#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ci2 s LYS 21 N 0.00 1.60 -0.07 3.23 1.02 -1.26 -5.01 119.74 119.25 3ci2 s LYS 21 Ca 0.00 -1.38 0.10 0.00 0.02 0.00 0.00 55.97 54.70 3ci2 s LYS 21 Cb 0.00 -1.95 0.15 0.00 -0.52 0.00 0.00 37.83 35.51 3ci2 s LYS 21 CO 0.00 0.43 1.06 0.25 -0.92 0.00 0.00 175.35 176.17 3ci2 n THR 22 N 0.51 1.01 -3.59 2.17 -2.24 -1.26 -4.79 114.28 106.10 3ci2 n THR 22 Ca -0.14 -1.20 -0.16 0.00 -2.27 0.00 0.00 64.05 60.27 3ci2 n THR 22 Cb 0.54 0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.85 3ci2 n THR 22 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3ci2 s GLU 23 N -1.52 0.96 -0.43 -0.78 1.03 -1.26 -3.12 118.70 113.58 3ci2 s GLU 23 Ca 0.16 0.08 0.10 0.00 0.03 0.00 0.00 54.97 55.35 3ci2 s GLU 23 Cb 0.14 0.44 0.35 0.00 -0.80 0.00 0.00 34.13 34.27 3ci2 s GLU 23 CO 0.02 -0.30 0.80 0.91 -1.33 0.00 0.00 175.26 175.36 3ci2 n TRP 24 N 0.94 1.40 -0.34 4.83 8.01 -1.03 -4.83 117.44 126.41 3ci2 n TRP 24 Ca -0.20 -3.86 0.16 0.00 -1.31 0.00 0.00 57.50 52.29 3ci2 n TRP 24 Cb 0.57 -0.44 0.36 0.00 -2.01 0.00 0.00 31.31 29.80 3ci2 n TRP 24 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3ci2 h PRO 25 N 2.99 0.58 -1.35 -0.99 0.11 -1.96 0.65 132.00 132.03 3ci2 h PRO 25 Ca 0.11 -0.03 0.39 0.00 0.11 0.00 0.00 66.00 66.57 3ci2 h PRO 25 Cb 0.83 -0.13 -0.06 0.00 0.11 0.00 0.00 31.00 31.75 3ci2 h PRO 25 CO 0.60 0.38 0.96 0.93 -0.21 0.00 0.00 178.00 180.67 3ci2 h GLU 26 N 0.60 0.02 0.00 1.05 3.07 -1.95 -0.84 114.58 116.52 3ci2 h GLU 26 Ca 0.62 -0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.33 3ci2 h GLU 26 Cb 1.14 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.03 3ci2 h GLU 26 CO -0.46 0.01 -0.72 -0.07 -1.40 0.00 0.00 179.01 176.36 3ci2 h LEU 27 N 0.02 0.00 -9.35 1.33 3.38 -1.26 -3.47 115.31 105.95 3ci2 h LEU 27 Ca 0.65 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.99 3ci2 h LEU 27 Cb 2.56 0.00 0.10 0.00 0.09 0.00 0.00 40.66 43.40 3ci2 h LEU 27 CO -0.03 0.72 0.11 0.52 0.09 0.00 0.00 178.44 179.86 3ci2 n VAL 28 N -3.30 1.51 -0.56 1.22 0.31 -0.32 -1.18 118.33 116.00 3ci2 n VAL 28 Ca 0.01 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 3ci2 n VAL 28 Cb 0.82 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 3ci2 n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ci2 n GLY 29 N 1.65 1.76 3.84 2.92 0.00 -0.53 -4.86 105.19 109.97 3ci2 n GLY 29 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3ci2 