0.61 0.00 -0.04 0.00 0.00 33.50 32.96 2wpg n PRO 316 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wpg n SER 317 N -1.86 0.43 -4.81 3.54 3.41 -1.26 -4.89 113.62 108.18 2wpg n SER 317 Ca 0.01 -0.52 -0.34 0.00 -0.26 0.00 0.00 58.87 57.76 2wpg n SER 317 Cb 0.10 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 63.89 2wpg n SER 317 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wpg s VAL 318 N -2.50 4.36 -0.12 -3.33 1.01 -0.59 -4.94 120.40 114.30 2wpg s VAL 318 Ca 0.28 1.54 -0.01 0.00 0.00 0.00 0.00 61.98 63.79 2wpg s VAL 318 Cb 0.20 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2wpg s VAL 318 CO 0.48 -0.21 -0.07 -0.69 0.00 0.00 0.00 175.10 174.60 2wpg s VAL 319 N -2.05 3.59 -0.25 2.92 1.01 0.29 -4.99 120.40 120.93 2wpg s VAL 319 Ca 0.59 -0.49 -0.10 0.00 0.00 0.00 0.00 61.98 61.99 2wpg s VAL 319 Cb -0.11 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 2wpg s VAL 319 CO 0.15 0.54 0.14 -0.04 0.00 0.00 0.00 175.10 175.89 2wpg s MET 320 N -0.04 3.91 -0.13 2.72 -1.94 -1.26 -0.84 119.30 121.72 2wpg s MET 320 Ca -0.00 -0.35 0.02 0.00 -1.71 0.00 0.00 55.69 53.65 2wpg s MET 320 Cb -0.14 -3.50 0.01 0.00 2.01 0.00 0.00 34.83 33.21 2wpg s MET 320 CO 0.03 -0.08 -0.21 0.21 -0.01 0.00 0.00 175.02 174.97 2wpg s LYS 321 N 1.42 2.83 -0.01 2.03 2.20 0.25 -0.05 119.74 128.42 2wpg s LYS 321 Ca 0.07 -0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 54.59 2wpg s LYS 321 Cb -0.15 -2.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.84 2wpg s LYS 321 CO 0.07 -0.01 1.08 0.00 -0.36 0.00 0.00 175.35 176.12 2wpg s ALA 322 N 0.81 3.31 0.15 3.13 0.00 -0.17 -0.24 121.76 128.74 2wpg s ALA 322 Ca -0.08 0.61 0.11 0.00 0.00 0.00 0.00 51.96 52.60 2wpg s ALA 322 Cb -0.16 -3.41 0.16 0.00 0.00 0.00 0.00 23.12 19.72 2wpg s ALA 322 CO -0.01 -0.42 1.49 1.49 0.00 0.00 0.00 175.76 178.31 2wpg h GLU 323 N 6.94 0.00 -4.18 0.00 4.81 -1.73 -3.35 114.58 117.07 2wpg h GLU 323 Ca -0.39 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.27 2wpg h GLU 323 Cb 1.20 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2wpg h GLU 323 CO 0.80 0.70 0.73 0.00 -0.73 0.00 0.00 179.01 180.51 2wpg n ALA 324 N -2.35 -0.33 -3.14 2.92 0.00 -1.26 -4.83 120.51 111.51 2wpg n ALA 324 Ca -0.00 0.23 -0.45 0.00 0.00 0.00 0.00 53.44 53.21 2wpg n ALA 324 Cb 0.73 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 2wpg n ALA 324 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2wpg s ILE 325 N 3.26 5.03 0.17 0.00 -1.09 -1.26 -4.62 121.20 122.69 2wpg s ILE 325 Ca 0.79 -1.52 -0.08 0.00 -2.23 0.00 0.00 60.65 57.61 2wpg s ILE 325 Cb -1.04 -4.53 -0.01 0.00 -1.58 0.00 0.00 42.46 35.29 2wpg s ILE 325 CO 0.51 -1.16 0.27 0.68 -1.23 0.00 0.00 174.94 174.00 2wpg s VAL 326 N 1.98 0.06 0.33 2.92 -7.23 -1.26 -4.99 120.40 112.21 2wpg s VAL 326 Ca 0.17 -1.50 -0.28 0.00 -1.81 0.00 0.00 61.98 58.55 2wpg s VAL 326 Cb -0.17 -1.97 -0.12 0.00 0.56 0.00 0.00 36.38 34.68 2wpg s VAL 326 CO -0.01 -0.25 1.32 -2.65 -0.31 0.00 0.00 175.10 173.19 2wpg n PRO 327 N -0.23 2.17 -0.11 4.82 -0.02 -1.26 -4.50 135.00 135.87 2wpg n PRO 327 Ca -0.06 0.76 0.25 0.00 -2.02 0.00 0.00 63.50 62.44 2wpg n PRO 327 Cb 0.63 -2.36 0.71 0.00 -0.02 0.00 0.00 33.50 32.46 2wpg n PRO 327 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wpg h MET 328 N 2.76 0.01 0.00 -0.52 -0.00 -1.93 0.27 114.93 115.51 2wpg h MET 328 Ca -0.46 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.24 2wpg h MET 328 Cb 1.28 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.88 2wpg h MET 328 CO 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 177.56 2wpg h ALA 329 N 1.62 1.00 -0.26 -3.00 0.00 -1.93 -2.14 119.26 114.56 2wpg h ALA 329 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2wpg h ALA 329 Cb 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2wpg h ALA 329 CO -0.01 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.63 2wpg n GLU 330 N -2.76 2.28 -0.00 0.00 1.02 0.94 -4.47 120.64 117.65 2wpg n GLU 330 Ca -0.01 -1.92 -0.11 0.00 -0.02 0.00 0.00 57.16 55.10 2wpg n GLU 330 Cb 0.13 -1.48 -0.14 0.00 -0.02 0.00 0.00 31.44 29.93 2wpg n GLU 330 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2wpg h LEU 331 N 3.98 0.10 -1.41 -4.62 4.07 -1.48 -3.39 115.31 112.56 2wpg h LEU 331 Ca 0.00 -0.20 0.21 0.00 0.08 0.00 0.00 57.88 57.97 2wpg h LEU 331 Cb 0.87 -0.03 -0.08 0.00 1.08 0.00 0.00 40.66 42.50 2wpg h LEU 331 CO 0.00 1.18 0.61 -0.65 -1.08 0.00 0.00 178.44 178.50 2wpg h PRO 332 N 0.02 0.46 -0.16 1.13 0.11 -1.78 0.56 132.00 132.34 2wpg h PRO 332 Ca -0.29 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.84 2wpg h PRO 332 Cb 2.00 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 33.00 2wpg h PRO 332 CO 0.09 0.30 0.12 -1.35 -0.21 0.00 0.00 178.00 176.96 2wpg h PRO 333 N 0.47 0.00 0.00 1.05 0.11 -1.88 -1.27 132.00 130.48 2wpg h PRO 333 Ca 0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.60 2wpg h PRO 333 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2wpg h PRO 333 CO -0.22 0.00 -0.08 1.88 -0.21 0.00 0.00 178.00 179.37 2wpg h TYR 334 N 0.00 0.00 -0.00 0.65 0.05 -1.15 -1.09 116.97 115.42 2wpg h TYR 334 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.85 2wpg h TYR 334 Cb 0.32 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.06 2wpg h TYR 334 CO 0.00 0.08 -0.11 1.19 -1.05 0.00 0.00 178.16 178.27 2wpg n PHE 335 N -3.35 0.00 0.00 4.88 3.72 -0.48 -0.67 117.46 121.56 2wpg n PHE 335 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2wpg n PHE 335 Cb 0.26 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.48 2wpg n PHE 335 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wpg n GLY 336 N 1.39 2.56 3.48 1.37 0.00 -0.41 -0.95 105.19 112.63 2wpg n GLY 336 Ca 0.11 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 2wpg n GLY 336 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wpg s SER 337 N 0.00 3.93 1.58 1.61 0.01 -1.26 -3.74 113.70 115.84 2wpg s SER 337 Ca 0.00 -0.42 0.00 0.00 1.31 0.00 0.00 55.95 56.84 2wpg s SER 337 Cb 0.00 -0.66 0.00 0.00 0.21 0.00 0.00 66.02 65.57 2wpg s SER 337 CO 0.00 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2wpg n GLY 338 N 1.36 3.24 0.01 3.44 0.00 -1.26 -1.17 105.19 110.81 2wpg n GLY 338 Ca -0.16 -0.23 0.05 0.00 0.00 0.00 0.00 46.02 45.69 2wpg n GLY 338 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wpg n VAL 339 N 0.00 1.29 1.10 1.61 0.24 -1.26 -1.72 118.33 119.60 2wpg n VAL 339 Ca 0.00 0.34 0.12 0.00 -2.04 0.00 0.00 64.34 62.77 2wpg n VAL 339 Cb 0.00 -1.19 0.32 0.00 -1.47 0.00 0.00 33.84 31.50 2wpg n VAL 339 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wpg n GLN 340 N -1.58 0.32 -1.68 7.34 1.13 -0.31 -4.86 117.38 117.74 2wpg n GLN 340 Ca 0.02 -0.18 -0.45 0.00 -1.94 0.00 0.00 57.00 54.45 2wpg n GLN 340 Cb 0.12 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 28.93 2wpg n GLN 340 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2wpg n ARG 341 N -1.18 2.35 -0.95 -1.09 0.63 -0.70 0.22 116.66 115.94 2wpg n ARG 341 Ca 0.08 0.85 0.00 0.00 -0.92 0.00 0.00 57.85 57.86 2wpg n ARG 341 Cb 0.34 -2.65 0.00 0.00 0.45 0.00 0.00 32.46 30.60 2wpg n ARG 341 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wpg n GLY 342 N 3.67 0.73 1.63 5.14 0.00 -0.12 -4.91 105.19 111.33 2wpg n GLY 342 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 2wpg n GLY 342 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wpg n HIS 343 N -2.51 0.79 0.00 1.61 8.25 0.13 -4.99 115.22 118.49 2wpg n HIS 343 Ca 0.00 -1.45 0.00 0.00 -0.26 0.00 0.00 57.72 56.01 2wpg n HIS 343 Cb 0.00 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 30.88 2wpg n HIS 343 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2wpg n GLU 344 N -0.42 0.00 -3.06 -0.41 2.13 -1.25 -4.56 120.64 113.08 2wpg n GLU 344 Ca 0.17 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.61 2wpg n GLU 344 Cb 0.91 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.56 2wpg n GLU 344 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2wpg h HIS 346 N 4.12 0.56 -3.96 0.00 3.86 -0.72 -3.40 115.15 115.60 2wpg h HIS 346 Ca -0.48 -0.35 -0.42 0.00 -1.16 0.00 0.00 60.37 57.96 2wpg h HIS 346 Cb 1.20 -0.05 -0.22 0.00 1.06 0.00 0.00 27.41 29.41 2wpg h HIS 346 CO 0.65 1.21 -0.78 -0.51 0.86 0.00 0.00 177.93 179.36 2wpg s LEU 347 N -7.47 2.26 0.04 2.43 1.43 -0.89 -1.38 118.68 115.11 2wpg s LEU 347 Ca -0.05 -0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 52.41 2wpg s LEU 347 Cb 0.08 -0.54 -0.02 0.00 0.03 0.00 0.00 46.19 45.74 2wpg s LEU 347 CO 0.88 -0.06 0.07 0.00 0.23 0.00 0.00 176.35 177.47 2wpg s ALA 348 N -1.21 0.04 0.08 4.21 0.00 -1.16 -1.00 121.76 122.72 2wpg s ALA 348 Ca -0.01 -0.69 -0.26 0.00 0.00 0.00 0.00 51.96 51.00 2wpg s ALA 348 Cb -0.10 0.27 -0.06 0.00 0.00 0.00 0.00 23.12 23.24 2wpg s ALA 348 CO 0.02 -0.34 0.80 0.71 0.00 0.00 0.00 175.76 176.96 2wpg s TYR 349 N -2.92 3.78 -1.23 0.00 2.02 -1.26 -1.04 117.35 116.71 2wpg s TYR 349 Ca -0.02 1.56 -0.07 0.00 -0.37 0.00 0.00 57.07 58.17 2wpg s TYR 349 Cb 0.01 -2.86 0.20 0.00 -0.40 0.00 0.00 41.96 38.91 2wpg s TYR 349 CO -0.06 0.30 1.85 1.58 -1.57 0.00 0.00 175.55 177.65 2wpg n HIS 350 N 2.60 2.70 0.10 2.71 -0.00 -0.09 -4.72 115.22 118.53 2wpg n HIS 350 Ca -0.02 -2.73 0.03 0.00 0.46 0.00 0.00 57.72 55.46 2wpg n HIS 350 Cb 0.50 -1.74 0.40 0.00 -0.12 0.00 0.00 29.99 29.03 2wpg n HIS 350 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 2wpg h SER 351 N 5.44 0.27 -0.53 0.26 0.02 -1.85 -2.22 113.55 114.94 2wpg h SER 351 Ca 0.40 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.31 2wpg h SER 351 Cb 0.57 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 2wpg h SER 351 CO 1.52 0.38 0.34 0.74 -1.14 0.00 0.00 176.83 178.67 2wpg h THR 352 N 0.28 1.12 -0.27 -2.27 2.02 -1.84 -0.74 112.91 111.20 2wpg h THR 352 Ca 0.06 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 2wpg h THR 352 Cb 0.30 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2wpg h THR 352 CO 0.01 0.13 -0.02 0.25 0.37 0.00 0.00 175.52 176.26 2wpg h LEU 353 N 0.69 0.48 -0.19 2.58 5.85 -1.84 -0.78 115.31 122.09 2wpg h LEU 353 Ca 0.20 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.64 2wpg h LEU 353 Cb -0.06 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.77 2wpg h LEU 353 CO -0.06 0.69 -0.44 -0.03 -0.34 0.00 0.00 178.44 178.26 2wpg h MET 354 N 0.26 -0.45 -0.59 1.25 4.05 -1.17 0.04 114.93 118.31 2wpg h MET 354 Ca 0.07 0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.48 2wpg h MET 354 Cb 0.45 0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.33 2wpg h MET 354 CO 0.02 -0.30 0.20 0.00 0.23 0.00 0.00 176.91 177.06 2wpg h ALA 355 N 0.12 1.25 -0.22 0.39 0.00 -1.07 -2.30 119.26 117.44 2wpg h ALA 355 Ca 0.08 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2wpg h ALA 355 Cb 0.63 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2wpg h ALA 355 CO -0.44 0.54 -0.11 0.00 0.00 0.00 0.00 179.25 179.24 2wpg h ALA 356 N 1.37 1.41 0.16 0.00 0.00 -0.59 -1.31 119.26 120.29 2wpg h ALA 356 Ca 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wpg