#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d0s h GLU 2 N 0.00 1.00 -0.24 0.11 4.81 -1.96 -2.28 114.58 116.02 2d0s h GLU 2 Ca 0.00 -0.31 -0.14 0.00 -0.13 0.00 0.00 59.36 58.78 2d0s h GLU 2 Cb 0.00 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2d0s h GLU 2 CO 0.00 0.98 -0.43 0.00 -0.73 0.00 0.00 179.01 178.83 2d0s h ALA 3 N 1.07 0.80 -0.39 2.92 0.00 -2.04 -2.04 119.26 119.58 2d0s h ALA 3 Ca 0.16 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 2d0s h ALA 3 Cb 0.54 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2d0s h ALA 3 CO 0.03 0.66 -0.01 1.25 0.00 0.00 0.00 179.25 181.18 2d0s h LEU 4 N 0.48 0.68 -0.43 0.00 6.46 -1.95 -0.22 115.31 120.32 2d0s h LEU 4 Ca 0.04 -0.31 0.04 0.00 -0.12 0.00 0.00 57.88 57.52 2d0s h LEU 4 Cb 0.95 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 40.65 2d0s h LEU 4 CO 0.08 0.83 0.21 0.00 -0.62 0.00 0.00 178.44 178.95 2d0s h ALA 5 N 0.88 0.54 -0.54 1.25 0.00 -1.22 0.03 119.26 120.19 2d0s h ALA 5 Ca 0.11 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2d0s h ALA 5 Cb 0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2d0s h ALA 5 CO 0.02 -0.14 -0.06 -0.22 0.00 0.00 0.00 179.25 178.85 2d0s h LYS 6 N 0.43 1.00 0.00 0.00 1.63 -1.32 -2.11 116.57 116.20 2d0s h LYS 6 Ca 0.19 -0.35 -0.03 0.00 -0.85 0.00 0.00 60.65 59.61 2d0s h LYS 6 Cb 0.10 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2d0s h LYS 6 CO -0.14 1.03 -0.12 0.00 -3.45 0.00 0.00 179.45 176.77 2d0s h ALA 7 N 0.94 1.59 -0.47 5.00 0.00 -0.39 -2.32 119.26 123.62 2d0s h ALA 7 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2d0s h ALA 7 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2d0s h ALA 7 CO 0.04 0.15 0.00 1.63 0.00 0.00 0.00 179.25 181.07 2d0s n LYS 8 N -4.10 2.98 -0.94 0.00 4.76 -0.06 -4.93 118.16 115.87 2d0s n LYS 8 Ca -0.02 -2.06 0.00 0.00 -2.87 0.00 0.00 58.31 53.36 2d0s n LYS 8 Cb 0.20 -1.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 2d0s n LYS 8 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2d0s n GLY 9 N 0.90 1.07 0.36 0.72 0.00 -0.87 -4.93 105.19 102.45 2d0s n GLY 9 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 2d0s n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d0s n MET 11 N -4.50 1.65 0.04 0.00 2.81 -1.26 -2.35 117.12 113.52 2d0s n MET 11 Ca 0.13 -0.94 -0.18 0.00 -1.81 0.00 0.00 57.70 54.90 2d0s n MET 11 Cb 0.38 -1.24 -0.09 0.00 -0.71 0.00 0.00 33.22 31.56 2d0s n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2d0s h ALA 12 N 3.41 0.20 -0.00 3.04 0.00 -1.88 -3.36 119.26 120.66 2d0s h ALA 12 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2d0s h ALA 12 Cb 0.40 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2d0s h ALA 12 CO 0.01 0.72 -0.52 0.00 0.00 0.00 0.00 179.25 179.46 2d0s s HIS 14 N -2.07 0.41 0.22 0.00 4.02 -1.03 -0.46 115.29 116.37 2d0s s HIS 14 Ca 0.07 -0.24 0.05 0.00 1.02 0.00 0.00 55.06 55.96 2d0s s HIS 14 Cb 0.10 -0.26 -0.05 0.00 -1.02 0.00 0.00 32.58 31.35 2d0s s HIS 14 CO 