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ci2 s LYS 30 N -0.04 2.23 0.73 1.61 1.02 -0.33 -4.63 119.74 120.33 3ci2 s LYS 30 Ca 0.00 -2.18 -0.07 0.00 0.02 0.00 0.00 55.97 53.74 3ci2 s LYS 30 Cb 0.00 -1.85 0.08 0.00 -0.52 0.00 0.00 37.83 35.54 3ci2 s LYS 30 CO 0.00 -0.50 1.04 -1.54 -0.92 0.00 0.00 175.35 173.43 3ci2 s SER 31 N -4.10 4.61 0.47 2.83 1.04 -1.23 0.75 113.70 118.07 3ci2 s SER 31 Ca 0.22 0.34 0.30 0.00 0.48 0.00 0.00 55.95 57.29 3ci2 s SER 31 Cb -0.01 -0.91 1.12 0.00 0.10 0.00 0.00 66.02 66.32 3ci2 s SER 31 CO 0.13 -1.73 1.87 1.62 0.98 0.00 0.00 173.24 176.12 3ci2 h VAL 32 N -0.68 0.00 0.02 5.02 3.04 -1.95 0.12 116.25 121.81 3ci2 h VAL 32 Ca -0.44 -0.53 -0.15 0.00 -1.01 0.00 0.00 66.70 64.57 3ci2 h VAL 32 Cb 1.30 1.49 -0.02 0.00 -2.01 0.00 0.00 31.29 32.05 3ci2 h VAL 32 CO 0.56 0.00 -0.79 1.05 -1.01 0.00 0.00 177.57 177.38 3ci2 h GLU 33 N 0.00 0.04 -0.35 4.17 -0.00 -1.93 -2.64 114.58 113.86 3ci2 h GLU 33 Ca 0.00 -0.06 0.08 0.00 -0.00 0.00 0.00 59.36 59.37 3ci2 h GLU 33 Cb 0.57 0.02 -0.08 0.00 -0.00 0.00 0.00 28.75 29.26 3ci2 h GLU 33 CO 0.00 1.03 -0.24 0.93 -0.00 0.00 0.00 179.01 180.73 3ci2 h GLU 34 N -0.90 -0.18 -0.77 1.06 5.08 -1.92 0.46 114.58 117.40 3ci2 h GLU 34 Ca -0.21 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.32 3ci2 h GLU 34 Cb 1.25 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.45 3ci2 h GLU 34 CO -0.09 -0.12 0.31 0.00 -1.00 0.00 0.00 179.01 178.10 3ci2 h ALA 35 N 0.96 1.10 -0.08 3.43 0.00 -0.86 0.13 119.26 123.94 3ci2 h ALA 35 Ca 0.17 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3ci2 h ALA 35 Cb 0.47 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ci2 h ALA 35 CO -0.47 -0.23 0.04 0.87 0.00 0.00 0.00 179.25 179.46 3ci2 h LYS 36 N 0.43 0.11 -0.04 0.00 1.57 0.24 0.49 116.57 119.37 3ci2 h LYS 36 Ca 0.43 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.23 3ci2 h LYS 36 Cb 0.68 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.93 3ci2 h LYS 36 CO -0.43 0.17 -0.19 0.87 -0.57 0.00 0.00 179.45 179.31 3ci2 h LYS 37 N 0.01 -0.27 0.46 3.15 1.57 -0.42 0.22 116.57 121.29 3ci2 h LYS 37 Ca 0.03 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3ci2 h LYS 37 Cb 0.10 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3ci2 h LYS 37 CO -0.00 -0.18 -0.22 0.28 -0.57 0.00 0.00 179.45 178.75 3ci2 h VAL 38 N -0.28 0.54 -0.15 0.50 2.07 -0.51 -1.65 116.25 116.76 3ci2 h VAL 38 Ca 0.07 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.48 3ci2 h VAL 