h ALA 356 Cb 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wpg h ALA 356 CO -0.01 0.41 -0.08 0.78 0.00 0.00 0.00 179.25 180.35 2wpg h GLY 357 N 0.81 -0.22 1.02 0.00 0.00 -0.42 0.50 103.07 104.77 2wpg h GLY 357 Ca 0.07 0.08 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 2wpg h GLY 357 CO 0.02 -0.08 0.42 1.49 0.00 0.00 0.00 176.54 178.40 2wpg h TRP 358 N -0.25 1.11 -0.05 5.60 4.06 -1.38 -1.42 115.95 123.61 2wpg h TRP 358 Ca -0.02 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.89 2wpg h TRP 358 Cb 0.20 -0.35 -0.00 0.00 -1.00 0.00 0.00 29.16 28.01 2wpg h TRP 358 CO -0.05 0.78 0.02 0.77 -3.56 0.00 0.00 178.44 176.40 2wpg h SER 359 N 1.11 0.07 -1.00 -3.49 0.02 -1.15 -0.91 113.55 108.20 2wpg h SER 359 Ca 0.28 -0.13 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 2wpg h SER 359 Cb 0.05 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 62.50 2wpg h SER 359 CO -0.04 0.17 0.64 0.00 -1.14 0.00 0.00 176.83 176.46 2wpg h ALA 360 N 0.89 1.40 -0.07 3.77 0.00 -0.78 -0.70 119.26 123.79 2wpg h ALA 360 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2wpg h ALA 360 Cb 0.13 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2wpg h ALA 360 CO -0.00 0.40 -0.01 1.25 0.00 0.00 0.00 179.25 180.89 2wpg h LEU 361 N 1.14 0.12 -0.83 0.00 5.85 -1.01 0.23 115.31 120.81 2wpg h LEU 361 Ca 0.44 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 2wpg h LEU 361 Cb 0.22 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2wpg h LEU 361 CO -0.19 0.44 0.35 0.00 -0.34 0.00 0.00 178.44 178.70 2wpg h ALA 362 N 0.69 1.07 -0.07 1.25 0.00 -0.81 -2.88 119.26 118.51 2wpg h ALA 362 Ca 0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2wpg h ALA 362 Cb 0.38 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2wpg h ALA 362 CO 0.01 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.21 2wpg n LEU 363 N -4.28 2.50 -3.83 0.00 4.77 -0.30 -4.96 117.00 110.89 2wpg n LEU 363 Ca 0.08 -0.88 -0.26 0.00 -0.03 0.00 0.00 56.01 54.92 2wpg n LEU 363 Cb 0.17 -0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 2wpg n LEU 363 CO 0.41 0.44 -0.16 0.00 -1.33 0.00 0.00 177.39 176.74 2wpg n GLN 364 N 0.94 -3.23 -3.62 3.23 6.02 0.63 -4.96 117.38 116.38 2wpg n GLN 364 Ca 0.16 0.47 -0.29 0.00 -0.01 0.00 0.00 57.00 57.33 2wpg n GLN 364 Cb 0.51 -4.60 -0.13 0.00 1.02 0.00 0.00 30.24 27.04 2wpg n GLN 364 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2wpg s ARG 365 N -6.29 0.80 0.58 -1.09 0.52 -0.15 -4.47 118.95 108.86 2wpg s ARG 365 Ca 0.10 -1.41 0.38 0.00 -0.52 0.00 0.00 55.73 54.28 2wpg s ARG 365 Cb -0.04 -1.81 1.88 0.00 0.52 0.00 0.00 34.95 35.50 2wpg s ARG 365 CO 0.86 -1.12 2.15 0.78 0.02 0.00 0.00 175.30 178.00 2wpg h GLY 366 N 7.32 0.00 2.00 -3.53 0.00 -0.58 -2.90 103.07 105.38 2wpg h GLY 366 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 2wpg h GLY 366 CO 0.41 0.00 -0.15 1.29 0.00 0.00 0.00 176.54 178.09 2wpg h ASP 367 N 0.00 0.00 -0.60 0.19 2.03 -1.38 -1.16 116.42 115.51 2wpg h ASP 367 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2wpg h ASP 367 Cb 0.22 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.69 2wpg h ASP 367 CO 0.00 0.15 0.38 0.40 -1.03 0.00 0.00 179.24 179.14 2wpg h ILE 368 N 0.00 1.17 -0.44 4.15 2.04 -1.81 -1.84 117.51 120.78 2wpg h ILE 368 Ca -0.00 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 2wpg h ILE 368 Cb 0.36 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2wpg h ILE 368 CO 0.02 0.17 -0.22 -0.07 0.00 0.00 0.00 178.15 178.04 2wpg h LEU 369 N 0.81 0.95 -0.43 1.44 3.38 -1.48 -2.43 115.31 117.55 2wpg h LEU 369 Ca 0.22 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 57.86 2wpg h LEU 369 Cb -0.06 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.36 2wpg h LEU 369 CO -0.04 1.15 -0.01 -0.61 0.09 0.00 0.00 178.44 179.01 2wpg h GLN 370 N 0.75 0.09 -0.52 1.13 -0.00 -1.03 -0.96 115.11 114.57 2wpg h GLN 370 Ca 0.10 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.74 2wpg h GLN 370 Cb 0.79 -0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.23 2wpg h GLN 370 CO 0.07 0.06 0.32 0.22 0.00 0.00 0.00 178.83 179.49 2wpg h ASP 371 N 0.09 0.63 -0.10 -0.69 3.58 -1.25 -0.34 116.42 118.34 2wpg h ASP 371 Ca 0.21 -0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.62 2wpg h ASP 371 Cb 0.31 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.19 2wpg h ASP 371 CO -0.37 0.50 0.02 0.58 -2.88 0.00 0.00 179.24 177.09 2wpg h VAL 372 N 0.70 0.96 -0.50 2.25 2.07 -0.88 -2.39 116.25 118.46 2wpg h VAL 372 Ca 0.19 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 2wpg h VAL 372 Cb -0.02 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2wpg h VAL 372 CO -0.04 0.01 0.24 0.40 0.02 0.00 0.00 177.57 178.21 2wpg h ILE 373 N 0.06 1.19 -0.43 4.57 1.08 -1.00 -1.36 117.51 121.62 2wpg h ILE 373 Ca 0.04 -0.54 0.11 0.00 -0.39 0.00 0.00 64.86 64.08 2wpg h ILE 373 Cb 0.04 0.63 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 2wpg h ILE 373 CO -0.06 0.21 0.30 0.00 -0.69 0.00 0.00 178.15 177.92 2wpg h ALA 374 N 1.08 2.30 -0.34 1.87 0.00 -0.84 -2.67 119.26 120.66 2wpg h ALA 374 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wpg h ALA 374 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2wpg h ALA 374 CO -0.02 -0.42 0.00 0.72 0.00 0.00 0.00 179.25 179.53 2wpg n HIS 375 N -4.43 0.47 -1.81 0.00 8.25 -0.92 -5.00 115.22 111.79 2wpg n HIS 375 Ca 0.07 -0.51 -0.42 0.00 -0.26 0.00 0.00 57.72 56.60 2wpg n HIS 375 Cb 0.45 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 2wpg n HIS 375 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2wpg s SER 376 N -1.02 6.45 0.33 0.41 0.01 -0.55 -4.92 113.70 114.40 2wpg s SER 376 Ca 0.23 2.80 -0.29 0.00 1.31 0.00 0.00 55.95 60.00 2wpg s SER 376 Cb 0.12 -2.60 -0.12 0.00 0.21 0.00 0.00 66.02 63.63 2wpg s SER 376 CO 0.15 -0.91 1.35 -2.65 0.41 0.00 0.00 173.24 171.60 2wpg n PRO 377 N 3.66 2.22 -1.98 12.44 -0.02 -1.26 -4.93 135.00 145.14 2wpg n PRO 377 Ca 0.14 0.78 -0.41 0.00 -2.02 0.00 0.00 63.50 62.00 2wpg n PRO 377 Cb 0.37 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.43 2wpg n PRO 377 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2wpg s PRO 378 N -1.62 4.16 -0.16 0.52 0.04 -1.26 -4.99 135.00 131.69 2wpg s PRO 378 Ca 0.57 2.35 -0.22 0.00 0.04 0.00 0.00 61.00 63.73 2wpg s PRO 378 Cb -0.56 -2.96 -0.03 0.00 0.04 0.00 0.00 34.50 30.99 2wpg s PRO 378 CO 0.60 -0.40 0.69 -0.51 0.04 0.00 0.00 177.00 177.42 2wpg s LEU 379 N -2.06 4.19 0.99 -3.56 1.43 -1.26 -5.05 118.68 113.36 2wpg s LEU 379 Ca 0.52 1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 54.51 2wpg s LEU 379 Cb -0.42 -3.02 0.18 0.00 0.03 0.00 0.00 46.19 42.97 2wpg s LEU 379 CO 0.56 -0.26 1.09 -2.84 0.23 0.00 0.00 176.35 175.13 2wpg s PRO 380 N 1.68 0.47 0.48 1.29 0.02 -1.26 -4.91 135.00 132.77 2wpg s PRO 380 Ca 0.33 1.07 -0.23 0.00 0.02 0.00 0.00 61.00 62.20 2wpg s PRO 380 Cb -0.16 -1.70 -0.08 0.00 0.02 0.00 0.00 34.50 32.58 2wpg s PRO 380 CO 0.13 -2.85 1.12 -2.30 -0.33 0.00 0.00 177.00 172.76 2wpg n PRO 381 N -4.34 1.46 -2.59 5.54 -0.02 -1.26 -2.14 135.00 131.65 2wpg n PRO 381 Ca 0.07 0.53 -0.21 0.00 -2.02 0.00 0.00 63.50 61.88 2wpg n PRO 381 Cb 0.54 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2wpg n PRO 381 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2wpg n ASN 382 N -0.06 -5.73 -4.15 2.55 3.02 -1.26 -4.75 115.26 104.86 2wpg n ASN 382 Ca 0.10 -0.08 -0.16 0.00 -0.03 0.00 0.00 54.58 54.41 2wpg n ASN 382 Cb 0.42 -4.74 -0.11 0.00 -0.61 0.00 0.00 39.78 34.74 2wpg n ASN 382 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wpg s ALA 384 N -1.82 -0.95 0.10 0.00 0.00 -0.48 -4.75 121.76 113.86 2wpg s ALA 384 Ca -0.00 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.39 2wpg s ALA 384 Cb -0.07 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 2wpg s ALA 384 CO 0.01 -1.01 0.23 -1.58 0.00 0.00 0.00 175.76 173.41 2wpg s TRP 385 N -2.74 3.47 -0.25 0.00 0.52 -0.82 -2.96 118.94 116.15 2wpg s TRP 385 Ca 0.15 0.17 -0.16 0.00 0.02 0.00 0.00 56.10 56.27 2wpg s TRP 385 Cb -0.05 -1.70 -0.03 0.00 -1.15 0.00 0.00 33.47 30.54 2wpg s TRP 385 CO 0.10 0.55 0.44 -0.51 0.02 0.00 0.00 176.95 177.54 2wpg s LEU 386 N -2.83 4.08 -0.04 2.99 2.01 -0.20 -0.78 118.68 123.90 2wpg s LEU 386 Ca 0.34 0.45 -0.01 0.00 0.01 0.00 0.00 54.13 54.92 2wpg s LEU 386 Cb -0.12 -2.55 -0.04 0.00 0.01 0.00 0.00 46.19 43.50 2wpg s LEU 386 CO 0.28 -0.19 0.02 -0.44 1.01 0.00 0.00 176.35 177.02 2wpg s SER 387 N 1.44 5.32 0.19 2.29 0.01 -0.56 -0.91 113.70 121.49 2wpg s SER 387 Ca 0.19 0.11 -0.15 0.00 1.31 0.00 0.00 55.95 57.40 2wpg s SER 387 Cb -0.15 -1.48 0.02 0.00 0.21 0.00 0.00 66.02 64.61 2wpg s SER 387 CO 0.09 0.33 0.47 -0.72 0.41 0.00 0.00 173.24 173.82 2wpg s TYR 388 N -1.01 0.04 -0.08 2.43 -0.85 -1.26 0.17 117.35 116.78 2wpg s TYR 388 Ca 0.17 -0.39 -0.02 0.00 -0.52 0.00 0.00 57.07 56.32 2wpg s TYR 388 Cb -0.12 0.28 -0.05 0.00 0.38 0.00 0.00 41.96 42.46 2wpg s TYR 388 CO 0.07 -0.88 -0.09 0.28 -1.52 0.00 0.00 175.55 173.41 2wpg n VAL 389 N -0.32 0.46 -4.31 -3.49 0.31 -1.26 -4.33 118.33 105.39 2wpg n VAL 389 Ca -0.09 -0.15 -0.19 0.00 -0.01 0.00 0.00 64.34 63.90 2wpg n VAL 389 Cb 0.62 -1.15 -0.09 0.00 -0.91 0.00 0.00 33.84 32.32 2wpg n VAL 389 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wpg s ARG 390 N -2.16 1.67 0.15 5.55 1.81 -1.26 -4.96 118.95 119.76 2wpg s ARG 390 Ca -0.11 -1.97 -0.07 0.00 -1.72 0.00 0.00 55.73 51.86 2wpg s ARG 390 Cb 0.04 0.13 0.03 0.00 -0.45 0.00 0.00 34.95 34.69 2wpg s ARG 390 CO 0.17 -0.56 0.35 0.00 -0.68 0.00 0.00 175.30 174.58 2wpg h HIS 392 N 1.41 0.00 -1.50 0.00 2.07 -1.96 -3.44 115.15 111.73 2wpg h HIS 392 Ca -0.13 0.00 -0.43 0.00 -2.85 0.00 0.00 60.37 56.96 2wpg h HIS 392 Cb 0.51 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.51 2wpg h HIS 392 CO 0.00 0.00 -0.23 -0.51 -3.07 0.00 0.00 177.93 174.12 2wpg s ASP 393 N -4.92 5.58 0.80 3.10 1.01 -1.26 -4.93 116.67 116.05 2wpg s ASP 393 Ca 0.02 -0.41 -0.12 0.00 0.71 0.00 0.00 52.55 52.76 2wpg s ASP 393 Cb 0.09 -0.62 0.08 0.00 1.01 0.00 0.00 42.92 43.48 2wpg s ASP 393 CO 0.46 -0.84 1.13 1.51 0.21 0.00 0.00 175.17 177.65 2wpg s ASP 394 N -4.38 3.98 -0.17 0.27 -4.77 -1.26 -4.95 116.67 105.39 2wpg s ASP 394 Ca 0.56 2.07 -0.29 0.00 -3.30 0.00 0.00 52.55 51.58 2wpg s ASP 394 Cb -0.10 -2.55 -0.03 0.00 -1.09 0.00 0.00 42.92 39.15 2wpg s ASP 394 CO 0.34 -2.39 1.59 -0.63 0.70 0.00 0.00 175.17 174.78 2wpg s ILE 395 N -2.58 3.72 -0.52 2.11 1.01 -0.22 -4.80 121.20 119.93 2wpg s ILE 395 Ca 0.66 0.84 -0.21 0.00 0.00 0.00 0.00 60.65 61.94 2wpg s ILE 395 Cb -0.22 -3.66 0.05 0.00 0.01 0.00 0.00 42.46 38.64 2wpg s ILE 395 CO 0.53 -0.21 0.72 -0.83 0.00 0.00 0.00 174.94 175.15 2wpg s GLY 396 N 3.78 1.66 0.45 6.18 0.00 -1.26 -1.89 107.32 116.24 2wpg s GLY 396 Ca 0.70 -1.57 0.25 0.00 0.00 0.00 0.00 44.72 44.10 2wpg s GLY 396 CO 0.28 1.65 1.84 1.49 0.00 0.00 0.00 173.10 178.36 2wpg h TRP 397 N 9.09 0.00 -0.25 1.90 4.06 -1.88 -3.30 115.95 125.56 2wpg h TRP 397 Ca -0.27 0.00 0.07 0.00 2.06 0.00 