#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 2.74 0.03 0.00 2.02 -1.26 -3.28 117.35 117.59 1bwe s TYR 2 Ca 0.00 -0.13 0.04 0.00 -0.37 0.00 0.00 57.07 56.61 1bwe s TYR 2 Cb 0.00 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 1bwe s TYR 2 CO 0.00 0.26 -0.13 0.08 -1.57 0.00 0.00 175.55 174.19 1bwe s VAL 3 N -0.84 1.04 0.83 0.71 1.01 0.98 -4.68 120.40 119.45 1bwe s VAL 3 Ca 0.14 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 1bwe s VAL 3 Cb -0.11 -0.93 0.09 0.00 0.00 0.00 0.00 36.38 35.43 1bwe s VAL 3 CO 0.03 0.06 1.10 0.27 0.00 0.00 0.00 175.10 176.56 1bwe s ILE 4 N -0.72 2.97 0.15 2.22 -5.25 -1.26 -1.53 121.20 117.78 1bwe s ILE 4 Ca 0.02 0.32 -0.11 0.00 -0.99 0.00 0.00 60.65 59.89 1bwe s ILE 4 Cb -0.07 -2.74 0.00 0.00 2.95 0.00 0.00 42.46 42.60 1bwe s ILE 4 CO 0.01 -0.41 0.31 0.42 -1.79 0.00 0.00 174.94 173.47 1bwe s THR 5 N -2.87 0.08 0.00 8.37 -4.23 -1.26 -4.88 115.64 110.84 1bwe s THR 5 Ca 0.63 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1bwe s THR 5 Cb -0.18 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 72.00 1bwe s THR 5 CO 0.57 -0.35 0.00 1.21 -0.54 0.00 0.00 174.62 175.51 1bwe n GLU 6 N -0.20 0.00 0.28 3.99 2.13 -1.26 -0.91 120.64 124.67 1bwe n GLU 6 Ca -0.10 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.86 1bwe n GLU 6 Cb 0.63 0.00 0.83 0.00 0.27 0.00 0.00 31.44 33.16 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 -1.98 -1.84 132.00 133.60 1bwe h PRO 7 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 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 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 177.83 1bwe s ILE 9 N -3.06 3.71 -0.55 0.00 1.09 -0.69 -4.72 121.20 116.98 1bwe s ILE 9 Ca 0.12 -0.92 0.05 0.00 -1.10 0.00 0.00 60.65 58.80 1bwe s ILE 9 Cb 0.15 -4.64 0.35 0.00 -1.06 0.00 0.00 42.46 37.27 1bwe s ILE 9 CO 0.53 -1.40 0.96 0.61 -0.10 0.00 0.00 174.94 175.55 1bwe n GLY 10 N 6.28 5.56 1.57 6.18 0.00 -1.26 -5.05 105.19 118.47 1bwe n GLY 10 Ca 0.42 -2.73 0.00 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.26 0.00 0.00 2.61 5.66 -1.26 -4.08 114.28 116.94 1bwe n THR 11 Ca 0.32 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.32 1bwe n THR 11 Cb 0.45 -0.88 0.00 0.00 -1.55 0.00 0.00 70.33 68.35 1bwe n THR 11 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1bwe n LYS 12 N 1.66 0.00 0.00 1.09 4.76 -1.10 -4.83 118.16 119.75 1bwe n LYS 12 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1bwe n LYS 12 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1bwe n LYS 12 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1bwe n ALA 14 N 0.00 -0.99 -0.13 0.00 0.00 -1.26 -4.90 120.51 113.24 1bwe n ALA 14 Ca 0.00 0.21 -0.27 0.00 0.00 0.00 0.00 53.44 53.39 1bwe n ALA 14 Cb 0.00 -3.41 -0.11 0.00 0.00 0.00 0.00 19.45 15.93 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 -2.41 1.94 -3.82 0.00 7.64 -1.26 -4.60 113.62 111.11 1bwe n SER 15 Ca -0.09 0.31 -0.41 0.00 1.01 0.00 0.00 58.87 59.69 1bwe n SER 15 Cb 0.60 -0.82 -0.04 0.00 -1.01 0.00 0.00 64.21 62.94 1bwe n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwe s VAL 17 N 5.18 0.39 -0.92 0.00 -7.23 -1.26 -4.86 120.40 111.70 1bwe s VAL 17 Ca 0.56 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 1bwe s VAL 17 Cb 0.12 -0.78 0.00 0.00 0.56 0.00 0.00 36.38 36.28 1bwe s VAL 17 CO 0.06 -0.57 0.00 -0.62 -0.31 0.00 0.00 175.10 173.66 1bwe n GLU 18 N 1.11 -1.36 -0.00 4.82 1.02 -1.26 -4.70 120.64 120.26 1bwe n GLU 18 Ca -0.20 0.51 0.04 0.00 -0.02 0.00 0.00 57.16 57.49 1bwe n GLU 18 Cb 0.56 -4.73 -0.06 0.00 -0.02 0.00 0.00 31.44 27.19 1bwe n GLU 18 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1bwe n VAL 19 N -1.79 0.00 -2.32 2.62 0.24 -1.26 -5.02 118.33 110.80 1bwe n VAL 19 Ca -0.09 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.34 61.56 1bwe n VAL 19 Cb 0.33 0.51 -0.03 0.00 -1.47 0.00 0.00 33.84 33.18 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 6.26 0.26 0.00 0.00 0.11 -1.96 -3.20 132.00 133.47 1bwe h PRO 21 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1bwe h PRO 21 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1bwe h PRO 21 CO 0.80 0.17 -0.34 1.55 -0.21 0.00 0.00 178.00 179.97 1bwe n VAL 22 N -4.77 0.00 0.00 3.15 3.14 -1.26 -5.15 118.33 113.44 1bwe n VAL 22 Ca 0.31 -0.17 0.00 0.00 -2.96 0.00 0.00 64.34 61.52 1bwe n VAL 22 Cb 1.10 0.67 0.00 0.00 -1.06 0.00 0.00 33.84 34.55 1bwe n VAL 22 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1bwe n ASP 23 N -0.85 0.00 0.00 6.55 2.03 -1.21 -5.10 116.55 117.96 1bwe n ASP 23 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1bwe n ASP 23 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 3.87 -0.01 0.00 -5.25 -1.26 -2.40 121.20 116.15 1bwe s ILE 25 Ca 0.00 0.24 0.04 0.00 -0.99 0.00 0.00 60.65 59.94 1bwe s ILE 25 Cb 0.00 -4.86 -0.03 0.00 2.95 0.00 0.00 42.46 40.52 1bwe s ILE 25 CO 0.00 -1.75 -0.11 -1.00 -1.79 0.00 0.00 174.94 170.28 1bwe s HIS 26 N 5.33 2.77 -0.70 1.37 3.76 0.17 -4.79 115.29 123.19 1bwe s HIS 26 Ca 0.32 -0.11 -0.26 0.00 -0.15 0.00 0.00 55.06 54.85 1bwe s HIS 26 Cb -0.10 -1.60 -0.00 0.00 1.11 0.00 0.00 32.58 31.99 1bwe s HIS 26 CO 0.14 0.28 1.64 -1.21 -0.85 0.00 0.00 174.74 174.75 1bwe s GLU 27 N -1.13 2.87 -1.37 1.40 2.02 -1.26 0.22 118.70 121.45 1bwe s GLU 27 Ca 0.14 0.14 -0.14 0.00 0.02 0.00 0.00 54.97 55.12 1bwe s GLU 27 Cb -0.11 -4.43 -0.01 0.00 0.10 0.00 0.00 34.13 29.69 1bwe s GLU 27 CO 0.04 -2.55 2.27 0.41 0.02 0.00 0.00 175.26 175.45 1bwe n GLY 28 N 5.75 4.10 5.00 -1.39 0.00 0.83 -4.71 105.19 114.78 1bwe n GLY 28 Ca 0.17 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 5.87 0.00 -1.94 1.61 4.71 -1.26 -3.24 120.64 126.39 1bwe n GLU 29 Ca 0.55 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.72 1bwe n GLU 29 Cb 0.37 0.00 0.03 0.00 -1.01 0.00 0.00 31.44 30.82 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 