38 Cb 0.38 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3ci2 h VAL 38 CO -0.21 0.03 -0.10 0.40 0.02 0.00 0.00 177.57 177.71 3ci2 h ILE 39 N -0.71 0.69 -0.51 4.57 2.04 0.22 0.55 117.51 124.36 3ci2 h ILE 39 Ca -0.06 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.87 3ci2 h ILE 39 Cb 0.52 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3ci2 h ILE 39 CO 0.10 0.00 0.34 -0.07 0.00 0.00 0.00 178.15 178.53 3ci2 h LEU 40 N -0.11 0.34 -0.63 1.44 3.38 -0.53 0.56 115.31 119.76 3ci2 h LEU 40 Ca 0.09 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3ci2 h LEU 40 Cb 0.24 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3ci2 h LEU 40 CO -0.22 0.22 0.42 1.56 0.09 0.00 0.00 178.44 180.51 3ci2 h GLN 41 N 0.39 0.82 0.12 1.13 4.20 0.11 0.43 115.11 122.30 3ci2 h GLN 41 Ca 0.23 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 3ci2 h GLN 41 Cb 0.39 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3ci2 h GLN 41 CO -0.06 0.54 -0.06 -0.44 -0.67 0.00 0.00 178.83 178.15 3ci2 h ASP 42 N 0.85 -0.13 -2.05 1.46 3.32 0.18 -3.39 116.42 116.66 3ci2 h ASP 42 Ca 0.24 -0.43 -0.58 0.00 0.02 0.00 0.00 57.03 56.27 3ci2 h ASP 42 Cb -0.08 0.03 -0.42 0.00 0.22 0.00 0.00 39.33 39.08 3ci2 h ASP 42 CO -0.06 0.44 -0.70 1.17 -1.72 0.00 0.00 179.24 178.37 3ci2 n LYS 43 N -4.89 3.14 0.00 3.56 3.00 0.17 -4.15 118.16 118.99 3ci2 n LYS 43 Ca -0.08 -4.67 0.00 0.00 -0.00 0.00 0.00 58.31 53.56 3ci2 n LYS 43 Cb 0.28 -2.20 0.00 0.00 0.00 0.00 0.00 35.03 33.11 3ci2 n LYS 43 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 3ci2 n PRO 44 N -0.28 0.00 -0.31 1.64 -0.02 0.14 -1.18 135.00 135.00 3ci2 n PRO 44 Ca 0.32 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.78 3ci2 n PRO 44 Cb 0.48 0.00 0.08 0.00 -0.02 0.00 0.00 33.50 34.05 3ci2 n PRO 44 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3ci2 n GLU 45 N -1.80 1.75 -2.25 -0.52 -0.00 -1.26 -4.68 120.64 111.88 3ci2 n GLU 45 Ca 0.00 -0.89 -0.42 0.00 -0.00 0.00 0.00 57.16 55.85 3ci2 n GLU 45 Cb 0.00 -1.53 -0.03 0.00 -0.00 0.00 0.00 31.44 29.88 3ci2 n GLU 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ci2 s ALA 46 N -1.23 3.58 -1.25 -1.84 0.00 -0.32 -4.91 121.76 115.79 3ci2 s ALA 46 Ca 0.16 0.84 -0.07 0.00 0.00 0.00 0.00 51.96 52.88 3ci2 s ALA 46 Cb 0.13 -3.60 0.19 0.00 0.00 0.00 0.00 23.12 19.84 3ci2 s ALA 46 CO 0.04 -0.93 1.90 1.04 0.00 0.00 0.00 175.76 177.81 3ci2 n GLN 47 N 5.50 4.01 -2.35 0.00 1.13 0.86 -4.83 117.38 121.69 3ci2 n