#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p5t s LEU 67 N 0.00 2.09 0.55 4.03 1.43 -1.26 -5.13 118.68 120.38 2p5t s LEU 67 Ca 0.00 -0.39 -0.19 0.00 -1.03 0.00 0.00 54.13 52.52 2p5t s LEU 67 Cb 0.00 -0.89 -0.09 0.00 0.03 0.00 0.00 46.19 45.24 2p5t s LEU 67 CO 0.00 0.18 0.63 0.59 0.23 0.00 0.00 176.35 177.98 2p5t n ASN 68 N 2.33 -0.58 -0.35 2.29 3.02 -1.26 -4.66 115.26 116.05 2p5t n ASN 68 Ca -0.16 0.79 0.05 0.00 -0.03 0.00 0.00 54.58 55.23 2p5t n ASN 68 Cb 0.54 -1.21 0.22 0.00 -0.61 0.00 0.00 39.78 38.71 2p5t n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2p5t h PRO 69 N 0.43 1.04 -0.26 3.52 0.11 -2.00 0.83 132.00 135.67 2p5t h PRO 69 Ca -0.45 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 2p5t h PRO 69 Cb 1.39 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2p5t h PRO 69 CO 0.49 0.69 0.12 0.28 -0.21 0.00 0.00 178.00 179.37 2p5t h VAL 70 N 1.07 1.15 -0.37 3.15 2.07 -2.00 -2.03 116.25 119.28 2p5t h VAL 70 Ca 0.45 -0.42 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 2p5t h VAL 70 Cb 0.32 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2p5t h VAL 70 CO -0.21 0.15 -0.12 -0.33 0.02 0.00 0.00 177.57 177.08 2p5t h GLU 71 N 0.28 0.66 -0.39 1.57 5.08 -1.77 -2.22 114.58 117.78 2p5t h GLU 71 Ca 0.09 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 2p5t h GLU 71 Cb 0.12 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2p5t h GLU 71 CO -0.01 0.76 -0.13 0.22 -1.00 0.00 0.00 179.01 178.85 2p5t h ASP 72 N 0.60 0.70 0.41 1.42 3.58 0.83 -0.91 116.42 123.04 2p5t h ASP 72 Ca 0.10 -0.21 -0.20 0.00 0.42 0.00 0.00 57.03 57.15 2p5t h ASP 72 Cb 0.56 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2p5t h ASP 72 CO 0.03 0.86 -0.84 0.22 -2.88 0.00 0.00 179.24 176.63 2p5t h TYR 73 N 0.64 0.46 -0.77 0.28 3.20 -1.30 -2.37 116.97 117.11 2p5t h TYR 73 Ca 0.11 -0.23 0.08 0.00 3.14 0.00 0.00 58.73 61.83 2p5t h TYR 73 Cb 0.59 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.74 2p5t h TYR 73 CO 0.03 1.02 0.44 0.93 -1.64 0.00 0.00 178.16 178.93 2p5t h GLU 74 N 0.19 0.74 -0.39 1.82 4.39 -0.93 0.74 114.58 121.14 2p5t h GLU 74 Ca -0.05 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 2p5t h GLU 74 Cb 1.44 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 2p5t h GLU 74 CO 0.14 0.49 0.10 1.25 -1.16 0.00 0.00 179.01 179.83 2p5t h LEU 75 N 0.76 0.58 -0.31 1.33 5.85 -1.07 -0.64 115.31 121.81 2p5t h LEU 75 Ca 0.36 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.92 2p5t h LEU 75 Cb 0.30 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 2p5t h LEU 75 CO -0.23 0.65 -0.08 0.74 -0.34 0.00 0.00 178.44 179.19 2p5t h THR 76 N 0.48 0.69 -0.76 1.05 2.02 -0.82 0.33 112.91 115.90 2p5t h THR 76 Ca 0.12 -0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.31 2p5t h THR 76 Cb 0.29 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 2p5t h THR 76 CO -0.00 0.00 0.51 -0.07 0.37 0.00 0.00 175.52 176.33 2p5t h LEU 77 N 0.00 0.87 -0.50 2.58 3.38 -0.63 0.15 115.31 121.16 2p5t h LEU 77 Ca 0.15 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2p5t h LEU 77 Cb 0.23 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2p5t h LEU 77 CO -0.32 0.63 0.07 0.11 0.09 0.00 0.00 178.44 179.02 2p5t h LYS 78 N 1.03 0.84 -0.87 1.13 1.57 -0.56 0.26 