0.00 58.89 60.75 2wpg h TRP 397 Cb 1.09 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.24 2wpg h TRP 397 CO 0.80 0.20 0.24 -2.95 -3.56 0.00 0.00 178.44 173.17 2wpg h ASN 398 N 0.00 0.00 0.06 -3.49 -1.07 -1.90 -0.75 115.58 108.43 2wpg h ASN 398 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2wpg h ASN 398 Cb 0.72 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.97 2wpg h ASN 398 CO 0.03 0.00 0.00 -0.37 0.07 0.00 0.00 177.43 177.16 2wpg h VAL 399 N 0.00 0.00 -0.50 6.14 -1.51 -1.93 -2.06 116.25 116.40 2wpg h VAL 399 Ca 0.12 -0.03 0.00 0.00 -1.23 0.00 0.00 66.70 65.56 2wpg h VAL 399 Cb 0.60 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.61 2wpg h VAL 399 CO -0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 177.57 176.23 2wpg n LEU 400 N -2.80 4.09 -0.18 4.19 7.94 -0.29 -4.38 117.00 125.58 2wpg n LEU 400 Ca -0.02 -2.43 -0.04 0.00 -1.11 0.00 0.00 56.01 52.41 2wpg n LEU 400 Cb 0.07 -0.48 0.06 0.00 0.53 0.00 0.00 43.42 43.60 2wpg n LEU 400 CO 0.17 0.77 1.03 -0.61 -1.11 0.00 0.00 177.39 177.64 2wpg h GLN 401 N 3.10 0.52 -0.36 1.96 4.15 -1.52 -1.46 115.11 121.51 2wpg h GLN 401 Ca 0.00 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 2wpg h GLN 401 Cb 1.25 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.81 2wpg h GLN 401 CO 0.16 0.34 0.21 1.25 -1.93 0.00 0.00 178.83 178.86 2wpg h HIS 402 N 0.53 0.48 -0.06 3.99 2.76 -1.84 -2.77 115.15 118.25 2wpg h HIS 402 Ca 0.23 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.30 2wpg h HIS 402 Cb 0.14 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 2wpg h HIS 402 CO -0.10 0.36 -0.39 0.93 -1.30 0.00 0.00 177.93 177.43 2wpg h GLU 403 N 0.46 0.12 0.00 5.26 3.07 -1.82 -3.08 114.58 118.58 2wpg h GLU 403 Ca 0.13 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.85 2wpg h GLU 403 Cb 0.03 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 2wpg h GLU 403 CO -0.02 0.50 -0.39 0.00 -1.40 0.00 0.00 179.01 177.70 2wpg h ALA 404 N 1.50 1.16 0.00 3.43 0.00 -1.00 -1.68 119.26 122.68 2wpg h ALA 404 Ca 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2wpg h ALA 404 Cb 0.75 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2wpg h ALA 404 CO 0.06 0.49 -0.11 0.00 0.00 0.00 0.00 179.25 179.69 2wpg h ALA 405 N 1.61 1.12 -1.67 0.00 0.00 -1.41 -1.48 119.26 117.43 2wpg h ALA 405 Ca -0.00 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 54.95 2wpg h ALA 405 Cb 0.78 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2wpg h ALA 405 CO 0.05 0.13 -0.19 0.41 0.00 0.00 0.00 179.25 179.65 2wpg n GLY 406 N -0.35 -1.77 0.76 0.00 0.00 -0.63 -4.47 105.19 98.72 2wpg n GLY 406 Ca -0.01 -1.24 -0.05 0.00 0.00 0.00 0.00 46.02 44.72 2wpg n GLY 406 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wpg n THR 407 N -2.27 0.00 0.18 2.61 -2.24 0.29 -4.91 114.28 107.95 2wpg n THR 407 Ca 0.00 -0.56 0.02 0.00 -2.27 0.00 0.00 64.05 61.24 2wpg n THR 407 Cb 0.24 0.29 0.36 0.00 -2.10 0.00 0.00 70.33 69.11 2wpg n THR 407 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wpg h ALA 408 N 1.28 1.39 0.00 6.98 0.00 -2.01 -2.95 119.26 123.94 2wpg h ALA 408 Ca -0.06 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2wpg h ALA 408 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2wpg h ALA 408 CO 0.08 0.46 -1.26 0.00 0.00 0.00 0.00 179.25 178.53 2wpg n ALA 409 N -2.47 3.53 -4.00 0.00 0.00 -1.26 -4.87 120.51 111.45 2wpg n ALA 409 Ca -0.02 -0.47 -0.30 0.00 0.00 0.00 0.00 53.44 52.65 2wpg n ALA 409 Cb 0.40 -0.88 -0.16 0.00 0.00 0.00 0.00 19.45 18.81 2wpg n ALA 409 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wpg s GLN 410 N -3.24 2.09 0.32 0.00 -1.52 -1.12 -5.12 119.66 111.08 2wpg s GLN 410 Ca 0.02 -0.70 -0.29 0.00 -1.95 0.00 0.00 55.36 52.44 2wpg s GLN 410 Cb 0.14 -2.25 -0.10 0.00 -0.22 0.00 0.00 33.01 30.58 2wpg s GLN 410 CO 0.84 -0.35 1.32 -2.14 -0.25 0.00 0.00 175.29 174.72 2wpg s PRO 411 N 1.45 4.34 1.02 2.91 0.02 -1.26 0.11 135.00 143.59 2wpg s PRO 411 Ca 0.02 2.23 -0.12 0.00 0.02 0.00 0.00 61.00 63.15 2wpg s PRO 411 Cb -0.15 -3.07 0.20 0.00 0.02 0.00 0.00 34.50 31.50 2wpg s PRO 411 CO -0.09 -0.22 1.07 -1.25 -0.33 0.00 0.00 177.00 176.18 2wpg s PRO 412 N -1.65 0.20 0.14 5.54 0.04 -1.26 -4.67 135.00 133.34 2wpg s PRO 412 Ca 0.50 0.85 -0.04 0.00 0.04 0.00 0.00 61.00 62.35 2wpg s PRO 412 Cb -0.40 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2wpg s PRO 412 CO 0.52 -2.97 0.14 -0.59 0.04 0.00 0.00 177.00 174.14 2wpg s PHE 413 N -2.73 0.65 -0.35 0.56 -0.12 -0.56 -4.95 117.98 110.49 2wpg s PHE 413 Ca 0.66 -1.03 -0.12 0.00 -0.05 0.00 0.00 56.93 56.39 2wpg s PHE 413 Cb -0.21 -0.30 -0.00 0.00 -0.63 0.00 0.00 43.02 41.87 2wpg s PHE 413 CO 0.60 -0.59 0.22 0.45 -0.05 0.00 0.00 175.22 175.86 2wpg s SER 414 N -3.01 5.90 0.31 1.98 0.15 -1.26 -4.64 113.70 113.13 2wpg s SER 414 Ca 0.20 -0.58 0.06 0.00 0.70 0.00 0.00 55.95 56.33 2wpg s SER 414 Cb 0.06 -2.09 0.51 0.00 -1.71 0.00 0.00 66.02 62.78 2wpg s SER 414 CO 0.00 -0.27 1.75 -0.07 1.20 0.00 0.00 173.24 175.85 2wpg h LEU 415 N 8.47 0.33 -0.82 3.45 3.38 -1.97 -2.14 115.31 126.00 2wpg h LEU 415 Ca -0.30 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 2wpg h LEU 415 Cb 1.14 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 2wpg h LEU 415 CO 0.65 0.62 -0.20 0.03 0.09 0.00 0.00 178.44 179.62 2wpg h ARG 416 N 0.29 0.66 -0.71 1.13 3.08 -1.99 -0.56 114.38 116.28 2wpg h ARG 416 Ca 0.04 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.79 2wpg h ARG 416 Cb 0.67 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.65 2wpg h ARG 416 CO 0.05 0.82 0.24 1.49 -1.07 0.00 0.00 179.97 181.50 2wpg h GLU 417 N 0.59 1.09 -0.21 0.04 4.81 -1.90 -0.23 114.58 118.77 2wpg h GLU 417 Ca 0.09 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 2wpg h GLU 417 Cb 0.66 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2wpg h GLU 417 CO 0.05 0.92 0.01 0.28 -0.73 0.00 0.00 179.01 179.55 2wpg h VAL 418 N 1.03 1.24 -0.81 0.32 2.07 -1.12 -1.74 116.25 117.24 2wpg h VAL 418 Ca 0.23 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 2wpg h VAL 418 Cb 0.28 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2wpg h VAL 418 CO -0.01 0.25 0.41 0.00 0.02 0.00 0.00 177.57 178.24 2wpg h ALA 419 N 0.81 1.05 -0.19 1.67 0.00 -0.99 -2.16 119.26 119.46 2wpg h ALA 419 Ca 0.06 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2wpg h ALA 419 Cb 0.37 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2wpg h ALA 419 CO 0.01 0.59 -0.38 1.96 0.00 0.00 0.00 179.25 181.43 2wpg h GLN 420 N 1.15 0.41 0.25 0.00 4.20 -0.97 -1.63 115.11 118.52 2wpg h GLN 420 Ca 0.28 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2wpg h GLN 420 Cb 0.09 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2wpg h GLN 420 CO -0.04 0.74 -0.26 0.35 -0.67 0.00 0.00 178.83 178.95 2wpg h PHE 421 N 0.35 -0.70 0.00 2.96 3.57 -0.86 -0.12 116.94 122.14 2wpg h PHE 421 Ca 0.03 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2wpg h PHE 421 Cb 0.83 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.84 2wpg h PHE 421 CO 0.02 -0.38 -0.13 1.88 -2.23 0.00 0.00 178.31 177.47 2wpg h TYR 422 N -0.55 0.00 -0.24 0.41 -1.99 -1.21 -1.04 116.97 112.35 2wpg h TYR 422 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2wpg h TYR 422 Cb 0.51 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.24 2wpg h TYR 422 CO -0.18 0.13 0.00 0.00 -0.00 0.00 0.00 178.16 178.11 2wpg n ALA 423 N -2.23 2.49 -3.69 3.88 0.00 -0.63 -0.61 120.51 119.72 2wpg n ALA 423 Ca -0.01 -0.51 -0.25 0.00 0.00 0.00 0.00 53.44 52.67 2wpg n ALA 423 Cb 0.29 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.76 2wpg n ALA 423 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2wpg n ASN 424 N 0.31 -4.63 -0.41 0.00 5.15 -0.40 -4.73 115.26 110.55 2wpg n ASN 424 Ca 0.13 -0.66 0.12 0.00 -0.60 0.00 0.00 54.58 53.56 2wpg n ASN 424 Cb 0.28 -4.56 0.13 0.00 -0.53 0.00 0.00 39.78 35.09 2wpg n ASN 424 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wpg n ALA 425 N -4.70 3.41 -3.22 5.20 0.00 -0.10 -4.81 120.51 116.30 2wpg n ALA 425 Ca -0.06 -0.56 -0.32 0.00 0.00 0.00 0.00 53.44 52.50 2wpg n ALA 425 Cb 0.58 -0.91 -0.17 0.00 0.00 0.00 0.00 19.45 18.95 2wpg n ALA 425 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wpg s VAL 426 N -2.49 2.08 0.40 0.00 1.01 -1.26 -5.02 120.40 115.12 2wpg s VAL 426 Ca 0.20 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 60.94 2wpg s VAL 426 Cb 0.18 -1.79 -0.12 0.00 0.00 0.00 0.00 36.38 34.65 2wpg s VAL 426 CO 0.56 0.56 0.69 -2.65 0.00 0.00 0.00 175.10 174.25 2wpg n PRO 427 N 3.53 0.77 0.00 2.72 -0.02 -1.26 -2.75 135.00 137.99 2wpg n PRO 427 Ca -0.19 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2wpg n PRO 427 Cb 0.53 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2wpg n PRO 427 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wpg n GLY 428 N 1.61 3.11 3.71 -1.23 0.00 -1.26 -5.04 105.19 106.09 2wpg n GLY 428 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2wpg n GLY 428 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2wpg n SER 429 N 0.15 2.71 0.04 1.61 2.88 -1.11 -4.92 113.62 114.97 2wpg n SER 429 Ca 0.00 1.14 0.12 0.00 -1.33 0.00 0.00 58.87 58.80 2wpg n SER 429 Cb 0.00 -1.51 0.30 0.00 -0.75 0.00 0.00 64.21 62.25 2wpg n SER 429 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wpg n TYR 430 N -0.04 0.34 -2.74 0.66 0.18 -1.26 -4.93 117.16 109.36 2wpg n TYR 430 Ca 0.06 0.10 -0.34 0.00 1.88 0.00 0.00 57.90 59.59 2wpg n TYR 430 Cb 0.39 -0.54 -0.06 0.00 -0.38 0.00 0.00 39.34 38.75 2wpg n TYR 430 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2wpg s ALA 431 N -3.08 3.04 -0.37 -3.48 0.00 -1.26 -3.82 121.76 112.79 2wpg s ALA 431 Ca 0.10 0.49 0.12 0.00 0.00 0.00 0.00 51.96 52.67 2wpg s ALA 431 Cb 0.15 -3.19 0.44 0.00 0.00 0.00 0.00 23.12 20.53 2wpg s ALA 431 CO 0.67 0.03 1.02 0.54 0.00 0.00 0.00 175.76 178.02 2wpg n ARG 432 N -0.44 2.16 -1.13 0.00 5.12 0.34 -4.22 116.66 118.49 2wpg n ARG 432 Ca 0.06 -3.81 -0.09 0.00 -1.93 0.00 0.00 57.85 52.08 2wpg n ARG 432 Cb 0.53 -1.69 0.05 0.00 -1.16 0.00 0.00 32.46 30.19 2wpg n ARG 432 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wpg n GLY 433 N -0.25 0.13 2.99 -0.13 0.00 0.22 -4.76 105.19 103.39 2wpg n GLY 433 Ca 0.22 -1.