GLN 47 Ca 0.13 -3.73 -0.41 0.00 -1.94 0.00 0.00 57.00 51.05 3ci2 n GLN 47 Cb 0.44 -2.79 -0.03 0.00 0.11 0.00 0.00 30.24 27.97 3ci2 n GLN 47 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3ci2 s ILE 48 N -0.60 3.56 0.51 5.09 1.01 -1.26 -4.51 121.20 124.99 3ci2 s ILE 48 Ca 0.41 1.28 0.08 0.00 0.00 0.00 0.00 60.65 62.42 3ci2 s ILE 48 Cb 0.11 -3.82 0.04 0.00 0.01 0.00 0.00 42.46 38.80 3ci2 s ILE 48 CO 0.00 0.19 0.58 -0.63 0.00 0.00 0.00 174.94 175.08 3ci2 s ILE 49 N 0.09 2.30 -0.27 2.92 -1.09 -1.26 -5.01 121.20 118.88 3ci2 s ILE 49 Ca 0.54 -1.18 -0.08 0.00 -2.23 0.00 0.00 60.65 57.71 3ci2 s ILE 49 Cb -0.33 -2.48 -0.02 0.00 -1.58 0.00 0.00 42.46 38.06 3ci2 s ILE 49 CO 0.36 0.00 0.08 0.54 -1.23 0.00 0.00 174.94 174.69 3ci2 s VAL 50 N -2.59 4.27 -0.07 2.92 0.11 -1.26 -4.34 120.40 119.44 3ci2 s VAL 50 Ca 0.52 -0.33 -0.02 0.00 -2.93 0.00 0.00 61.98 59.22 3ci2 s VAL 50 Cb -0.05 -3.07 0.03 0.00 -1.53 0.00 0.00 36.38 31.76 3ci2 s VAL 50 CO 0.32 0.24 0.01 -0.76 -3.33 0.00 0.00 175.10 171.58 3ci2 s LEU 51 N 1.59 0.53 0.27 2.54 1.43 -1.16 -5.06 118.68 118.83 3ci2 s LEU 51 Ca 0.05 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.76 3ci2 s LEU 51 Cb -0.16 -0.39 -0.10 0.00 0.03 0.00 0.00 46.19 45.57 3ci2 s LEU 51 CO 0.04 -0.21 1.23 -2.84 0.23 0.00 0.00 176.35 174.79 3ci2 s PRO 52 N 2.00 4.47 0.05 1.29 0.02 -1.26 -1.11 135.00 140.47 3ci2 s PRO 52 Ca 0.05 2.02 -0.37 0.00 0.02 0.00 0.00 61.00 62.71 3ci2 s PRO 52 Cb -0.12 -3.15 -0.19 0.00 0.02 0.00 0.00 34.50 31.06 3ci2 s PRO 52 CO -0.05 -0.06 1.07 0.28 -0.33 0.00 0.00 177.00 177.91 3ci2 n VAL 53 N 1.45 0.29 0.00 3.83 0.31 0.27 -4.61 118.33 119.87 3ci2 n VAL 53 Ca 0.01 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 3ci2 n VAL 53 Cb 0.43 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 3ci2 n VAL 53 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ci2 n GLY 54 N 1.79 2.29 3.64 2.92 0.00 -1.26 -5.03 105.19 109.53 3ci2 n GLY 54 Ca 0.19 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 45.07 3ci2 n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ci2 s THR 55 N 0.00 3.62 -2.13 2.61 -4.23 -1.26 -4.81 115.64 109.43 3ci2 s THR 55 Ca 0.00 0.71 0.31 0.00 -1.18 0.00 0.00 61.69 61.53 3ci2 s THR 55 Cb 0.00 -3.59 0.78 0.00 1.34 0.00 0.00 72.50 71.04 3ci2 s THR 55 CO 0.00 -0.21 2.07 -0.38 -0.54 0.00 0.00 174.62 175.56 3ci2 n ILE 56 N 6.20 0.00 -3.70 2.99 2.08 -1.26 -4.80 119.36 120.86 3ci2 n ILE 56 Ca 0.19 -0.08 -0.11 0.00 0.56 