#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bwe s TYR 2 N 0.00 3.58 -0.01 0.00 1.51 -1.26 -1.56 117.35 119.61 1bwe s TYR 2 Ca 0.00 0.72 0.02 0.00 -1.01 0.00 0.00 57.07 56.80 1bwe s TYR 2 Cb 0.00 -2.24 -0.00 0.00 -0.11 0.00 0.00 41.96 39.61 1bwe s TYR 2 CO 0.00 0.48 -0.07 0.08 -1.11 0.00 0.00 175.55 174.93 1bwe s VAL 3 N -0.37 0.54 0.98 0.71 1.01 0.59 -4.73 120.40 119.14 1bwe s VAL 3 Ca 0.19 -0.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1bwe s VAL 3 Cb -0.14 -0.47 0.18 0.00 0.00 0.00 0.00 36.38 35.95 1bwe s VAL 3 CO 0.07 0.16 1.11 0.27 0.00 0.00 0.00 175.10 176.71 1bwe s ILE 4 N -0.09 2.00 0.00 2.22 -0.00 -1.26 -2.05 121.20 122.02 1bwe s ILE 4 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.67 1bwe s ILE 4 Cb -0.03 -2.57 0.00 0.00 -0.00 0.00 0.00 42.46 39.85 1bwe s ILE 4 CO -0.00 0.00 0.00 0.35 -0.00 0.00 0.00 174.94 175.29 1bwe n THR 5 N -4.07 0.00 0.02 8.37 -2.24 -1.25 -4.80 114.28 110.31 1bwe n THR 5 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1bwe n THR 5 Cb 0.58 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1bwe n THR 5 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1bwe n GLU 6 N 0.00 0.00 0.27 -0.78 2.13 -1.26 -4.64 120.64 116.36 1bwe n GLU 6 Ca 0.00 0.00 0.18 0.00 0.66 0.00 0.00 57.16 58.00 1bwe n GLU 6 Cb 0.00 -0.48 0.94 0.00 0.27 0.00 0.00 31.44 32.17 1bwe n GLU 6 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 1bwe h PRO 7 N 0.00 0.00 -0.99 5.31 0.11 -2.00 0.06 132.00 134.49 1bwe h PRO 7 Ca 0.00 0.00 0.15 0.00 0.11 0.00 0.00 66.00 66.26 1bwe h PRO 7 Cb 0.54 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.56 1bwe h PRO 7 CO 0.00 0.00 0.62 0.00 -0.21 0.00 0.00 178.00 178.41 1bwe s ILE 9 N -5.88 3.30 0.00 0.00 1.09 0.01 -4.89 121.20 114.82 1bwe s ILE 9 Ca -0.11 0.73 0.00 0.00 -1.10 0.00 0.00 60.65 60.17 1bwe s ILE 9 Cb 0.23 -3.47 0.00 0.00 -1.06 0.00 0.00 42.46 38.16 1bwe s ILE 9 CO 0.80 -0.00 0.00 0.61 -0.10 0.00 0.00 174.94 176.25 1bwe n GLY 10 N 3.85 3.81 2.63 6.18 0.00 -1.26 -5.06 105.19 115.34 1bwe n GLY 10 Ca 0.15 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1bwe n GLY 10 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bwe n THR 11 N 0.00 4.78 -3.11 2.61 -2.24 -1.26 -4.63 114.28 110.43 1bwe n THR 11 Ca 0.00 -4.22 -0.06 0.00 -2.27 0.00 0.00 64.05 57.50 1bwe n THR 11 Cb 0.00 -2.24 0.00 0.00 -2.10 0.00 0.00 70.33 66.00 1bwe n THR 11 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1bwe n LYS 12 N 2.80 -1.63 -2.23 -0.78 3.00 -1.26 -4.96 118.16 113.11 1bwe n LYS 12 Ca 0.54 1.57 -0.37 0.00 -0.00 0.00 0.00 58.31 60.05 1bwe