116.57 119.98 2p5t h LYS 78 Ca 0.28 -0.23 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2p5t h LYS 78 Cb -0.12 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.06 2p5t h LYS 78 CO -0.06 0.84 0.57 0.82 -0.57 0.00 0.00 179.45 181.05 2p5t h ILE 79 N 0.72 1.23 -0.12 1.86 2.04 0.12 0.28 117.51 123.63 2p5t h ILE 79 Ca 0.15 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 2p5t h ILE 79 Cb 0.42 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2p5t h ILE 79 CO 0.01 0.22 -0.04 -0.08 0.00 0.00 0.00 178.15 178.26 2p5t h GLU 80 N 1.18 0.23 -0.18 2.37 4.81 -0.23 0.30 114.58 123.06 2p5t h GLU 80 Ca 0.32 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.50 2p5t h GLU 80 Cb -0.13 -0.01 -0.07 0.00 0.63 0.00 0.00 28.75 29.17 2p5t h GLU 80 CO -0.07 0.55 -0.40 0.82 -0.73 0.00 0.00 179.01 179.18 2p5t h ILE 81 N -0.10 0.16 -0.65 2.32 1.08 -0.16 -2.19 117.51 117.98 2p5t h ILE 81 Ca 0.03 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.44 2p5t h ILE 81 Cb 0.48 0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.36 2p5t h ILE 81 CO 0.01 0.00 0.18 0.58 -0.69 0.00 0.00 178.15 178.23 2p5t h VAL 82 N -0.45 1.25 0.00 1.67 2.07 -0.30 -2.50 116.25 117.99 2p5t h VAL 82 Ca 0.09 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.75 2p5t h VAL 82 Cb 0.61 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2p5t h VAL 82 CO -0.42 0.33 -0.04 0.50 0.02 0.00 0.00 177.57 177.96 2p5t h LYS 83 N 0.96 -0.08 -0.48 1.57 3.64 -0.76 -2.41 116.57 119.01 2p5t h LYS 83 Ca 0.21 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.65 2p5t h LYS 83 Cb 0.31 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.09 2p5t h LYS 83 CO -0.00 -0.05 0.21 0.93 -2.27 0.00 0.00 179.45 178.27 2p5t h GLU 84 N -0.08 0.41 0.16 1.90 5.08 -0.97 0.43 114.58 121.51 2p5t h GLU 84 Ca 0.02 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 2p5t h GLU 84 Cb 0.10 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 2p5t h GLU 84 CO -0.05 0.27 -0.38 -0.09 -1.00 0.00 0.00 179.01 177.77 2p5t h ARG 85 N 0.42 -0.61 -0.41 2.33 2.43 -1.44 -1.68 114.38 115.42 2p5t h ARG 85 Ca 0.22 0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.51 2p5t h ARG 85 Cb 0.18 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.79 2p5t h ARG 85 CO -0.19 -0.41 -0.08 0.78 -1.51 0.00 0.00 179.97 178.56 2p5t h GLY 86 N -0.64 0.32 -0.11 2.80 0.00 -0.84 0.17 103.07 104.77 2p5t h GLY 86 Ca 0.02 0.12 0.15 0.00 0.00 0.00 0.00 47.33 47.61 2p5t h GLY 86 CO -0.19 -0.14 0.06 0.00 0.00 0.00 0.00 176.54 176.27 2p5t h ALA 87 N 1.40 0.75 -0.15 3.60 0.00 -0.81 0.38 119.26 124.42 2p5t h ALA 87 Ca 0.20 0.19 -0.14 0.00 0.00 0.00 0.00 54.91 55.15 2p5t h ALA 87 Cb 0.30 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2p5t h ALA 87 CO -0.40 -0.38 -0.51 -0.91 0.00 0.00 0.00 179.25 177.05 2p5t h ASN 88 N 0.17 0.46 -0.49 0.00 2.35 -0.18 -1.77 115.58 116.11 2p5t h ASN 88 Ca 0.37 -0.23 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 2p5t h ASN 88 Cb 0.62 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 2p5t h ASN 88 CO -0.54 0.89 0.18 -0.07 -1.65 0.00 0.00 177.43 176.24 2p5t h LEU 89 N 0.33 0.70 0.21 1.61 3.38 0.16 -2.03 115.31 119.66 2p5t h LEU 89 Ca 0.01 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2p5t h LEU 89 Cb 1.