0.48 -0.05 -0.06 0.00 1.02 0.00 0.00 174.74 176.13 2d0s s ALA 15 N -0.61 1.87 0.06 -1.40 0.00 -1.25 -4.26 121.76 116.18 2d0s s ALA 15 Ca -0.04 -1.71 -0.37 0.00 0.00 0.00 0.00 51.96 49.84 2d0s s ALA 15 Cb -0.05 0.22 -0.20 0.00 0.00 0.00 0.00 23.12 23.09 2d0s s ALA 15 CO -0.00 -0.12 1.58 0.82 0.00 0.00 0.00 175.76 178.04 2d0s h ILE 16 N 2.52 0.06 -0.28 0.00 2.04 -1.95 -1.51 117.51 118.40 2d0s h ILE 16 Ca -0.38 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2d0s h ILE 16 Cb 1.22 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.36 2d0s h ILE 16 CO 0.64 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 177.89 2d0s n ASP 17 N -5.64 2.90 -3.88 1.72 5.75 -1.26 -1.99 116.55 114.15 2d0s n ASP 17 Ca -0.16 -1.85 -0.09 0.00 -0.01 0.00 0.00 54.79 52.68 2d0s n ASP 17 Cb 0.50 -0.18 -0.07 0.00 -1.03 0.00 0.00 41.12 40.34 2d0s n ASP 17 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2d0s s LYS 18 N -1.19 0.87 0.11 0.11 -2.85 -1.26 -5.04 119.74 110.50 2d0s s LYS 18 Ca 0.27 -1.00 -0.16 0.00 -1.00 0.00 0.00 55.97 54.08 2d0s s LYS 18 Cb 0.16 0.34 -0.07 0.00 -2.06 0.00 0.00 37.83 36.20 2d0s s LYS 18 CO 0.22 -0.28 0.55 -1.59 0.10 0.00 0.00 175.35 174.36 2d0s s LYS 19 N -3.88 4.06 0.00 1.78 -2.85 -1.26 -3.83 119.74 113.76 2d0s s LYS 19 Ca 0.07 0.59 0.00 0.00 -1.00 0.00 0.00 55.97 55.62 2d0s s LYS 19 Cb 0.05 -3.06 0.00 0.00 -2.06 0.00 0.00 37.83 32.76 2d0s s LYS 19 CO -0.09 0.55 0.00 1.28 0.10 0.00 0.00 175.35 177.18 2d0s n LEU 20 N 1.19 0.00 -0.06 2.77 4.77 -1.26 -4.99 117.00 119.41 2d0s n LEU 20 Ca -0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.81 2d0s n LEU 20 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2d0s n LEU 20 CO 0.42 0.00 0.97 0.58 -1.33 0.00 0.00 177.39 178.03 2d0s h VAL 21 N 0.00 1.05 -1.12 4.08 2.07 -1.86 -3.45 116.25 117.03 2d0s h VAL 21 Ca 0.00 -0.11 -0.50 0.00 0.82 0.00 0.00 66.70 66.91 2d0s h VAL 21 Cb 0.00 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2d0s h VAL 21 CO 0.00 0.06 -0.28 -0.83 0.02 0.00 0.00 177.57 176.54 2d0s s GLY 22 N -2.43 2.07 0.78 2.17 0.00 0.39 -5.03 107.32 105.27 2d0s s GLY 22 Ca -0.13 -1.77 -0.12 0.00 0.00 0.00 0.00 44.72 42.70 2d0s s GLY 22 CO 0.70 -1.72 1.14 2.56 0.00 0.00 0.00 173.10 175.78 2d0s s PRO 23 N -4.32 1.99 0.68 2.90 0.04 -1.26 -4.71 135.00 130.32 2d0s s PRO 23 Ca 0.49 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.85 2d0s s PRO 23 Cb -0.05 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.66 2d0s s PRO 23 CO 0.30 -1.89 1.15 -1.54 0.04 0.00 0.00 177.00 175.06 2d0s s SER 24 N -2.69 4.77 0.35 6.66 1.04 -1.26 -4.52 113.70 118.06 2d0s s SER 24 Ca 0.67 2.16 0.13 0.00 0.48 0.00 0.00 55.95 59.40 2d0s s SER 24 Cb -0.22 -2.57 0.64 0.00 0.10 0.00 0.00 66.02 63.97 2d0s s SER 24 CO 0.51 -1.86 1.76 1.88 0.98 0.00 0.00 173.24 176.51 2d0s h TYR 25 N -0.01 0.00 -0.21 5.02 0.99 -1.25 -2.20 116.97 119.31 2d0s h TYR 25 Ca -0.47 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.16 2d0s h TYR 25 Cb 1.27 