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 2wpg n GLY 433 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wpg s GLU 434 N -3.57 0.30 0.38 1.61 2.02 0.04 -4.42 118.70 115.06 2wpg s GLU 434 Ca 0.25 -0.44 -0.25 0.00 0.02 0.00 0.00 54.97 54.55 2wpg s GLU 434 Cb -0.01 0.11 -0.09 0.00 0.10 0.00 0.00 34.13 34.24 2wpg s GLU 434 CO 0.17 -0.06 1.11 0.45 0.02 0.00 0.00 175.26 176.96 2wpg s SER 435 N -1.16 6.73 -0.25 -0.19 0.15 -1.26 0.49 113.70 118.20 2wpg s SER 435 Ca -0.13 2.22 -0.25 0.00 0.70 0.00 0.00 55.95 58.49 2wpg s SER 435 Cb -0.08 -2.61 -0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2wpg s SER 435 CO -0.00 -0.52 0.84 0.12 1.20 0.00 0.00 173.24 174.88 2wpg s PHE 436 N -1.46 3.29 0.00 3.44 5.36 0.01 -4.77 117.98 123.85 2wpg s PHE 436 Ca 0.55 1.11 0.00 0.00 -0.96 0.00 0.00 56.93 57.63 2wpg s PHE 436 Cb -0.28 -3.10 0.00 0.00 -0.34 0.00 0.00 43.02 39.30 2wpg s PHE 436 CO 0.35 -0.44 0.00 1.04 -1.46 0.00 0.00 175.22 174.71 2wpg n GLN 437 N 6.07 0.00 -1.53 10.12 6.02 -1.26 -4.59 117.38 132.21 2wpg n GLN 437 Ca 0.06 0.00 -0.56 0.00 -0.01 0.00 0.00 57.00 56.49 2wpg n GLN 437 Cb 0.47 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.66 2wpg n GLN 437 CO 0.00 0.00 0.00 1.55 -1.01 0.00 0.00 177.06 177.60 2wpg n VAL 443 N 0.00 0.10 -2.99 5.09 3.14 -1.26 -5.09 118.33 117.32 2wpg n VAL 443 Ca 0.00 -0.02 -0.39 0.00 -2.96 0.00 0.00 64.34 60.96 2wpg n VAL 443 Cb 0.00 -0.28 -0.06 0.00 -1.06 0.00 0.00 33.84 32.44 2wpg n VAL 443 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 2wpg s HIS 444 N 0.11 3.90 1.22 1.45 0.09 -1.26 -4.81 115.29 115.98 2wpg s HIS 444 Ca 0.87 1.62 -0.14 0.00 -0.00 0.00 0.00 55.06 57.41 2wpg s HIS 444 Cb -1.15 -2.76 0.30 0.00 -0.00 0.00 0.00 32.58 28.98 2wpg s HIS 444 CO 0.54 0.51 1.01 0.20 -0.00 0.00 0.00 174.74 177.00 2wpg s GLY 445 N -1.17 1.52 -0.14 -2.22 0.00 -1.26 -4.72 107.32 99.34 2wpg s GLY 445 Ca 0.36 -0.27 0.02 0.00 0.00 0.00 0.00 44.72 44.83 2wpg s GLY 445 CO 0.26 0.51 -0.21 -1.59 0.00 0.00 0.00 173.10 172.07 2wpg s THR 446 N -2.44 1.97 0.30 0.90 2.01 -0.79 -0.81 115.64 116.79 2wpg s THR 446 Ca 0.69 -0.92 -0.06 0.00 0.31 0.00 0.00 61.69 61.71 2wpg s THR 446 Cb -0.23 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 2wpg s THR 446 CO 0.64 0.53 0.58 0.20 -0.69 0.00 0.00 174.62 175.88 2wpg s ASN 447 N 0.90 6.46 0.00 3.53 0.01 0.18 -1.05 114.94 124.96 2wpg s ASN 447 Ca -0.06 0.76 0.00 0.00 -0.71 0.00 0.00 52.86 52.86 2wpg s ASN 447 Cb -0.15 -2.16 0.00 0.00 0.41 0.00 0.00 41.25 39.35 2wpg s ASN 447 CO -0.03 -0.22 0.00 0.61 -1.51 0.00 0.00 177.10 175.95 2wpg n GLY 448 N -0.96 4.45 3.85 0.66 0.00 -1.26 -0.78 105.19 111.14 2wpg n GLY 448 Ca -0.01 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 2wpg n GLY 448 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2wpg s MET 449 N -3.38 3.97 0.25 1.61 -1.94 -1.26 -4.77 119.30 113.77 2wpg s MET 449 Ca 0.00 0.84 -0.06 0.00 -1.71 0.00 0.00 55.69 54.76 2wpg s MET 449 Cb 0.00 -2.24 0.46 0.00 2.01 0.00 0.00 34.83 35.06 2wpg s MET 449 CO 0.00 -0.12 1.65 0.77 -0.01 0.00 0.00 175.02 177.31 2wpg h SER 450 N 1.33 -0.22 -0.88 3.03 0.02 -1.97 -0.60 113.55 114.27 2wpg h SER 450 Ca -0.47 0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 2wpg h SER 450 Cb 1.18 0.29 -0.04 0.00 0.14 0.00 0.00 62.40 63.98 2wpg h SER 450 CO 0.62 -0.14 0.46 0.00 -1.14 0.00 0.00 176.83 176.64 2wpg h ALA 451 N 1.68 1.13 -0.04 3.77 0.00 -1.88 -0.55 119.26 123.37 2wpg h ALA 451 Ca 0.42 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 2wpg h ALA 451 Cb 0.74 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2wpg h ALA 451 CO -0.61 0.66 -0.58 0.00 0.00 0.00 0.00 179.25 178.71 2wpg h ALA 452 N 1.25 0.95 -0.06 0.00 0.00 -1.53 -1.26 119.26 118.61 2wpg h ALA 452 Ca 0.31 -0.53 -0.18 0.00 0.00 0.00 0.00 54.91 54.51 2wpg h ALA 452 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2wpg h ALA 452 CO -0.05 0.72 -0.72 -0.07 0.00 0.00 0.00 179.25 179.13 2wpg h LEU 453 N 0.10 0.39 -0.52 0.00 3.38 -0.31 0.98 115.31 119.34 2wpg h LEU 453 Ca -0.00 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2wpg h LEU 453 Cb 1.05 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2wpg h LEU 453 CO 0.08 0.98 -0.26 1.33 0.09 0.00 0.00 178.44 180.67 2wpg n VAL 454 N -3.82 0.00 0.00 1.22 0.24 -0.29 -4.25 118.33 111.43 2wpg n VAL 454 Ca -0.04 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2wpg n VAL 454 Cb 0.70 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 2wpg n VAL 454 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wpg n GLY 455 N 1.34 1.16 0.08 7.63 0.00 -1.15 -4.37 105.19 109.87 2wpg n GLY 455 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 2wpg n GLY 455 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2wpg h VAL 456 N 0.00 1.23 -0.15 1.61 2.07 -1.47 -0.40 116.25 119.14 2wpg h VAL 456 Ca 0.00 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 66.85 2wpg h VAL 456 Cb 0.00 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2wpg h VAL 456 CO 0.00 0.19 -0.04 -0.61 0.02 0.00 0.00 177.57 177.14 2wpg h GLN 457 N -0.14 0.00 -0.86 1.57 4.15 -1.83 -1.07 115.11 116.94 2wpg h GLN 457 Ca 0.02 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 2wpg h GLN 457 Cb 0.30 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.95 2wpg h GLN 457 CO 0.00 0.00 0.46 0.00 -1.93 0.00 0.00 178.83 177.36 2wpg h ALA 458 N 1.15 1.11 -0.94 3.38 0.00 -1.73 0.48 119.26 122.71 2wpg h ALA 458 Ca 0.07 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.86 2wpg h ALA 458 Cb 0.11 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 2wpg h ALA 458 CO -0.16 0.63 0.62 0.00 0.00 0.00 0.00 179.25 180.35 2wpg h ALA 459 N 1.25 1.20 -0.04 0.00 0.00 -0.67 -1.99 119.26 119.00 2wpg h ALA 459 Ca 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2wpg h ALA 459 Cb 0.05 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 2wpg h ALA 459 CO -0.05 0.59 0.00 0.45 0.00 0.00 0.00 179.25 180.24 2wpg h HIS 460 N 1.27 0.07 -1.02 0.00 -0.00 -0.60 0.12 115.15 115.00 2wpg h HIS 460 Ca 0.35 -0.01 0.27 0.00 -0.00 0.00 0.00 60.37 60.97 2wpg h HIS 460 Cb -0.14 -0.02 -0.07 0.00 -0.00 0.00 0.00 27.41 27.17 2wpg h HIS 460 CO -0.01 0.33 0.69 0.93 -0.00 0.00 0.00 177.93 179.87 2wpg h GLU 461 N -0.21 0.27 -0.54 2.45 5.08 -0.63 0.17 114.58 121.17 2wpg h GLU 461 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wpg h GLU 461 Cb 0.30 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2wpg h GLU 461 CO 0.00 0.18 0.00 0.72 -1.00 0.00 0.00 179.01 178.91 2wpg n HIS 462 N -4.48 0.71 -4.12 4.33 8.25 -0.77 -4.95 115.22 114.18 2wpg n HIS 462 Ca 0.23 -0.35 -0.28 0.00 -0.26 0.00 0.00 57.72 57.06 2wpg n HIS 462 Cb 0.92 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.97 2wpg n HIS 462 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wpg n ALA 463 N 1.50 -2.02 -3.73 -1.41 0.00 0.59 -4.92 120.51 110.52 2wpg n ALA 463 Ca 0.21 -0.34 -0.35 0.00 0.00 0.00 0.00 53.44 52.96 2wpg n ALA 463 Cb 0.60 -1.19 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 2wpg n ALA 463 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2wpg s ASP 464 N -4.37 4.96 0.20 0.00 -1.08 0.36 -4.98 116.67 111.76 2wpg s ASP 464 Ca 0.01 -1.56 -0.04 0.00 -0.52 0.00 0.00 52.55 50.44 2wpg s ASP 464 Cb -0.00 -1.73 0.14 0.00 -1.46 0.00 0.00 42.92 39.86 2wpg s ASP 464 CO 0.94 -0.34 1.55 0.00 0.52 0.00 0.00 175.17 177.84 2wpg h ALA 465 N 7.97 0.76 -0.45 3.66 0.00 -1.91 -1.94 119.26 127.35 2wpg h ALA 465 Ca -0.17 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 2wpg h ALA 465 Cb 1.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2wpg h ALA 465 CO 0.57 0.66 0.00 0.00 0.00 0.00 0.00 179.25 180.49 2wpg h ALA 466 N 1.00 0.60 -0.15 0.00 0.00 -1.97 -2.16 119.26 116.58 2wpg h ALA 466 Ca 0.04 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 2wpg h ALA 466 Cb 0.95 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 2wpg h ALA 466 CO 0.09 0.39 -0.38 0.00 0.00 0.00 0.00 179.25 179.34 2wpg h ALA 467 N 0.91 1.07 -0.56 0.00 0.00 -1.91 -1.76 119.26 117.01 2wpg h ALA 467 Ca 0.13 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2wpg h ALA 467 Cb 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2wpg h ALA 467 CO 0.02 0.59 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 2wpg h ALA 468 N 1.32 0.82 -0.38 0.00 0.00 -1.25 -2.08 119.26 117.70 2wpg h ALA 468 Ca 0.03 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 2wpg h ALA 468 Cb 0.80 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2wpg h ALA 468 CO 0.06 0.67 -0.17 0.00 0.00 0.00 0.00 179.25 179.81 2wpg h ALA 469 N 0.99 0.98 -0.26 0.00 0.00 -1.04 -1.83 119.26 118.10 2wpg h ALA 469 Ca 0.15 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 2wpg h ALA 469 Cb 0.62 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2wpg h ALA 469 CO 0.04 0.60 -0.28 0.00 0.00 0.00 0.00 179.25 179.61 2wpg h ARG 470 N 0.63 0.53 -0.16 0.00 3.08 -1.21 -2.22 114.38 115.04 2wpg h ARG 470 Ca 0.10 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.93 2wpg h ARG 470 Cb 0.65 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2wpg h ARG 470 CO 0.05 0.76 0.09 0.00 -1.07 0.00 0.00 179.97 179.79 2wpg h ALA 471 N 1.24 0.21 -0.66 0.04 0.00 -1.01 -1.86 119.26 117.21 2wpg h ALA 471 Ca 0.06 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2wpg h ALA 471 Cb 0.73 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.39 2wpg h ALA 471 CO 0.06 -0.26 0.31 0.28 0.00 0.00 0.00 179.25 179.64 2wpg h VAL 472 N 0.15 0.84 -0.65 0.00 2.07 -1.24 -0.81 116.25 116.62 2wpg h VAL 472 Ca 0.06 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.48 2wpg h VAL 472 Cb 0.08 0.25 -0.07 0.00 -1.52 0.00 0.00 31.29 30.03 2wpg h VAL 472 CO -0.01 0.10 0.28 0.44 0.02 0.00 0.00 177.57 178.40 2wpg h ASP 473 N 0.54 0.32 -0.62 0.57 3.32 -0.98 -1.33 116.42 118.25 2wpg h ASP 473 Ca 0.32 0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.39 2wpg h ASP 473 Cb 0.34 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 2wpg h ASP 473 CO -0.27 0.18 0.19 0.03 -1.72 0.00 0.00 179.24 177.66 2wpg h ARG 474 N 0.49 0.97 0.05 3.56 3.08 -0.43 -0.97 114.38 121.13 2wpg h ARG 474 Ca 0.33 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 2wpg h ARG 474 Cb 0.38 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2wpg h ARG 474 CO -0.29 0.86 -0.03 1.25 -1.07 0.00 0.00 179.97 180.69 2wpg h LEU 475 N 0.89 -0.06 -1.12 3.04 5.85 -0.65 -1.78 115.31 121.48 2wpg h LEU 475 Ca 0.20 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2wpg h LEU 475 Cb 0.30 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2wpg h LEU 475 CO -0.01 0.00 0.38 0.58 -0.34 0.00 0.00 178.44 179.06 2wpg h VAL 476 N -0.12 1.22 -0.46 1.05 2.07 -1.20 -2.10 116.25 116.70 2wpg h VAL 476 Ca -0.01 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 2wpg h VAL 476 Cb 0.10 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 2wpg h VAL 476 CO 0.01 0.24 0.27 0.25 0.02 0.00 0.00 177.57 178.37 2wpg h LEU 477 N 1.00 0.56 -0.62 2.57 5.85 -0.88 0.79 115.31 124.59 2wpg h LEU 477 Ca 0.25 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 2wpg h LEU 477 Cb 0.04 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 2wpg h LEU 477 CO -0.04 0.46 0.19 -0.07 -0.34 0.00 0.00 178.44 178.64 2wpg h LEU 478 N 0.61 0.90 -0.59 2.25 3.38 -0.93 -2.73 115.31 118.20 2wpg h LEU 478 Ca 0.16 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 2wpg h LEU 478 Cb 0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2wpg h LEU 478 CO -0.03 0.87 -0.28 1.88 0.09 0.00 0.00 178.44 180.97 2wpg h TYR 479 N 0.88 0.94 -0.64 1.13 0.05 -1.16 -2.95 116.97 115.23 2wpg h TYR 479 Ca 0.20 -0.24 0.12 0.00 0.05 0.00 0.00 58.73 58.86 2wpg h TYR 479 Cb 0.30 -0.22 -0.09 0.00 1.01 0.00 0.00 36.73 37.73 2wpg h TYR 479 CO 0.02 1.00 0.17 0.00 -1.05 0.00 0.00 178.16 178.29 