1.98 1.00 -3.63 1.62 2.03 -1.26 -4.95 116.55 113.33 1bwe n ASP 30 Ca 0.00 -2.01 -0.10 0.00 0.52 0.00 0.00 54.79 53.19 1bwe n ASP 30 Cb 0.00 -0.29 -0.07 0.00 -0.72 0.00 0.00 41.12 40.04 1bwe n ASP 30 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1bwe s GLN 31 N -1.22 0.59 -0.36 -0.67 2.00 -1.20 -2.70 119.66 116.10 1bwe s GLN 31 Ca 0.29 0.68 -0.29 0.00 -2.00 0.00 0.00 55.36 54.05 1bwe s GLN 31 Cb 0.35 0.29 0.02 0.00 0.80 0.00 0.00 33.01 34.47 1bwe s GLN 31 CO -0.12 -0.07 1.08 0.71 -0.50 0.00 0.00 175.29 176.39 1bwe s TYR 32 N 0.23 3.08 -0.29 1.67 1.51 -1.26 -0.12 117.35 122.17 1bwe s TYR 32 Ca 0.02 1.08 -0.10 0.00 -1.01 0.00 0.00 57.07 57.06 1bwe s TYR 32 Cb -0.05 -3.85 -0.03 0.00 -0.11 0.00 0.00 41.96 37.92 1bwe s TYR 32 CO -0.04 -0.88 0.15 0.71 -1.11 0.00 0.00 175.55 174.38 1bwe s TYR 33 N 3.82 3.17 -0.19 2.71 1.51 0.13 -4.80 117.35 123.71 1bwe s TYR 33 Ca 0.46 -0.30 -0.24 0.00 -1.01 0.00 0.00 57.07 55.98 1bwe s TYR 33 Cb -0.11 -2.35 -0.02 0.00 -0.11 0.00 0.00 41.96 39.38 1bwe s TYR 33 CO 0.19 -0.34 0.77 0.42 -1.11 0.00 0.00 175.55 175.48 1bwe s ILE 34 N 1.67 4.92 -0.22 2.71 1.01 -1.26 -0.66 121.20 129.38 1bwe s ILE 34 Ca 0.06 1.49 -0.29 0.00 0.00 0.00 0.00 60.65 61.91 1bwe s ILE 34 Cb -0.16 -4.08 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 1bwe s ILE 34 CO 0.07 0.04 1.75 -0.62 0.00 0.00 0.00 174.94 176.18 1bwe s ASP 35 N 1.19 6.20 0.43 3.58 -1.08 -1.01 -4.85 116.67 121.13 1bwe s ASP 35 Ca 0.35 1.69 0.10 0.00 -0.52 0.00 0.00 52.55 54.17 1bwe s ASP 35 Cb -0.16 -2.53 0.94 0.00 -1.46 0.00 0.00 42.92 39.71 1bwe s ASP 35 CO 0.11 -1.40 2.04 1.55 0.52 0.00 0.00 175.17 177.99 1bwe h PRO 36 N 11.58 0.32 0.00 4.34 0.13 -1.83 0.00 132.00 146.54 1bwe h PRO 36 Ca -0.36 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 64.59 1bwe h PRO 36 Cb 1.17 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1bwe h PRO 36 CO 1.00 0.27 -0.70 -0.44 -0.23 0.00 0.00 178.00 177.90 1bwe h ASP 37 N 0.32 0.00 0.58 1.44 3.32 -1.92 -3.03 116.42 117.13 1bwe h ASP 37 Ca 0.08 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.85 1bwe h ASP 37 Cb 0.08 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 1bwe h ASP 37 CO -0.01 0.70 -1.47 0.58 -1.72 0.00 0.00 179.24 177.33 1bwe h VAL 38 N 0.00 1.19 -1.73 -1.35 2.07 -1.87 -3.45 116.25 111.11 1bwe h VAL 38 Ca -0.01 -2.91 -0.52 0.00 0.82 0.00 0.00 66.70 64.09 1bwe h VAL 38 Cb 1.40 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.85 1bwe h VAL 38 CO 0.09 0.77 1.58 0.00 0.02 0.00 0.00 177.57 180.03 1bwe n ILE 40 N 7.89 2.51 0.00 0.00 -5.35 -1.26 -0.19 119.36 122.96 1bwe n ILE 40 Ca 0.35 -1.10 0.00 0.00 -0.27 0.00 0.00 62.75 61.72 1bwe n ILE 40 Cb 0.49 -1.81 0.00 0.00 -1.74 0.00 0.00 39.64 36.59 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 2.20 0.00 0.00 7.28 9.92 -1.26 -4.83 116.55 129.86 1bwe n ASP 41 Ca 0.27 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.53 1bwe n ASP 41 Cb 0.74 