n LYS 12 Cb 0.30 -5.21 -0.00 0.00 0.00 0.00 0.00 35.03 30.11 1bwe n LYS 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bwe s ALA 14 N -1.57 -0.41 0.17 0.00 0.00 -1.26 -4.92 121.76 113.77 1bwe s ALA 14 Ca 0.66 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1bwe s ALA 14 Cb -0.29 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 20.78 1bwe s ALA 14 CO 0.34 -2.15 0.00 0.43 0.00 0.00 0.00 175.76 174.38 1bwe n SER 15 N 4.20 -0.55 -3.69 0.00 7.64 -1.26 -4.93 113.62 115.02 1bwe n SER 15 Ca 0.12 0.31 -0.43 0.00 1.01 0.00 0.00 58.87 59.88 1bwe n SER 15 Cb 0.45 0.66 -0.05 0.00 -1.01 0.00 0.00 64.21 64.27 1bwe n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwe n VAL 17 N 5.93 0.00 0.40 0.00 0.31 -1.26 -4.85 118.33 118.86 1bwe n VAL 17 Ca 0.50 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.84 1bwe n VAL 17 Cb 0.41 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.38 1bwe n VAL 17 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1bwe n GLU 18 N 0.00 0.20 0.11 5.55 0.28 -1.26 -2.07 120.64 123.45 1bwe n GLU 18 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.01 1bwe n GLU 18 Cb 0.00 -1.13 -0.01 0.00 1.43 0.00 0.00 31.44 31.74 1bwe n GLU 18 CO 0.00 0.00 0.00 -0.39 -0.16 0.00 0.00 177.13 176.58 1bwe h VAL 19 N 0.00 0.82 -2.89 3.84 -1.51 -1.93 -3.46 116.25 111.12 1bwe h VAL 19 Ca 0.00 -2.22 -0.54 0.00 -1.23 0.00 0.00 66.70 62.71 1bwe h VAL 19 Cb 0.00 2.35 0.01 0.00 -2.13 0.00 0.00 31.29 31.52 1bwe h VAL 19 CO 0.00 0.47 0.84 0.00 -1.23 0.00 0.00 177.57 177.65 1bwe h PRO 21 N 7.72 0.13 0.00 0.00 0.11 -1.92 -1.79 132.00 136.24 1bwe h PRO 21 Ca -0.40 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.69 1bwe h PRO 21 Cb 1.19 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1bwe h PRO 21 CO 0.90 0.09 -0.35 1.33 -0.21 0.00 0.00 178.00 179.75 1bwe n VAL 22 N -4.95 1.59 -4.00 3.15 0.24 -1.26 -5.04 118.33 108.05 1bwe n VAL 22 Ca 0.36 -2.23 -0.41 0.00 -2.04 0.00 0.00 64.34 60.02 1bwe n VAL 22 Cb 1.26 -0.02 0.01 0.00 -1.47 0.00 0.00 33.84 33.62 1bwe n VAL 22 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bwe n ASP 23 N -0.95 -4.11 -2.61 -1.34 2.03 -0.68 -4.90 116.55 103.99 1bwe n ASP 23 Ca 0.14 -1.19 -0.23 0.00 0.52 0.00 0.00 54.79 54.03 1bwe n ASP 23 Cb 0.72 -1.53 -0.00 0.00 -0.72 0.00 0.00 41.12 39.59 1bwe n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bwe s ILE 25 N -4.74 1.15 -0.01 0.00 -5.25 -1.26 -0.54 121.20 110.55 1bwe s ILE 25 Ca 0.43 -0.45 0.00 0.00 -0.99 0.00 0.00 60.65 59.64 1bwe s ILE 25 Cb 0.39 -1.07 0.02 0.00 2.95 0.00 0.00 42.46 44.75 1bwe s ILE 25 CO -0.13 