#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 2.75 0.02 0.00 1.51 -1.26 -3.08 117.35 117.28 1bwe s TYR 2 Ca 0.00 -0.18 0.03 0.00 -1.01 0.00 0.00 57.07 55.91 1bwe s TYR 2 Cb 0.00 -1.30 -0.01 0.00 -0.11 0.00 0.00 41.96 40.54 1bwe s TYR 2 CO 0.00 0.55 -0.11 0.08 -1.11 0.00 0.00 175.55 174.96 1bwe s VAL 3 N -1.91 0.84 0.00 0.71 1.01 0.55 -4.19 120.40 117.40 1bwe s VAL 3 Ca 0.28 -0.71 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 1bwe s VAL 3 Cb -0.08 -0.76 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1bwe s VAL 3 CO 0.18 0.05 0.58 -0.63 0.00 0.00 0.00 175.10 175.29 1bwe s ILE 4 N -0.60 4.90 0.34 2.22 1.01 -1.26 -1.18 121.20 126.63 1bwe s ILE 4 Ca 0.01 1.21 0.04 0.00 0.00 0.00 0.00 60.65 61.91 1bwe s ILE 4 Cb -0.06 -3.91 -0.06 0.00 0.01 0.00 0.00 42.46 38.44 1bwe s ILE 4 CO 0.00 0.44 0.06 0.42 0.00 0.00 0.00 174.94 175.86 1bwe s THR 5 N -0.31 1.16 0.00 2.92 -4.23 -1.16 -4.86 115.64 109.16 1bwe s THR 5 Ca 0.30 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1bwe s THR 5 Cb -0.18 -2.76 0.00 0.00 1.34 0.00 0.00 72.50 70.90 1bwe s THR 5 CO 0.17 0.00 0.00 1.21 -0.54 0.00 0.00 174.62 175.46 1bwe n GLU 6 N -0.72 0.00 0.33 3.99 2.13 -1.26 -1.03 120.64 124.07 1bwe n GLU 6 Ca -0.03 0.00 0.21 0.00 0.66 0.00 0.00 57.16 58.00 1bwe n GLU 6 Cb 0.66 0.00 1.13 0.00 0.27 0.00 0.00 31.44 33.50 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 0.00 5.31 0.11 -1.97 0.17 132.00 135.61 1bwe h PRO 7 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1bwe h PRO 7 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1bwe h PRO 7 CO 0.00 0.00 -0.16 0.00 -0.21 0.00 0.00 178.00 177.63 1bwe n ILE 9 N -3.92 1.37 -2.75 0.00 5.41 0.04 -4.55 119.36 114.96 1bwe n ILE 9 Ca -0.02 -1.41 -0.15 0.00 1.00 0.00 0.00 62.75 62.17 1bwe n ILE 9 Cb 0.25 -2.13 0.01 0.00 -0.71 0.00 0.00 39.64 37.06 1bwe n ILE 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1bwe n GLY 10 N 5.76 2.98 3.07 7.39 0.00 -1.26 -5.02 105.19 118.11 1bwe n GLY 10 Ca 0.44 -1.72 -0.05 0.00 0.00 0.00 0.00 46.02 44.69 1bwe n GLY 10 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1bwe n THR 11 N -0.08 -5.60 0.00 2.61 5.66 -1.26 -4.24 114.28 111.38 1bwe n THR 11 Ca 0.19 0.87 0.00 0.00 -3.05 0.00 0.00 64.05 62.06 1bwe n THR 11 Cb 0.73 -4.43 0.00 0.00 -1.55 0.00 0.00 70.33 65.09 1bwe n THR 11 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1bwe n LYS 12 N 0.88 0.00 0.00 1.09 4.81 0.46 -4.87 118.16 120.53 1bwe n LYS 12 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1bwe n LYS 12 Cb 0.38 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.43 1bwe n LYS 12 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1bwe n ALA 14 N 0.00 -0.72 -0.59 0.00 0.00 -1.26 -4.94 120.51 113.00 1bwe n ALA 14 Ca 0.00 0.22 0.08 0.00 0.00 0.00 0.00 53.44 53.74 1bwe n ALA 14 Cb 0.00 -3.04 0.28 0.00 0.00 0.00 0.00 19.45 16.69 1bwe n ALA 14 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bwe n SER 15 N -1.45 4.03 -2.73 0.00 7.64 -1.26 -4.38 113.62 115.47 1bwe n SER 15 Ca -0.09 -2.46 -0.26 0.00 1.01 0.00 0.00 58.87 57.07 1bwe n SER 15 Cb 0.59 -0.47 -0.02 0.00 -1.01 0.00 0.00 64.21 63.30 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 -0.32 0.00 1.45 0.00 0.24 -1.26 -4.84 118.33 113.60 1bwe n VAL 17 Ca 0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.63 1bwe n VAL 17 Cb 0.55 -0.84 0.00 0.00 -1.47 0.00 0.00 33.84 32.08 1bwe n VAL 17 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1bwe n GLU 18 N -2.57 0.74 0.00 7.34 0.00 -1.26 -3.29 120.64 121.61 1bwe n GLU 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1bwe n GLU 18 Cb 0.34 -1.02 0.00 0.00 0.00 0.00 0.00 31.44 30.76 1bwe n GLU 18 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1bwe n VAL 19 N -0.47 0.00 -2.21 3.84 0.24 -1.26 -5.07 118.33 113.40 1bwe n VAL 19 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1bwe n VAL 19 Cb 0.01 -0.12 -0.03 0.00 -1.47 0.00 0.00 33.84 32.23 1bwe n VAL 19 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bwe h PRO 21 N 7.98 0.00 -0.43 0.00 0.13 -1.97 -3.06 132.00 134.65 1bwe h PRO 21 Ca -0.37 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.47 1bwe h PRO 21 Cb 1.17 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.91 1bwe h PRO 21 CO 0.91 0.01 -1.02 1.55 -0.23 0.00 0.00 178.00 179.22 1bwe n VAL 22 N -4.06 1.43 -3.12 1.56 3.14 -1.26 -5.03 118.33 110.99 1bwe n VAL 22 Ca -0.03 -2.99 -0.20 0.00 -2.96 0.00 0.00 64.34 58.16 1bwe n VAL 22 Cb 0.09 0.69 -0.04 0.00 -1.06 0.00 0.00 33.84 33.52 1bwe n VAL 22 CO 0.00 0.00 0.00 -0.90 -6.46 0.00 0.00 176.83 169.47 1bwe n ASP 23 N -0.52 -0.56 -1.90 6.55 5.75 -1.16 -4.78 116.55 119.93 1bwe n ASP 23 Ca 0.15 -0.63 -0.19 0.00 -0.01 0.00 0.00 54.79 54.12 1bwe n ASP 23 Cb 0.87 -0.80 0.07 0.00 -1.03 0.00 0.00 41.12 40.24 1bwe n ASP 23 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bwe s ILE 25 N -2.57 2.06 0.24 0.00 -5.25 -1.26 -0.43 121.20 114.00 1bwe s ILE 25 Ca 0.38 -0.94 0.01 0.00 -0.99 0.00 0.00 60.65 59.10 1bwe s ILE 25 Cb 0.30 -1.86 -0.04 0.00 2.95 0.00 0.00 42.46 43.81 1bwe s ILE 25 CO 0.02 0.54 0.13 -1.00 -1.79 0.00 0.00 174.94 172.84 1bwe s HIS 26 N 1.26 1.40 0.46 1.37 3.76 0.18 -4.93 115.29 118.79 1bwe s HIS 26 Ca 0.04 -1.31 0.08 0.00 -0.15 0.00 0.00 55.06 53.72 1bwe s HIS 26 Cb -0.13 -0.75 0.03 0.00 1.11 0.00 0.00 32.58 32.84 1bwe s HIS 26 CO -0.12 -0.51 0.62 -1.21 -0.85 0.00 0.00 174.74 172.66 1bwe s GLU 27 N -4.03 2.70 0.19 1.40 2.02 -1.26 0.81 118.70 120.53 1bwe s GLU 27 Ca 0.38 -1.34 0.00 0.00 0.02 0.00 0.00 54.97 54.03 1bwe s GLU 27 Cb 0.07 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.57 1bwe s GLU 27 CO 0.14 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.42 1bwe n GLY 28 N -1.93 -1.16 2.28 -1.39 0.00 -1.19 -4.80 105.19 96.99 1bwe n GLY 28 Ca 0.10 0.20 -0.17 0.00 0.00 0.00 0.00 46.02 46.15 1bwe n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bwe n GLU 29 N -2.88 1.04 -3.80 1.61 