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.98 2d0s h TYR 25 CO 0.51 0.43 -0.27 0.87 -0.00 0.00 0.00 178.16 179.71 2d0s h LYS 26 N 0.00 0.40 -0.06 4.88 1.57 -1.64 -0.51 116.57 121.20 2d0s h LYS 26 Ca -0.00 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.47 2d0s h LYS 26 Cb 0.80 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2d0s h LYS 26 CO 0.06 0.64 -0.66 -0.44 -0.57 0.00 0.00 179.45 178.47 2d0s h ASP 27 N 0.35 0.30 -0.04 0.86 3.45 -1.75 -1.74 116.42 117.84 2d0s h ASP 27 Ca 0.05 -0.18 -0.01 0.00 0.43 0.00 0.00 57.03 57.32 2d0s h ASP 27 Cb 0.66 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 39.34 2d0s h ASP 27 CO 0.05 0.88 -0.01 0.58 -1.57 0.00 0.00 179.24 179.17 2d0s h VAL 28 N 0.18 1.29 -0.54 -1.35 2.07 -1.03 -1.24 116.25 115.62 2d0s h VAL 28 Ca -0.01 -0.88 0.09 0.00 0.82 0.00 0.00 66.70 66.72 2d0s h VAL 28 Cb 1.20 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 2d0s h VAL 28 CO 0.10 0.24 0.37 0.00 0.02 0.00 0.00 177.57 178.30 2d0s h ALA 29 N 0.67 2.05 0.00 1.67 0.00 -1.02 -1.45 119.26 121.18 2d0s h ALA 29 Ca 0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2d0s h ALA 29 Cb 0.38 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2d0s h ALA 29 CO 0.00 -0.17 -0.67 0.87 0.00 0.00 0.00 179.25 179.28 2d0s h LYS 30 N 0.35 0.00 0.03 0.00 1.57 -0.96 -3.29 116.57 114.28 2d0s h LYS 30 Ca 0.25 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.76 2d0s h LYS 30 Cb 0.52 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 2d0s h LYS 30 CO -0.06 0.67 -1.43 -0.22 -0.57 0.00 0.00 179.45 177.84 2d0s h LYS 31 N 0.00 0.07 -5.50 3.15 3.64 -0.35 -3.48 116.57 114.10 2d0s h LYS 31 Ca -0.01 -0.12 -0.64 0.00 -1.27 0.00 0.00 60.65 58.61 2d0s h LYS 31 Cb 1.24 0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 32.99 2d0s h LYS 31 CO 0.09 0.84 -0.51 0.71 -2.27 0.00 0.00 179.45 178.31 2d0s s TYR 32 N -2.64 2.11 0.39 1.91 2.02 -0.63 -5.11 117.35 115.41 2d0s s TYR 32 Ca -0.04 -0.82 0.05 0.00 -0.37 0.00 0.00 57.07 55.89 2d0s s TYR 32 Cb 0.08 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.89 2d0s s TYR 32 CO 0.83 0.20 0.18 0.25 -1.57 0.00 0.00 175.55 175.44 2d0s n THR 33 N -1.24 0.00 0.14 -0.71 -2.24 -1.26 -4.76 114.28 104.21 2d0s n THR 33 Ca -0.11 -2.40 0.09 0.00 -2.27 0.00 0.00 64.05 59.36 2d0s n THR 33 Cb 0.66 0.94 0.47 0.00 -2.10 0.00 0.00 70.33 70.30 2d0s n THR 33 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2d0s n GLU 34 N -0.86 0.11 0.21 -0.78 0.00 -1.26 -0.37 120.64 117.69 2d0s n GLU 34 Ca -0.03 0.61 0.05 0.00 0.00 0.00 0.00 57.16 57.78 2d0s n GLU 34 Cb 0.61 -1.90 0.45 0.00 0.00 0.00 0.00 31.44 30.60 2d0s n GLU 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2d0s h ALA 35 N 1.92 1.49 -0.36 -1.84 0.00 -2.04 -3.07 119.26 115.37 2d0s h ALA 35 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2d0s h ALA 35 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2d0s h ALA 35 CO 0.00 0.34 0.00 -0.25 0.00 0.00 0.00 179.25 179.34 2d0s n ASP 