0.37 0.02 -1.00 -1.79 0.00 0.00 174.94 172.41 1bwe s HIS 26 N 0.92 0.03 0.38 1.37 3.76 0.51 -4.86 115.29 117.40 1bwe s HIS 26 Ca -0.10 0.08 -0.24 0.00 -0.15 0.00 0.00 55.06 54.66 1bwe s HIS 26 Cb -0.15 -0.16 -0.10 0.00 1.11 0.00 0.00 32.58 33.28 1bwe s HIS 26 CO 0.01 -0.06 0.96 -1.21 -0.85 0.00 0.00 174.74 173.58 1bwe s GLU 27 N 0.71 4.39 -0.05 1.40 2.02 -1.26 0.22 118.70 126.12 1bwe s GLU 27 Ca -0.06 1.27 -0.03 0.00 0.02 0.00 0.00 54.97 56.17 1bwe s GLU 27 Cb -0.09 -2.52 -0.02 0.00 0.10 0.00 0.00 34.13 31.61 1bwe s GLU 27 CO -0.02 0.10 -0.07 0.41 0.02 0.00 0.00 175.26 175.70 1bwe n GLY 28 N 0.05 -0.09 1.75 -1.39 0.00 -1.24 -4.93 105.19 99.34 1bwe n GLY 28 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1bwe n GLY 28 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bwe n GLU 29 N -3.24 0.00 0.00 1.61 0.00 -1.26 -5.03 120.64 112.72 1bwe n GLU 29 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.06 1bwe n GLU 29 Cb 0.57 -0.13 0.00 0.00 0.00 0.00 0.00 31.44 31.88 1bwe n GLU 29 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1bwe n ASP 30 N -3.04 0.00 -4.74 -1.84 2.03 -1.26 -5.02 116.55 102.68 1bwe n ASP 30 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 1bwe n ASP 30 Cb 0.07 0.03 -0.05 0.00 -0.72 0.00 0.00 41.12 40.45 1bwe n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bwe s GLN 31 N -1.97 4.75 -0.62 -0.67 -2.07 -1.26 -4.52 119.66 113.30 1bwe s GLN 31 Ca 0.00 1.52 -0.27 0.00 -1.82 0.00 0.00 55.36 54.79 1bwe s GLN 31 Cb 0.00 -3.31 0.01 0.00 -1.09 0.00 0.00 33.01 28.62 1bwe s GLN 31 CO 0.00 0.33 1.52 0.71 -1.32 0.00 0.00 175.29 176.53 1bwe s TYR 32 N -0.63 2.08 -0.20 9.60 1.51 -1.26 -3.70 117.35 124.76 1bwe s TYR 32 Ca 0.44 0.41 -0.29 0.00 -1.01 0.00 0.00 57.07 56.63 1bwe s TYR 32 Cb -0.26 -4.36 -0.04 0.00 -0.11 0.00 0.00 41.96 37.18 1bwe s TYR 32 CO 0.32 -2.14 1.91 0.71 -1.11 0.00 0.00 175.55 175.24 1bwe s TYR 33 N 6.90 1.60 0.04 2.71 2.02 0.13 -4.52 117.35 126.24 1bwe s TYR 33 Ca 0.52 0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 57.30 1bwe s TYR 33 Cb -0.11 -4.04 -0.04 0.00 -0.40 0.00 0.00 41.96 37.37 1bwe s TYR 33 CO 0.21 -3.77 1.03 0.42 -1.57 0.00 0.00 175.55 171.86 1bwe s ILE 34 N 6.39 4.60 -0.09 2.71 1.01 -1.26 -0.36 121.20 134.19 1bwe s ILE 34 Ca 0.85 1.92 -0.30 0.00 0.00 0.00 0.00 60.65 63.13 1bwe s ILE 34 Cb -0.30 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 1bwe s ILE 34 CO 0.34 0.18 1.56 -0.62 0.00 0.00 0.00 174.94 176.40 1bwe s ASP 35 N 0.82 6.72 0.35 3.58 -1.08 0.30 -4.90 116.67 122.45 1bwe s ASP 35 Ca 0.52 2.06 0.17 0.00 -0.52 0.00 0.00 52.55 