4.71 -1.26 -4.92 120.64 115.14 1bwe n GLU 29 Ca 0.00 -3.38 -0.29 0.00 -0.01 0.00 0.00 57.16 53.47 1bwe n GLU 29 Cb 0.00 -1.64 -0.03 0.00 -1.01 0.00 0.00 31.44 28.76 1bwe n GLU 29 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1bwe n ASP 30 N 0.22 -2.96 -3.76 1.62 2.03 -1.26 -4.93 116.55 107.50 1bwe n ASP 30 Ca 0.23 -0.68 -0.12 0.00 0.52 0.00 0.00 54.79 54.74 1bwe n ASP 30 Cb 0.68 -2.47 -0.08 0.00 -0.72 0.00 0.00 41.12 38.53 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 -6.46 0.79 0.74 -0.67 -2.07 -1.26 -0.41 119.66 110.32 1bwe s GLN 31 Ca 0.57 -0.47 -0.11 0.00 -1.82 0.00 0.00 55.36 53.52 1bwe s GLN 31 Cb -0.31 0.34 0.03 0.00 -1.09 0.00 0.00 33.01 31.98 1bwe s GLN 31 CO 0.69 -0.25 1.08 0.71 -1.32 0.00 0.00 175.29 176.21 1bwe s TYR 32 N -2.40 3.06 -0.19 9.60 1.51 -1.26 -3.18 117.35 124.49 1bwe s TYR 32 Ca -0.06 1.20 -0.04 0.00 -1.01 0.00 0.00 57.07 57.16 1bwe s TYR 32 Cb -0.01 -3.02 0.08 0.00 -0.11 0.00 0.00 41.96 38.89 1bwe s TYR 32 CO -0.02 -1.44 0.18 0.71 -1.11 0.00 0.00 175.55 173.86 1bwe s TYR 33 N -3.17 -0.12 0.02 2.71 2.02 0.24 -4.79 117.35 114.25 1bwe s TYR 33 Ca 0.59 0.06 -0.27 0.00 -0.37 0.00 0.00 57.07 57.09 1bwe s TYR 33 Cb -0.13 -0.46 -0.04 0.00 -0.40 0.00 0.00 41.96 40.92 1bwe s TYR 33 CO 0.54 -0.56 0.84 0.42 -1.57 0.00 0.00 175.55 175.22 1bwe s ILE 34 N 2.27 4.81 -0.35 2.71 1.01 -1.26 -0.65 121.20 129.73 1bwe s ILE 34 Ca 0.05 1.78 -0.29 0.00 0.00 0.00 0.00 60.65 62.19 1bwe s ILE 34 Cb -0.16 -4.19 0.01 0.00 0.01 0.00 0.00 42.46 38.13 1bwe s ILE 34 CO -0.11 0.27 1.33 -0.62 0.00 0.00 0.00 174.94 175.81 1bwe s ASP 35 N 0.45 6.55 0.42 3.58 -1.08 0.43 -4.79 116.67 122.23 1bwe s ASP 35 Ca 0.43 1.02 0.16 0.00 -0.52 0.00 0.00 52.55 53.65 1bwe s ASP 35 Cb -0.20 -2.54 0.92 0.00 -1.46 0.00 0.00 42.92 39.64 1bwe s ASP 35 CO 0.24 -1.22 1.91 1.55 0.52 0.00 0.00 175.17 178.18 1bwe h PRO 36 N 9.78 0.00 0.00 4.34 0.13 -1.79 0.26 132.00 144.72 1bwe h PRO 36 Ca -0.26 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.68 1bwe h PRO 36 Cb 1.10 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 1bwe h PRO 36 CO 1.06 0.27 -1.02 -0.44 -0.23 0.00 0.00 178.00 177.64 1bwe h ASP 37 N 0.00 0.00 0.60 1.44 3.32 -1.91 -3.25 116.42 116.62 1bwe h ASP 37 Ca -0.00 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.77 1bwe h ASP 37 Cb 0.51 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1bwe h ASP 37 CO 0.04 0.79 -1.47 0.58 -1.72 0.00 0.00 179.24 177.46 1bwe h VAL 38 N 0.00 1.17 -2.38 -1.35 2.07 -1.91 -3.46 116.25 110.39 1bwe h VAL 38 Ca -0.07 -2.92 -0.57 0.00 0.82 0.00 0.00 66.70 63.96 1bwe h VAL 38 Cb 1.67 2.65 0.06 0.00 -1.52 0.00 0.00 31.29 34.15 1bwe h VAL 38 CO 0.09 0.75 0.82 0.00 0.02 0.00 0.00 177.57 179.25 1bwe n ILE 40 N 3.37 3.31 -2.80 0.00 -5.35 -1.26 -4.83 119.36 111.80 1bwe n ILE 40 Ca 0.16 -2.62 -0.16 0.00 -0.27 0.00 0.00 62.75 59.86 1bwe n ILE 40 Cb 0.30 -0.82 -0.00 0.00 -1.74 0.00 0.00 39.64 37.37 1bwe n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1bwe