#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 2.90 -0.02 0.00 2.02 -1.26 -3.14 117.35 117.85 1bwe s TYR 2 Ca 0.00 -0.07 0.04 0.00 -0.37 0.00 0.00 57.07 56.68 1bwe s TYR 2 Cb 0.00 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 40.03 1bwe s TYR 2 CO 0.00 0.45 -0.15 0.08 -1.57 0.00 0.00 175.55 174.36 1bwe s VAL 3 N -1.23 1.19 0.20 0.71 1.01 0.60 -4.67 120.40 118.21 1bwe s VAL 3 Ca 0.23 -0.63 -0.27 0.00 0.00 0.00 0.00 61.98 61.31 1bwe s VAL 3 Cb -0.11 -1.00 -0.08 0.00 0.00 0.00 0.00 36.38 35.18 1bwe s VAL 3 CO 0.15 0.34 0.84 -0.63 0.00 0.00 0.00 175.10 175.80 1bwe s ILE 4 N -0.26 4.26 0.34 2.22 1.01 -1.26 -1.72 121.20 125.79 1bwe s ILE 4 Ca 0.04 1.84 0.03 0.00 0.00 0.00 0.00 60.65 62.56 1bwe s ILE 4 Cb -0.07 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 1bwe s ILE 4 CO -0.00 0.51 0.09 0.42 0.00 0.00 0.00 174.94 175.95 1bwe s THR 5 N -1.17 0.90 0.00 2.92 -4.23 -1.10 -4.94 115.64 108.01 1bwe s THR 5 Ca 0.38 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1bwe s THR 5 Cb -0.24 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1bwe s THR 5 CO 0.28 0.00 0.00 1.21 -0.54 0.00 0.00 174.62 175.57 1bwe n GLU 6 N -0.72 0.00 0.25 3.99 2.13 -1.26 -0.93 120.64 124.11 1bwe n GLU 6 Ca -0.03 0.00 0.17 0.00 0.66 0.00 0.00 57.16 57.96 1bwe n GLU 6 Cb 0.66 0.00 0.87 0.00 0.27 0.00 0.00 31.44 33.24 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 -0.13 5.31 0.11 -1.97 0.10 132.00 135.42 1bwe h PRO 7 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1bwe h PRO 7 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 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 -4.25 -0.02 0.00 0.00 5.41 0.02 -4.59 119.36 115.93 1bwe n ILE 9 Ca -0.01 -0.53 0.00 0.00 1.00 0.00 0.00 62.75 63.21 1bwe n ILE 9 Cb 0.29 -2.11 0.00 0.00 -0.71 0.00 0.00 39.64 37.10 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 6.17 -0.79 7.00 7.39 0.00 -1.21 -5.07 105.19 118.69 1bwe n GLY 10 Ca 0.44 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.86 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 0.00 0.00 -1.43 2.61 5.66 -0.83 -4.16 114.28 116.13 1bwe n THR 11 Ca 0.00 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.60 1bwe n THR 11 Cb 0.00 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 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 -0.01 2.68 0.01 1.09 5.02 -1.26 -4.37 118.16 121.31 1bwe n LYS 12 Ca 0.00 -2.26 -0.12 0.00 -2.02 0.00 0.00 58.31 53.92 1bwe n LYS 12 Cb 0.00 -3.03 -0.06 0.00 -0.02 0.00 0.00 35.03 31.91 1bwe n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bwe n ALA 14 N -2.14 0.00 0.00 0.00 0.00 -1.26 -4.89 120.51 112.22 1bwe n ALA 14 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1bwe n ALA 14 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 6.16 0.00 -0.23 0.00 7.64 -1.26 -4.26 113.62 121.67 1bwe n SER 15 Ca 0.00 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.94 