54.79 1bwe s ASP 35 Cb -0.23 -2.53 0.59 0.00 -1.46 0.00 0.00 42.92 39.29 1bwe s ASP 35 CO 0.29 -0.91 1.70 1.55 0.52 0.00 0.00 175.17 178.32 1bwe h PRO 36 N 9.29 0.00 -0.10 4.34 0.13 -1.90 0.21 132.00 143.97 1bwe h PRO 36 Ca -0.36 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.60 1bwe h PRO 36 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 1bwe h PRO 36 CO 0.96 0.43 -0.61 -0.44 -0.23 0.00 0.00 178.00 178.12 1bwe h ASP 37 N 0.00 0.70 0.45 1.44 5.19 -1.96 -3.37 116.42 118.87 1bwe h ASP 37 Ca -0.00 -0.66 -0.30 0.00 -0.62 0.00 0.00 57.03 55.45 1bwe h ASP 37 Cb 0.95 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 40.22 1bwe h ASP 37 CO 0.06 1.25 -1.68 0.58 -3.12 0.00 0.00 179.24 176.33 1bwe h VAL 38 N 0.21 0.93 -2.32 -1.35 2.07 -1.93 -3.45 116.25 110.41 1bwe h VAL 38 Ca -0.05 -2.70 -0.55 0.00 0.82 0.00 0.00 66.70 64.22 1bwe h VAL 38 Cb 1.25 2.54 0.01 0.00 -1.52 0.00 0.00 31.29 33.58 1bwe h VAL 38 CO 0.12 0.68 1.28 0.00 0.02 0.00 0.00 177.57 179.68 1bwe n ILE 40 N 6.22 1.87 -4.18 0.00 -5.35 -1.26 -4.58 119.36 112.08 1bwe n ILE 40 Ca 0.22 -0.64 -0.29 0.00 -0.27 0.00 0.00 62.75 61.78 1bwe n ILE 40 Cb 0.43 -1.21 -0.07 0.00 -1.74 0.00 0.00 39.64 37.05 1bwe n ILE 40 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1bwe n ASP 41 N 0.73 0.36 -1.61 7.28 2.03 -1.26 -4.99 116.55 119.09 1bwe n ASP 41 Ca 0.10 -1.17 0.00 0.00 0.52 0.00 0.00 54.79 54.24 1bwe n ASP 41 Cb 0.60 -2.19 0.00 0.00 -0.72 0.00 0.00 41.12 38.81 1bwe n ASP 41 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bwe n GLY 43 N 5.00 1.39 5.00 0.00 0.00 -1.26 -4.87 105.19 110.45 1bwe n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bwe n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bwe n ALA 44 N -3.00 0.00 -0.15 4.61 0.00 -1.26 -4.29 120.51 116.42 1bwe n ALA 44 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1bwe n ALA 44 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 1bwe n ALA 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bwe h GLU 46 N 0.39 0.53 -0.17 0.00 -0.00 -1.89 0.35 114.58 113.80 1bwe h GLU 46 Ca 0.21 -0.03 -0.14 0.00 -0.00 0.00 0.00 59.36 59.39 1bwe h GLU 46 Cb 0.17 -0.12 -0.01 0.00 -0.00 0.00 0.00 28.75 28.79 1bwe h GLU 46 CO -0.18 0.35 -0.50 0.00 -0.00 0.00 0.00 179.01 178.68 1bwe h ALA 47 N 1.36 0.81 -0.37 1.06 0.00 -1.77 -3.22 119.26 117.13 1bwe h ALA 47 Ca 0.29 -0.48 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1bwe h ALA 47 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1bwe h ALA 47 CO -0.22 0.67 -0.30 0.28 0.00 0.00 0.00 179.25 179.68 1bwe h VAL 48 N 0.37 1.28 -2.15 0.00 