36 N -4.14 2.40 -0.15 0.00 9.92 0.50 -4.62 116.55 120.45 2d0s n ASP 36 Ca -0.02 -1.91 -0.03 0.00 -0.53 0.00 0.00 54.79 52.30 2d0s n ASP 36 Cb 0.33 -0.24 0.06 0.00 -0.64 0.00 0.00 41.12 40.63 2d0s n ASP 36 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 2d0s h VAL 37 N 2.85 0.75 -0.87 2.53 2.07 -1.67 -2.30 116.25 119.61 2d0s h VAL 37 Ca 0.00 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2d0s h VAL 37 Cb 0.64 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 2d0s h VAL 37 CO 0.00 0.05 0.53 -0.65 0.02 0.00 0.00 177.57 177.51 2d0s h PRO 38 N 0.25 1.18 -0.37 1.57 0.11 -1.87 -1.72 132.00 131.15 2d0s h PRO 38 Ca 0.24 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 2d0s h PRO 38 Cb 0.30 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 2d0s h PRO 38 CO -0.30 0.83 0.13 -0.22 -0.21 0.00 0.00 178.00 178.23 2d0s h LYS 39 N 1.20 0.57 -0.50 1.05 3.64 -1.83 -2.83 116.57 117.89 2d0s h LYS 39 Ca 0.31 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 2d0s h LYS 39 Cb -0.06 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 2d0s h LYS 39 CO -0.06 0.57 0.01 -0.07 -2.27 0.00 0.00 179.45 177.63 2d0s h LEU 40 N 0.46 0.85 -0.60 5.20 3.38 -1.17 -2.32 115.31 121.11 2d0s h LEU 40 Ca 0.12 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.85 2d0s h LEU 40 Cb 0.23 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 2d0s h LEU 40 CO -0.01 0.95 0.30 0.58 0.09 0.00 0.00 178.44 180.35 2d0s h VAL 41 N 0.73 0.92 -0.84 1.22 2.07 -1.32 -1.56 116.25 117.47 2d0s h VAL 41 Ca 0.14 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 2d0s h VAL 41 Cb 0.51 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2d0s h VAL 41 CO 0.02 0.10 0.51 -0.33 0.02 0.00 0.00 177.57 177.89 2d0s h GLU 42 N 0.56 1.14 -0.83 1.57 3.07 -1.25 -1.88 114.58 116.97 2d0s h GLU 42 Ca 0.27 -0.10 0.01 0.00 -0.50 0.00 0.00 59.36 59.04 2d0s h GLU 42 Cb 0.21 -0.24 -0.04 0.00 -0.84 0.00 0.00 28.75 27.84 2d0s h GLU 42 CO -0.20 0.80 0.55 -0.22 -1.40 0.00 0.00 179.01 178.54 2d0s h LYS 43 N 1.16 1.08 -0.15 2.33 1.63 -1.00 0.25 116.57 121.86 2d0s h LYS 43 Ca 0.30 -0.06 -0.05 0.00 -0.85 0.00 0.00 60.65 59.98 2d0s h LYS 43 Cb -0.04 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 31.34 2d0s h LYS 43 CO -0.06 0.71 -0.12 0.28 -3.45 0.00 0.00 179.45 176.81 2d0s h VAL 44 N 1.11 1.34 0.82 2.00 2.07 -1.09 0.46 116.25 122.96 2d0s h VAL 44 Ca 0.31 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 2d0s h VAL 44 Cb -0.11 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 2d0s h VAL 44 CO -0.07 0.37 -0.43 0.50 0.02 0.00 0.00 177.57 177.95 2d0s h LYS 45 N -0.02 -1.11 0.00 1.57 3.64 -1.10 -3.03 116.57 116.51 2d0s h LYS 45 Ca 0.03 0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2d0s h LYS 45 Cb 0.64 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2d0s h LYS 45 CO 0.03 -0.74 -0.01 0.87 -2.27 0.00 0.00 179.45 177.33 2d0s h LYS 46 N -1.15 0.00 0.00 1.90 1.57 -0.61 0.18 116.57 118.46 2d0s h LYS 46 Ca -0.11 