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.22 1bwe n ASP 41 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bwe n GLY 43 N 0.00 1.48 5.10 0.00 0.00 -1.26 -4.98 105.19 105.53 1bwe n GLY 43 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 7.31 0.00 -0.28 4.61 0.00 -1.26 -3.81 120.51 127.08 1bwe n ALA 44 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1bwe n ALA 44 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 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 0.50 -0.54 -0.21 0.00 4.22 -1.93 -0.29 114.58 116.32 1bwe h GLU 46 Ca 0.45 0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.88 1bwe h GLU 46 Cb 0.70 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1bwe h GLU 46 CO -0.41 -0.36 -0.09 0.00 -2.18 0.00 0.00 179.01 175.97 1bwe h ALA 47 N -0.26 1.45 -0.46 2.92 0.00 -1.54 -2.23 119.26 119.15 1bwe h ALA 47 Ca 0.04 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1bwe h ALA 47 Cb 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1bwe h ALA 47 CO -0.46 0.38 0.02 0.28 0.00 0.00 0.00 179.25 179.47 1bwe h VAL 48 N 0.32 1.23 -2.39 0.00 2.07 -0.15 -3.40 116.25 113.93 1bwe h VAL 48 Ca 0.07 -0.94 -0.57 0.00 0.82 0.00 0.00 66.70 66.08 1bwe h VAL 48 Cb 0.37 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1bwe h VAL 48 CO 0.02 0.33 1.29 0.00 0.02 0.00 0.00 177.57 179.23 1bwe n PRO 50 N 8.05 1.62 0.00 0.00 -0.04 -1.26 -1.93 135.00 141.44 1bwe n PRO 50 Ca 0.23 -0.63 0.00 0.00 -0.04 0.00 0.00 63.50 63.06 1bwe n PRO 50 Cb 0.44 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1bwe n PRO 50 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1bwe n VAL 51 N 2.09 0.00 -3.38 0.52 3.14 -1.26 -5.06 118.33 114.38 1bwe n VAL 51 Ca 0.26 0.00 -0.19 0.00 -2.96 0.00 0.00 64.34 61.45 1bwe n VAL 51 Cb 0.75 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 33.60 1bwe n VAL 51 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1bwe n SER 52 N -0.36 -5.67 0.19 6.55 7.64 -0.81 -4.93 113.62 116.22 1bwe n SER 52 Ca 0.00 -0.77 0.10 0.00 1.01 0.00 0.00 58.87 59.21 1bwe n SER 52 Cb 0.00 -4.77 0.12 0.00 -1.01 0.00 0.00 64.21 58.55 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 0.24 0.88 -2.06 -0.43 0.00 -1.86 -3.44 119.26 112.59 1bwe h ALA 53 Ca -0.62 -0.09 -0.56 0.00 0.00 0.00 0.00 54.91 53.64 1bwe h ALA 53 Cb 1.33 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1bwe h ALA 53 CO 0.46 0.11 1.04 0.42 0.00 0.00 0.00 179.25 181.29 1bwe s ILE 54 N -3.19 3.89 0.37 0.00 1.01 -1.26 -4.16 121.20 117.87 1bwe s ILE 54 Ca 0.05 1.03 0.09 0.00 0.00 0.00 0.00 60.65 61.82 1bwe s ILE 54 Cb 0.06 -3.84 -0.07 0.00 0.01 0.00 0.00 42.46 38.62 1bwe s ILE 54 CO 0.70 -0.29 -0.06 -0.31 0.00 0.00 0.00 174.94 174.99 1bwe s TYR 55 N 4.56 2.44 0.45 3.97 2.02 -0.59 -4.86 117.35 125.36 1bwe s TYR 55 Ca 0.65 -0.57 -0.24 0.00 -0.37 0.00 0.00 57.07 56.54 1bwe s TYR 55 Cb -0.23 -1.53 -0.07 0.00 -0.40 0.00 0.00 41.96 39.73 1bwe s TYR 55 CO 