1bwe n SER 15 Cb 0.00 0.00 0.32 0.00 -1.01 0.00 0.00 64.21 63.52 1bwe n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bwe h VAL 17 N 0.84 0.00 0.00 0.00 2.07 -1.95 -3.24 116.25 113.98 1bwe h VAL 17 Ca 0.35 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.87 1bwe h VAL 17 Cb 0.28 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1bwe h VAL 17 CO -0.13 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.84 1bwe n GLU 18 N -4.84 0.21 0.00 1.57 4.71 -1.17 -2.51 120.64 118.61 1bwe n GLU 18 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.06 1bwe n GLU 18 Cb 0.36 -1.16 0.00 0.00 -1.01 0.00 0.00 31.44 29.63 1bwe n GLU 18 CO 0.00 0.00 0.00 1.33 0.09 0.00 0.00 177.13 178.55 1bwe n VAL 19 N -0.66 0.00 -2.20 2.62 0.24 -1.22 -5.07 118.33 112.04 1bwe n VAL 19 Ca 0.02 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.34 61.66 1bwe n VAL 19 Cb 0.01 0.85 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 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 6.79 0.00 -1.16 0.00 0.11 -1.96 -3.33 132.00 132.45 1bwe h PRO 21 Ca -0.42 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.28 1bwe h PRO 21 Cb 1.21 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.03 1bwe h PRO 21 CO 0.86 0.00 -0.86 1.55 -0.21 0.00 0.00 178.00 179.34 1bwe n VAL 22 N -4.38 -0.32 -1.10 3.15 3.14 -1.26 -5.06 118.33 112.50 1bwe n VAL 22 Ca 0.04 -3.05 0.00 0.00 -2.96 0.00 0.00 64.34 58.36 1bwe n VAL 22 Cb 0.36 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.92 1bwe n VAL 22 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1bwe n ASP 23 N 1.17 0.00 -1.78 6.55 9.92 -1.25 -4.78 116.55 126.37 1bwe n ASP 23 Ca 0.16 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.23 1bwe n ASP 23 Cb 0.60 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 41.16 1bwe n ASP 23 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bwe s ILE 25 N -4.30 2.04 0.20 0.00 -5.25 -1.26 -1.16 121.20 111.48 1bwe s ILE 25 Ca 0.51 -0.96 0.02 0.00 -0.99 0.00 0.00 60.65 59.23 1bwe s ILE 25 Cb 0.42 -1.82 -0.05 0.00 2.95 0.00 0.00 42.46 43.96 1bwe s ILE 25 CO 0.01 0.54 0.00 -1.00 -1.79 0.00 0.00 174.94 172.71 1bwe s HIS 26 N 0.96 1.37 0.44 1.37 3.76 0.64 -4.96 115.29 118.87 1bwe s HIS 26 Ca -0.03 -0.99 -0.03 0.00 -0.15 0.00 0.00 55.06 53.86 1bwe s HIS 26 Cb -0.15 -0.78 -0.03 0.00 1.11 0.00 0.00 32.58 32.73 1bwe s HIS 26 CO -0.05 -0.15 0.70 -1.21 -0.85 0.00 0.00 174.74 173.18 1bwe s GLU 27 N -3.90 3.43 -0.46 1.40 2.02 -1.26 0.28 118.70 120.21 1bwe s GLU 27 Ca 0.26 -0.08 0.07 0.00 0.02 0.00 0.00 54.97 55.24 1bwe s GLU 27 Cb 0.06 -2.49 0.26 0.00 0.10 0.00 0.00 34.13 32.06 1bwe s GLU 27 CO 0.06 -0.12 0.82 0.41 0.02 0.00 0.00 175.26 176.45 1bwe n GLY 28 N -2.09 0.96 2.26 -1.39 0.00 -0.07 -4.72 105.19 100.14 1bwe n GLY 28 Ca -0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.61 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 1.36 -1.67 -4.17 1.61 4.71 -1.26 -4.27 120.64 116.95 1bwe n GLU 29 Ca 0.12 1.62 -0.35 0.00 -0.01 0.00 0.00 57.16 58.54 1bwe n GLU 29 Cb 0.62 -3.80 -0.02 0.00 -1.01 0.00 0.00 31.44 27.22 1bwe n GLU 29 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1bwe n ASP 30 N -0.06 -3.03 -3.45 1.62 9.92 -1.26 -4.92 116.55 115.37 1bwe n ASP 30 Ca 0.04 -1.00 -0.11 0.00 -0.53 0.00 0.00 54.79 53.19 1bwe n ASP 30 Cb 0.16 -2.86 -0.02 0.00 -0.64 0.00 0.00 41.12 37.76 1bwe n ASP 30 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1bwe s GLN 31 N -6.87 1.18 0.32 -1.24 -2.07 -1.26 -1.97 119.66 107.74 1bwe s GLN 31 Ca 0.64 -0.44 0.07 0.00 -1.82 0.00 0.00 55.36 53.81 1bwe s GLN 31 Cb -0.35 0.54 -0.02 0.00 -1.09 0.00 0.00 33.01 32.09 1bwe s GLN 31 CO 0.92 -0.52 0.39 0.71 -1.32 0.00 0.00 175.29 175.47 1bwe s TYR 32 N -3.60 3.10 0.02 9.60 1.51 -1.26 -0.89 117.35 125.83 1bwe s TYR 32 Ca 0.02 -0.21 -0.00 0.00 -1.01 0.00 0.00 57.07 55.87 1bwe s TYR 32 Cb -0.01 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 1bwe s TYR 32 CO -0.12 0.14 -0.01 0.71 -1.11 0.00 0.00 175.55 175.16 1bwe s TYR 33 N -2.18 0.21 -0.09 2.71 2.02 0.14 -4.72 117.35 115.44 1bwe s TYR 33 Ca 0.41 -0.43 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 1bwe s TYR 33 Cb -0.08 -0.16 -0.01 0.00 -0.40 0.00 0.00 41.96 41.31 1bwe s TYR 33 CO 0.29 -0.17 -0.18 0.42 -1.57 0.00 0.00 175.55 174.34 1bwe s ILE 34 N -1.25 2.64 -0.04 2.71 1.01 -1.26 -0.26 121.20 124.75 1bwe s ILE 34 Ca -0.14 -0.83 -0.30 0.00 0.00 0.00 0.00 60.65 59.38 1bwe s ILE 34 Cb -0.08 -2.05 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 1bwe s ILE 34 CO -0.01 0.55 1.42 -0.62 0.00 0.00 0.00 174.94 176.29 1bwe s ASP 35 N 0.05 6.84 0.33 3.58 -1.08 -0.31 -4.90 116.67 121.19 1bwe s ASP 35 Ca -0.07 2.06 0.14 0.00 -0.52 0.00 0.00 52.55 54.16 1bwe s ASP 35 Cb -0.15 -2.55 0.53 0.00 -1.46 0.00 0.00 42.92 39.29 1bwe s ASP 35 CO 0.05 -0.76 1.68 1.55 0.52 0.00 0.00 175.17 178.21 1bwe h PRO 36 N 8.19 0.00 0.00 4.34 0.13 -1.86 0.31 132.00 143.10 1bwe h PRO 36 Ca -0.36 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.54 1bwe h PRO 36 Cb 1.17 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 1bwe h PRO 36 CO 0.92 0.49 -1.63 -0.40 -0.23 0.00 0.00 178.00 177.15 1bwe n ASP 37 N -3.70 0.75 0.05 1.44 5.75 -1.26 -4.09 116.55 115.49 1bwe n ASP 37 Ca -0.01 0.34 -0.06 0.00 -0.01 0.00 0.00 54.79 55.05 1bwe n ASP 37 Cb 0.55 0.22 -0.11 0.00 -1.03 0.00 0.00 41.12 40.75 1bwe n ASP 37 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1bwe h VAL 38 N 0.00 1.50 -2.54 2.12 2.07 -1.94 -3.43 116.25 114.03 1bwe h VAL 38 Ca -0.24 -3.20 -0.55 0.00 0.82 0.00 0.00 66.70 63.53 1bwe h VAL 38 Cb 1.78 2.74 -0.00 0.00 -1.52 0.00 0.00 31.29 34.28 1bwe h VAL 38 CO 0.05 0.85 1.15 0.00 0.02 0.00 0.00 177.57 179.65 1bwe n ILE 40 N 5.78 2.14 -4.16 0.00 -5.35 -1.26 -4.78 119.36 111.73 1bwe n ILE 40 Ca 0.19 -1.01 -0.33 0.00 -0.27 0.00 0.00 62.75 61.33 1bwe n ILE 40 Cb 0.43 -0.91 -0.05 0.00 -1.74 0.00 0.00 39.64 37.37 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 -0.06 -0.65 -0.02 7.28 -0.08 -1.26 -4.89 116.55 116.87 1bwe n ASP 41 Ca 0.27 -1.22 -0.16 0.00 -1.51 0.00 0.00 54.79 52.17 1bwe n ASP 41 Cb 0.91 -2.00 -0.10 0.00 2.34 0.00 0.00 41.12 42.27 1bwe n ASP 41 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bwe n GLY 43 N 0.85 -1.05 2.24 0.00 0.00 -1.26 -5.08 105.19 100.88 1bwe n GLY 43 Ca -0.09 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.11 0.05 -0.12 4.61 0.00 -1.26 -4.98 120.51 118.71 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 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 0.19 0.10 -0.79 0.00 9.09 -1.94 -1.95 114.58 119.28 1bwe h GLU 46 Ca 0.19 -0.01 0.03 0.00 0.05 0.00 0.00 59.36 59.62 1bwe h GLU 46 Cb 0.23 -0.02 -0.04 0.00 -1.65 0.00 0.00 28.75 27.27 1bwe h GLU 46 CO -0.26 0.07 0.52 0.00 0.05 0.00 0.00 179.01 179.39 1bwe h ALA 47 N 1.31 1.50 -0.09 1.06 0.00 -1.83 -2.51 119.26 118.70 1bwe h ALA 47 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1bwe h ALA 47 Cb 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1bwe h ALA 47 CO -0.29 0.43 0.00 1.33 0.00 0.00 0.00 179.25 180.72 1bwe n VAL 48 N -4.44 0.11 -2.85 0.00 0.24 -0.78 -4.60 118.33 106.00 1bwe n VAL 48 Ca 0.10 -0.27 -0.43 0.00 -2.04 0.00 0.00 64.34 61.70 1bwe n VAL 48 Cb 0.09 0.34 -0.04 0.00 -1.47 0.00 0.00 33.84 32.76 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 7.61 0.65 -0.00 0.00 -0.04 -1.26 -0.67 135.00 141.30 1bwe n PRO 50 Ca -0.02 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1bwe n PRO 50 Cb 0.46 -1.18 -0.01 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.12 0.05 -3.42 0.52 0.24 -1.26 -5.06 118.33 109.28 1bwe n VAL 51 Ca 0.00 -0.04 -0.20 0.00 -2.04 0.00 0.00 64.34 62.06 1bwe n VAL 51 Cb 0.09 -0.55 0.06 0.00 -1.47 0.00 0.00 33.84 31.97 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 -1.89 -5.39 0.17 -1.34 7.64 0.16 -4.93 113.62 108.05 1bwe n SER 52 Ca -0.01 -0.79 0.12 0.00 1.01 0.00 0.00 58.87 59.19 1bwe n SER 52 Cb 0.38 -4.63 0.10 0.00 -1.01 0.00 0.00 64.21 59.06 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 0.33 0.80 -2.30 -0.43 0.00 -1.91 -3.45 119.26 112.30 1bwe h ALA 53 Ca -0.62 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 53.69 1bwe h ALA 53 Cb 1.33 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.05 1bwe h ALA 53 CO 0.47 0.01 0.49 0.42 0.00 0.00 0.00 179.25 180.64 1bwe s ILE 54 N -3.26 4.83 0.23 0.00 1.01 -1.26 -2.71 121.20 120.04 1bwe s ILE 54 Ca 0.04 1.69 0.01 0.00 0.00 0.00 0.00 60.65 62.38 1bwe s ILE 54 Cb 0.07 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.33 1bwe s ILE 54 CO 0.72 -0.04 0.08 -0.31 0.00 0.00 0.00 174.94 175.39 1bwe s TYR 55 N 2.56 1.38 0.42 3.97 2.02 -0.70 -4.92 117.35 122.07 1bwe s TYR 55 Ca 0.38 -1.19 -0.26 0.00 -0.37 0.00 0.00 57.07 55.63 1bwe s TYR 55 Cb -0.16 -0.78 -0.09 0.00 -0.40 