2.07 0.23 -3.41 116.25 114.65 1bwe h VAL 48 Ca 0.02 -1.45 -0.56 0.00 0.82 0.00 0.00 66.70 65.52 1bwe h VAL 48 Cb 1.01 1.31 0.01 0.00 -1.52 0.00 0.00 31.29 32.10 1bwe h VAL 48 CO 0.09 0.48 1.38 0.00 0.02 0.00 0.00 177.57 179.54 1bwe n PRO 50 N 8.19 0.67 0.00 0.00 -0.04 -1.26 -0.98 135.00 141.58 1bwe n PRO 50 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1bwe n PRO 50 Cb 0.43 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1bwe n PRO 50 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1bwe n VAL 51 N 0.09 0.00 -3.57 0.52 0.24 -1.26 -5.07 118.33 109.29 1bwe n VAL 51 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.04 1bwe n VAL 51 Cb 0.15 -0.10 0.05 0.00 -1.47 0.00 0.00 33.84 32.46 1bwe n VAL 51 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1bwe n SER 52 N -0.79 -5.02 0.05 -1.34 7.64 -0.15 -4.92 113.62 109.09 1bwe n SER 52 Ca 0.00 -0.91 0.13 0.00 1.01 0.00 0.00 58.87 59.10 1bwe n SER 52 Cb 0.09 -3.97 0.39 0.00 -1.01 0.00 0.00 64.21 59.70 1bwe n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwe n ALA 53 N -3.94 2.67 -2.70 -0.43 0.00 -1.26 -4.81 120.51 110.04 1bwe n ALA 53 Ca -0.12 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 1bwe n ALA 53 Cb 0.61 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 1bwe n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bwe s ILE 54 N -3.07 4.89 0.25 0.00 1.01 -1.26 -3.92 121.20 119.10 1bwe s ILE 54 Ca 0.11 1.89 0.01 0.00 0.00 0.00 0.00 60.65 62.65 1bwe s ILE 54 Cb 0.15 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1bwe s ILE 54 CO 0.62 0.14 0.11 -0.31 0.00 0.00 0.00 174.94 175.50 1bwe s TYR 55 N 1.27 1.45 0.46 3.97 2.02 -0.87 -4.85 117.35 120.79 1bwe s TYR 55 Ca 0.47 -1.25 -0.25 0.00 -0.37 0.00 0.00 57.07 55.67 1bwe s TYR 55 Cb -0.19 -0.81 -0.08 0.00 -0.40 0.00 0.00 41.96 40.48 1bwe s TYR 55 CO 0.22 -0.44 1.35 1.58 -1.57 0.00 0.00 175.55 176.70 1bwe n HIS 56 N -0.43 2.38 -0.34 2.71 -0.00 -1.26 -0.30 115.22 117.98 1bwe n HIS 56 Ca 0.01 0.46 0.12 0.00 0.46 0.00 0.00 57.72 58.77 1bwe n HIS 56 Cb 0.66 -2.41 0.31 0.00 -0.12 0.00 0.00 29.99 28.43 1bwe n HIS 56 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 1bwe h GLU 57 N 2.05 0.71 0.00 1.57 4.11 -1.60 0.31 114.58 121.73 1bwe h GLU 57 Ca -0.50 -0.04 -0.10 0.00 0.07 0.00 0.00 59.36 58.79 1bwe h GLU 57 Cb 1.29 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1bwe h GLU 57 CO 0.60 0.47 -0.48 0.22 0.07 0.00 0.00 179.01 179.89 1bwe h ASP 58 N 0.73 0.00 0.61 3.06 3.58 -1.90 -3.06 116.42 119.45 1bwe h ASP 58 Ca 0.56 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.91 