#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 3.43 -0.02 0.00 1.51 -1.26 -2.46 117.35 118.55 1bwe s TYR 2 Ca 0.00 0.55 -0.16 0.00 -1.01 0.00 0.00 57.07 56.45 1bwe s TYR 2 Cb 0.00 -2.26 0.03 0.00 -0.11 0.00 0.00 41.96 39.62 1bwe s TYR 2 CO 0.00 -0.27 0.33 0.54 -1.11 0.00 0.00 175.55 175.04 1bwe s VAL 3 N -2.63 0.05 -0.12 0.71 0.11 0.65 -4.06 120.40 115.12 1bwe s VAL 3 Ca 0.47 -0.43 -0.06 0.00 -2.93 0.00 0.00 61.98 59.03 1bwe s VAL 3 Cb -0.10 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1bwe s VAL 3 CO 0.41 -0.23 0.09 -0.63 -3.33 0.00 0.00 175.10 171.41 1bwe s ILE 4 N -1.26 5.07 0.33 7.04 1.01 -1.26 -1.48 121.20 130.65 1bwe s ILE 4 Ca -0.13 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.60 1bwe s ILE 4 Cb -0.05 -3.20 -0.06 0.00 0.01 0.00 0.00 42.46 39.16 1bwe s ILE 4 CO 0.04 0.59 0.07 0.42 0.00 0.00 0.00 174.94 176.07 1bwe s THR 5 N -0.81 1.07 0.00 2.92 -4.23 -1.19 -4.84 115.64 108.56 1bwe s THR 5 Ca 0.13 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1bwe s THR 5 Cb -0.12 -2.73 0.00 0.00 1.34 0.00 0.00 72.50 70.99 1bwe s THR 5 CO 0.03 0.00 0.00 1.21 -0.54 0.00 0.00 174.62 175.32 1bwe n GLU 6 N -0.69 0.00 0.33 3.99 2.13 -1.26 -1.17 120.64 123.97 1bwe n GLU 6 Ca -0.03 0.00 0.22 0.00 0.66 0.00 0.00 57.16 58.02 1bwe n GLU 6 Cb 0.66 0.00 1.18 0.00 0.27 0.00 0.00 31.44 33.55 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 0.40 132.00 135.84 1bwe h PRO 7 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 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 -0.37 0.00 -0.21 0.00 0.00 178.00 177.42 1bwe n ILE 9 N -3.97 0.08 0.00 0.00 5.41 0.13 -4.67 119.36 116.32 1bwe n ILE 9 Ca -0.02 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.64 1bwe n ILE 9 Cb 0.42 -0.93 0.00 0.00 -0.71 0.00 0.00 39.64 38.41 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 7.01 0.00 5.12 7.39 0.00 -0.54 -5.02 105.19 119.16 1bwe n GLY 10 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 1bwe n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1bwe n THR 11 N 0.00 0.00 -3.96 2.61 -1.04 0.65 -4.29 114.28 108.25 1bwe n THR 11 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1bwe n THR 11 Cb 0.00 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.35 1bwe n THR 11 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1bwe s LYS 12 N 0.00 1.73 0.22 -2.82 1.02 -1.26 -3.77 119.74 114.86 1bwe s LYS 12 Ca 0.00 -1.02 0.05 0.00 0.02 0.00 0.00 55.97 55.02 1bwe s LYS 12 Cb 0.00 -2.61 -0.05 0.00 -0.52 0.00 0.00 37.83 34.65 1bwe s LYS 12 CO 0.00 -0.58 -0.05 0.00 -0.92 0.00 0.00 175.35 173.81 1bwe n ALA 14 N -0.40 0.00 0.00 0.00 0.00 -1.26 -4.92 120.51 113.92 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 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 0.00 0.00 0.25 0.00 7.64 -1.26 -4.07 113.62 116.18 1bwe n SER 15 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.99 1bwe n SER 15 Cb 0.00 0.00 0.73 0.00 -1.01 0.00 0.00 64.21 63.93 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 0.00 0.00 0.00 0.00 2.07 -1.92 -3.29 116.25 113.11 1bwe h VAL 17 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1bwe h VAL 17 Cb 0.08 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1bwe h VAL 17 CO -0.00 0.00 0.00 -1.84 0.02 0.00 0.00 177.57 175.75 1bwe n GLU 18 N -3.17 0.85 0.00 1.57 0.00 -1.17 -2.99 120.64 115.73 1bwe n GLU 18 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.11 1bwe n GLU 18 Cb 0.17 -1.08 0.00 0.00 0.00 0.00 0.00 31.44 30.53 1bwe n GLU 18 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1bwe n VAL 19 N 1.44 0.00 -1.78 3.84 3.14 -1.25 -5.04 118.33 118.69 1bwe n VAL 19 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 1bwe n VAL 19 Cb 0.42 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.17 1bwe n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1bwe h PRO 21 N 9.40 0.14 -0.19 0.00 0.13 -1.96 -2.87 132.00 136.64 1bwe h PRO 21 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1bwe h PRO 21 Cb 1.22 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1bwe h PRO 21 CO 0.94 0.13 0.00 1.33 -0.23 0.00 0.00 178.00 180.17 1bwe n VAL 22 N -4.48 1.77 -4.00 1.56 0.24 -1.26 -5.02 118.33 107.14 1bwe n VAL 22 Ca -0.01 -1.67 -0.36 0.00 -2.04 0.00 0.00 64.34 60.26 1bwe n VAL 22 Cb 0.11 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.49 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 -0.48 -2.83 -1.23 -1.34 2.03 -1.09 -4.88 116.55 106.73 1bwe n ASP 23 Ca 0.16 -1.17 -0.07 0.00 0.52 0.00 0.00 54.79 54.22 1bwe n ASP 23 Cb 0.66 -2.34 0.16 0.00 -0.72 0.00 0.00 41.12 38.88 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 -3.59 3.12 0.37 0.00 -5.25 -1.26 -0.53 121.20 114.05 1bwe s ILE 25 Ca 0.45 -0.96 0.03 0.00 -0.99 0.00 0.00 60.65 59.18 1bwe s ILE 25 Cb 0.40 -2.59 -0.04 0.00 2.95 0.00 0.00 42.46 43.17 1bwe s ILE 25 CO -0.02 0.16 0.09 -1.00 -1.79 0.00 0.00 174.94 172.39 1bwe s HIS 26 N 1.36 1.87 0.35 1.37 3.76 0.40 -4.91 115.29 119.48 1bwe s HIS 26 Ca 0.01 -1.10 0.09 0.00 -0.15 0.00 0.00 55.06 53.90 1bwe s HIS 26 Cb -0.17 -1.23 -0.07 0.00 1.11 0.00 0.00 32.58 32.22 1bwe s HIS 26 CO -0.03 -0.12 -0.09 -1.21 -0.85 0.00 0.00 174.74 172.44 1bwe s GLU 27 N -3.82 1.83 -0.03 1.40 2.02 -1.26 0.70 118.70 119.54 1bwe s GLU 27 Ca 0.30 -1.94 0.04 0.00 0.02 0.00 0.00 54.97 53.38 1bwe s GLU 27 Cb 0.06 -1.71 0.06 0.00 0.10 0.00 0.00 34.13 32.64 1bwe s GLU 27 CO 0.14 0.13 0.89 0.41 0.02 0.00 0.00 175.26 176.86 1bwe n GLY 28 N -0.81 1.34 2.28 -1.39 0.00 -1.12 -4.91 105.19 100.58 1bwe n GLY 28 Ca -0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 1bwe n GLY 28 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1bwe n GLU 29 N -0.48 -0.57 0.00 1.61 4.07 -1.26 -4.81 120.64 119.20 1bwe n GLU 29 Ca 0.03 0.29 0.00 0.00 -0.06 0.00 0.00 57.16 57.43 1bwe n GLU 29 Cb 0.47 -3.83 0.00 0.00 -0.06 0.00 0.00 31.44 28.02 1bwe n GLU 