0.25 0.53 1.25 -1.01 -1.57 0.00 0.00 175.55 175.00 1bwe s HIS 56 N -2.65 2.75 0.29 2.71 3.76 -1.26 -0.02 115.29 120.87 1bwe s HIS 56 Ca 0.33 1.46 0.03 0.00 -0.15 0.00 0.00 55.06 56.73 1bwe s HIS 56 Cb 0.05 -3.57 0.60 0.00 1.11 0.00 0.00 32.58 30.78 1bwe s HIS 56 CO 0.17 -1.97 1.83 1.05 -0.85 0.00 0.00 174.74 174.97 1bwe h GLU 57 N 2.20 0.91 -0.78 1.40 4.11 -1.89 0.23 114.58 120.77 1bwe h GLU 57 Ca -0.50 -0.06 0.13 0.00 0.07 0.00 0.00 59.36 59.01 1bwe h GLU 57 Cb 1.26 -0.21 -0.09 0.00 0.50 0.00 0.00 28.75 30.21 1bwe h GLU 57 CO 0.61 0.61 0.36 0.22 0.07 0.00 0.00 179.01 180.87 1bwe h ASP 58 N 0.94 0.41 0.54 3.06 3.58 -1.90 -3.00 116.42 120.05 1bwe h ASP 58 Ca 0.50 0.09 -0.23 0.00 0.42 0.00 0.00 57.03 57.81 1bwe h ASP 58 Cb 0.55 0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.63 1bwe h ASP 58 CO -0.27 0.18 -1.03 -0.26 -2.88 0.00 0.00 179.24 174.99 1bwe h PHE 59 N 0.55 0.45 -2.21 0.28 -1.00 -0.94 -3.44 116.94 110.63 1bwe h PHE 59 Ca 0.42 -0.28 -0.58 0.00 2.81 0.00 0.00 57.97 60.33 1bwe h PHE 59 Cb 0.57 -0.04 0.03 0.00 3.61 0.00 0.00 35.95 40.13 1bwe h PHE 59 CO -0.13 1.14 1.01 0.28 -1.61 0.00 0.00 178.31 179.01 1bwe n VAL 60 N -3.63 0.37 -1.63 -0.55 0.31 -0.62 -4.91 118.33 107.68 1bwe n VAL 60 Ca -0.06 -0.07 -0.40 0.00 -0.01 0.00 0.00 64.34 63.81 1bwe n VAL 60 Cb 0.90 -1.84 0.03 0.00 -0.91 0.00 0.00 33.84 32.02 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 5.49 1.27 -0.33 5.55 -0.02 -1.26 -4.40 135.00 141.30 1bwe n PRO 61 Ca 0.20 0.47 0.18 0.00 -2.02 0.00 0.00 63.50 62.32 1bwe n PRO 61 Cb 0.31 -2.17 0.35 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.19 0.06 -0.87 -0.52 3.07 -1.93 0.55 114.58 116.13 1bwe h GLU 62 Ca -0.47 -0.00 0.22 0.00 -0.50 0.00 0.00 59.36 58.61 1bwe h GLU 62 Cb 1.34 -0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 29.10 1bwe h GLU 62 CO 0.55 0.04 0.28 0.93 -1.40 0.00 0.00 179.01 179.41 1bwe h GLU 63 N 0.06 0.27 -0.02 2.33 3.07 -2.03 -1.95 114.58 116.31 1bwe h GLU 63 Ca 0.64 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.48 1bwe h GLU 63 Cb 1.40 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 1bwe h GLU 63 CO -0.82 0.18 -0.15 0.91 -1.40 0.00 0.00 179.01 177.73 1bwe n TRP 64 N -5.16 0.00 0.27 4.33 8.01 0.16 -4.08 117.44 120.97 1bwe n TRP 64 Ca 0.21 0.00 0.18 0.00 -1.31 0.00 0.00 57.50 56.57 1bwe n TRP 64 Cb 0.65 0.00 0.93 0.00 -2.01 0.00 0.00 31.31 30.88 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 3.63 0.00 -0.78 -0.99 1.79 0.21 0.16 116.57 120.58 1bwe h LYS 65 Ca 0.00 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 58.65 1bwe h LYS 65 Cb 0.85 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.38 1bwe h LYS 65 CO 0.00 0.00 0.20 0.66 -1.08 0.00 0.00 179.45 179.23 1bwe h SER 66 N 0.00 0.01 -0.34 0.86 4.64 -1.71 0.84 113.55 117.85 1bwe h SER 66 Ca 0.04 0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.46 1bwe h SER 66 Cb 0.28 0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 