1bwe h ASP 58 Cb 0.87 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.90 1bwe h ASP 58 CO -0.39 0.48 -0.49 -0.26 -2.88 0.00 0.00 179.24 175.70 1bwe h PHE 59 N 0.00 0.00 -2.40 0.28 -1.00 -0.77 -3.42 116.94 109.64 1bwe h PHE 59 Ca -0.00 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 60.23 1bwe h PHE 59 Cb 1.10 0.00 0.04 0.00 3.61 0.00 0.00 35.95 40.70 1bwe h PHE 59 CO 0.00 0.49 1.09 0.28 -1.61 0.00 0.00 178.31 178.56 1bwe n VAL 60 N -3.80 0.39 -1.68 -0.55 0.31 -0.52 -4.95 118.33 107.54 1bwe n VAL 60 Ca -0.01 -0.07 -0.38 0.00 -0.01 0.00 0.00 64.34 63.87 1bwe n VAL 60 Cb 0.53 -2.05 0.06 0.00 -0.91 0.00 0.00 33.84 31.47 1bwe n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1bwe n PRO 61 N 5.71 1.12 -0.30 5.55 -0.02 -1.26 -4.52 135.00 141.28 1bwe n PRO 61 Ca 0.19 0.43 0.14 0.00 -2.02 0.00 0.00 63.50 62.24 1bwe n PRO 61 Cb 0.36 -2.39 0.30 0.00 -0.02 0.00 0.00 33.50 31.74 1bwe n PRO 61 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1bwe h GLU 62 N 0.67 0.14 -1.01 -0.52 3.07 -1.92 0.42 114.58 115.43 1bwe h GLU 62 Ca -0.50 -0.01 0.26 0.00 -0.50 0.00 0.00 59.36 58.61 1bwe h GLU 62 Cb 1.34 -0.03 -0.13 0.00 -0.84 0.00 0.00 28.75 29.10 1bwe h GLU 62 CO 0.53 0.10 0.60 0.93 -1.40 0.00 0.00 179.01 179.76 1bwe h GLU 63 N 0.15 0.53 -0.02 2.33 3.07 -2.03 -1.95 114.58 116.66 1bwe h GLU 63 Ca 0.57 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1bwe h GLU 63 Cb 1.17 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 1bwe h GLU 63 CO -0.72 0.35 -0.10 0.91 -1.40 0.00 0.00 179.01 178.05 1bwe n TRP 64 N -4.89 0.00 0.29 4.33 8.01 0.12 -4.24 117.44 121.05 1bwe n TRP 64 Ca 0.28 0.00 0.19 0.00 -1.31 0.00 0.00 57.50 56.65 1bwe n TRP 64 Cb 0.78 0.00 0.99 0.00 -2.01 0.00 0.00 31.31 31.07 1bwe n TRP 64 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 1bwe h LYS 65 N 2.87 0.00 -0.75 -0.99 1.79 0.19 0.13 116.57 119.82 1bwe h LYS 65 Ca 0.00 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.64 1bwe h LYS 65 Cb 0.66 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.19 1bwe h LYS 65 CO 0.00 0.00 0.12 0.66 -1.08 0.00 0.00 179.45 179.15 1bwe h SER 66 N 0.00 -0.12 -0.28 0.86 4.64 -1.74 0.13 113.55 117.05 1bwe h SER 66 Ca 0.03 0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.46 1bwe h SER 66 Cb 0.27 0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1bwe h SER 66 CO -0.00 -0.10 0.00 1.88 -0.87 0.00 0.00 176.83 177.74 1bwe h TYR 67 N 0.20 0.63 -0.42 4.77 0.05 -1.05 0.53 116.97 121.68 1bwe h TYR 67 Ca 0.42 -0.07 -0.10 0.00 0.05 0.00 0.00 58.73 59.04 1bwe h TYR 67 Cb 0.75 