29 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 1bwe n ASP 30 N 0.01 0.54 -3.29 4.31 5.75 -1.26 -4.45 116.55 118.16 1bwe n ASP 30 Ca -0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.70 1bwe n ASP 30 Cb 0.17 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.27 1bwe n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bwe s GLN 31 N -1.97 1.81 0.70 0.11 -2.07 -1.25 -0.25 119.66 116.74 1bwe s GLN 31 Ca 0.00 -1.12 -0.09 0.00 -1.82 0.00 0.00 55.36 52.32 1bwe s GLN 31 Cb 0.00 0.53 0.03 0.00 -1.09 0.00 0.00 33.01 32.49 1bwe s GLN 31 CO 0.00 -0.84 1.05 0.71 -1.32 0.00 0.00 175.29 174.89 1bwe s TYR 32 N -2.67 3.16 -0.21 9.60 1.51 -1.26 -2.80 117.35 124.68 1bwe s TYR 32 Ca 0.16 0.78 -0.04 0.00 -1.01 0.00 0.00 57.07 56.96 1bwe s TYR 32 Cb -0.04 -3.10 0.10 0.00 -0.11 0.00 0.00 41.96 38.81 1bwe s TYR 32 CO 0.08 -1.25 0.23 0.71 -1.11 0.00 0.00 175.55 174.21 1bwe s TYR 33 N -3.29 -0.29 0.08 2.71 2.02 0.22 -4.77 117.35 114.02 1bwe s TYR 33 Ca 0.58 0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 57.20 1bwe s TYR 33 Cb -0.11 -0.36 -0.05 0.00 -0.40 0.00 0.00 41.96 41.04 1bwe s TYR 33 CO 0.48 -0.62 1.01 0.42 -1.57 0.00 0.00 175.55 175.27 1bwe s ILE 34 N 2.33 4.48 -0.37 2.71 1.01 -1.26 -0.45 121.20 129.65 1bwe s ILE 34 Ca 0.07 1.95 -0.29 0.00 0.00 0.00 0.00 60.65 62.39 1bwe s ILE 34 Cb -0.16 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.07 1bwe s ILE 34 CO -0.13 0.25 1.42 -0.62 0.00 0.00 0.00 174.94 175.86 1bwe s ASP 35 N 0.36 6.39 0.43 3.58 -1.08 0.31 -4.79 116.67 121.87 1bwe s ASP 35 Ca 0.50 0.98 0.11 0.00 -0.52 0.00 0.00 52.55 53.62 1bwe s ASP 35 Cb -0.24 -2.54 0.97 0.00 -1.46 0.00 0.00 42.92 39.65 1bwe s ASP 35 CO 0.30 -1.36 2.03 1.55 0.52 0.00 0.00 175.17 178.22 1bwe h PRO 36 N 10.48 0.43 0.00 4.34 0.13 -1.83 -0.29 132.00 145.26 1bwe h PRO 36 Ca -0.28 -0.03 -0.21 0.00 -0.87 0.00 0.00 66.00 64.62 1bwe h PRO 36 Cb 1.11 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.11 1bwe h PRO 36 CO 1.07 0.29 -1.00 -0.44 -0.23 0.00 0.00 178.00 177.68 1bwe h ASP 37 N 0.44 0.00 0.89 1.44 3.32 -1.90 -3.18 116.42 117.43 1bwe h ASP 37 Ca 0.19 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 57.02 1bwe h ASP 37 Cb 0.21 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1bwe h ASP 37 CO -0.05 0.98 -1.12 0.58 -1.72 0.00 0.00 179.24 177.91 1bwe h VAL 38 N 0.00 1.58 -2.26 -1.35 2.07 -1.86 -3.45 116.25 110.98 1bwe h VAL 38 Ca -0.02 -3.29 -0.58 0.00 0.82 0.00 0.00 66.70 63.64 1bwe h VAL 38 Cb 1.76 2.81 0.04 0.00 -1.52 0.00 0.00 31.29 34.38 1bwe h VAL 38 CO 0.13 0.91 1.00 0.00 0.02 0.00 0.00 177.57 179.63 1bwe n ILE 40 N 4.44 3.24 -4.21 0.00 -5.35 -1.26 -4.68 119.36 111.53 1bwe n ILE 40 Ca 0.19 -2.12 -0.35 0.00 -0.27 0.00 0.00 62.75 60.20 1bwe n ILE 40 Cb 0.32 -0.70 -0.03 0.00 -1.74 0.00 0.00 39.64 37.49 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 -0.99 -2.74 0.23 7.28 8.00 -1.26 -4.86 116.55 122.21 1bwe n ASP 41 