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2d0s h LYS 46 Cb 0.90 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 2d0s h LYS 46 CO 0.16 0.00 -0.02 0.41 -0.57 0.00 0.00 179.45 179.43 2d0s n GLY 47 N 1.23 -2.09 0.00 3.86 0.00 0.15 -4.28 105.19 104.07 2d0s n GLY 47 Ca 0.05 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2d0s n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d0s n GLY 48 N -0.45 1.91 2.20 -0.02 0.00 0.48 -4.83 105.19 104.48 2d0s n GLY 48 Ca 0.00 -1.91 -0.17 0.00 0.00 0.00 0.00 46.02 43.95 2d0s n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d0s n ALA 49 N -1.37 0.38 0.00 4.61 0.00 -1.26 -1.16 120.51 121.71 2d0s n ALA 49 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.08 2d0s n ALA 49 Cb 0.00 0.92 0.00 0.00 0.00 0.00 0.00 19.45 20.37 2d0s n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d0s n GLY 50 N 0.27 3.22 0.21 0.00 0.00 0.52 -4.91 105.19 104.49 2d0s n GLY 50 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 2d0s n GLY 50 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2d0s h VAL 51 N 0.00 1.31 -0.00 1.61 2.07 -1.97 -3.36 116.25 115.92 2d0s h VAL 51 Ca 0.00 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.76 2d0s h VAL 51 Cb 0.00 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2d0s h VAL 51 CO 0.00 0.55 -0.37 0.79 0.02 0.00 0.00 177.57 178.56 2d0s n TRP 52 N -4.13 0.00 -1.49 1.57 7.02 -1.26 -5.11 117.44 114.05 2d0s n TRP 52 Ca -0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.42 2d0s n TRP 52 Cb 0.61 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.50 2d0s n TRP 52 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2d0s n GLY 53 N 1.17 -1.96 0.07 6.99 0.00 -1.26 -5.00 105.19 105.19 2d0s n GLY 53 Ca 0.02 -1.18 0.12 0.00 0.00 0.00 0.00 46.02 44.98 2d0s n GLY 53 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d0s n PRO 54 N -0.41 0.27 -2.87 1.61 -0.04 -1.26 -0.35 135.00 131.95 2d0s n PRO 54 Ca 0.00 0.10 -0.42 0.00 -0.04 0.00 0.00 63.50 63.15 2d0s n PRO 54 Cb 0.00 -1.70 -0.04 0.00 -0.04 0.00 0.00 33.50 31.73 2d0s n PRO 54 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2d0s s VAL 55 N -3.15 4.85 0.51 0.52 0.11 -1.26 -4.77 120.40 117.22 2d0s s VAL 55 Ca 0.07 1.66 -0.19 0.00 -2.93 0.00 0.00 61.98 60.60 2d0s s VAL 55 Cb 0.13 -4.15 -0.07 0.00 -1.53 0.00 0.00 36.38 30.76 2d0s s VAL 55 CO 0.70 -0.01 1.03 -2.16 -3.33 0.00 0.00 175.10 171.32 2d0s s PRO 56 N 2.39 3.73 -0.15 1.54 0.04 -1.26 -4.71 135.00 136.57 2d0s s PRO 56 Ca 0.38 1.23 -0.14 0.00 0.04 0.00 0.00 61.00 62.52 2d0s s PRO 56 Cb -0.16 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 2d0s s PRO 56 CO 0.11 -0.47 0.30 1.41 0.04 0.00 0.00 177.00 178.39 2d0s s MET 57 N -3.59 4.24 0.71 4.56 -2.45 -0.31 -4.90 119.30 117.57 2d0s s MET 57 Ca 0.64 0.12 -0.14 0.00 -1.25 0.00 0.00 55.69 55.07 2d0s s MET 57 Cb -0.15 -3.42 0.03 0.00 1.25 0.00 0.00 34.83 32.55 2d0s s MET 57 CO 0.26 0.26 1.13 -1.25 1.05 0.00 0.00 175.02 176.46 2d0s s PRO 58 