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.29 1bwe h TYR 67 CO -0.32 0.61 -0.13 0.82 -1.05 0.00 0.00 178.16 178.09 1bwe h ILE 68 N 0.57 1.26 -0.26 -2.88 5.03 -0.88 0.27 117.51 120.63 1bwe h ILE 68 Ca 0.12 -1.19 -0.01 0.00 -0.12 0.00 0.00 64.86 63.66 1bwe h ILE 68 Cb 0.36 1.07 -0.01 0.00 -3.03 0.00 0.00 36.82 35.21 1bwe h ILE 68 CO 0.01 0.40 0.12 -0.61 -0.68 0.00 0.00 178.15 177.39 1bwe h GLN 69 N 0.69 0.38 -0.09 2.37 5.75 -0.38 -0.79 115.11 123.04 1bwe h GLN 69 Ca 0.11 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1bwe h GLN 69 Cb 0.61 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.08 1bwe h GLN 69 CO 0.04 0.39 0.04 -0.22 -2.65 0.00 0.00 178.83 176.43 1bwe h LYS 70 N 0.28 0.09 -0.86 1.69 1.63 -0.10 0.12 116.57 119.41 1bwe h LYS 70 Ca 0.09 -0.01 0.23 0.00 -0.85 0.00 0.00 60.65 60.11 1bwe h LYS 70 Cb 0.14 -0.02 -0.14 0.00 -0.60 0.00 0.00 32.23 31.61 1bwe h LYS 70 CO -0.01 0.06 0.22 -0.97 -3.45 0.00 0.00 179.45 175.30 1bwe h ASN 71 N 0.09 -0.01 0.76 4.20 -0.73 -0.49 -0.42 115.58 118.98 1bwe h ASN 71 Ca 0.04 0.19 -0.04 0.00 1.87 0.00 0.00 56.30 58.36 1bwe h ASN 71 Cb 0.01 0.26 0.01 0.00 0.27 0.00 0.00 38.32 38.87 1bwe h ASN 71 CO -0.03 -0.15 -0.37 -0.09 -0.37 0.00 0.00 177.43 176.43 1bwe h ARG 72 N 0.21 -0.98 -0.74 6.67 9.65 0.48 -3.30 114.38 126.37 1bwe h ARG 72 Ca 0.54 0.07 0.14 0.00 -1.10 0.00 0.00 59.98 59.62 1bwe h ARG 72 Cb 1.06 0.22 -0.09 0.00 -1.39 0.00 0.00 29.97 29.77 1bwe h ARG 72 CO -0.64 -0.65 0.29 0.22 2.80 0.00 0.00 179.97 181.99 1bwe h ASP 73 N -1.24 0.27 -0.96 -3.80 3.58 -0.37 0.01 116.42 113.92 1bwe h ASP 73 Ca -0.10 0.11 0.30 0.00 0.42 0.00 0.00 57.03 57.76 1bwe h ASP 73 Cb 0.79 0.09 -0.16 0.00 1.72 0.00 0.00 39.33 41.77 1bwe h ASP 73 CO 0.17 0.10 0.34 -0.26 -2.88 0.00 0.00 179.24 176.72 1bwe h PHE 74 N 0.44 0.52 -0.13 0.28 0.04 -1.16 -1.26 116.94 115.66 1bwe h PHE 74 Ca 0.41 0.05 0.00 0.00 2.80 0.00 0.00 57.97 61.23 1bwe h PHE 74 Cb 0.61 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1bwe h PHE 74 CO -0.17 -0.30 0.00 1.19 -0.60 0.00 0.00 178.31 178.43 1bwe n PHE 75 N -5.24 0.47 -3.74 -0.55 3.72 -0.09 -4.68 117.46 107.35 1bwe n PHE 75 Ca 0.28 -0.93 -0.28 0.00 -0.05 0.00 0.00 57.45 56.47 1bwe n PHE 75 Cb 0.90 -0.23 -0.11 0.00 -0.94 0.00 0.00 39.48 39.10 1bwe n PHE 75 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1bwe n LYS 76 N -0.95 1.74 0.00 -1.08 4.01 -0.48 -5.05 118.16 116.36 1bwe n LYS 76 Ca 0.18 -4.34 0.00 0.00 -0.51 0.00 0.00 58.31 53.64 1bwe n LYS 76 Cb 0.76 -2.18 0.00 0.00 -0.51 0.00 0.00 35.03 33.10 1bwe n LYS 76 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46