Ca 0.58 -1.03 0.12 0.00 0.71 0.00 0.00 54.79 55.17 1bwe n ASP 41 Cb 1.33 -2.70 0.39 0.00 -0.02 0.00 0.00 41.12 40.12 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 0.50 1.09 5.00 0.00 0.00 -1.26 -4.95 105.19 105.57 1bwe n GLY 43 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 8.45 0.00 -0.35 4.61 0.00 -1.26 -4.49 120.51 127.48 1bwe n ALA 44 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1bwe n ALA 44 Cb 0.00 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.73 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 0.80 0.42 -0.23 0.00 9.09 -1.88 0.33 114.58 123.12 1bwe h GLU 46 Ca 0.54 -0.12 -0.07 0.00 0.05 0.00 0.00 59.36 59.76 1bwe h GLU 46 Cb 0.74 -0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.78 1bwe h GLU 46 CO -0.35 0.56 -0.16 0.00 0.05 0.00 0.00 179.01 179.11 1bwe h ALA 47 N 0.84 1.30 -0.07 1.06 0.00 -1.76 -3.16 119.26 117.46 1bwe h ALA 47 Ca 0.08 -0.27 -0.22 0.00 0.00 0.00 0.00 54.91 54.49 1bwe h ALA 47 Cb 0.35 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1bwe h ALA 47 CO 0.01 0.47 -0.85 0.28 0.00 0.00 0.00 179.25 179.15 1bwe h VAL 48 N 0.36 1.33 -2.28 0.00 2.07 -0.08 -3.42 116.25 114.23 1bwe h VAL 48 Ca 0.06 -2.16 -0.55 0.00 0.82 0.00 0.00 66.70 64.87 1bwe h VAL 48 Cb 0.50 2.18 0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1bwe h VAL 48 CO 0.03 0.67 1.31 0.00 0.02 0.00 0.00 177.57 179.60 1bwe h PRO 50 N 12.12 0.00 0.00 0.00 0.11 -1.86 0.02 132.00 142.39 1bwe h PRO 50 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1bwe h PRO 50 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1bwe h PRO 50 CO 0.95 0.00 -1.55 1.33 -0.21 0.00 0.00 178.00 178.52 1bwe n VAL 51 N -3.02 0.21 -3.63 3.15 0.24 -1.26 -5.01 118.33 109.01 1bwe n VAL 51 Ca -0.03 -0.47 -0.27 0.00 -2.04 0.00 0.00 64.34 61.53 1bwe n VAL 51 Cb 0.12 -0.05 0.04 0.00 -1.47 0.00 0.00 33.84 32.48 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 -2.33 -4.83 0.08 -1.34 7.64 -0.01 -4.90 113.62 107.92 1bwe n SER 52 Ca -0.02 -0.95 0.13 0.00 1.01 0.00 0.00 58.87 59.04 1bwe n SER 52 Cb 0.54 -3.74 0.46 0.00 -1.01 0.00 0.00 64.21 60.47 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 -4.05 2.18 -2.72 -0.43 0.00 -1.26 -4.82 120.51 109.41 1bwe n ALA 53 Ca -0.12 -0.03 -0.38 0.00 0.00 0.00 0.00 53.44 52.91 1bwe n ALA 53 Cb 0.61 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.55 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 -3.10 5.17 0.36 0.00 1.01 -1.26 -3.18 121.20 120.20 1bwe s ILE 54 Ca 0.10 1.02 0.06 0.00 0.00 0.00 0.00 60.65 61.84 1bwe s ILE 54 Cb 0.13 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 1bwe s ILE 54 CO 0.54 0.31 0.24 -0.31 0.00 0.00 0.00 174.94 175.71 1bwe s TYR 55 N 0.68 1.78 0.35 3.97 2.02 -0.55 -4.84 117.35 120.76 1bwe s TYR 55 Ca 0.27 -1.56 -0.25 0.00 -0.37 0.00 0.00 57.07 55.16 1bwe s TYR 55 Cb -0.15 -0.86 -0.10 0.00 -0.40 0.00 0.00 41.96 40.45 1bwe s TYR 55 CO 0.11 -0.70 0.96 -1.58 -1.57 0.00 0.00 175.55 172.76 1bwe s HIS 56 N -3.35 3.59 0.29 2.71 2.46 -1.26 -0.25 115.29 119.49 1bwe s HIS 56 Ca 0.35 1.74 0.04 0.00 0.47 0.00 0.00 55.06 57.66 1bwe s HIS 56 Cb 0.02 -2.93 0.73 0.00 -0.13 0.00 0.00 32.58 30.26 1bwe s HIS 56 CO 0.24 0.08 1.70 0.93 -2.47 0.00 0.00 174.74 175.22 1bwe h GLU 57 N 2.92 0.42 -0.99 2.88 5.08 -1.78 0.17 114.58 123.27 1bwe h GLU 57 Ca -0.47 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1bwe h GLU 57 Cb 1.19 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.30 1bwe h GLU 57 CO 0.64 0.28 0.66 0.22 -1.00 0.00 0.00 179.01 179.80 1bwe h ASP 58 N 0.43 1.14 0.66 1.42 3.58 -1.93 -3.18 116.42 118.53 1bwe h ASP 58 Ca 0.56 -0.03 -0.20 0.00 0.42 0.00 0.00 57.03 57.78 1bwe h ASP 58 Cb 1.05 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 1bwe h ASP 58 CO -0.51 0.83 -0.92 -0.26 -2.88 0.00 0.00 179.24 175.49 1bwe h PHE 59 N 1.34 0.25 -2.44 0.28 -1.00 -1.07 -3.45 116.94 110.86 1bwe h PHE 59 Ca 0.36 -0.15 -0.55 0.00 2.81 0.00 0.00 57.97 60.44 1bwe h PHE 59 Cb -0.15 -0.02 0.05 0.00 3.61 0.00 0.00 35.95 39.44 1bwe h PHE 59 CO 0.00 0.99 0.94 0.28 -1.61 0.00 0.00 178.31 178.91 1bwe n VAL 60 N -3.60 0.08 -1.61 -0.55 0.31 -0.80 -4.92 118.33 107.23 1bwe n VAL 60 Ca -0.03 -0.01 -0.41 0.00 -0.01 0.00 0.00 64.34 63.87 1bwe n VAL 60 Cb 0.84 -1.81 0.01 0.00 -0.91 0.00 0.00 33.84 31.97 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 4.09 1.37 -0.31 5.55 -0.02 -1.26 -4.51 135.00 139.92 1bwe n PRO 61 Ca 0.17 0.49 0.14 0.00 -2.02 0.00 0.00 63.50 62.28 1bwe n PRO 61 Cb 0.32 -2.05 0.30 0.00 -0.02 0.00 0.00 33.50 32.06 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 1.58 0.14 -0.74 -0.52 3.07 -1.93 0.43 114.58 116.60 1bwe h GLU 62 Ca -0.44 -0.01 0.17 0.00 -0.50 0.00 0.00 59.36 58.57 1bwe h GLU 62 Cb 1.34 -0.03 -0.13 0.00 -0.84 0.00 0.00 28.75 29.09 1bwe h GLU 62 CO 0.57 0.09 0.00 0.93 -1.40 0.00 0.00 179.01 179.21 1bwe h GLU 63 N 0.14 0.10 -0.01 2.33 3.07 -2.03 -1.64 114.58 116.55 1bwe h GLU 63 Ca 0.57 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.42 1bwe h GLU 63 Cb 1.18 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1bwe h GLU 63 CO -0.72 0.07 -0.41 0.91 -1.40 0.00 0.00 179.01 177.46 1bwe n TRP 64 N -5.34 0.00 0.21 4.33 8.01 0.12 -3.78 117.44 120.99 1bwe n TRP 64 Ca 0.13 0.00 0.14 0.00 -1.31 0.00 0.00 57.50 56.46 1bwe n TRP 64 Cb 0.46 -0.11 0.74 0.00 -2.01 0.00 0.00 31.31 30.39 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 1.18 0.00 -0.53 -0.99 1.57 0.31 0.17 116.57 118.27 1bwe h LYS 65 Ca 0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.88 1bwe h LYS 65 Cb 0.56 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.79 1bwe h LYS 65 CO 0.00 0.00 0.10 0.66 -0.57 0.00 0.00 179.45 179.64 1bwe h SER 66 N 0.00 -0.02 0.27 0.86 4.64 -1.67 -0.49 113.55 117.14 1bwe h SER 66 Ca 0.00 0.10 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 1bwe h SER 66 Cb 0.01 