1bwe h SER 66 CO -0.00 -0.07 0.03 1.88 -0.87 0.00 0.00 176.83 177.80 1bwe h TYR 67 N 0.26 0.71 -0.26 4.77 -1.99 -0.98 0.35 116.97 119.82 1bwe h TYR 67 Ca 0.46 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 61.08 1bwe h TYR 67 Cb 0.82 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.34 1bwe h TYR 67 CO -0.26 0.65 0.05 0.82 -0.00 0.00 0.00 178.16 179.42 1bwe h ILE 68 N 0.64 1.22 -0.65 -2.88 5.03 -0.94 0.27 117.51 120.20 1bwe h ILE 68 Ca 0.14 -0.74 0.09 0.00 -0.12 0.00 0.00 64.86 64.22 1bwe h ILE 68 Cb 0.36 1.20 -0.07 0.00 -3.03 0.00 0.00 36.82 35.29 1bwe h ILE 68 CO 0.01 0.24 0.30 -0.61 -0.68 0.00 0.00 178.15 177.41 1bwe h GLN 69 N 0.25 0.51 -0.25 2.37 -0.00 -0.71 0.12 115.11 117.40 1bwe h GLN 69 Ca 0.08 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.66 1bwe h GLN 69 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.66 1bwe h GLN 69 CO 0.00 0.34 -0.01 -0.22 0.00 0.00 0.00 178.83 178.94 1bwe h LYS 70 N 0.53 0.45 -0.88 1.69 1.63 -0.39 -0.35 116.57 119.24 1bwe h LYS 70 Ca 0.32 -0.15 0.02 0.00 -0.85 0.00 0.00 60.65 59.99 1bwe h LYS 70 Cb 0.34 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.88 1bwe h LYS 70 CO -0.27 0.63 0.58 -0.91 -3.45 0.00 0.00 179.45 176.03 1bwe h ASN 71 N 0.22 0.99 0.76 4.20 2.35 -0.20 -0.20 115.58 123.70 1bwe h ASN 71 Ca 0.07 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1bwe h ASN 71 Cb 0.43 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 1bwe h ASN 71 CO 0.01 0.70 -0.44 -0.09 -1.65 0.00 0.00 177.43 175.97 1bwe h ARG 72 N 1.16 -1.07 -0.21 0.81 2.43 -0.62 -3.34 114.38 113.56 1bwe h ARG 72 Ca 0.33 0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.63 1bwe h ARG 72 Cb -0.10 0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 1bwe h ARG 72 CO -0.08 -0.71 -0.20 0.22 -1.51 0.00 0.00 179.97 177.69 1bwe h ASP 73 N -1.11 -0.63 -0.75 -3.80 3.58 -0.83 -3.16 116.42 109.72 1bwe h ASP 73 Ca -0.10 0.12 0.18 0.00 0.42 0.00 0.00 57.03 57.65 1bwe h ASP 73 Cb 0.88 0.30 -0.14 0.00 1.72 0.00 0.00 39.33 42.09 1bwe h ASP 73 CO 0.12 -0.24 -0.07 0.49 -2.88 0.00 0.00 179.24 176.66 1bwe n PHE 74 N -5.35 0.39 0.50 0.28 3.72 -0.11 -0.97 117.46 115.93 1bwe n PHE 74 Ca -0.01 0.91 0.06 0.00 -0.05 0.00 0.00 57.45 58.35 1bwe n PHE 74 Cb 0.26 -1.01 0.02 0.00 -0.94 0.00 0.00 39.48 37.81 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 -5.12 0.00 0.09 1.38 3.72 -1.21 -4.61 117.46 111.72 1bwe n PHE 75 Ca 0.15 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.41 1bwe n PHE 75 Cb 0.49 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.91 1bwe n PHE 75 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1bwe h LYS 76 N 1.69 0.23 0.00 -1.08 6.56 -1.02 -3.53 116.57 119.42 1bwe h LYS 76 Ca 0.00 -0.38 0.00 0.00 -1.06 0.00 0.00 60.65 59.21 1bwe h LYS 76 Cb 0.43 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.23 1bwe h LYS 76 CO 0.00 1.17 0.00 0.36 -2.06 0.00 0.00 179.45 178.92