n ASP 41 N -1.01 -3.78 0.24 7.28 8.00 -1.26 -4.86 116.55 121.16 1bwe n ASP 41 Ca 0.58 -0.02 0.12 0.00 0.71 0.00 0.00 54.79 56.18 1bwe n ASP 41 Cb 1.10 -3.18 0.55 0.00 -0.02 0.00 0.00 41.12 39.56 1bwe n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bwe n GLY 43 N 0.03 0.33 5.00 0.00 0.00 -1.26 -4.96 105.19 104.33 1bwe n GLY 43 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 9.06 0.00 -0.18 4.61 0.00 -1.26 -4.27 120.51 128.47 1bwe n ALA 44 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1bwe n ALA 44 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 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 0.00 -0.35 -0.17 0.00 4.22 -1.92 -2.13 114.58 114.24 1bwe h GLU 46 Ca 0.27 0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.76 1bwe h GLU 46 Cb 0.41 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1bwe h GLU 46 CO -0.57 -0.23 0.12 0.00 -2.18 0.00 0.00 179.01 176.14 1bwe h ALA 47 N 0.42 2.00 -0.00 2.92 0.00 -1.48 -1.18 119.26 121.94 1bwe h ALA 47 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1bwe h ALA 47 Cb 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1bwe h ALA 47 CO -0.50 -0.03 -0.27 1.33 0.00 0.00 0.00 179.25 179.78 1bwe n VAL 48 N -4.51 0.00 -2.73 0.00 0.24 -0.83 -4.66 118.33 105.85 1bwe n VAL 48 Ca 0.00 -0.04 -0.43 0.00 -2.04 0.00 0.00 64.34 61.83 1bwe n VAL 48 Cb 0.16 0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 32.56 1bwe n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bwe n PRO 50 N 7.31 1.08 0.00 0.00 -0.04 -1.26 -1.85 135.00 140.23 1bwe n PRO 50 Ca 0.09 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1bwe n PRO 50 Cb 0.48 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 1.70 0.00 -3.43 0.52 0.24 -1.26 -5.06 118.33 111.04 1bwe n VAL 51 Ca 0.07 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.15 1bwe n VAL 51 Cb 0.53 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.95 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 -0.39 -6.12 0.14 -1.34 7.64 -0.77 -4.92 113.62 107.85 1bwe n SER 52 Ca 0.00 -0.83 0.03 0.00 1.01 0.00 0.00 58.87 59.07 1bwe n SER 52 Cb 0.00 -4.43 0.04 0.00 -1.01 0.00 0.00 64.21 58.81 1bwe n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwe h ALA 53 N 0.31 0.69 -2.09 -0.43 0.00 -1.90 -3.43 119.26 112.41 1bwe h ALA 53 Ca -0.63 -0.45 -0.56 0.00 0.00 0.00 0.00 54.91 53.27 1bwe h ALA 53 Cb 1.33 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1bwe h ALA 53 CO 0.45 0.62 1.01 0.42 0.00 0.00 0.00 179.25 181.75 1bwe s ILE 54 N -2.99 3.99 0.26 0.00 1.01 -1.26 -3.01 121.20 119.19 1bwe s ILE 54 Ca 0.04 1.16 0.05 0.00 0.00 0.00 0.00 60.65 61.90 1bwe s ILE 54 Cb 0.08 -3.88 -0.06 0.00 0.01 0.00 0.00 42.46 38.61 1bwe s ILE 54 CO 0.74 -0.25 -0.04 -0.31 0.00 0.00 0.00 174.94 175.09 1bwe s TYR 55 N 4.23 1.80 0.50 3.97 2.02 -0.32 -4.92 117.35 124.63 1bwe s TYR 55 Ca 0.62 -0.79 -0.20 0.00 -0.37 0.00 0.00 57.07 56.33 1bwe s TYR 55 Cb -0.23 -1.04 -0.08 