0.00 0.00 62.75 63.31 3ci2 n ILE 56 Cb 0.44 -0.19 -0.00 0.00 -0.75 0.00 0.00 39.64 39.14 3ci2 n ILE 56 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 3ci2 n VAL 57 N -0.65 0.00 -2.24 1.39 0.24 -1.26 -5.17 118.33 110.64 3ci2 n VAL 57 Ca 0.22 -0.90 -0.23 0.00 -2.04 0.00 0.00 64.34 61.40 3ci2 n VAL 57 Cb 0.19 -0.27 0.14 0.00 -1.47 0.00 0.00 33.84 32.43 3ci2 n VAL 57 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3ci2 n THR 58 N -0.99 0.00 -0.01 3.34 -2.24 -1.26 -5.05 114.28 108.07 3ci2 n THR 58 Ca -0.01 -1.16 -0.19 0.00 -2.27 0.00 0.00 64.05 60.42 3ci2 n THR 58 Cb 0.26 -1.22 -0.14 0.00 -2.10 0.00 0.00 70.33 67.13 3ci2 n THR 58 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 3ci2 n MET 59 N -2.98 0.73 0.00 -0.78 1.56 -1.26 -5.00 117.12 109.39 3ci2 n MET 59 Ca 0.15 0.26 0.00 0.00 -0.27 0.00 0.00 57.70 57.83 3ci2 n MET 59 Cb 0.51 -1.71 0.00 0.00 2.15 0.00 0.00 33.22 34.17 3ci2 n MET 59 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 3ci2 n GLU 60 N -3.38 1.88 -3.35 2.12 0.28 -1.26 -4.98 120.64 111.95 3ci2 n GLU 60 Ca -0.30 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.39 3ci2 n GLU 60 Cb 1.05 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.86 3ci2 n GLU 60 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 3ci2 n TYR 61 N -0.63 3.33 -2.10 -1.84 9.36 -1.26 -4.72 117.16 119.30 3ci2 n TYR 61 Ca 0.00 -3.78 -0.41 0.00 3.32 0.00 0.00 57.90 57.02 3ci2 n TYR 61 Cb 0.00 -0.76 -0.00 0.00 -0.63 0.00 0.00 39.34 37.95 3ci2 n TYR 61 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 3ci2 n ARG 62 N 1.06 3.88 -0.53 2.98 -4.01 -1.25 -4.78 116.66 114.01 3ci2 n ARG 62 Ca 0.28 -3.33 0.44 0.00 -1.04 0.00 0.00 57.85 54.20 3ci2 n ARG 62 Cb 0.39 -2.85 0.76 0.00 -3.04 0.00 0.00 32.46 27.71 3ci2 n ARG 62 CO 0.00 0.00 0.00 0.97 -3.04 0.00 0.00 177.63 175.56 3ci2 h ILE 63 N 3.34 0.17 0.00 8.89 -0.00 -1.88 -2.22 117.51 125.82 3ci2 h ILE 63 Ca 0.54 -0.01 0.00 0.00 -0.00 0.00 0.00 64.86 65.39 3ci2 h ILE 63 Cb 0.50 0.13 0.00 0.00 -0.00 0.00 0.00 36.82 37.45 3ci2 h ILE 63 CO 1.62 0.01 0.22 -2.24 -0.00 0.00 0.00 178.15 177.75 3ci2 h ASP 64 N 0.03 0.00 -3.10 2.19 2.03 -1.87 -3.39 116.42 112.31 3ci2 h ASP 64 Ca 0.79 0.00 -0.54 0.00 -0.73 0.00 0.00 57.03 56.56 3ci2 h ASP 64 Cb 3.00 0.00 -0.40 0.00 -0.83 0.00 0.00 39.33 41.10 3ci2 h ASP 64 CO -0.11 0.00 -0.76 -0.60 -1.03 0.00 0.00 179.24 176.74 3ci2 s ARG 65 N -3.85 0.51 0.30 4.15 3.52 -0.83 -0.10 118.95 122.65 3ci2 s ARG 65 Ca -0.03 -0.63 -0.30 0.00 -0.13 0.00 0.00 55.73 54.64 3ci2 s ARG 65 Cb 0.08 -1.82 -0.11 0.00 -1.56 0.00 0.00 34.95 31.54 3ci2 s ARG 65 CO 0.25 -0.85 1.52 0.08 -0.81 0.00 0.00 175.30 175.49 3ci2 s VAL 66 N 1.86 2.24 -0.11 7.11 1.01 -1.02 -4.05 120.40 127.44 3ci2 s VAL 66 Ca 0.05 0.21 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 3ci2 s VAL 66 Cb -0.17 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 3ci2 s VAL 66 CO -0.21 0.04 0.28 -0.60 0.00 0.00 0.00 175.10 174.61 3ci2 s ARG 67 N -0.85 3.98 -0.79 2.72 6.06 0.83 -4.17 118.95 126.74 3ci2 s ARG 67 Ca 0.59 0.10 0.01 0.00 -2.50 0.00 0.00 55.73 53.94 3ci2 s ARG 67 Cb -0.46 -3.32 0.19 0.00 0.06 0.00 0.00 34.95 31.43 3ci2 s ARG 67 CO 0.50 0.48 0.62 -0.51 -2.50 0.00 0.00 175.30 173.89 3ci2 s LEU 68 N -0.27 5.19 -0.58 -0.88 1.43 -1.26 -4.54 118.68 117.75 3ci2 s LEU 68 Ca 0.17 -3.70 -0.27 0.00 -1.03 0.00 0.00 54.13 49.30 3ci2 s LEU 68 Cb -0.14 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.30 3ci2 s LEU 68 CO 0.06 -0.15 1.59 -0.36 0.23 0.00 0.00 176.35 177.72 3ci2 s PHE 69 N -1.28 2.01 0.38 0.29 0.08 -1.25 -2.97 117.98 115.24 3ci2 s PHE 69 Ca 0.25 0.52 0.07 0.00 0.12 0.00 0.00 56.93 57.90 3ci2 s PHE 69 Cb -0.08 -4.29 -0.00 0.00 -0.57 0.00 0.00 43.02 38.08 3ci2 s PHE 69 CO -0.13 -2.21 0.50 0.14 -0.10 0.00 0.00 175.22 173.42 3ci2 s VAL 70 N 7.19 3.47 0.00 -0.44 -7.23 -0.26 -1.06 120.40 122.07 3ci2 s VAL 70 Ca 0.58 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 3ci2 s VAL 70 Cb -0.12 -3.19 0.00 0.00 0.56 0.00 0.00 36.38 33.63 3ci2 s VAL 70 CO 0.23 -0.08 0.00 -0.90 -0.31 0.00 0.00 175.10 174.04 3ci2 n ASP 71 N -1.72 0.00 -0.69 4.85 5.75 0.26 0.96 116.55 125.96 3ci2 n ASP 71 Ca 0.04 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.92 3ci2 n ASP 71 Cb 0.59 0.00 0.32 0.00 -1.03 0.00 0.00 41.12 41.00 3ci2 n ASP 71 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3ci2 n LYS 72 N 0.00 1.90 -2.05 0.11 4.01 -1.26 -3.75 118.16 117.12 3ci2 n LYS 72 Ca 0.00 -1.36 0.02 0.00 -0.51 0.00 0.00 58.31 56.46 3ci2 n LYS 72 Cb 0.00 -1.40 0.04 0.00 -0.51 0.00 0.00 35.03 33.16 3ci2 n LYS 72 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 3ci2 n LEU 73 N 0.58 1.43 -3.91 -0.35 -0.00 -1.26 -4.99 117.00 108.49 3ci2 n LEU 73 Ca 0.16 -2.59 -0.26 0.00 -0.00 0.00 0.00 56.01 53.32 3ci2 n LEU 73 Cb 0.38 0.17 -0.08 0.00 -0.00 0.00 0.00 43.42 43.90 3ci2 n LEU 73 CO 0.13 0.81 -0.33 -0.67 -0.00 0.00 0.00 177.39 177.33 3ci2 n ASP 74 N -0.06 