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 2p5t h LEU 89 CO 0.09 0.70 -0.27 0.25 0.09 0.00 0.00 178.44 179.29 2p5t h LEU 90 N 0.66 -0.76 -0.59 1.67 5.85 -0.11 0.39 115.31 122.42 2p5t h LEU 90 Ca 0.16 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.08 2p5t h LEU 90 Cb 0.23 0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.44 2p5t h LEU 90 CO -0.01 -0.38 0.04 0.28 -0.34 0.00 0.00 178.44 178.03 2p5t h SER 91 N -0.54 -0.18 -0.65 1.25 0.02 -1.28 0.61 113.55 112.78 2p5t h SER 91 Ca 0.01 0.13 0.05 0.00 -0.84 0.00 0.00 61.79 61.14 2p5t h SER 91 Cb 0.53 0.22 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 2p5t h SER 91 CO -0.10 -0.07 0.37 -0.09 -1.14 0.00 0.00 176.83 175.80 2p5t h ARG 92 N 0.16 0.68 -0.22 3.45 2.43 -1.00 -0.33 114.38 119.55 2p5t h ARG 92 Ca 0.31 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.33 2p5t h ARG 92 Cb 0.48 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2p5t h ARG 92 CO -0.47 0.45 -0.32 1.25 -1.51 0.00 0.00 179.97 179.37 2p5t h LEU 93 N 0.70 0.46 -0.04 3.80 5.85 0.27 -2.21 115.31 124.16 2p5t h LEU 93 Ca 0.28 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2p5t h LEU 93 Cb 0.13 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2p5t h LEU 93 CO -0.15 0.76 0.01 1.88 -0.34 0.00 0.00 178.44 180.60 2p5t h TYR 94 N 0.39 0.06 -0.81 1.25 0.05 0.48 -2.14 116.97 116.25 2p5t h TYR 94 Ca 0.05 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.90 2p5t h TYR 94 Cb 0.76 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.43 2p5t h TYR 94 CO 0.02 0.22 0.53 0.00 -1.05 0.00 0.00 178.16 177.88 2p5t h ARG 95 N -0.12 0.81 -0.11 4.88 3.08 -0.76 0.78 114.38 122.94 2p5t h ARG 95 Ca 0.01 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 2p5t h ARG 95 Cb 0.19 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 2p5t h ARG 95 CO -0.00 0.53 -0.17 -0.92 -1.07 0.00 0.00 179.97 178.34 2p5t h TYR 96 N 0.83 0.38 -0.92 3.04 3.20 -1.36 -2.51 116.97 119.63 2p5t h TYR 96 Ca 0.36 -0.13 0.07 0.00 3.14 0.00 0.00 58.73 62.17 2p5t h TYR 96 Cb 0.31 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.44 2p5t h TYR 96 CO -0.00 0.78 0.60 1.96 -1.64 0.00 0.00 178.16 179.85 2p5t h GLN 97 N -0.13 1.00 -0.41 1.82 4.20 -0.68 -1.66 115.11 119.26 2p5t h GLN 97 Ca 0.01 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.67 2p5t h GLN 97 Cb 0.74 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 2p5t h GLN 97 CO 0.04 0.66 0.25 -0.44 -0.67 0.00 0.00 178.83 178.67 2p5t h ASP 98 N 1.03 0.41 0.64 1.46 3.32 -0.85 -1.89 116.42 120.55 2p5t h ASP 98 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 2p5t h ASP 98 Cb 0.23 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2p5t h ASP 98 CO -0.16 0.30 0.00 0.77 -1.72 0.00 0.00 179.24 178.43 2p5t h SER 99 N 0.51 0.00 -0.34 6.45 4.64 -0.86 -2.05 113.55 121.89 2p5t h SER 99 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2p5t h SER 99 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2p5t h SER 99 CO -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.89 2p5t n GLN 100 N -2.77 2.48 -1.63 4.77 1.13 -0.81 -4.96 117.38 115.59 2p5t n GLN 100 Ca 0.00 -2.22 -0.21 0.00 -1.94 0.00 0.00 57.00 52.63 2p5t n GLN 100 Cb 0.21 -1.51 -0.09 0.00 0.11 0.00 0.00 30.24 28.97 2p5t n GLN 100 