2wpg h ALA 480 N 0.98 0.79 -0.14 3.88 0.00 -0.64 0.36 119.26 124.50 2wpg h ALA 480 Ca 0.08 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2wpg h ALA 480 Cb 0.82 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2wpg h ALA 480 CO 0.07 -0.28 -0.07 0.28 0.00 0.00 0.00 179.25 179.24 2wpg h VAL 481 N 0.30 0.77 -0.69 0.00 2.07 -1.32 -2.53 116.25 114.86 2wpg h VAL 481 Ca 0.34 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.92 2wpg h VAL 481 Cb 0.51 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 2wpg h VAL 481 CO -0.41 0.00 0.38 0.28 0.02 0.00 0.00 177.57 177.85 2wpg h SER 482 N -0.06 0.57 0.66 0.57 0.02 -1.30 -2.79 113.55 111.23 2wpg h SER 482 Ca 0.08 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2wpg h SER 482 Cb 0.18 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.64 2wpg h SER 482 CO -0.18 0.36 0.00 -0.07 -1.14 0.00 0.00 176.83 175.81 2wpg h LEU 483 N 0.70 0.00 -0.39 5.07 3.38 -0.55 -2.22 115.31 121.31 2wpg h LEU 483 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 2wpg h LEU 483 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2wpg h LEU 483 CO -0.19 0.00 -0.19 0.00 0.09 0.00 0.00 178.44 178.15 2wpg n ALA 484 N -2.08 2.93 -1.90 1.53 0.00 -0.99 -4.95 120.51 115.05 2wpg n ALA 484 Ca -0.01 -0.35 -0.32 0.00 0.00 0.00 0.00 53.44 52.77 2wpg n ALA 484 Cb 0.22 -1.22 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 2wpg n ALA 484 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2wpg s MET 485 N -2.49 3.88 -0.54 0.00 -1.94 -0.83 -4.95 119.30 112.43 2wpg s MET 485 Ca 0.26 0.86 -0.28 0.00 -1.71 0.00 0.00 55.69 54.82 2wpg s MET 485 Cb 0.20 -2.17 0.02 0.00 2.01 0.00 0.00 34.83 34.89 2wpg s MET 485 CO 0.50 -0.27 1.30 -1.25 -0.01 0.00 0.00 175.02 175.29 2wpg s PRO 486 N -4.18 3.46 0.00 2.03 0.04 -1.26 -4.78 135.00 130.31 2wpg s PRO 486 Ca 0.57 0.44 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2wpg s PRO 486 Cb -0.10 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.39 2wpg s PRO 486 CO 0.34 -1.74 0.00 0.41 0.04 0.00 0.00 177.00 176.05 2wpg n GLY 487 N 5.12 0.29 3.13 0.56 0.00 -1.26 -1.95 105.19 111.08 2wpg n GLY 487 Ca 0.11 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.92 2wpg n GLY 487 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wpg s VAL 488 N -1.28 2.76 0.10 1.61 1.01 0.04 -4.71 120.40 119.91 2wpg s VAL 488 Ca 0.00 -1.60 -0.30 0.00 0.00 0.00 0.00 61.98 60.08 2wpg s VAL 488 Cb 0.00 -2.67 -0.06 0.00 0.00 0.00 0.00 36.38 33.66 2wpg s VAL 488 CO 0.00 -0.19 1.05 -2.16 0.00 0.00 0.00 175.10 173.80 2wpg s PRO 489 N 1.17 4.59 -0.26 2.72 0.05 -1.26 -1.49 135.00 140.52 2wpg s PRO 489 Ca -0.03 1.58 0.00 0.00 0.05 0.00 0.00 61.00 62.60 2wpg s PRO 489 Cb -0.20 -3.36 0.04 0.00 0.05 0.00 0.00 34.50 31.03 2wpg s PRO 489 CO -0.03 0.03 -0.07 -1.17 0.05 0.00 0.00 177.00 175.81 2wpg s LEU 490 N 0.30 3.43 -0.09 -3.56 2.96 0.13 0.10 118.68 121.95 2wpg s LEU 490 Ca 0.51 -1.16 -0.28 0.00 -0.22 0.00 0.00 54.13 52.98 2wpg s LEU 490 Cb -0.26 -1.63 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 2wpg s LEU 490 CO 0.31 -0.18 0.92 -0.63 -1.32 0.00 0.00 176.35 175.45 2wpg s ILE 491 N 1.23 4.86 0.10 6.68 1.01 -0.04 -4.32 121.20 130.72 2wpg s ILE 491 Ca -0.04 1.88 -0.30 0.00 0.00 0.00 0.00 60.65 62.19 2wpg s ILE 491 Cb -0.18 -4.24 -0.06 0.00 0.01 0.00 0.00 42.46 37.99 2wpg s ILE 491 CO -0.04 0.08 0.99 -0.47 0.00 0.00 0.00 174.94 175.50 2wpg s TYR 492 N 1.61 3.75 -0.27 3.97 5.04 -1.26 -1.14 117.35 129.06 2wpg s TYR 492 Ca 0.46 1.75 -0.40 0.00 -2.44 0.00 0.00 57.07 56.43 2wpg s TYR 492 Cb -0.19 -3.10 -0.16 0.00 0.35 0.00 0.00 41.96 38.86 2wpg s TYR 492 CO 0.19 0.03 1.69 -0.12 -1.34 0.00 0.00 175.55 176.00 2wpg n MET 493 N 2.90 1.04 0.00 4.97 0.00 -0.48 -1.28 117.12 124.28 2wpg n MET 493 Ca 0.03 0.38 0.00 0.00 0.00 0.00 0.00 57.70 58.11 2wpg n MET 493 Cb 0.49 -2.04 0.00 0.00 0.00 0.00 0.00 33.22 31.66 2wpg n MET 493 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wpg n GLY 494 N 4.02 2.05 0.28 -5.12 0.00 -1.26 -4.89 105.19 100.26 2wpg n GLY 494 Ca 0.26 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.36 2wpg n GLY 494 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wpg h ASP 495 N 0.00 0.12 0.28 1.61 5.19 -1.52 -0.15 116.42 121.95 2wpg h ASP 495 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2wpg h ASP 495 Cb 0.00 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.48 2wpg h ASP 495 CO 0.00 0.09 0.00 -1.84 -3.12 0.00 0.00 179.24 174.37 2wpg n GLU 496 N -4.52 0.05 0.00 3.56 0.00 -1.26 -1.44 120.64 117.03 2wpg n GLU 496 Ca -0.01 0.28 0.00 0.00 0.00 0.00 0.00 57.16 57.44 2wpg n GLU 496 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.05 2wpg n GLU 496 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2wpg n LEU 497 N -1.42 1.28 -3.64 -1.84 4.77 -0.46 -2.35 117.00 113.35 2wpg n LEU 497 Ca 0.03 -1.28 -0.22 0.00 -0.03 0.00 0.00 56.01 54.51 2wpg n LEU 497 Cb 0.10 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 2wpg n LEU 497 CO 0.08 0.32 0.10 0.00 -1.33 0.00 0.00 177.39 176.56 2wpg n ALA 498 N -0.23 -1.69 -1.75 -1.18 0.00 -0.52 -4.08 120.51 111.06 2wpg n ALA 498 Ca 0.00 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 2wpg n ALA 498 Cb 0.18 -3.50 -0.01 0.00 0.00 0.00 0.00 19.45 16.12 2wpg n ALA 498 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wpg n LEU 499 N -4.50 4.45 -4.93 0.00 4.77 -0.19 -4.82 117.00 111.77 2wpg n LEU 499 Ca -0.15 1.19 -0.26 0.00 -0.03 0.00 0.00 56.01 56.76 2wpg n LEU 499 Cb 0.62 -1.59 0.07 0.00 -2.33 0.00 0.00 43.42 40.19 2wpg n LEU 499 CO 0.67 0.09 0.63 -2.16 -1.33 0.00 0.00 177.39 175.29 2wpg s PRO 500 N -1.33 2.15 0.78 3.23 0.04 -1.26 -4.42 135.00 134.18 2wpg s PRO 500 Ca 0.59 -0.25 -0.15 0.00 0.04 0.00 0.00 61.00 61.22 2wpg s PRO 500 Cb -0.50 -2.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.89 2wpg s PRO 500 CO 0.57 -1.29 0.65 0.09 0.04 0.00 0.00 177.00 177.06 2wpg n ASN 501 N -2.96 -0.84 -4.13 6.66 3.02 -1.26 -4.86 115.26 110.89 2wpg n ASN 501 Ca 0.08 0.55 -0.33 0.00 -0.03 0.00 0.00 54.58 54.85 2wpg n ASN 501 Cb 0.60 -1.28 -0.15 0.00 -0.61 0.00 0.00 39.78 38.35 2wpg n ASN 501 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2wpg s ASP 502 N -1.68 4.08 0.00 6.41 2.15 0.16 -4.99 116.67 122.80 2wpg s ASP 502 Ca 0.66 -1.01 0.23 0.00 0.43 0.00 0.00 52.55 52.86 2wpg s ASP 502 Cb -0.32 -1.58 0.06 0.00 -0.30 0.00 0.00 42.92 40.79 2wpg s ASP 502 CO 0.58 -0.12 1.15 0.35 -0.17 0.00 0.00 175.17 176.95 2wpg n THR 503 N 4.57 0.00 0.29 1.71 -2.24 -1.26 -3.99 114.28 113.37 2wpg n THR 503 Ca -0.17 -0.33 0.18 0.00 -2.27 0.00 0.00 64.05 61.46 2wpg n THR 503 Cb 0.46 1.32 0.99 0.00 -2.10 0.00 0.00 70.33 71.00 2wpg n THR 503 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wpg h ALA 504 N 4.14 1.41 0.00 6.98 0.00 -1.95 -2.35 119.26 127.49 2wpg h ALA 504 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2wpg h ALA 504 Cb 0.83 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 2wpg h ALA 504 CO 0.00 -0.10 -0.08 0.10 0.00 0.00 0.00 179.25 179.17 2wpg h TYR 505 N 0.00 0.00 0.00 0.00 -0.00 -1.92 -1.89 116.97 113.16 2wpg h TYR 505 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.74 2wpg h TYR 505 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 36.90 2wpg h TYR 505 CO 0.00 0.08 -0.07 -0.07 -0.00 0.00 0.00 178.16 178.10 2wpg h LEU 506 N 0.00 0.00 -1.97 0.10 3.38 -1.76 -1.75 115.31 113.32 2wpg h LEU 506 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wpg h LEU 506 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2wpg h LEU 506 CO 0.01 0.07 0.00 0.47 0.09 0.00 0.00 178.44 179.08 2wpg n ASP 507 N -3.75 2.92 -4.30 -0.43 8.00 -0.71 -4.77 116.55 113.51 2wpg n ASP 507 Ca -0.02 -1.93 -0.38 0.00 0.71 0.00 0.00 54.79 53.16 2wpg n ASP 507 Cb 0.17 -0.26 -0.12 0.00 -0.02 0.00 0.00 41.12 40.89 2wpg n ASP 507 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wpg s ASP 508 N -1.34 5.41 0.44 -2.24 -1.08 -0.67 -4.97 116.67 112.22 2wpg s ASP 508 Ca 0.37 -1.09 0.20 0.00 -0.52 0.00 0.00 52.55 51.52 2wpg s ASP 508 Cb 0.21 -1.91 1.16 0.00 -1.46 0.00 0.00 42.92 40.92 2wpg s ASP 508 CO 0.29 -0.34 1.87 0.00 0.52 0.00 0.00 175.17 177.51 2wpg h ALA 509 N 8.27 2.32 0.00 3.66 0.00 -1.87 0.13 119.26 131.78 2wpg h ALA 509 Ca -0.24 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 2wpg h ALA 509 Cb 1.09 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2wpg h ALA 509 CO 0.62 -0.60 -0.47 0.37 0.00 0.00 0.00 179.25 179.17 2wpg h GLN 510 N 0.32 0.00 0.00 0.00 4.15 -1.93 -3.38 115.11 114.27 2wpg h GLN 510 Ca 0.45 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.87 2wpg h GLN 510 Cb 1.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2wpg h GLN 510 CO -0.14 0.45 -0.94 0.54 -1.93 0.00 0.00 178.83 176.81 2wpg n ARG 511 N -3.20 2.11 0.29 1.69 1.74 -0.05 -4.66 116.66 114.57 2wpg n ARG 511 Ca 0.02 -0.04 0.15 0.00 -0.77 0.00 0.00 57.85 57.20 2wpg n ARG 511 Cb 0.72 -1.08 0.88 0.00 -1.02 0.00 0.00 32.46 31.96 2wpg n ARG 511 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 2wpg h ARG 512 N 0.00 0.00 0.00 5.56 0.11 -0.69 0.35 114.38 119.72 2wpg h ARG 512 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wpg h ARG 512 Cb 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 2wpg h ARG 512 CO 0.00 0.03 0.00 1.12 0.10 0.00 0.00 179.97 181.22 2wpg h HIS 513 N 0.00 0.00 -3.38 4.08 2.07 -1.84 -3.41 115.15 112.66 2wpg h HIS 513 Ca -0.00 0.00 -0.74 0.00 -2.85 0.00 0.00 60.37 56.78 2wpg h HIS 513 Cb 0.07 0.00 -0.28 0.00 2.57 0.00 0.00 27.41 29.77 2wpg h HIS 513 CO 0.00 0.00 -0.24 -2.00 -3.07 0.00 0.00 177.93 172.62 2wpg s GLU 514 N -3.57 2.85 0.63 5.12 2.56 0.11 -4.95 118.70 121.44 2wpg s GLU 514 Ca 0.02 -1.99 0.41 0.00 0.00 0.00 0.00 54.97 53.41 2wpg s GLU 514 Cb 0.08 -4.10 2.07 0.00 2.00 0.00 0.00 34.13 34.18 2wpg s GLU 514 CO 0.56 -1.25 2.24 0.78 -0.56 0.00 0.00 175.26 177.04 2wpg h GLY 515 N 8.25 0.00 2.00 -1.50 0.00 -1.82 -2.74 103.07 107.26 2wpg h GLY 515 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2wpg h GLY 515 CO 0.87 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.95 2wpg n ARG 516 N -3.10 0.14 0.30 4.80 1.74 -1.26 -1.94 116.66 117.34 2wpg n ARG 516 Ca -0.02 0.44 0.17 0.00 -0.77 0.00 0.00 57.85 57.67 2wpg n ARG 516 Cb 0.15 -1.80 0.92 0.00 -1.02 0.00 0.00 32.46 30.71 2wpg n ARG 516 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 2wpg h TRP 517 N 0.00 0.00 -0.93 -1.55 4.06 -1.84 -2.05 115.95 113.64 2wpg h TRP 517 Ca 0.00 0.00 0.20 0.00 2.06 0.00 0.00 58.89 61.15 2wpg h TRP 517 Cb 0.26 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 28.30 2wpg h TRP 517 CO 0.00 0.04 0.49 1.25 -3.56 0.00 0.00 178.44 176.66 2wpg h LEU 518 N 0.00 0.53 -3.57 -4.49 5.85 -1.52 -2.00 115.31 110.11 2wpg h LEU 518 Ca -0.00 0.13 -0.35 0.00 0.84 0.00 0.00 57.88 58.50 2wpg h LEU 518 Cb 0.15 0.05 -0.21 0.00 0.37 0.00 0.00 40.66 41.02 2wpg h LEU 518 CO 0.01 0.12 -0.00 0.00 -0.34 0.00 0.00 178.44 178.22 2wpg n HIS 519 N -4.92 1.86 -2.91 1.25 1.44 -0.77 -0.67 115.22 110.50 2wpg n HIS 519 Ca 0.22 -1.94 -0.23 0.00 -2.01 0.00 0.00 57.72 53.77 2wpg n HIS 519 Cb 0.61 -0.65 -0.02 0.00 0.12 0.00 0.00 29.99 30.05 2wpg n HIS 519 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 2wpg n ARG 520 N -1.03 2.40 -1.59 -1.40 1.74 -0.75 -4.85 116.66 111.18 2wpg n ARG 520 Ca 0.42 -4.22 -0.31 0.00 -0.77 0.00 0.00 57.85 52.97 2wpg n ARG 520 Cb 1.04 -1.99 0.05 0.00 -1.02 0.00 0.00 32.46 30.54 2wpg n ARG 520 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2wpg s PRO 521 N -3.15 2.97 0.49 5.56 0.04 -1.26 -4.99 135.00 134.67 2wpg s PRO 521 Ca 0.44 0.95 -0.21 0.00 0.04 0.00 0.00 61.00 62.22 2wpg s PRO 521 Cb 0.34 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.81 2wpg s PRO 521 CO -0.11 -1.07 1.11 0.00 0.04 0.00 0.00 177.00 176.97 2wpg s ALA 522 N -3.04 2.86 0.15 8.56 0.00 -1.26 -4.84 121.76 124.19 2wpg s ALA 522 Ca 0.58 0.80 -0.31 0.00 0.00 0.00 0.00 51.96 53.03 2wpg s ALA 522 Cb -0.14 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.55 2wpg s ALA 522 CO 0.55 -0.58 1.52 1.41 0.00 0.00 0.00 175.76 178.66 2wpg s MET 523 N -3.00 4.24 -0.57 0.00 1.75 0.15 -4.96 119.30 116.91 2wpg s MET 523 Ca 0.67 2.29 -0.18 0.00 -1.25 0.00 0.00 55.69 57.22 2wpg s MET 523 Cb -0.24 -3.18 0.10 0.00 2.84 0.00 0.00 34.83 34.36 2wpg s MET 523 CO 0.28 -0.56 0.65 0.00 -0.65 0.00 0.00 175.02 174.73 2wpg s ALA 524 N 1.13 3.47 -0.33 4.11 0.00 -1.26 -4.92 121.76 123.95 2wpg s ALA 524 Ca 0.69 -2.25 0.27 0.00 0.00 0.00 0.00 51.96 50.66 2wpg s ALA 524 Cb -0.42 -3.45 1.07 0.00 0.00 0.00 0.00 23.12 20.32 2wpg s ALA 524 CO 0.31 -2.24 1.79 -1.49 0.00 0.00 0.00 175.76 174.14 2wpg h TRP 525 N 9.10 0.00 0.00 0.00 4.06 -1.96 -2.03 115.95 125.12 2wpg h TRP 525 Ca -0.29 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.51 2wpg h TRP 525 Cb 1.09 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.23 2wpg h TRP 525 CO 0.80 0.00 -0.70 1.05 -3.56 0.00 0.00 178.44 176.03 2wpg h GLU 526 N 0.00 0.00 0.06 0.49 9.09 -1.99 -2.06 114.58 120.16 2wpg h GLU 526 Ca 0.00 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 59.16 2wpg h GLU 526 Cb 0.45 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.56 2wpg h GLU 526 CO 0.00 0.70 -1.08 -0.07 0.05 0.00 0.00 179.01 178.61 2wpg h LEU 527 N 0.00 0.59 -1.84 3.06 3.38 -1.81 -3.16 115.31 115.54 2wpg h LEU 527 Ca -0.01 -0.53 0.02 0.00 0.09 0.00 0.00 57.88 57.46 2wpg h LEU 527 Cb 1.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2wpg h LEU 527 CO 0.09 1.35 0.16 0.00 0.09 0.00 0.00 178.44 180.13 2wpg h ALA 528 N 0.60 1.95 0.00 1.53 0.00 -1.31 -1.22 119.26 120.82 2wpg h ALA 528 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wpg h ALA 528 Cb 1.75 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2wpg h ALA 528 CO 0.19 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.46 2wpg n ALA 529 N -2.53 1.72 0.54 0.00 0.00 -0.79 -2.46 120.51 117.00 2wpg n ALA 529 Ca 0.01 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.60 2wpg n ALA 529 Cb 0.15 -1.35 0.25 0.00 0.00 0.00 0.00 19.45 18.49 2wpg n ALA 529 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wpg n GLN 530 N -2.01 2.33 0.13 0.00 6.02 -0.46 -4.60 117.38 118.79 2wpg n GLN 530 Ca 0.03 -2.01 0.11 0.00 -0.01 0.00 0.00 57.00 55.12 2wpg n GLN 530 Cb 0.23 -1.49 0.50 0.00 1.02 0.00 0.00 30.24 30.51 2wpg n GLN 530 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2wpg n ARG 531 N 1.23 0.16 -0.05 -1.09 1.85 -1.03 -1.04 116.66 116.69 2wpg n ARG 531 Ca 0.18 0.50 0.09 0.00 -1.00 0.00 0.00 57.85 57.62 2wpg n ARG 531 Cb 0.55 -1.88 0.10 0.00 -1.05 0.00 0.00 32.46 30.18 2wpg n ARG 531 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2wpg n HIS 532 N -2.19 0.13 -2.98 2.89 8.25 -1.26 -4.28 115.22 115.78 2wpg n HIS 532 Ca 0.01 -0.09 -0.44 0.00 -0.26 0.00 0.00 57.72 56.94 2wpg n HIS 532 Cb 0.15 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.21 2wpg n HIS 532 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2wpg s ASP 533 N -1.36 6.21 0.29 0.41 -1.08 -0.20 -4.91 116.67 116.03 2wpg s ASP 533 Ca 0.23 -0.97 0.20 0.00 -0.52 0.00 0.00 52.55 51.49 2wpg s ASP 533 Cb 0.15 -2.36 1.07 0.00 -1.46 0.00 0.00 42.92 40.32 2wpg s ASP 533 CO 0.22 -1.20 1.62 0.00 0.52 0.00 0.00 175.17 176.33 2wpg n ALA 534 N 6.99 1.11 0.83 3.66 0.00 -1.26 -1.48 120.51 130.36 2wpg n ALA 534 Ca -0.05 0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.67 2wpg n ALA 534 Cb 0.45 -1.30 0.29 0.00 0.00 0.00 0.00 19.45 18.89 2wpg n ALA 534 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wpg n SER 535 N -2.20 2.42 -4.65 0.00 3.41 -1.26 -4.42 113.62 106.92 2wpg n SER 535 Ca -0.01 -1.85 -0.23 0.00 -0.26 0.00 0.00 58.87 56.52 2wpg n SER 535 Cb 0.05 -0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 63.75 2wpg n SER 535 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2wpg s THR 536 N -1.65 3.07 0.05 6.66 -4.23 -0.55 -5.03 115.64 113.95 2wpg s THR 536 Ca 0.34 -1.90 -0.26 0.00 -1.18 0.00 0.00 61.69 58.69 2wpg s THR 536 Cb 0.19 -2.83 -0.17 0.00 1.34 0.00 0.00 72.50 71.03 2wpg s THR 536 CO 0.28 -0.28 1.52 0.25 -0.54 0.00 0.00 174.62 175.85 2wpg h LEU 537 N 1.80 -0.19 -0.74 4.79 5.85 -1.90 -0.89 115.31 124.04 2wpg h LEU 537 Ca -0.43 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.26 2wpg h LEU 537 Cb 1.25 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.25 2wpg h LEU 537 CO 0.63 0.02 0.37 0.00 -0.34 0.00 0.00 178.44 179.11 2wpg h ALA 538 N 0.41 1.03 -0.29 1.25 0.00 -1.87 -1.85 119.26 117.95 2wpg h ALA 538 Ca -0.02 0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2wpg h ALA 538 Cb 0.31 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2wpg h ALA 538 CO 0.04 -0.05 -0.47 0.78 0.00 0.00 0.00 179.25 179.54 2wpg h GLY 539 N 0.61 0.84 0.85 0.00 0.00 -1.49 -1.37 103.07 102.51 2wpg h GLY 539 Ca 0.37 -0.92 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 2wpg h GLY 539 CO -0.29 0.83 0.05 -0.84 0.00 0.00 0.00 176.54 176.29 2wpg h THR 540 N 0.61 1.19 0.14 4.70 2.02 -0.80 -1.53 112.91 119.25 2wpg h THR 540 Ca 0.03 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 2wpg h THR 540 Cb 1.05 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.73 2wpg h THR 540 CO 0.10 0.18 -0.07 0.58 0.37 0.00 0.00 175.52 176.69 2wpg h VAL 541 N 0.09 0.96 -0.47 3.16 2.07 -1.33 -2.47 116.25 118.27 2wpg h VAL 541 Ca 0.05 -0.44 0.04 0.00 0.82 0.00 0.00 66.70 67.17 2wpg h VAL 541 Cb 0.24 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2wpg h VAL 541 CO -0.00 0.11 0.23 0.22 0.02 0.00 0.00 177.57 178.15 2wpg h TYR 542 N -0.40 0.43 -0.74 1.57 3.20 -0.85 -1.26 116.97 118.92 2wpg h TYR 542 Ca -0.02 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2wpg h TYR 542 Cb 0.32 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 2wpg h TYR 542 CO -0.00 0.21 0.29 1.15 -1.64 0.00 0.00 178.16 178.17 2wpg h THR 543 N 0.46 1.25 -0.22 1.81 2.02 -1.27 -0.59 112.91 116.37 2wpg h THR 543 Ca 0.20 -0.79 -0.18 0.00 0.77 0.00 0.00 66.41 66.41 2wpg h THR 543 Cb 0.11 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2wpg h THR 543 CO -0.14 0.32 -0.58 0.03 0.37 0.00 0.00 175.52 175.52 2wpg h ARG 544 N 1.07 0.69 -0.46 6.66 3.08 -1.01 -2.20 114.38 122.21 2wpg h ARG 544 Ca 0.25 -0.45 -0.06 0.00 0.07 0.00 0.00 59.98 59.78 2wpg h ARG 544 Cb 0.21 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 2wpg h ARG 544 CO -0.02 1.07 0.04 -0.07 -1.07 0.00 0.00 179.97 179.92 2wpg h LEU 545 N 0.52 0.76 -1.31 3.04 3.38 -1.08 -2.99 115.31 117.63 2wpg h LEU 545 Ca 0.00 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.73 2wpg h LEU 545 Cb 1.16 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 2wpg h LEU 545 CO 0.12 0.86 0.50 0.03 0.09 0.00 0.00 178.44 180.03 2wpg h ARG 546 N 0.64 0.86 -0.35 1.13 2.47 -0.97 -0.49 114.38 117.67 2wpg h ARG 546 Ca 0.14 -0.05 0.03 0.00 -1.26 0.00 0.00 59.98 58.83 2wpg h ARG 546 Cb 0.44 -0.19 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 2wpg h ARG 546 CO 0.02 0.57 0.17 0.00 0.56 0.00 0.00 179.97 181.29 2wpg h ALA 547 N 1.57 0.43 -0.40 0.04 0.00 -1.26 0.54 119.26 120.18 2wpg h ALA 547 Ca 0.31 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 2wpg h ALA 547 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2wpg h ALA 547 CO -0.10 -0.20 -0.15 -0.07 0.00 0.00 0.00 179.25 178.73 2wpg h LEU 548 N 0.36 0.83 -0.60 0.00 3.38 -1.26 -2.38 115.31 115.64 2wpg h LEU 548 Ca 0.15 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2wpg h LEU 548 Cb 0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2wpg h LEU 548 CO -0.11 1.03 0.31 0.40 0.09 0.00 0.00 178.44 180.17 2wpg h ILE 549 N 0.63 1.20 -0.43 1.22 2.04 -0.87 0.11 117.51 121.41 2wpg h ILE 549 Ca 0.10 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 2wpg h ILE 549 Cb 0.70 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2wpg h ILE 549 CO 0.05 0.23 0.26 -0.09 0.00 0.00 0.00 178.15 178.60 2wpg h ARG 550 N 0.82 0.58 -0.25 2.37 2.43 -0.87 -1.35 114.38 118.10 2wpg h ARG 550 Ca 0.21 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2wpg h ARG 550 Cb 0.08 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2wpg h ARG 550 CO -0.03 0.42 0.09 -0.07 -1.51 0.00 0.00 179.97 178.87 2wpg h LEU 551 N 0.57 0.36 -0.69 3.80 3.38 -1.04 -2.93 115.31 118.76 2wpg h LEU 551 Ca 0.15 -0.18 0.12 0.00 0.09 0.00 0.00 57.88 58.07 2wpg h LEU 551 Cb -0.01 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.55 2wpg h LEU 551 CO -0.03 0.44 0.25 -0.09 0.09 0.00 0.00 178.44 179.10 2wpg h ARG 552 N 0.25 0.39 0.00 1.13 2.43 -0.56 -1.15 114.38 116.87 2wpg h ARG 552 Ca 0.08 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 2wpg h ARG 552 Cb 0.20 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2wpg h ARG 552 CO -0.01 0.26 -0.09 0.00 -1.51 0.00 0.00 179.97 178.62 2wpg h ALA 553 N 1.50 1.55 -0.55 2.80 0.00 -1.07 -2.26 119.26 121.24 2wpg h ALA 553 Ca 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2wpg h ALA 553 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2wpg h ALA 553 CO -0.38 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.39 2wpg n GLY 554 N -1.05 1.74 3.07 0.00 0.00 -0.45 -4.46 105.19 104.04 2wpg n GLY 554 Ca -0.02 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 2wpg n GLY 554 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wpg s LEU 555 N -1.11 5.04 0.60 0.99 1.43 -0.85 -4.95 118.68 119.83 2wpg s LEU 555 Ca 0.40 -2.24 0.29 0.00 -1.03 0.00 0.00 54.13 51.56 2wpg s LEU 555 Cb 0.21 -1.76 1.61 0.00 0.03 0.00 0.00 46.19 46.29 2wpg s LEU 555 CO 0.28 -0.45 2.01 -0.65 0.23 0.00 0.00 176.35 177.77 2wpg h PRO 556 N 7.69 0.00 0.00 1.29 0.11 -1.87 -1.42 132.00 137.80 2wpg h PRO 556 Ca -0.09 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 2wpg h PRO 556 Cb 1.