0.00 0.00 41.96 40.54 1bwe s TYR 55 CO 0.10 -0.38 1.32 -1.58 -1.57 0.00 0.00 175.55 173.44 1bwe s HIS 56 N -3.83 2.75 0.28 2.71 2.46 -1.26 -0.29 115.29 118.11 1bwe s HIS 56 Ca 0.35 1.39 0.02 0.00 0.47 0.00 0.00 55.06 57.28 1bwe s HIS 56 Cb 0.07 -3.71 0.67 0.00 -0.13 0.00 0.00 32.58 29.49 1bwe s HIS 56 CO 0.11 -2.23 1.68 1.05 -2.47 0.00 0.00 174.74 172.88 1bwe h GLU 57 N 2.59 0.30 -1.00 2.88 4.11 -1.88 0.33 114.58 121.91 1bwe h GLU 57 Ca -0.50 -0.02 0.05 0.00 0.07 0.00 0.00 59.36 58.96 1bwe h GLU 57 Cb 1.25 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 1bwe h GLU 57 CO 0.62 0.20 0.65 -0.44 0.07 0.00 0.00 179.01 180.11 1bwe h ASP 58 N 0.30 1.07 0.16 3.06 5.19 -1.91 -3.16 116.42 121.14 1bwe h ASP 58 Ca 0.53 -0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.66 1bwe h ASP 58 Cb 1.02 -0.23 0.02 0.00 0.18 0.00 0.00 39.33 40.31 1bwe h ASP 58 CO -0.57 0.71 -1.14 0.15 -3.12 0.00 0.00 179.24 175.27 1bwe h PHE 59 N 1.22 0.93 -1.71 4.55 3.04 -0.76 -3.45 116.94 120.76 1bwe h PHE 59 Ca 0.41 -0.55 -0.69 0.00 3.98 0.00 0.00 57.97 61.12 1bwe h PHE 59 Cb 0.07 -0.09 0.03 0.00 2.56 0.00 0.00 35.95 38.52 1bwe h PHE 59 CO -0.00 1.39 0.85 0.28 -2.02 0.00 0.00 178.31 178.81 1bwe n VAL 60 N -3.79 0.28 -1.61 1.41 0.31 -0.35 -4.88 118.33 109.70 1bwe n VAL 60 Ca -0.11 -0.05 -0.39 0.00 -0.01 0.00 0.00 64.34 63.77 1bwe n VAL 60 Cb 0.93 -1.29 0.03 0.00 -0.91 0.00 0.00 33.84 32.60 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 4.95 1.16 -0.33 5.55 -0.02 -1.26 -4.41 135.00 140.64 1bwe n PRO 61 Ca 0.24 0.43 0.16 0.00 -2.02 0.00 0.00 63.50 62.30 1bwe n PRO 61 Cb 0.18 -2.11 0.32 0.00 -0.02 0.00 0.00 33.50 31.87 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 1.05 0.04 -0.85 -0.52 3.07 -1.93 0.55 114.58 115.99 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 1.35 -0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 29.11 1bwe h GLU 62 CO 0.54 0.03 0.23 0.93 -1.40 0.00 0.00 179.01 179.33 1bwe h GLU 63 N 0.05 0.22 -0.03 2.33 3.07 -2.02 -1.58 114.58 116.62 1bwe h GLU 63 Ca 0.61 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.46 1bwe h GLU 63 Cb 1.30 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1bwe h GLU 63 CO -0.85 0.15 -0.04 0.91 -1.40 0.00 0.00 179.01 177.78 1bwe n TRP 64 N -5.21 0.00 0.31 4.33 8.01 0.16 -4.06 117.44 120.98 1bwe n TRP 64 Ca 0.20 0.00 0.19 0.00 -1.31 0.00 0.00 57.50 56.58 1bwe n TRP 64 Cb 0.63 -0.00 1.05 0.00 -2.01 0.00 0.00 31.31 30.98 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 4.49 0.00 -0.74 -0.99 1.79 0.41 0.16 116.57 121.69 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 0.98 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.51 1bwe h LYS 65 CO 0.00 0.00 0.14 0.66 -1.08 0.00 0.00 179.45 179.17 1bwe h SER 66 N 0.00 -0.06 -0.31 0.86 4.64 -1.71 0.12 113.55 117.09 1bwe h SER 66 Ca 0.01 0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 1bwe h SER 66 Cb 0.10 