N 0.41 2.43 0.96 4.11 0.04 -1.26 -0.39 135.00 141.30 2d0s s PRO 58 Ca 0.17 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 2d0s s PRO 58 Cb -0.13 -1.90 0.17 0.00 0.04 0.00 0.00 34.50 32.68 2d0s s PRO 58 CO 0.04 -1.55 1.09 -1.25 0.04 0.00 0.00 177.00 175.37 2d0s s PRO 59 N -4.24 0.69 -0.54 0.56 0.05 -1.26 -4.26 135.00 126.00 2d0s s PRO 59 Ca 0.67 0.96 0.06 0.00 0.05 0.00 0.00 61.00 62.74 2d0s s PRO 59 Cb -0.22 -1.73 0.23 0.00 0.05 0.00 0.00 34.50 32.83 2d0s s PRO 59 CO 0.46 -2.67 0.60 0.72 0.05 0.00 0.00 177.00 176.16 2d0s n HIS 60 N -4.19 1.80 0.35 0.56 8.25 0.65 -4.89 115.22 117.75 2d0s n HIS 60 Ca 0.07 -3.89 0.13 0.00 -0.26 0.00 0.00 57.72 53.76 2d0s n HIS 60 Cb 0.54 -0.42 0.54 0.00 1.12 0.00 0.00 29.99 31.78 2d0s n HIS 60 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2d0s h PRO 61 N 4.41 0.00 -0.23 -0.41 0.13 -1.92 -3.15 132.00 130.84 2d0s h PRO 61 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2d0s h PRO 61 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2d0s h PRO 61 CO 0.65 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.46 2d0s n GLN 62 N -2.37 2.85 -4.16 0.86 6.02 -1.26 -4.94 117.38 114.39 2d0s n GLN 62 Ca 0.01 -1.98 -0.34 0.00 -0.01 0.00 0.00 57.00 54.68 2d0s n GLN 62 Cb 0.21 -1.25 -0.11 0.00 1.02 0.00 0.00 30.24 30.11 2d0s n GLN 62 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2d0s s VAL 63 N -1.23 4.32 0.26 5.09 1.01 -1.19 -5.04 120.40 123.62 2d0s s VAL 63 Ca 0.18 -0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.66 2d0s s VAL 63 Cb 0.11 -2.93 -0.12 0.00 0.00 0.00 0.00 36.38 33.44 2d0s s VAL 63 CO 0.10 0.46 1.64 0.00 0.00 0.00 0.00 175.10 177.31 2d0s s ALA 64 N 0.49 3.82 0.49 5.51 0.00 -1.26 -4.85 121.76 125.95 2d0s s ALA 64 Ca 0.00 1.58 0.24 0.00 0.00 0.00 0.00 51.96 53.78 2d0s s ALA 64 Cb -0.13 -3.67 1.30 0.00 0.00 0.00 0.00 23.12 20.62 2d0s s ALA 64 CO 0.02 -0.96 1.90 1.49 0.00 0.00 0.00 175.76 178.21 2d0s h GLU 65 N 5.57 0.16 -0.49 0.00 4.81 -1.96 0.87 114.58 123.54 2d0s h GLU 65 Ca -0.46 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.71 2d0s h GLU 65 Cb 1.21 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 2d0s h GLU 65 CO 0.85 0.11 0.07 0.00 -0.73 0.00 0.00 179.01 179.31 2d0s h ALA 66 N 1.62 1.19 -0.11 2.92 0.00 -2.00 -0.43 119.26 122.45 2d0s h ALA 66 Ca 0.40 -0.22 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2d0s h ALA 66 Cb 1.32 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2d0s h ALA 66 CO -0.07 0.54 -0.47 -0.44 0.00 0.00 0.00 179.25 178.81 2d0s h ASP 67 N 0.74 0.60 -0.38 0.00 3.32 -1.26 -2.61 116.42 116.83 2d0s h ASP 67 Ca 0.16 -0.63 0.06 0.00 0.02 0.00 0.00 57.03 56.63 2d0s h ASP 67 Cb 0.35 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 2d0s h ASP 67 CO 0.01 1.13 0.09 0.40 -1.72 0.00 0.00 179.24 179.15 2d0s h ILE 68 N 0.11 0.83 -0.59 0.35 2.04 -0.88 -1.83 117.51 117.53 2d0s h ILE 68 Ca -0.03 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2d0s h ILE 68 Cb 1.11 