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2wpg h PRO 556 CO 0.65 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.42 2wpg h ALA 557 N 1.61 1.10 -0.00 -0.75 0.00 -1.92 -2.49 119.26 116.81 2wpg h ALA 557 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wpg h ALA 557 Cb 0.75 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2wpg h ALA 557 CO -0.00 0.02 -0.45 1.28 0.00 0.00 0.00 179.25 180.10 2wpg n LEU 558 N -3.26 0.56 -4.64 0.00 4.32 -0.53 -4.09 117.00 109.36 2wpg n LEU 558 Ca -0.02 -0.03 -0.36 0.00 -0.02 0.00 0.00 56.01 55.58 2wpg n LEU 558 Cb 0.15 -0.24 0.08 0.00 -1.62 0.00 0.00 43.42 41.79 2wpg n LEU 558 CO 0.24 0.13 0.63 0.00 -1.22 0.00 0.00 177.39 177.17 2wpg n ALA 559 N -1.37 0.15 0.31 -1.18 0.00 -0.94 -4.40 120.51 113.08 2wpg n ALA 559 Ca 0.07 -0.12 0.15 0.00 0.00 0.00 0.00 53.44 53.53 2wpg n ALA 559 Cb 0.34 -2.17 0.66 0.00 0.00 0.00 0.00 19.45 18.28 2wpg n ALA 559 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wpg h ALA 560 N 0.00 1.00 0.00 0.00 0.00 -1.34 -1.77 119.26 117.15 2wpg h ALA 560 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2wpg h ALA 560 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2wpg h ALA 560 CO 0.49 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.99 2wpg n THR 561 N -2.56 0.71 -3.70 0.00 -2.24 -1.26 -4.85 114.28 100.37 2wpg n THR 561 Ca 0.00 0.01 -0.30 0.00 -2.27 0.00 0.00 64.05 61.49 2wpg n THR 561 Cb 0.18 -0.89 -0.04 0.00 -2.10 0.00 0.00 70.33 67.48 2wpg n THR 561 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2wpg s GLN 562 N -3.20 3.57 0.89 -0.78 -1.52 -0.67 -5.06 119.66 112.89 2wpg s GLN 562 Ca 0.07 -0.20 -0.10 0.00 -1.95 0.00 0.00 55.36 53.18 2wpg s GLN 562 Cb 0.11 -2.86 0.13 0.00 -0.22 0.00 0.00 33.01 30.17 2wpg s GLN 562 CO 0.48 0.46 1.13 -1.54 -0.25 0.00 0.00 175.29 175.57 2wpg s SER 563 N -2.66 3.22 -0.11 5.90 1.04 -1.26 -4.65 113.70 115.18 2wpg s SER 563 Ca 0.40 2.08 0.01 0.00 0.48 0.00 0.00 55.95 58.92 2wpg s SER 563 Cb -0.12 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.47 2wpg s SER 563 CO 0.26 -2.90 -0.12 -0.22 0.98 0.00 0.00 173.24 171.25 2wpg s LEU 564 N -6.47 1.51 0.14 2.42 2.96 -1.26 -1.59 118.68 116.38 2wpg s LEU 564 Ca 0.65 -0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 54.20 2wpg s LEU 564 Cb -0.21 -0.95 -0.04 0.00 0.50 0.00 0.00 46.19 45.48 2wpg s LEU 564 CO 0.58 -0.04 0.04 -0.83 -1.32 0.00 0.00 176.35 174.78 2wpg s GLY 565 N 1.24 1.01 0.18 7.98 0.00 -0.70 -4.99 107.32 112.04 2wpg s GLY 565 Ca -0.03 -1.48 0.10 0.00 0.00 0.00 0.00 44.72 43.31 2wpg s GLY 565 CO -0.04 -1.40 -0.18 -1.35 0.00 0.00 0.00 173.10 170.13 2wpg s SER 566 N -3.07 3.77 -0.24 1.64 1.04 -1.26 -0.61 113.70 114.98 2wpg s SER 566 Ca 0.23 -0.73 0.02 0.00 0.48 0.00 0.00 55.95 55.95 2wpg s SER 566 Cb 0.07 -0.45 0.05 0.00 0.10 0.00 0.00 66.02 65.79 2wpg s SER 566 CO 0.01 0.12 -0.11 -0.69 0.98 0.00 0.00 173.24 173.55 2wpg s VAL 567 N -1.61 2.01 0.18 5.02 1.01 -0.29 -4.89 120.40 121.83 2wpg s VAL 567 Ca 0.22 -1.42 -0.32 0.00 0.00 0.00 0.00 61.98 60.46 2wpg s VAL 567 Cb -0.09 -2.09 -0.10 0.00 0.00 0.00 0.00 36.38 34.10 2wpg s VAL 567 CO 0.12 0.06 1.60 0.00 0.00 0.00 0.00 175.10 176.88 2wpg s ALA 568 N 1.20 3.81 0.18 5.51 0.00 -1.26 -4.10 121.76 127.11 2wpg s ALA 568 Ca -0.06 1.42 0.10 0.00 0.00 0.00 0.00 51.96 53.43 2wpg s ALA 568 Cb -0.18 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 2wpg s ALA 568 CO -0.07 -0.81 -0.18 -0.51 0.00 0.00 0.00 175.76 174.19 2wpg s LEU 569 N 1.11 2.64 0.56 0.00 1.43 -1.26 -5.04 118.68 118.12 2wpg s LEU 569 Ca 0.71 -0.75 0.30 0.00 -1.03 0.00 0.00 54.13 53.36 2wpg s LEU 569 Cb -0.45 -1.37 1.66 0.00 0.03 0.00 0.00 46.19 46.06 2wpg s LEU 569 CO 0.32 0.12 2.15 1.23 0.23 0.00 0.00 176.35 180.40 2wpg h GLY 570 N 3.12 0.00 -6.64 -3.19 0.00 -1.98 -3.42 103.07 90.97 2wpg h GLY 570 Ca -0.47 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.24 2wpg h GLY 570 CO 0.50 0.00 -0.54 -0.35 0.00 0.00 0.00 176.54 176.15 2wpg s ASP 571 N -6.03 5.85 0.15 0.19 -1.08 -1.26 -4.96 116.67 109.52 2wpg s ASP 571 Ca -0.03 0.08 0.19 0.00 -0.52 0.00 0.00 52.55 52.26 2wpg s ASP 571 Cb 0.13 -2.03 0.80 0.00 -1.46 0.00 0.00 42.92 40.36 2wpg s ASP 571 CO 0.55 0.11 1.57 0.00 0.52 0.00 0.00 175.17 177.93 2wpg n ALA 572 N 3.97 1.58 0.27 3.66 0.00 -1.26 -1.89 120.51 126.84 2wpg n ALA 572 Ca -0.16 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.45 2wpg n ALA 572 Cb 0.52 -1.30 0.30 0.00 0.00 0.00 0.00 19.45 18.97 2wpg n ALA 572 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wpg h ARG 573 N 0.00 0.00 -6.34 0.00 3.08 -1.93 0.23 114.38 109.42 2wpg h ARG 573 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 2wpg h ARG 573 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2wpg h ARG 573 CO 0.00 0.00 -0.32 -0.51 -1.07 0.00 0.00 179.97 178.07 2wpg s LEU 574 N -6.01 4.15 -0.14 3.04 1.43 -0.80 -1.00 118.68 119.36 2wpg s LEU 574 Ca 0.06 0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 53.28 2wpg s LEU 574 Cb 0.07 -3.02 0.06 0.00 0.03 0.00 0.00 46.19 43.33 2wpg s LEU 574 CO 0.63 -0.21 0.31 0.12 0.23 0.00 0.00 176.35 177.43 2wpg s PHE 575 N -2.14 -0.48 -0.06 0.29 5.36 -0.45 -3.53 117.98 116.96 2wpg s PHE 575 Ca 0.38 1.06 0.02 0.00 -0.96 0.00 0.00 56.93 57.43 2wpg s PHE 575 Cb -0.09 0.10 0.01 0.00 -0.34 0.00 0.00 43.02 42.70 2wpg s PHE 575 CO 0.32 -0.33 -0.11 0.00 -1.46 0.00 0.00 175.22 173.64 2wpg s ALA 576 N 1.85 1.18 0.10 11.12 0.00 -1.26 -0.26 121.76 134.48 2wpg s ALA 576 Ca -0.05 -0.38 0.07 0.00 0.00 0.00 0.00 51.96 51.60 2wpg s ALA 576 Cb -0.11 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 2wpg s ALA 576 CO -0.10 0.11 -0.18 -0.48 0.00 0.00 0.00 175.76 175.12 2wpg s LEU 577 N 0.62 2.31 0.09 0.00 0.05 -0.42 -1.14 118.68 120.19 2wpg s LEU 577 Ca -0.13 -0.68 0.07 0.00 0.05 0.00 0.00 54.13 53.44 2wpg s LEU 577 Cb -0.15 -0.71 -0.04 0.00 -2.05 0.00 0.00 46.19 43.24 2wpg s LEU 577 CO 0.03 -0.02 -0.12 0.42 -0.55 0.00 0.00 176.35 176.11 2wpg s THR 578 N -1.36 3.25 -0.11 5.48 -4.23 0.22 -0.63 115.64 118.27 2wpg s THR 578 Ca 0.04 -1.27 0.02 0.00 -1.18 0.00 0.00 61.69 59.30 2wpg s THR 578 Cb -0.09 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.26 2wpg s THR 578 CO 0.04 0.15 -0.18 -0.13 -0.54 0.00 0.00 174.62 173.96 2wpg s ARG 579 N -2.08 2.46 3.42 3.99 1.81 -0.80 -1.72 118.95 126.03 2wpg s ARG 579 Ca 0.20 -0.65 0.00 0.00 -1.72 0.00 0.00 55.73 53.55 2wpg s ARG 579 Cb -0.11 -2.02 0.00 0.00 -0.45 0.00 0.00 34.95 32.37 2wpg s ARG 579 CO 0.12 -0.01 0.00 0.41 -0.68 0.00 0.00 175.30 175.14 2wpg n GLY 580 N 4.04 1.29 0.75 -3.53 0.00 -0.62 -2.59 105.19 104.52 2wpg n GLY 580 Ca -0.20 -0.55 0.06 0.00 0.00 0.00 0.00 46.02 45.34 2wpg n GLY 580 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wpg n ASP 581 N -2.59 3.13 0.00 1.61 8.00 -1.26 -4.62 116.55 120.82 2wpg n ASP 581 Ca 0.00 -2.08 0.00 0.00 0.71 0.00 0.00 54.79 53.42 2wpg n ASP 581 Cb 0.00 -0.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 2wpg n ASP 581 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2wpg n SER 582 N 0.56 0.64 -4.03 -2.24 3.41 -1.23 -4.85 113.62 105.88 2wpg n SER 582 Ca 0.14 -1.19 -0.19 0.00 -0.26 0.00 0.00 58.87 57.36 2wpg n SER 582 Cb 0.49 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.29 2wpg n SER 582 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2wpg s PHE 583 N -0.19 0.87 -0.04 7.33 5.36 -1.07 -0.35 117.98 129.89 2wpg s PHE 583 Ca 0.00 -0.17 -0.02 0.00 -0.96 0.00 0.00 56.93 55.77 2wpg s PHE 583 Cb 0.00 -0.57 0.02 0.00 -0.34 0.00 0.00 43.02 42.13 2wpg s PHE 583 CO 0.00 -0.03 0.09 -1.17 -1.46 0.00 0.00 175.22 172.66 2wpg s LEU 584 N -0.16 1.28 -0.12 6.12 2.96 -0.34 -1.90 118.68 126.52 2wpg s LEU 584 Ca 0.03 0.19 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 2wpg s LEU 584 Cb -0.04 0.25 0.01 0.00 0.50 0.00 0.00 46.19 46.91 2wpg s LEU 584 CO -0.00 -0.08 -0.17 0.00 -1.32 0.00 0.00 176.35 174.77 2wpg s ALA 585 N 0.56 1.86 -0.07 5.97 0.00 0.20 -0.33 121.76 129.95 2wpg s ALA 585 Ca -0.04 -0.84 0.03 0.00 0.00 0.00 0.00 51.96 51.11 2wpg s ALA 585 Cb -0.06 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 2wpg s ALA 585 CO -0.02 -0.06 -0.16 0.08 0.00 0.00 0.00 175.76 175.59 2wpg s VAL 586 N 0.93 2.86 0.02 0.00 1.01 -0.02 -1.30 120.40 123.91 2wpg s VAL 586 Ca -0.07 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.18 2wpg s VAL 586 Cb -0.15 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2wpg s VAL 586 CO -0.02 0.57 -0.13 -1.00 0.00 0.00 0.00 175.10 174.52 2wpg s HIS 587 N -0.40 1.17 -0.35 5.22 3.76 0.64 -1.26 115.29 124.06 2wpg s HIS 587 Ca 0.04 -0.31 -0.06 0.00 -0.15 0.00 0.00 55.06 54.57 2wpg s HIS 587 Cb -0.12 -0.71 0.05 0.00 1.11 0.00 0.00 32.58 32.91 2wpg s HIS 587 CO 0.02 0.02 0.13 1.21 -0.85 0.00 0.00 174.74 175.26 2wpg s ASN 588 N -0.90 5.34 -0.12 1.40 2.47 -0.53 -1.34 114.94 121.25 2wpg s ASN 588 Ca 0.02 -1.25 0.07 0.00 0.42 0.00 0.00 52.86 52.12 2wpg s ASN 588 Cb -0.07 -1.88 0.42 0.00 -1.45 0.00 0.00 41.25 38.27 2wpg s ASN 588 CO 0.01 -0.37 1.15 0.49 -3.72 0.00 0.00 177.10 174.66 2wpg n PHE 589 N 4.80 1.05 -4.63 0.43 3.01 -0.17 -2.70 117.46 119.24 2wpg n PHE 589 Ca -0.11 -0.37 -0.30 0.00 1.01 0.00 0.00 57.45 57.68 2wpg n PHE 589 Cb 0.44 -0.30 -0.09 0.00 -0.01 0.00 0.00 39.48 39.52 2wpg n PHE 589 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2wpg s SER 590 N -0.43 4.04 -0.08 4.37 1.04 -1.26 -4.22 113.70 117.17 2wpg s SER 590 Ca 0.28 -1.48 0.14 0.00 0.48 0.00 0.00 55.95 55.37 2wpg s SER 590 Cb 0.21 0.03 0.54 0.00 0.10 0.00 0.00 66.02 66.90 2wpg s SER 590 CO 0.09 -0.65 1.42 -0.90 0.98 0.00 0.00 173.24 174.17 2wpg n ASP 591 N -1.14 3.65 -4.41 7.02 5.68 -1.26 -1.39 116.55 124.70 2wpg n ASP 591 Ca -0.11 -2.31 -0.33 0.00 -0.50 0.00 0.00 54.79 51.54 2wpg n ASP 591 Cb 0.67 -0.49 -0.13 0.00 -1.14 0.00 0.00 41.12 40.02 2wpg n ASP 591 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 2wpg s VAL 592 N -1.73 3.38 0.24 2.12 1.01 -1.26 -4.67 120.40 119.49 2wpg s VAL 592 Ca 0.38 -0.54 -0.31 0.00 0.00 0.00 0.00 61.98 61.52 2wpg s VAL 592 Cb 0.24 -2.45 -0.11 0.00 0.00 0.00 0.00 36.38 34.06 2wpg s VAL 592 CO 0.19 0.51 1.56 -2.84 0.00 0.00 0.00 175.10 174.51 2wpg s PRO 593 N 0.43 4.19 -0.02 2.72 0.02 -1.26 -4.40 135.00 136.68 2wpg s PRO 593 Ca -0.07 2.45 0.02 0.00 0.02 0.00 0.00 61.00 63.42 2wpg s PRO 593 Cb -0.15 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.29 2wpg s PRO 593 CO 0.04 -0.58 -0.08 -0.51 -0.33 0.00 0.00 177.00 175.55 2wpg s LEU 594 N 0.06 1.82 0.41 -5.54 1.43 -0.06 -4.94 118.68 111.87 2wpg s LEU 594 Ca 0.65 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 53.42 2wpg s LEU 594 Cb -0.45 -0.46 -0.09 0.00 0.03 0.00 0.00 46.19 45.22 2wpg s LEU 594 CO 0.41 0.06 0.87 -2.16 0.23 0.00 0.00 176.35 175.76 2wpg s PRO 595 N 0.13 4.06 -0.05 1.29 0.04 -1.26 -0.05 135.00 139.16 2wpg s PRO 595 Ca -0.02 0.88 0.01 0.00 0.04 0.00 0.00 61.00 61.91 2wpg s PRO 595 Cb -0.07 -2.28 0.02 0.00 0.04 0.00 0.00 34.50 32.22 2wpg s PRO 595 CO 0.00 -0.01 -0.05 0.08 0.04 0.00 0.00 177.00 177.06 2wpg s VAL 596 N -2.21 0.58 -0.52 -0.36 1.01 0.85 -4.93 120.40 114.82 2wpg s VAL 596 Ca 0.58 -0.14 -0.21 0.00 0.00 0.00 0.00 61.98 62.21 2wpg s VAL 596 Cb -0.10 -0.61 0.05 0.00 0.00 0.00 0.00 36.38 35.73 2wpg s VAL 596 CO 0.19 0.24 0.75 -0.62 0.00 0.00 0.00 175.10 175.67 2wpg s ASP 597 N 0.99 6.27 0.40 3.32 -1.08 -1.26 -0.71 116.67 124.59 2wpg s ASP 597 