#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ci2 n LYS 21 N 0.00 3.19 -0.90 1.47 0.00 -1.26 -4.25 118.16 116.41 3ci2 n LYS 21 Ca 0.00 -1.96 -0.05 0.00 0.00 0.00 0.00 58.31 56.31 3ci2 n LYS 21 Cb 0.00 -2.68 0.27 0.00 0.00 0.00 0.00 35.03 32.61 3ci2 n LYS 21 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3ci2 n THR 22 N 3.77 2.78 -3.97 3.15 -2.24 -1.26 -4.90 114.28 111.61 3ci2 n THR 22 Ca 0.68 -1.91 -0.09 0.00 -2.27 0.00 0.00 64.05 60.45 3ci2 n THR 22 Cb 0.20 -0.34 -0.11 0.00 -2.10 0.00 0.00 70.33 67.98 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 -3.04 0.38 -0.52 -0.78 -1.05 -1.26 -0.34 118.70 112.09 3ci2 s GLU 23 Ca 0.51 -0.64 0.07 0.00 -0.15 0.00 0.00 54.97 54.77 3ci2 s GLU 23 Cb 0.42 0.14 0.28 0.00 -0.44 0.00 0.00 34.13 34.53 3ci2 s GLU 23 CO 0.10 -0.07 0.71 0.91 0.95 0.00 0.00 175.26 177.85 3ci2 n TRP 24 N 1.39 2.04 -0.17 4.83 8.01 0.40 -4.91 117.44 129.04 3ci2 n TRP 24 Ca -0.23 -3.91 -0.03 0.00 -1.31 0.00 0.00 57.50 52.03 3ci2 n TRP 24 Cb 0.56 -0.47 0.17 0.00 -2.01 0.00 0.00 31.31 29.56 3ci2 n TRP 24 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.69 175.68 3ci2 h PRO 25 N 3.80 0.92 -0.91 -0.99 0.13 -1.96 -2.68 132.00 130.31 3ci2 h PRO 25 Ca 0.14 -0.17 0.25 0.00 -0.87 0.00 0.00 66.00 65.34 3ci2 h PRO 25 Cb 0.74 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 31.68 3ci2 h PRO 25 CO 0.68 0.79 0.64 1.05 -0.23 0.00 0.00 178.00 180.93 3ci2 h GLU 26 N 0.89 0.10 -0.75 0.86 9.09 -1.98 0.08 114.58 122.86 3ci2 h GLU 26 Ca 0.20 -0.01 -0.42 0.00 0.05 0.00 0.00 59.36 59.18 3ci2 h GLU 26 Cb 0.26 -0.02 -0.24 0.00 -1.65 0.00 0.00 28.75 27.09 3ci2 h GLU 26 CO -0.01 0.06 0.33 1.47 0.05 0.00 0.00 179.01 180.92 3ci2 n LEU 27 N -4.33 5.82 -4.68 3.06 -0.00 -1.01 -4.91 117.00 110.95 3ci2 n LEU 27 Ca 0.19 -3.84 -0.41 0.00 -0.00 0.00 0.00 56.01 51.96 3ci2 n LEU 27 Cb 0.92 -0.76 -0.04 0.00 -0.00 0.00 0.00 43.42 43.54 3ci2 n LEU 27 CO 0.37 1.25 0.57 -0.69 -0.00 0.00 0.00 177.39 178.89 3ci2 s VAL 28 N -3.56 4.91 0.00 1.47 1.01 0.01 -3.30 120.40 120.94 3ci2 s VAL 28 Ca 0.53 1.60 0.00 0.00 0.00 0.00 0.00 61.98 64.12 3ci2 s VAL 28 Cb 0.45 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3ci2 s VAL 28 CO 0.05 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.82 3ci2 n GLY 29 N 3.40 0.69 3.71 4.51 0.00 0.17 -4.95 105.19 112.72 3ci2 n GLY 29 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.96 2.55 0.42 1.61 -0.14 -1.21 -4.75 119.74 117.26 3ci2 s LYS 30 Ca 0.00 -1.10 -0.11 0.00 -1.36 0.00 0.00 55.97 53.41 3ci2 s LYS 30 Cb 0.00 -2.41 -0.06 0.00 -1.68 0.00 0.00 37.83 33.68 3ci2 s LYS 30 CO 0.00 0.44 0.79 -1.54 -0.76 0.00 0.00 175.35 174.28 3ci2 s SER 31 N -3.19 6.51 0.15 2.83 1.04 -1.26 0.43 113.70 120.20 3ci2 s SER 31 Ca 0.29 1.15 -0.27 0.00 0.48 0.00 0.00 55.95 57.61 3ci2 s SER 31 Cb -0.09 -2.33 -0.01 0.00 