0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1bwe h SER 66 CO 0.00 0.01 -0.28 1.88 -0.87 0.00 0.00 176.83 177.57 1bwe h TYR 67 N 0.23 0.02 -0.01 4.77 0.05 -0.96 -1.39 116.97 119.69 1bwe h TYR 67 Ca 0.27 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.05 1bwe h TYR 67 Cb 0.38 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.12 1bwe h TYR 67 CO -0.24 0.30 0.01 0.82 -1.05 0.00 0.00 178.16 177.99 1bwe h ILE 68 N 0.02 1.12 -0.87 -2.88 5.03 -1.11 0.25 117.51 119.07 1bwe h ILE 68 Ca 0.00 -0.36 0.11 0.00 -0.12 0.00 0.00 64.86 64.49 1bwe h ILE 68 Cb 0.51 1.35 -0.08 0.00 -3.03 0.00 0.00 36.82 35.57 1bwe h ILE 68 CO 0.04 0.10 0.50 -0.61 -0.68 0.00 0.00 178.15 177.50 1bwe h GLN 69 N -0.13 0.77 -0.00 2.37 5.75 -0.76 0.21 115.11 123.32 1bwe h GLN 69 Ca 0.00 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1bwe h GLN 69 Cb 0.15 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.53 1bwe h GLN 69 CO -0.00 0.51 0.00 -0.22 -2.65 0.00 0.00 178.83 176.47 1bwe h LYS 70 N 0.80 0.00 -0.85 1.69 1.63 -0.67 0.65 116.57 119.81 1bwe h LYS 70 Ca 0.44 -0.00 0.11 0.00 -0.85 0.00 0.00 60.65 60.35 1bwe h LYS 70 Cb 0.47 -0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.01 1bwe h LYS 70 CO -0.28 0.28 0.48 -0.91 -3.45 0.00 0.00 179.45 175.57 1bwe h ASN 71 N -0.28 0.66 0.77 4.20 2.35 -0.09 0.38 115.58 123.57 1bwe h ASN 71 Ca 0.00 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.77 1bwe h ASN 71 Cb 0.28 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 38.60 1bwe h ASN 71 CO 0.00 0.35 -0.37 -0.09 -1.65 0.00 0.00 177.43 175.67 1bwe h ARG 72 N 0.76 -0.99 -0.63 0.81 2.43 -0.38 -3.30 114.38 113.07 1bwe h ARG 72 Ca 0.43 0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.72 1bwe h ARG 72 Cb 0.47 0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 30.19 1bwe h ARG 72 CO -0.28 -0.65 0.35 0.22 -1.51 0.00 0.00 179.97 178.10 1bwe h ASP 73 N -1.15 0.52 -0.91 -3.80 3.58 -0.54 -3.04 116.42 111.08 1bwe h ASP 73 Ca -0.11 0.03 0.17 0.00 0.42 0.00 0.00 57.03 57.54 1bwe h ASP 73 Cb 0.81 -0.08 -0.17 0.00 1.72 0.00 0.00 39.33 41.61 1bwe h ASP 73 CO 0.17 0.35 -0.26 0.49 -2.88 0.00 0.00 179.24 177.11 1bwe n PHE 74 N -4.80 0.26 0.42 0.28 3.72 0.10 -1.40 117.46 116.04 1bwe n PHE 74 Ca 0.07 1.12 0.09 0.00 -0.05 0.00 0.00 57.45 58.68 1bwe n PHE 74 Cb 0.15 -0.98 -0.13 0.00 -0.94 0.00 0.00 39.48 37.58 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 -5.46 0.00 -2.51 1.38 3.72 -1.22 -4.55 117.46 108.82 1bwe n PHE 75 Ca 0.13 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.10 1bwe n PHE 75 Cb 0.44 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 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 -1.80 3.47 0.00 -1.08 4.01 -0.49 -5.18 118.16 117.09 1bwe n LYS 76 Ca -0.00 -3.56 0.00 0.00 -0.51 0.00 0.00 58.31 54.23 1bwe n LYS 76 Cb 0.39 -3.01 0.00 0.00 -0.51 0.00 0.00 35.03 31.90 1bwe n LYS 76 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46