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2p5t n GLY 101 N 1.49 1.91 3.67 1.08 0.00 -0.77 -4.94 105.19 107.64 2p5t n GLY 101 Ca 0.19 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2p5t n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2p5t s ILE 102 N -2.78 4.00 0.29 -0.61 1.01 -0.77 -4.97 121.20 117.36 2p5t s ILE 102 Ca 0.00 1.29 -0.29 0.00 0.00 0.00 0.00 60.65 61.65 2p5t s ILE 102 Cb 0.00 -3.83 -0.10 0.00 0.01 0.00 0.00 42.46 38.54 2p5t s ILE 102 CO 0.00 -0.05 1.22 -0.55 0.00 0.00 0.00 174.94 175.55 2p5t s SER 103 N 2.03 7.00 0.13 3.58 0.15 -1.26 -4.65 113.70 120.68 2p5t s SER 103 Ca 0.60 2.47 -0.01 0.00 0.70 0.00 0.00 55.95 59.71 2p5t s SER 103 Cb -0.27 -2.63 0.26 0.00 -1.71 0.00 0.00 66.02 61.67 2p5t s SER 103 CO 0.22 -0.37 0.67 -0.38 1.20 0.00 0.00 173.24 174.58 2p5t n ILE 104 N 1.24 -0.18 -0.48 6.45 5.41 -1.26 -1.23 119.36 129.31 2p5t n ILE 104 Ca 0.00 0.96 0.06 0.00 1.00 0.00 0.00 62.75 64.77 2p5t n ILE 104 Cb 0.43 -1.36 0.14 0.00 -0.71 0.00 0.00 39.64 38.14 2p5t n ILE 104 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2p5t n ASP 105 N -4.58 2.89 -3.59 4.38 5.75 -1.26 -4.87 116.55 115.27 2p5t n ASP 105 Ca 0.08 -2.42 -0.44 0.00 -0.01 0.00 0.00 54.79 52.00 2p5t n ASP 105 Cb 0.27 -0.29 -0.07 0.00 -1.03 0.00 0.00 41.12 40.00 2p5t n ASP 105 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2p5t n ASP 106 N -0.26 2.12 0.23 -1.12 -0.08 -0.37 -4.69 116.55 112.38 2p5t n ASP 106 Ca 0.12 -2.63 0.18 0.00 -1.51 0.00 0.00 54.79 50.95 2p5t n ASP 106 Cb 0.54 -0.95 0.86 0.00 2.34 0.00 0.00 41.12 43.91 2p5t n ASP 106 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2p5t h GLU 107 N 8.45 0.00 -0.25 -0.67 5.08 -1.89 0.15 114.58 125.45 2p5t h GLU 107 Ca 0.38 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.70 2p5t h GLU 107 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2p5t h GLU 107 CO 1.99 0.00 -0.01 1.03 -1.00 0.00 0.00 179.01 181.02 2p5t h SER 108 N 0.00 0.35 -3.17 1.42 0.87 -2.00 -3.43 113.55 107.61 2p5t h SER 108 Ca 0.08 -0.06 -0.53 0.00 -1.23 0.00 0.00 61.79 60.05 2p5t h SER 108 Cb 0.56 -0.09 0.02 0.00 -0.44 0.00 0.00 62.40 62.44 2p5t h SER 108 CO -0.00 0.42 0.64 0.21 -0.53 0.00 0.00 176.83 177.57 2p5t s ASN 109 N -6.81 6.96 0.33 6.23 3.84 0.54 -4.94 114.94 121.10 2p5t s ASN 109 Ca -0.07 2.20 0.01 0.00 0.21 0.00 0.00 52.86 55.22 2p5t s ASN 109 Cb 0.16 -2.59 0.58 0.00 -0.55 0.00 0.00 41.25 38.85 2p5t s ASN 109 CO 0.74 -0.54 1.99 -0.65 -2.79 0.00 0.00 177.10 175.85 2p5t h PRO 110 N 6.49 0.89 -0.45 0.43 0.11 -1.86 -2.27 132.00 135.34 2p5t h PRO 110 Ca -0.42 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2p5t h PRO 110 Cb 1.21 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 2p5t h PRO 110 CO 0.82 0.60 0.22 -1.49 -0.21 0.00 0.00 178.00 177.94 2p5t h TRP 111 N 0.91 0.61 -0.33 0.65 4.06 -1.92 -1.73 115.95 118.20 2p5t h TRP 111 Ca 0.24 -0.01 -0.07 0.00 2.06 0.00 0.00 58.89 61.11 2p5t h TRP 111 Cb -0.08 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 27.87 2p5t h TRP 111 CO 0.00 0.45 -0.11 0.82 -3.56 0.00 0.00 178.44 176.04 2p5t h ILE 112 N 0.62 1.23 -0.48 1.49 1.08 -1.67 -2.40 117.51 117.39 2p5t h ILE 112 Ca 0.16 -1.03 0.05 0.00 -0.39 0.00 0.00 64.86 63.65 2p5t h ILE 112 Cb 0.06 1.10 -0.04 0.00 -3.07 0.00 0.00 36.82 