0.10 0.00 0.00 66.02 63.69 3ci2 s SER 31 CO 0.20 -0.43 1.59 1.62 0.98 0.00 0.00 173.24 177.21 3ci2 h VAL 32 N 1.02 0.17 -0.97 5.02 3.04 -1.10 -0.32 116.25 123.11 3ci2 h VAL 32 Ca -0.47 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 65.28 3ci2 h VAL 32 Cb 1.19 0.17 -0.06 0.00 -2.01 0.00 0.00 31.29 30.57 3ci2 h VAL 32 CO 0.64 0.00 0.63 -0.33 -1.01 0.00 0.00 177.57 177.49 3ci2 h GLU 33 N -0.38 1.12 0.44 4.17 4.39 -1.94 0.98 114.58 123.36 3ci2 h GLU 33 Ca 0.12 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 3ci2 h GLU 33 Cb 0.59 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3ci2 h GLU 33 CO -0.47 0.74 -0.21 1.49 -1.16 0.00 0.00 179.01 179.40 3ci2 h GLU 34 N 1.16 -0.58 -0.72 2.33 4.81 -1.83 0.13 114.58 119.89 3ci2 h GLU 34 Ca 0.41 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.81 3ci2 h GLU 34 Cb 0.12 0.13 -0.13 0.00 0.63 0.00 0.00 28.75 29.50 3ci2 h GLU 34 CO -0.16 -0.38 -0.28 0.00 -0.73 0.00 0.00 179.01 177.46 3ci2 h ALA 35 N -0.04 0.21 0.44 2.92 0.00 0.33 0.34 119.26 123.46 3ci2 h ALA 35 Ca -0.06 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3ci2 h ALA 35 Cb 0.46 0.73 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3ci2 h ALA 35 CO 0.10 -0.56 -0.43 0.87 0.00 0.00 0.00 179.25 179.24 3ci2 h LYS 36 N -0.08 -0.85 -1.00 0.00 1.57 -0.32 0.16 116.57 116.06 3ci2 h LYS 36 Ca 0.30 0.06 0.27 0.00 -1.87 0.00 0.00 60.65 59.41 3ci2 h LYS 36 Cb 0.56 0.19 -0.13 0.00 0.08 0.00 0.00 32.23 32.93 3ci2 h LYS 36 CO -0.77 -0.57 0.58 -0.22 -0.57 0.00 0.00 179.45 177.91 3ci2 h LYS 37 N -0.88 0.49 0.32 3.15 3.11 0.12 0.12 116.57 123.00 3ci2 h LYS 37 Ca -0.04 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.75 3ci2 h LYS 37 Cb 0.77 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.90 3ci2 h LYS 37 CO -0.05 0.32 -0.15 0.28 -2.81 0.00 0.00 179.45 177.04 3ci2 h VAL 38 N 0.50 0.47 -1.02 2.00 2.07 0.16 -3.31 116.25 117.13 3ci2 h VAL 38 Ca 0.67 -0.77 0.26 0.00 0.82 0.00 0.00 66.70 67.68 3ci2 h VAL 38 Cb 1.34 0.75 -0.12 0.00 -1.52 0.00 0.00 31.29 31.74 3ci2 h VAL 38 CO -0.51 0.11 0.61 0.40 0.02 0.00 0.00 177.57 178.20 3ci2 h ILE 39 N -0.96 0.51 -0.87 4.57 2.04 0.17 0.62 117.51 123.59 3ci2 h ILE 39 Ca -0.04 -0.18 0.17 0.00 1.00 0.00 0.00 64.86 65.81 3ci2 h ILE 39 Cb 0.51 -0.05 -0.07 0.00 -0.74 0.00 0.00 36.82 36.47 3ci2 h ILE 39 CO 0.07 0.09 0.57 -0.07 0.00 0.00 0.00 178.15 178.81 3ci2 h LEU 40 N 0.52 0.52 -0.29 1.44 3.38 -0.99 0.28 115.31 120.17 3ci2 h LEU 40 Ca 0.65 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.64 3ci2 h LEU 40 Cb 1.34 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3ci2 h LEU 40 CO -0.45 0.24 0.13 1.56 0.09 0.00 0.00 178.44 180.01 3ci2 h GLN 41 N 0.54 0.42 -0.00 1.13 7.50 0.14 -2.33 115.11 122.51 3ci2 h GLN 41 Ca 0.45 -0.07 -0.00 0.00 0.50 0.00 0.00 58.65 59.53 3ci2 h GLN 41 Cb 