0.00 -0.40 0.00 0.00 41.96 40.21 1bwe s TYR 55 CO 0.23 0.15 1.05 -1.58 -1.57 0.00 0.00 175.55 173.83 1bwe s HIS 56 N -3.17 2.95 0.28 2.71 2.46 -1.26 -0.33 115.29 118.92 1bwe s HIS 56 Ca 0.29 1.57 0.00 0.00 0.47 0.00 0.00 55.06 57.39 1bwe s HIS 56 Cb 0.05 -3.09 0.53 0.00 -0.13 0.00 0.00 32.58 29.93 1bwe s HIS 56 CO 0.11 -0.93 1.83 0.93 -2.47 0.00 0.00 174.74 174.20 1bwe h GLU 57 N 1.47 0.93 0.00 2.88 5.08 -1.89 0.21 114.58 123.27 1bwe h GLU 57 Ca -0.49 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 57.77 1bwe h GLU 57 Cb 1.23 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1bwe h GLU 57 CO 0.59 0.62 -0.21 0.38 -1.00 0.00 0.00 179.01 179.39 1bwe h ASP 58 N 0.96 0.00 -0.03 1.42 2.03 -1.92 -3.09 116.42 115.79 1bwe h ASP 58 Ca 0.48 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.66 1bwe h ASP 58 Cb 0.47 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.98 1bwe h ASP 58 CO -0.26 0.21 -0.44 -0.26 -1.03 0.00 0.00 179.24 177.46 1bwe h PHE 59 N 0.00 0.50 -1.93 4.15 -1.00 -0.99 -3.45 116.94 114.21 1bwe h PHE 59 Ca -0.00 -0.25 -0.64 0.00 2.81 0.00 0.00 57.97 59.88 1bwe h PHE 59 Cb 0.66 -0.07 0.03 0.00 3.61 0.00 0.00 35.95 40.19 1bwe h PHE 59 CO 0.00 1.04 0.90 0.28 -1.61 0.00 0.00 178.31 178.92 1bwe n VAL 60 N -4.34 0.31 -1.66 -0.55 0.31 -0.53 -4.91 118.33 106.96 1bwe n VAL 60 Ca -0.09 -0.06 -0.38 0.00 -0.01 0.00 0.00 64.34 63.80 1bwe n VAL 60 Cb 0.58 -1.51 0.06 0.00 -0.91 0.00 0.00 33.84 32.05 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 5.07 1.03 -0.31 5.55 -0.02 -1.26 -4.63 135.00 140.43 1bwe n PRO 61 Ca 0.22 0.40 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 1bwe n PRO 61 Cb 0.24 -2.31 0.27 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.60 0.07 -0.99 -0.52 3.07 -1.96 0.38 114.58 115.23 1bwe h GLU 62 Ca -0.49 -0.00 0.28 0.00 -0.50 0.00 0.00 59.36 58.64 1bwe h GLU 62 Cb 1.35 -0.01 -0.14 0.00 -0.84 0.00 0.00 28.75 29.11 1bwe h GLU 62 CO 0.52 0.04 0.55 0.93 -1.40 0.00 0.00 179.01 179.65 1bwe h GLU 63 N 0.07 0.42 -0.41 2.33 3.07 -2.02 -1.04 114.58 116.99 1bwe h GLU 63 Ca 0.55 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1bwe h GLU 63 Cb 1.12 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1bwe h GLU 63 CO -0.81 0.28 0.00 0.91 -1.40 0.00 0.00 179.01 177.98 1bwe n TRP 64 N -4.99 0.54 0.20 4.33 8.01 0.11 -4.36 117.44 121.29 1bwe n TRP 64 Ca 0.29 -0.39 0.15 0.00 -1.31 0.00 0.00 57.50 56.24 1bwe n TRP 64 Cb 0.85 -0.01 0.78 0.00 -2.01 0.00 0.00 31.31 30.91 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 3.10 0.00 -0.79 -0.99 6.56 0.40 0.14 116.57 124.98 1bwe h LYS 65 Ca 0.00 0.00 0.17 0.00 -1.06 0.00 0.00 60.65 59.76 1bwe h LYS 65 Cb 0.81 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 32.36 1bwe h LYS 65 CO 0.00 0.00 0.27 0.66 -2.06 0.00 0.00 179.45 178.32 1bwe h SER 66 N 0.00 0.16 0.13 0.86 4.64 -1.76 -0.84 113.55 116.74 1bwe h SER 66 Ca 0.07 0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 61.44 1bwe h