34.88 2p5t h ILE 112 CO -0.02 0.34 0.23 -0.07 -0.69 0.00 0.00 178.15 177.93 2p5t h LEU 113 N 0.51 0.31 0.34 1.44 3.38 -1.26 0.40 115.31 120.43 2p5t h LEU 113 Ca 0.10 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2p5t h LEU 113 Cb 0.50 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2p5t h LEU 113 CO 0.03 0.22 -0.22 0.24 0.09 0.00 0.00 178.44 178.79 2p5t h MET 114 N 0.45 -0.53 -0.03 1.13 2.86 -1.33 0.39 114.93 117.87 2p5t h MET 114 Ca 0.21 0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.86 2p5t h MET 114 Cb 0.14 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 2p5t h MET 114 CO -0.16 -0.35 -0.12 0.66 1.06 0.00 0.00 176.91 177.99 2p5t h SER 115 N -0.55 0.04 0.32 1.22 4.64 -1.28 0.25 113.55 118.19 2p5t h SER 115 Ca -0.03 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.27 2p5t h SER 115 Cb 0.46 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2p5t h SER 115 CO 0.02 0.17 -0.15 0.44 -0.87 0.00 0.00 176.83 176.43 2p5t h ASP 116 N 0.04 -0.37 -0.01 4.97 3.32 0.14 -2.37 116.42 122.14 2p5t h ASP 116 Ca 0.01 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 56.93 2p5t h ASP 116 Cb 0.25 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 2p5t h ASP 116 CO 0.02 -0.01 -0.24 -0.78 -1.72 0.00 0.00 179.24 176.51 2p5t h ASP 117 N -0.76 -0.70 -0.22 6.45 3.58 0.33 -1.69 116.42 123.41 2p5t h ASP 117 Ca -0.04 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.51 2p5t h ASP 117 Cb 0.50 0.29 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 2p5t h ASP 117 CO 0.07 -0.30 0.14 0.25 -2.88 0.00 0.00 179.24 176.52 2p5t h LEU 118 N -0.36 0.25 -1.32 2.28 5.85 -0.63 -2.86 115.31 118.52 2p5t h LEU 118 Ca 0.07 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 2p5t h LEU 118 Cb 0.45 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2p5t h LEU 118 CO -0.22 0.18 -0.29 0.77 -0.34 0.00 0.00 178.44 178.53 2p5t h SER 119 N 0.29 0.00 -0.43 1.25 4.64 -1.30 -2.28 113.55 115.72 2p5t h SER 119 Ca 0.08 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.36 2p5t h SER 119 Cb -0.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 2p5t h SER 119 CO -0.02 0.29 0.13 0.44 -0.87 0.00 0.00 176.83 176.80 2p5t h ASP 120 N 0.00 0.68 0.06 4.97 5.19 -1.08 -1.58 116.42 124.67 2p5t h ASP 120 Ca -0.00 -0.11 -0.13 0.00 -0.62 0.00 0.00 57.03 56.17 2p5t h ASP 120 Cb 0.66 -0.18 0.01 0.00 0.18 0.00 0.00 39.33 40.01 2p5t h ASP 120 CO 0.04 0.67 -0.53 -0.07 -3.12 0.00 0.00 179.24 176.22 2p5t h LEU 121 N 0.72 0.36 -1.01 1.55 3.38 -1.37 -2.54 115.31 116.39 2p5t h LEU 121 Ca 0.16 -0.89 0.06 0.00 0.09 0.00 0.00 57.88 57.31 2p5t h LEU 121 Cb 0.25 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 2p5t h LEU 121 CO -0.00 1.22 0.65 0.40 0.09 0.00 0.00 178.44 180.79 2p5t h ILE 122 N -0.45 1.09 0.00 1.22 1.08 -1.39 0.11 117.51 119.17 2p5t h ILE 122 Ca -0.08 -0.40 -0.17 0.00 -0.39 0.00 0.00 64.86 63.81 2p5t h ILE 122 Cb 1.35 -0.19 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 2p5t h ILE 122 CO 0.10 0.22 -1.12 0.45 -0.69 0.00 0.00 178.15 177.10 2p5t h HIS 123 N 1.18 0.00 0.00 1.37 3.86 -1.39 -3.45 115.15 116.72 2p5t h HIS 123 Ca 0.43 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.64 2p5t h HIS 123 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2p5t h HIS 