Ca -0.10 -0.69 0.09 0.00 -0.52 0.00 0.00 52.55 51.33 2wpg s ASP 597 Cb -0.14 -2.35 0.82 0.00 -1.46 0.00 0.00 42.92 39.79 2wpg s ASP 597 CO -0.00 -1.03 1.96 -0.07 0.52 0.00 0.00 175.17 176.56 2wpg h LEU 598 N 10.22 0.30 -2.06 -1.34 3.38 -1.48 -2.55 115.31 121.77 2wpg h LEU 598 Ca -0.27 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2wpg h LEU 598 Cb 1.09 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 2wpg h LEU 598 CO 1.01 0.36 -0.02 0.71 0.09 0.00 0.00 178.44 180.60 2wpg h THR 599 N 0.32 0.91 -0.06 0.22 1.35 -1.86 -1.87 112.91 111.92 2wpg h THR 599 Ca 0.07 -0.06 0.02 0.00 -0.55 0.00 0.00 66.41 65.89 2wpg h THR 599 Cb 0.23 1.03 -0.00 0.00 -1.73 0.00 0.00 68.15 67.68 2wpg h THR 599 CO 0.01 0.02 0.07 1.56 -0.25 0.00 0.00 175.52 176.93 2wpg h GLN 600 N 0.00 0.00 0.00 4.72 4.20 -1.81 -2.48 115.11 119.74 2wpg h GLN 600 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wpg h GLN 600 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2wpg h GLN 600 CO 0.00 0.00 -0.04 0.25 -0.67 0.00 0.00 178.83 178.37 2wpg n THR 601 N -3.80 1.73 -2.03 -0.54 -2.24 -0.82 -4.98 114.28 101.59 2wpg n THR 601 Ca -0.01 -2.07 -0.09 0.00 -2.27 0.00 0.00 64.05 59.60 2wpg n THR 601 Cb 0.17 -0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 2wpg n THR 601 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wpg n GLY 602 N -1.31 0.16 0.33 3.38 0.00 -0.93 -4.92 105.19 101.89 2wpg n GLY 602 Ca 0.15 -0.53 0.07 0.00 0.00 0.00 0.00 46.02 45.71 2wpg n GLY 602 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wpg n HIS 603 N -3.82 0.29 -1.71 1.61 8.25 -0.77 -5.02 115.22 114.06 2wpg n HIS 603 Ca -0.10 -0.83 -0.43 0.00 -0.26 0.00 0.00 57.72 56.09 2wpg n HIS 603 Cb 0.54 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.47 2wpg n HIS 603 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wpg n ALA 604 N -0.85 1.87 -0.95 -1.41 0.00 -1.23 -2.23 120.51 115.70 2wpg n ALA 604 Ca 0.14 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2wpg n ALA 604 Cb 0.62 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.70 2wpg n ALA 604 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wpg n LEU 605 N 1.92 0.29 -4.75 0.00 4.77 0.26 -4.97 117.00 114.52 2wpg n LEU 605 Ca 0.09 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.71 2wpg n LEU 605 Cb 0.35 -0.88 0.04 0.00 -2.33 0.00 0.00 43.42 40.60 2wpg n LEU 605 CO 0.63 -0.25 0.84 0.26 -1.33 0.00 0.00 177.39 177.55 2wpg s TRP 606 N -2.16 2.33 0.05 -1.77 0.52 -0.95 -4.29 118.94 112.67 2wpg s TRP 606 Ca 0.00 1.52 -0.20 0.00 0.02 0.00 0.00 56.10 57.44 2wpg s TRP 606 Cb 0.00 -3.50 -0.06 0.00 -1.15 0.00 0.00 33.47 28.75 2wpg s TRP 606 CO 0.00 -2.33 0.58 0.00 0.02 0.00 0.00 176.95 175.22 2wpg s ALA 607 N -1.61 3.55 -0.25 0.98 0.00 -0.03 -1.47 121.76 122.93 2wpg s ALA 607 Ca 0.78 0.04 -0.22 0.00 0.00 0.00 0.00 51.96 52.56 2wpg s ALA 607 Cb -0.31 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 2wpg s ALA 607 CO 0.35 0.31 0.69 0.08 0.00 0.00 0.00 175.76 177.20 2wpg s VAL 608 N -0.78 4.94 0.69 0.00 1.01 -0.70 -0.61 120.40 124.94 2wpg s VAL 608 Ca 0.30 1.28 -0.11 0.00 0.00 0.00 0.00 61.98 63.44 2wpg s VAL 608 Cb -0.19 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2wpg s VAL 608 CO 0.19 -0.00 1.07 -0.76 0.00 0.00 0.00 175.10 175.59 2wpg s LEU 609 N 2.60 3.01 -1.36 3.92 1.43 0.48 -3.96 118.68 124.79 2wpg s LEU 609 Ca 0.29 1.35 -0.10 0.00 -1.03 0.00 0.00 54.13 54.64 2wpg s LEU 609 Cb -0.15 -4.22 0.11 0.00 0.03 0.00 0.00 46.19 41.95 2wpg s LEU 609 CO 0.08 -1.31 2.11 -0.67 0.23 0.00 0.00 176.35 176.80 2wpg n ASP 610 N -3.02 5.26 0.21 2.29 2.03 -1.26 -4.69 116.55 117.37 2wpg n ASP 610 Ca 0.07 -2.99 0.06 0.00 0.52 0.00 0.00 54.79 52.45 2wpg n ASP 610 Cb 0.55 -1.53 0.44 0.00 -0.72 0.00 0.00 41.12 39.86 2wpg n ASP 610 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 2wpg h THR 611 N 3.65 0.92 0.00 5.18 1.35 -1.91 -3.05 112.91 119.06 2wpg h THR 611 Ca 0.51 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 2wpg h THR 611 Cb 0.57 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2wpg h THR 611 CO 1.71 0.30 -0.53 0.47 -0.25 0.00 0.00 175.52 177.22 2wpg n ASP 612 N -3.73 0.58 -0.33 5.36 8.00 -1.26 -4.44 116.55 120.73 2wpg n ASP 612 Ca -0.01 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2wpg n ASP 612 Cb 0.41 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2wpg n ASP 612 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wpg n GLY 613 N 1.40 0.96 0.00 0.44 0.00 -1.15 -4.96 105.19 101.88 2wpg n GLY 613 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2wpg n GLY 613 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2wpg n THR 614 N -1.58 0.00 -0.02 2.61 -1.04 -1.26 -5.11 114.28 107.87 2wpg n THR 614 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2wpg n THR 614 Cb 0.32 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.81 2wpg n THR 614 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wpg n GLY 615 N 0.00 -0.19 3.03 3.41 0.00 -1.26 -5.03 105.19 105.16 2wpg n GLY 615 Ca 0.00 -0.08 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 2wpg n GLY 615 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wpg s ASP 616 N -5.92 1.54 0.00 1.61 -1.08 -1.26 -5.19 116.67 106.37 2wpg s ASP 616 Ca -0.12 -0.25 0.00 0.00 -0.52 0.00 0.00 52.55 51.67 2wpg s ASP 616 Cb 0.03 -0.49 0.00 0.00 -1.46 0.00 0.00 42.92 41.00 2wpg s ASP 616 CO 0.16 0.07 0.00 0.00 0.52 0.00 0.00 175.17 175.92 2wpg n ALA 617 N 3.40 0.00 -1.78 3.66 0.00 -1.26 -5.02 120.51 119.51 2wpg n ALA 617 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.90 2wpg n ALA 617 Cb 0.53 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.98 2wpg n ALA 617 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wpg s PRO 618 N 1.02 3.41 0.13 0.00 0.04 -1.26 -5.04 135.00 133.30 2wpg s PRO 618 Ca 0.00 1.58 0.05 0.00 0.04 0.00 0.00 61.00 62.68 2wpg s PRO 618 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2wpg s PRO 618 CO 0.00 -0.80 -0.13 -1.21 0.04 0.00 0.00 177.00 174.91 2wpg s GLU 619 N -3.28 1.04 0.31 4.56 2.02 -1.25 -4.89 118.70 117.21 2wpg s GLU 619 Ca 0.72 -1.31 -0.29 0.00 0.02 0.00 0.00 54.97 54.11 2wpg s GLU 619 Cb -0.23 -0.81 -0.11 0.00 0.10 0.00 0.00 34.13 33.08 2wpg s GLU 619 CO 0.26 0.14 1.48 -1.25 0.02 0.00 0.00 175.26 175.91 2wpg s PRO 620 N -3.02 4.19 0.08 0.39 0.04 -1.26 -1.71 135.00 133.70 2wpg s PRO 620 Ca 0.11 2.45 0.05 0.00 0.04 0.00 0.00 61.00 63.66 2wpg s PRO 620 Cb -0.03 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.45 2wpg s PRO 620 CO 0.02 -0.48 -0.14 -1.01 0.04 0.00 0.00 177.00 175.43 2wpg s HIS 621 N -0.52 1.24 -0.48 0.56 3.76 -0.55 -4.93 115.29 114.38 2wpg s HIS 621 Ca 0.57 -0.47 0.12 0.00 -0.15 0.00 0.00 55.06 55.12 2wpg s HIS 621 Cb -0.45 -0.69 -0.13 0.00 1.11 0.00 0.00 32.58 32.41 2wpg s HIS 621 CO 0.52 0.07 0.47 0.25 -0.85 0.00 0.00 174.74 175.20 2wpg n THR 622 N 1.19 0.00 -3.79 1.30 -2.24 -1.26 0.90 114.28 110.38 2wpg n THR 622 Ca -0.21 -0.23 -0.10 0.00 -2.27 0.00 0.00 64.05 61.25 2wpg n THR 622 Cb 0.54 0.90 -0.05 0.00 -2.10 0.00 0.00 70.33 69.62 2wpg n THR 622 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2wpg s GLU 623 N -2.19 1.19 0.11 -0.78 1.03 -1.26 -1.14 118.70 115.65 2wpg s GLU 623 Ca 0.03 -0.93 0.05 0.00 0.03 0.00 0.00 54.97 54.15 2wpg s GLU 623 Cb 0.09 0.45 -0.04 0.00 -0.80 0.00 0.00 34.13 33.83 2wpg s GLU 623 CO 0.48 -0.47 -0.13 -0.51 -1.33 0.00 0.00 175.26 173.31 2wpg s LEU 624 N -2.88 2.39 -0.27 1.83 1.43 0.11 -4.92 118.68 116.37 2wpg s LEU 624 Ca 0.10 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 2wpg s LEU 624 Cb 0.02 -0.46 0.07 0.00 0.03 0.00 0.00 46.19 45.85 2wpg s LEU 624 CO -0.05 -0.18 -0.05 -0.22 0.23 0.00 0.00 176.35 176.09 2wpg s LEU 625 N -2.36 3.37 -0.20 1.79 2.96 -1.26 -0.10 118.68 122.88 2wpg s LEU 625 Ca 0.06 -1.50 -0.19 0.00 -0.22 0.00 0.00 54.13 52.28 2wpg s LEU 625 Cb -0.05 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.20 2wpg s LEU 625 CO 0.02 -0.26 0.56 -0.76 -1.32 0.00 0.00 176.35 174.59 2wpg s LEU 626 N 1.18 4.14 1.08 -0.68 1.02 0.92 -4.89 118.68 121.46 2wpg s LEU 626 Ca -0.03 0.73 -0.12 0.00 0.02 0.00 0.00 54.13 54.73 2wpg s LEU 626 Cb -0.19 -2.77 0.24 0.00 0.02 0.00 0.00 46.19 43.48 2wpg s LEU 626 CO -0.07 -0.21 1.06 -2.16 0.02 0.00 0.00 176.35 174.98 2wpg s PRO 627 N 1.74 -0.27 0.17 1.29 0.04 -1.26 -0.88 135.00 135.83 2wpg s PRO 627 Ca 0.26 0.92 -0.33 0.00 0.04 0.00 0.00 61.00 61.88 2wpg s PRO 627 Cb -0.16 -1.62 -0.15 0.00 0.04 0.00 0.00 34.50 32.61 2wpg s PRO 627 CO 0.10 -3.31 1.31 0.00 0.04 0.00 0.00 177.00 175.14 2wpg n ALA 628 N -4.64 -0.08 -1.84 8.56 0.00 -1.26 -1.32 120.51 119.93 2wpg n ALA 628 Ca 0.05 0.46 -0.19 0.00 0.00 0.00 0.00 53.44 53.76 2wpg n ALA 628 Cb 0.54 -2.14 -0.06 0.00 0.00 0.00 0.00 19.45 17.79 2wpg n ALA 628 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2wpg n TYR 629 N 2.06 -0.42 -2.41 0.00 4.01 -0.49 -4.93 117.16 114.98 2wpg n TYR 629 Ca 0.15 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.57 2wpg n TYR 629 Cb 0.26 -3.43 -0.03 0.00 -0.31 0.00 0.00 39.34 35.83 2wpg n TYR 629 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2wpg s GLY 630 N -2.43 2.18 -0.03 2.72 0.00 -0.44 -4.68 107.32 104.65 2wpg s GLY 630 Ca 0.00 0.31 0.05 0.00 0.00 0.00 0.00 44.72 45.08 2wpg s GLY 630 CO 0.00 0.60 -0.18 0.14 0.00 0.00 0.00 173.10 173.66 2wpg s VAL 631 N -2.44 1.45 -0.05 1.40 1.01 -1.26 -1.46 120.40 119.06 2wpg s VAL 631 Ca 0.61 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.85 2wpg s VAL 631 Cb -0.12 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.05 2wpg s VAL 631 CO 0.28 0.42 -0.06 -0.13 0.00 0.00 0.00 175.10 175.60 2wpg s ARG 632 N -0.15 1.04 -0.14 2.72 1.81 -0.39 -4.97 118.95 118.86 2wpg s ARG 632 Ca 0.01 -0.19 -0.03 0.00 -1.72 0.00 0.00 55.73 53.80 2wpg s ARG 632 Cb -0.10 -0.96 -0.03 0.00 -0.45 0.00 0.00 34.95 33.41 2wpg s ARG 632 CO 0.01 -0.04 -0.03 -1.58 -0.68 0.00 0.00 175.30 172.97 2wpg s TRP 633 N 0.81 3.04 0.02 -0.53 0.52 -1.26 -0.84 118.94 120.69 2wpg s TRP 633 Ca -0.12 -0.19 0.06 0.00 0.02 0.00 0.00 56.10 55.87 2wpg s TRP 633 Cb -0.15 -1.91 -0.02 0.00 -1.15 0.00 0.00 33.47 30.24 2wpg s TRP 633 CO 0.01 0.08 -0.17 -0.51 0.02 0.00 0.00 176.95 176.38 2wpg s LEU 634 N 0.07 2.11 0.00 2.99 1.02 0.55 -0.39 118.68 125.03 2wpg s LEU 634 Ca 0.00 -0.41 0.08 0.00 0.02 0.00 0.00 54.13 53.82 2wpg s LEU 634 Cb -0.13 -0.82 -0.02 0.00 0.02 0.00 0.00 46.19 45.23 2wpg s LEU 634 CO 0.03 0.15 -0.24 -1.58 0.02 0.00 0.00 176.35 174.72 2wpg s GLN 635 N -0.82 1.84 -0.15 1.70 0.74 0.22 -1.20 119.66 121.99 2wpg s GLN 635 Ca 0.05 -0.92 -0.29 0.00 0.05 0.00 0.00 55.36 54.25 2wpg s GLN 635 Cb -0.07 -1.85 -0.01 0.00 1.10 0.00 0.00 33.01 32.18 2wpg s GLN 635 CO 0.01 0.50 1.06 0.50 -0.55 0.00 0.00 175.29 176.81 2wpg s ARG 636 N -0.77 4.34 0.00 1.67 3.52 0.53 -0.85 118.95 127.39 2wpg s ARG 636 Ca 0.10 1.44 0.00 0.00 -0.13 0.00 0.00 55.73 57.13 2wpg s ARG 636 Cb -0.09 -3.60 0.00 0.00 -1.56 0.00 0.00 34.95 29.70 2wpg s ARG 636 CO 0.00 -0.48 0.49 0.54 -0.81 0.00 0.00 175.30 175.04