SER 66 Cb 0.35 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1bwe h SER 66 CO -0.00 0.00 -0.34 1.88 -0.87 0.00 0.00 176.83 177.51 1bwe h TYR 67 N 0.35 0.35 -0.17 4.77 0.05 -1.03 0.14 116.97 121.42 1bwe h TYR 67 Ca 0.46 -0.08 -0.00 0.00 0.05 0.00 0.00 58.73 59.16 1bwe h TYR 67 Cb 0.80 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.44 1bwe h TYR 67 CO -0.21 0.61 0.10 0.82 -1.05 0.00 0.00 178.16 178.44 1bwe h ILE 68 N 0.27 1.08 -0.30 -2.88 2.04 -1.17 0.25 117.51 116.80 1bwe h ILE 68 Ca 0.03 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.76 1bwe h ILE 68 Cb 0.73 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 1bwe h ILE 68 CO 0.06 0.08 -0.11 -0.61 0.00 0.00 0.00 178.15 177.56 1bwe h GLN 69 N 0.20 -0.05 -0.56 2.37 5.75 -1.01 0.49 115.11 122.30 1bwe h GLN 69 Ca 0.06 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.54 1bwe h GLN 69 Cb 0.03 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 1bwe h GLN 69 CO -0.01 -0.03 0.25 -0.22 -2.65 0.00 0.00 178.83 176.17 1bwe h LYS 70 N -0.05 0.82 -0.61 1.69 1.63 -0.42 0.10 116.57 119.74 1bwe h LYS 70 Ca 0.15 -0.13 0.03 0.00 -0.85 0.00 0.00 60.65 59.84 1bwe h LYS 70 Cb 0.28 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.73 1bwe h LYS 70 CO -0.34 0.69 0.38 -0.91 -3.45 0.00 0.00 179.45 175.82 1bwe h ASN 71 N 0.76 0.62 0.53 4.20 2.35 -0.25 0.44 115.58 124.23 1bwe h ASN 71 Ca 0.19 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1bwe h ASN 71 Cb 0.16 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1bwe h ASN 71 CO -0.02 0.43 -0.28 -0.09 -1.65 0.00 0.00 177.43 175.83 1bwe h ARG 72 N 0.75 -0.72 -0.42 0.81 2.43 -0.34 -3.31 114.38 113.59 1bwe h ARG 72 Ca 0.25 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1bwe h ARG 72 Cb 0.02 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1bwe h ARG 72 CO -0.10 -0.48 0.26 0.22 -1.51 0.00 0.00 179.97 178.36 1bwe h ASP 73 N -0.74 0.49 -0.75 -3.80 3.58 -0.62 -3.33 116.42 111.26 1bwe h ASP 73 Ca -0.07 -0.05 0.15 0.00 0.42 0.00 0.00 57.03 57.48 1bwe h ASP 73 Cb 0.58 -0.12 -0.14 0.00 1.72 0.00 0.00 39.33 41.37 1bwe h ASP 73 CO 0.10 0.39 -0.20 0.49 -2.88 0.00 0.00 179.24 177.14 1bwe n PHE 74 N -4.77 0.23 0.26 0.28 3.72 0.13 -0.32 117.46 117.00 1bwe n PHE 74 Ca 0.01 0.92 0.09 0.00 -0.05 0.00 0.00 57.45 58.41 1bwe n PHE 74 Cb 0.05 -0.91 0.15 0.00 -0.94 0.00 0.00 39.48 37.83 1bwe n PHE 74 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1bwe n PHE 75 N -5.21 0.34 -3.31 1.38 3.72 -1.25 -4.73 117.46 108.41 1bwe n PHE 75 Ca 0.11 -0.23 -0.37 0.00 -0.05 0.00 0.00 57.45 56.91 1bwe n PHE 75 Cb 0.36 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.86 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 1.06 3.41 0.00 -1.08 4.01 0.56 -5.19 118.16 120.92 1bwe n LYS 76 Ca 0.14 -4.56 0.00 0.00 -0.51 0.00 0.00 58.31 53.38 1bwe n LYS 76 Cb 0.48 -2.42 0.00 0.00 -0.51 0.00 0.00 35.03 32.59 1bwe n LYS 76 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65