123 CO -0.00 0.68 0.00 2.41 0.86 0.00 0.00 177.93 181.88 2p5t n THR 124 N -3.08 0.00 -0.32 2.45 -1.04 -0.98 -4.96 114.28 106.36 2p5t n THR 124 Ca -0.06 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.07 2p5t n THR 124 Cb 0.85 -0.26 0.33 0.00 -1.82 0.00 0.00 70.33 69.44 2p5t n THR 124 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2p5t h ASN 125 N 0.00 0.75 -0.32 8.00 4.21 -1.26 -2.12 115.58 124.85 2p5t h ASN 125 Ca 0.00 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.57 2p5t h ASN 125 Cb 0.00 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 37.09 2p5t h ASN 125 CO 0.00 0.36 0.20 -0.29 -1.29 0.00 0.00 177.43 176.41 2p5t h ILE 126 N 0.78 1.09 0.00 2.81 2.10 -1.07 -1.77 117.51 121.45 2p5t h ILE 126 Ca 0.50 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 66.25 2p5t h ILE 126 Cb 0.73 0.63 0.00 0.00 -1.09 0.00 0.00 36.82 37.08 2p5t h ILE 126 CO -0.26 0.09 0.00 -1.22 -1.08 0.00 0.00 178.15 175.68 2p5t n TYR 127 N -4.48 0.00 -0.16 2.19 4.01 -0.80 -2.64 117.16 115.29 2p5t n TYR 127 Ca 0.02 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.84 2p5t n TYR 127 Cb 0.07 -0.23 0.21 0.00 -0.31 0.00 0.00 39.34 39.08 2p5t n TYR 127 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2p5t n LEU 128 N -1.23 3.24 -4.75 7.72 4.77 -0.66 -4.97 117.00 121.11 2p5t n LEU 128 Ca 0.12 -1.90 -0.41 0.00 -0.03 0.00 0.00 56.01 53.80 2p5t n LEU 128 Cb 0.16 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 2p5t n LEU 128 CO 0.17 0.79 0.85 -0.69 -1.33 0.00 0.00 177.39 177.19 2p5t s VAL 129 N -1.03 3.45 0.00 4.08 1.01 -1.08 -4.94 120.40 121.88 2p5t s VAL 129 Ca 0.32 1.33 0.00 0.00 0.00 0.00 0.00 61.98 63.63 2p5t s VAL 129 Cb 0.17 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2p5t s VAL 129 CO 0.23 0.27 0.38 -0.62 0.00 0.00 0.00 175.10 175.35 2p5t n GLU 130 N 1.78 0.15 -4.16 2.72 1.02 -1.26 -5.07 120.64 115.82 2p5t n GLU 130 Ca 0.02 -0.41 -0.17 0.00 -0.02 0.00 0.00 57.16 56.58 2p5t n GLU 130 Cb 0.44 -0.54 -0.12 0.00 -0.02 0.00 0.00 31.44 31.20 2p5t n GLU 130 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2p5t s THR 131 N -0.06 1.03 0.28 2.62 -1.32 -1.26 -5.03 115.64 111.89 2p5t s THR 131 Ca 0.00 -1.31 0.03 0.00 -1.21 0.00 0.00 61.69 59.20 2p5t s THR 131 Cb 0.00 -1.04 0.05 0.00 -1.51 0.00 0.00 72.50 70.00 2p5t s THR 131 CO 0.00 -0.28 1.70 -0.26 -2.21 0.00 0.00 174.62 173.57 2p5t h PHE 132 N 4.24 0.48 0.00 9.09 0.04 -1.99 -2.86 116.94 125.94 2p5t h PHE 132 Ca -0.40 -0.11 -0.03 0.00 2.80 0.00 0.00 57.97 60.23 2p5t h PHE 132 Cb 1.19 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 39.23 2p5t h PHE 132 CO 0.64 0.69 -0.14 -0.44 -0.60 0.00 0.00 178.31 178.46 2p5t h ASP 133 N 0.36 0.00 0.80 2.17 5.19 -2.00 -1.45 116.42 121.49 2p5t h ASP 133 Ca 0.05 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.35 2p5t h ASP 133 Cb 0.74 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.24 2p5t h ASP 133 CO 0.06 0.14 -0.53 -0.08 -3.12 0.00 0.00 179.24 175.71 2p5t h GLU 134 N 0.00 0.00 -0.27 3.56 4.81 -1.93 -1.56 114.58 119.18 2p5t h GLU 134 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2p5t h GLU 134 Cb 0.54 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 2p5t h GLU 134 CO 0.02 0.53 0.13 0.82 -0.73 0.00 0.00 179.01 179.78 2p5t h ILE 135 N 