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2d0s h ILE 68 CO 0.10 0.04 0.34 -0.08 0.00 0.00 0.00 178.15 178.55 2d0s h GLU 69 N 0.23 0.82 -0.60 2.37 4.81 -1.08 -0.41 114.58 120.71 2d0s h GLU 69 Ca 0.18 -0.09 0.12 0.00 -0.13 0.00 0.00 59.36 59.45 2d0s h GLU 69 Cb 0.20 -0.16 -0.11 0.00 0.63 0.00 0.00 28.75 29.31 2d0s h GLU 69 CO -0.22 0.61 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.34 2d0s h LYS 70 N 0.80 0.03 -0.45 1.92 3.64 -1.16 -0.36 116.57 121.00 2d0s h LYS 70 Ca 0.21 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.51 2d0s h LYS 70 Cb 0.02 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2d0s h LYS 70 CO -0.04 0.02 -0.04 0.82 -2.27 0.00 0.00 179.45 177.94 2d0s h ILE 71 N 0.03 1.27 -0.62 2.00 2.04 -0.45 -2.59 117.51 119.18 2d0s h ILE 71 Ca 0.30 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.97 2d0s h ILE 71 Cb 0.47 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 2d0s h ILE 71 CO -0.59 0.39 0.14 0.58 0.00 0.00 0.00 178.15 178.66 2d0s h VAL 72 N 0.66 1.26 -0.11 1.67 2.07 -0.72 0.39 116.25 121.46 2d0s h VAL 72 Ca 0.12 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 2d0s h VAL 72 Cb 0.56 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 2d0s h VAL 72 CO 0.03 0.35 -0.26 0.03 0.02 0.00 0.00 177.57 177.74 2d0s h ARG 73 N 0.92 0.20 0.05 1.57 3.08 -1.01 -2.35 114.38 116.84 2d0s h ARG 73 Ca 0.19 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 2d0s h ARG 73 Cb 0.37 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2d0s h ARG 73 CO 0.00 0.46 -0.02 2.35 -1.07 0.00 0.00 179.97 181.69 2d0s h TRP 74 N 0.18 -0.06 -0.98 3.04 7.01 -0.84 -2.97 115.95 121.33 2d0s h TRP 74 Ca 0.03 -0.00 0.32 0.00 2.11 0.00 0.00 58.89 61.35 2d0s h TRP 74 Cb 0.57 0.02 -0.17 0.00 -2.10 0.00 0.00 29.16 27.48 2d0s h TRP 74 CO 0.01 0.42 0.30 0.28 -2.79 0.00 0.00 178.44 176.66 2d0s h VAL 75 N -0.58 0.09 0.00 2.65 2.07 -0.76 -1.16 116.25 118.56 2d0s h VAL 75 Ca -0.01 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2d0s h VAL 75 Cb 0.51 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2d0s h VAL 75 CO 0.01 0.01 0.00 0.18 0.02 0.00 0.00 177.57 177.79 2d0s n LEU 76 N -5.32 0.66 -0.07 2.57 4.77 -0.90 -2.24 117.00 116.46 2d0s n LEU 76 Ca 0.29 0.61 0.13 0.00 -0.03 0.00 0.00 56.01 57.02 2d0s n LEU 76 Cb 0.96 -0.46 0.46 0.00 -2.33 0.00 0.00 43.42 42.05 2d0s n LEU 76 CO -0.00 -0.36 0.72 0.35 -1.33 0.00 0.00 177.39 176.77 2d0s n THR 77 N -2.17 0.00 -2.42 -5.08 -2.24 -0.44 -4.71 114.28 97.21 2d0s n THR 77 Ca 0.04 -0.04 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 2d0s n THR 77 Cb 0.31 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 2d0s n THR 77 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2d0s s LEU 78 N -2.76 3.54 0.00 3.22 1.43 -0.95 -5.14 118.68 118.01 2d0s s LEU 78 Ca 0.19 -1.88 0.10 0.00 -1.03 0.00 0.00 54.13 51.51 2d0s s LEU 78 Cb 0.19 -2.58 0.08 0.00 0.03 0.00 0.00 46.19 43.91 2d0s s LEU 78 CO 0.57 -1.78 0.81 0.29 0.23 0.00 0.00 176.35 176.47