0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 1bwe h SER 66 CO -0.00 -0.08 0.11 1.88 -0.87 0.00 0.00 176.83 177.87 1bwe h TYR 67 N 0.23 0.55 -0.33 4.77 0.05 -0.98 -1.35 116.97 119.90 1bwe h TYR 67 Ca 0.42 -0.03 -0.09 0.00 0.05 0.00 0.00 58.73 59.09 1bwe h TYR 67 Cb 0.74 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.29 1bwe h TYR 67 CO -0.29 0.47 -0.15 0.82 -1.05 0.00 0.00 178.16 177.95 1bwe h ILE 68 N 0.54 1.25 0.01 -2.88 5.03 -0.82 0.29 117.51 120.93 1bwe h ILE 68 Ca 0.13 -1.14 -0.00 0.00 -0.12 0.00 0.00 64.86 63.72 1bwe h ILE 68 Cb 0.19 1.16 0.00 0.00 -3.03 0.00 0.00 36.82 35.14 1bwe h ILE 68 CO -0.01 0.38 -0.01 -0.61 -0.68 0.00 0.00 178.15 177.23 1bwe h GLN 69 N 0.54 -0.02 -0.19 2.37 -0.00 -0.91 -2.71 115.11 114.20 1bwe h GLN 69 Ca 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.74 1bwe h GLN 69 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.05 1bwe h GLN 69 CO 0.04 0.12 0.12 -0.22 0.00 0.00 0.00 178.83 178.89 1bwe h LYS 70 N -0.15 0.26 -0.91 1.69 1.63 -0.36 -0.37 116.57 118.36 1bwe h LYS 70 Ca -0.00 -0.02 0.22 0.00 -0.85 0.00 0.00 60.65 60.00 1bwe h LYS 70 Cb 0.15 -0.05 -0.17 0.00 -0.60 0.00 0.00 32.23 31.55 1bwe h LYS 70 CO 0.00 0.20 -0.06 -0.97 -3.45 0.00 0.00 179.45 175.17 1bwe h ASN 71 N 0.24 -0.57 0.55 4.20 -0.73 -0.53 0.22 115.58 118.96 1bwe h ASN 71 Ca 0.07 0.26 -0.03 0.00 1.87 0.00 0.00 56.30 58.47 1bwe h ASN 71 Cb 0.01 0.48 0.01 0.00 0.27 0.00 0.00 38.32 39.08 1bwe h ASN 71 CO -0.01 -0.29 -0.26 -0.09 -0.37 0.00 0.00 177.43 176.40 1bwe h ARG 72 N 0.03 -0.71 -0.34 6.67 9.65 -0.93 -3.33 114.38 125.42 1bwe h ARG 72 Ca 0.50 0.05 0.08 0.00 -1.10 0.00 0.00 59.98 59.51 1bwe h ARG 72 Cb 0.92 0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 29.65 1bwe h ARG 72 CO -0.87 -0.48 0.24 0.22 2.80 0.00 0.00 179.97 181.88 1bwe h ASP 73 N -1.06 0.10 -0.80 -3.80 3.58 -0.61 0.75 116.42 114.58 1bwe h ASP 73 Ca -0.08 0.00 0.19 0.00 0.42 0.00 0.00 57.03 57.57 1bwe h ASP 73 Cb 0.57 -0.02 -0.13 0.00 1.72 0.00 0.00 39.33 41.46 1bwe h ASP 73 CO 0.12 0.07 0.10 -0.26 -2.88 0.00 0.00 179.24 176.39 1bwe h PHE 74 N 0.12 0.12 0.00 0.28 0.04 -0.69 -3.31 116.94 113.50 1bwe h PHE 74 Ca 0.16 0.05 -0.13 0.00 2.80 0.00 0.00 57.97 60.85 1bwe h PHE 74 Cb 0.48 0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.68 1bwe h PHE 74 CO -0.00 -0.22 -1.47 1.19 -0.60 0.00 0.00 178.31 177.21 1bwe n PHE 75 N -5.29 0.00 -2.86 -0.55 3.72 -0.60 -4.96 117.46 106.93 1bwe n PHE 75 Ca 0.16 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 57.17 1bwe n PHE 75 Cb 0.55 -0.33 -0.06 0.00 -0.94 0.00 0.00 39.48 38.69 1bwe n PHE 75 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1bwe s LYS 76 N -2.17 4.68 0.00 -1.08 3.01 0.16 -5.15 119.74 119.19 1bwe s LYS 76 Ca -0.06 1.32 0.00 0.00 -1.01 0.00 0.00 55.97 56.21 1bwe s LYS 76 Cb 0.02 -3.18 0.00 0.00 -1.01 0.00 0.00 37.83 33.66 1bwe s LYS 76 CO 0.25 0.50 0.00 1.63 0.51 0.00 0.00 175.35 178.24