0.00 1.14 0.34 2.32 1.08 -1.22 -2.15 117.51 119.02 2p5t h ILE 135 Ca -0.01 -0.40 -0.02 0.00 -0.39 0.00 0.00 64.86 64.04 2p5t h ILE 135 Cb 1.07 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 35.73 2p5t h ILE 135 CO 0.07 0.14 -0.16 -0.33 -0.69 0.00 0.00 178.15 177.18 2p5t h GLU 136 N 0.31 -0.43 -0.68 2.37 4.39 -1.34 -1.38 114.58 117.82 2p5t h GLU 136 Ca 0.09 0.03 0.09 0.00 0.34 0.00 0.00 59.36 59.91 2p5t h GLU 136 Cb 0.11 0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 28.76 2p5t h GLU 136 CO -0.01 -0.25 -0.31 -2.13 -1.16 0.00 0.00 179.01 175.15 2p5t n ARG 137 N -5.26 -0.21 0.09 2.33 0.63 -0.60 -0.94 116.66 112.70 2p5t n ARG 137 Ca -0.10 1.04 -0.13 0.00 -0.92 0.00 0.00 57.85 57.74 2p5t n ARG 137 Cb 0.22 -1.54 -0.08 0.00 0.45 0.00 0.00 32.46 31.51 2p5t n ARG 137 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 2p5t h TYR 138 N 0.00 -0.16 0.00 -0.14 0.05 -0.92 -2.83 116.97 112.96 2p5t h TYR 138 Ca 0.19 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.88 2p5t h TYR 138 Cb 0.36 0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 2p5t h TYR 138 CO -0.63 -0.00 -0.43 0.66 -1.05 0.00 0.00 178.16 176.71 2p5t h SER 139 N -0.29 0.00 0.16 3.88 4.64 -0.21 -1.30 113.55 120.43 2p5t h SER 139 Ca -0.02 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 2p5t h SER 139 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 2p5t h SER 139 CO 0.03 0.43 -0.18 1.23 -0.87 0.00 0.00 176.83 177.47 2p5t h GLY 140 N 1.29 0.06 0.67 -0.77 0.00 -1.01 -0.08 103.07 103.23 2p5t h GLY 140 Ca -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 2p5t h GLY 140 CO 0.06 0.03 -0.32 -1.82 0.00 0.00 0.00 176.54 174.49 2p5t h TYR 141 N 0.05 -0.83 -0.98 5.60 3.20 -1.01 -3.03 116.97 119.97 2p5t h TYR 141 Ca 0.01 -0.02 0.33 0.00 3.14 0.00 0.00 58.73 62.19 2p5t h TYR 141 Cb 0.36 0.28 -0.17 0.00 1.54 0.00 0.00 36.73 38.74 2p5t h TYR 141 CO 0.00 -0.52 0.39 -0.07 -1.64 0.00 0.00 178.16 176.32 2p5t h LEU 142 N -1.16 0.15 -0.42 2.82 3.38 -1.13 0.30 115.31 119.26 2p5t h LEU 142 Ca -0.09 0.23 0.07 0.00 0.09 0.00 0.00 57.88 58.19 2p5t h LEU 142 Cb 0.69 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 2p5t h LEU 142 CO 0.15 -0.29 0.03 0.44 0.09 0.00 0.00 178.44 178.85 2p5t h ASP 143 N 0.12 -0.12 0.33 -0.43 3.32 -0.99 0.12 116.42 118.77 2p5t h ASP 143 Ca 0.72 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.84 2p5t h ASP 143 Cb 1.69 0.15 0.00 0.00 0.22 0.00 0.00 39.33 41.39 2p5t h ASP 143 CO -0.74 -0.02 -0.16 1.23 -1.72 0.00 0.00 179.24 177.83 2p5t h GLY 144 N 0.14 -0.46 0.01 2.75 0.00 -0.31 0.11 103.07 105.31 2p5t h GLY 144 Ca 0.21 0.17 0.15 0.00 0.00 0.00 0.00 47.33 47.85 2p5t h GLY 144 CO -0.32 -0.17 0.18 -2.22 0.00 0.00 0.00 176.54 174.01 2p5t h ILE 145 N -0.50 0.56 -0.41 2.60 2.04 -1.17 -1.78 117.51 118.85 2p5t h ILE 145 Ca -0.05 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2p5t h ILE 145 Cb 0.38 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 2p5t h ILE 145 CO 0.07 0.05 0.21 -0.08 0.00 0.00 0.00 178.15 178.40 2p5t h GLU 146 N 0.28 0.58 -0.88 2.37 4.81 -0.13 -2.19 114.58 119.42 2p5t h GLU 146 Ca 0.39 -0.08 0.08 0.00 -0.13 0.00 0.00 59.36 59.62 2p5t h GLU 146 Cb 0.64 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.84 2p5t h GLU 146 CO -0.47 0.49 