0.32 -4.47 1.45 2.03 -1.25 -4.91 116.55 109.66 3ci2 n ASP 74 Ca 0.08 -0.99 -0.32 0.00 0.52 0.00 0.00 54.79 54.08 3ci2 n ASP 74 Cb 0.98 -1.24 -0.13 0.00 -0.72 0.00 0.00 41.12 40.01 3ci2 n ASP 74 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 3ci2 s ASN 75 N -3.82 3.94 -0.10 1.67 0.02 -1.26 -3.49 114.94 111.90 3ci2 s ASN 75 Ca 0.13 -0.31 -0.29 0.00 -1.02 0.00 0.00 52.86 51.37 3ci2 s ASN 75 Cb -0.08 -0.74 -0.04 0.00 0.02 0.00 0.00 41.25 40.41 3ci2 s ASN 75 CO 0.79 0.30 1.54 -0.63 0.02 0.00 0.00 177.10 179.11 3ci2 s ILE 76 N -0.84 3.80 -0.20 0.60 1.01 0.23 -0.58 121.20 125.22 3ci2 s ILE 76 Ca 0.13 0.96 0.07 0.00 0.00 0.00 0.00 60.65 61.82 3ci2 s ILE 76 Cb -0.11 -3.64 -0.17 0.00 0.01 0.00 0.00 42.46 38.56 3ci2 s ILE 76 CO 0.03 -0.10 -0.08 0.00 0.00 0.00 0.00 174.94 174.78 3ci2 n ALA 77 N 7.09 1.55 -3.38 9.38 0.00 -1.19 -1.45 120.51 132.52 3ci2 n ALA 77 Ca 0.16 -1.02 -0.33 0.00 0.00 0.00 0.00 53.44 52.26 3ci2 n ALA 77 Cb 0.44 -0.05 -0.15 0.00 0.00 0.00 0.00 19.45 19.68 3ci2 n ALA 77 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ci2 s GLN 78 N -2.43 3.22 0.00 0.00 -1.52 -0.22 -5.02 119.66 113.69 3ci2 s GLN 78 Ca -0.20 -0.76 0.00 0.00 -1.95 0.00 0.00 55.36 52.45 3ci2 s GLN 78 Cb 0.06 -2.58 0.00 0.00 -0.22 0.00 0.00 33.01 30.27 3ci2 s GLN 78 CO 0.59 0.06 0.06 0.28 -0.25 0.00 0.00 175.29 176.03 3ci2 n VAL 79 N 3.92 0.00 -0.34 1.09 0.31 -1.26 -4.61 118.33 117.44 3ci2 n VAL 79 Ca -0.19 0.29 -0.05 0.00 -0.01 0.00 0.00 64.34 64.38 3ci2 n VAL 79 Cb 0.52 -0.75 -0.05 0.00 -0.91 0.00 0.00 33.84 32.65 3ci2 n VAL 79 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3ci2 n PRO 80 N -1.13 0.73 -3.40 5.55 -0.04 -1.26 -2.48 135.00 132.98 3ci2 n PRO 80 Ca 0.00 -0.43 0.01 0.00 -0.04 0.00 0.00 63.50 63.05 3ci2 n PRO 80 Cb 0.00 -1.74 -0.04 0.00 -0.04 0.00 0.00 33.50 31.68 3ci2 n PRO 80 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 3ci2 s ARG 81 N 2.56 0.27 0.62 0.54 1.70 -1.18 -4.35 118.95 119.12 3ci2 s ARG 81 Ca 0.22 0.67 0.27 0.00 -0.47 0.00 0.00 55.73 56.43 3ci2 s ARG 81 Cb 0.10 0.39 1.41 0.00 -0.57 0.00 0.00 34.95 36.28 3ci2 s ARG 81 CO -0.00 -0.09 1.82 0.28 -1.08 0.00 0.00 175.30 176.22 3ci2 h VAL 82 N 5.43 0.19 0.00 4.99 2.07 -1.84 0.24 116.25 127.34 3ci2 h VAL 82 Ca -0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3ci2 h VAL 82 Cb 1.12 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3ci2 h VAL 82 CO 0.09 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.29