0.54 0.00 -0.73 0.00 0.00 179.01 178.84 2p5t h ARG 147 N 0.52 0.92 -0.10 1.92 3.08 0.04 -1.51 114.38 119.27 2p5t h ARG 147 Ca 0.14 -0.06 -0.20 0.00 0.07 0.00 0.00 59.98 59.94 2p5t h ARG 147 Cb 0.09 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 2p5t h ARG 147 CO -0.02 0.61 -0.74 0.52 -1.07 0.00 0.00 179.97 179.27 2p5t h MET 148 N 0.95 0.51 -0.12 0.04 2.86 -1.20 -2.73 114.93 115.25 2p5t h MET 148 Ca 0.40 -0.42 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 2p5t h MET 148 Cb 0.25 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 2p5t h MET 148 CO -0.20 1.05 0.01 -0.07 1.06 0.00 0.00 176.91 178.76 2p5t h LEU 149 N 0.35 -0.02 -0.59 1.22 3.38 -1.07 -1.30 115.31 117.28 2p5t h LEU 149 Ca -0.04 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.07 2p5t h LEU 149 Cb 1.34 0.04 -0.11 0.00 0.09 0.00 0.00 40.66 42.01 2p5t h LEU 149 CO 0.14 0.01 -0.16 -0.33 0.09 0.00 0.00 178.44 178.18 2p5t h GLU 150 N 0.05 -0.01 -0.43 1.13 4.39 -1.15 -0.31 114.58 118.26 2p5t h GLU 150 Ca 0.05 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.63 2p5t h GLU 150 Cb 0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2p5t h GLU 150 CO -0.08 -0.01 -0.23 0.82 -1.16 0.00 0.00 179.01 178.35 2p5t h ILE 151 N -0.01 1.28 -0.54 3.13 2.04 -1.31 -2.39 117.51 119.71 2p5t h ILE 151 Ca 0.28 -1.39 -0.07 0.00 1.00 0.00 0.00 64.86 64.68 2p5t h ILE 151 Cb 0.44 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 2p5t h ILE 151 CO -0.61 0.47 0.06 0.28 0.00 0.00 0.00 178.15 178.35 2p5t h SER 152 N 0.74 0.88 -0.53 1.72 0.02 -0.67 -1.92 113.55 113.80 2p5t h SER 152 Ca 0.09 -0.28 -0.10 0.00 -0.84 0.00 0.00 61.79 60.66 2p5t h SER 152 Cb 0.81 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.09 2p5t h SER 152 CO 0.07 0.94 -0.07 -0.33 -1.14 0.00 0.00 176.83 176.30 2p5t h GLU 153 N 0.80 1.00 -0.13 3.45 5.08 -1.02 -2.65 114.58 121.11 2p5t h GLU 153 Ca 0.16 -0.34 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 2p5t h GLU 153 Cb 0.45 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2p5t h GLU 153 CO 0.02 1.02 -0.31 0.87 -1.00 0.00 0.00 179.01 179.60 2p5t h LYS 154 N 0.90 0.24 0.00 2.33 1.57 -1.32 -2.89 116.57 117.40 2p5t h LYS 154 Ca 0.15 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2p5t h LYS 154 Cb 0.62 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2p5t h LYS 154 CO 0.04 0.54 -0.20 -0.09 -0.57 0.00 0.00 179.45 179.17 2p5t h ARG 155 N 0.21 0.00 -0.03 3.15 2.43 -0.99 -1.85 114.38 117.31 2p5t h ARG 155 Ca 0.03 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 2p5t h ARG 155 Cb 0.67 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 2p5t h ARG 155 CO 0.05 0.20 -0.57 0.52 -1.51 0.00 0.00 179.97 178.66 2p5t h MET 156 N 0.00 0.09 -0.31 0.20 2.86 -1.33 -3.18 114.93 113.26 2p5t h MET 156 Ca -0.00 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2p5t h MET 156 Cb 0.64 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.31 2p5t h MET 156 CO 0.03 0.64 0.00 0.28 1.06 0.00 0.00 176.91 178.91 2p5t n VAL 157 N -3.88 0.40 1.90 -2.22 0.31 -0.71 -5.15 118.33 108.98 2p5t n VAL 157 Ca -0.02 -0.53 0.16 0.00 -0.01 0.00 0.00 64.34 63.94 2p5t n VAL 157 Cb 0.58 0.54 0.86 0.00 -0.91 0.00 0.00 33.84 34.91 2p5t n VAL 157 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51