0.91 -0.07 -0.00 0.00 0.05 0.00 0.00 27.48 28.37 3ci2 h GLN 41 CO -0.19 0.41 0.00 -0.44 -1.50 0.00 0.00 178.83 177.12 3ci2 h ASP 42 N 0.32 0.01 -2.98 1.46 5.19 -1.32 -3.37 116.42 115.72 3ci2 h ASP 42 Ca 0.10 -0.14 -0.61 0.00 -0.62 0.00 0.00 57.03 55.76 3ci2 h ASP 42 Cb 0.14 -0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.24 3ci2 h ASP 42 CO -0.01 0.14 -0.69 -0.54 -3.12 0.00 0.00 179.24 175.02 3ci2 s LYS 43 N -5.64 1.97 0.05 3.56 1.02 0.89 -5.04 119.74 116.55 3ci2 s LYS 43 Ca -0.14 -2.92 -0.04 0.00 0.02 0.00 0.00 55.97 52.89 3ci2 s LYS 43 Cb 0.05 -2.83 0.05 0.00 -0.52 0.00 0.00 37.83 34.58 3ci2 s LYS 43 CO 0.67 -1.30 0.35 -2.30 -0.92 0.00 0.00 175.35 171.84 3ci2 n PRO 44 N 2.34 -0.05 -0.30 -1.68 -0.02 -0.88 -0.19 135.00 134.22 3ci2 n PRO 44 Ca 0.21 0.35 0.05 0.00 -2.02 0.00 0.00 63.50 62.09 3ci2 n PRO 44 Cb 0.38 -0.51 0.19 0.00 -0.02 0.00 0.00 33.50 33.54 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 -4.33 2.32 -1.58 -0.52 -0.00 -1.26 -4.88 120.64 110.39 3ci2 n GLU 45 Ca 0.02 -1.49 -0.14 0.00 -0.00 0.00 0.00 57.16 55.56 3ci2 n GLU 45 Cb 0.09 -1.52 -0.08 0.00 -0.00 0.00 0.00 31.44 29.93 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 -1.64 0.61 -1.38 -1.84 0.00 0.73 -4.71 121.76 113.54 3ci2 s ALA 46 Ca 0.27 -0.96 -0.14 0.00 0.00 0.00 0.00 51.96 51.13 3ci2 s ALA 46 Cb 0.16 -4.61 0.08 0.00 0.00 0.00 0.00 23.12 18.76 3ci2 s ALA 46 CO 0.14 -6.20 2.02 0.00 0.00 0.00 0.00 175.76 171.72 3ci2 n GLN 47 N 8.66 3.12 -2.47 0.00 10.64 0.14 -4.79 117.38 132.69 3ci2 n GLN 47 Ca 0.46 -3.00 -0.35 0.00 -1.83 0.00 0.00 57.00 52.27 3ci2 n GLN 47 Cb 0.44 -3.23 -0.03 0.00 -0.86 0.00 0.00 30.24 26.57 3ci2 n GLN 47 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3ci2 s ILE 48 N 2.63 3.61 0.29 -0.39 1.01 -1.26 -4.68 121.20 122.40 3ci2 s ILE 48 Ca 0.46 1.06 0.10 0.00 0.00 0.00 0.00 60.65 62.27 3ci2 s ILE 48 Cb 0.10 -3.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 3ci2 s ILE 48 CO -0.03 -0.16 -0.14 -0.63 0.00 0.00 0.00 174.94 173.97 3ci2 s ILE 49 N -1.85 2.17 -0.01 2.92 1.09 -1.22 -4.97 121.20 119.35 3ci2 s ILE 49 Ca 0.66 -2.28 -0.22 0.00 -1.10 0.00 0.00 60.65 57.71 3ci2 s ILE 49 Cb -0.20 -2.38 -0.05 0.00 -1.06 0.00 0.00 42.46 38.77 3ci2 s ILE 49 CO 0.24 -0.36 0.64 0.54 -0.10 0.00 0.00 174.94 175.90 3ci2 s VAL 50 N -2.68 4.90 -0.14 2.92 0.11 -1.26 -3.26 120.40 120.99 3ci2 s VAL 50 Ca 0.29 1.35 -0.04 0.00 -2.93 0.00 0.00 61.98 60.65 3ci2 s VAL 50 Cb -0.01 -3.98 0.06 0.00 -1.53 0.00 0.00 36.38 30.92 3ci2 s VAL 50 CO 0.14 0.38 0.12 -0.76 -3.33 0.00 0.00 175.10 171.64 3ci2 s LEU 51 N 0.02 0.15 0.04 2.54 1.43 -1.15 -4.94 118.68 116.78 3ci2 s LEU 51 Ca 0.33 -0.27 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 3ci2 s LEU 51 Cb -0.19 -0.02 -0.05 0.00 0.03 0.00 0.00 46.19 45.96 3ci2 s LEU 51 CO 0.18 -0.31 1.13 -2.16 0.23 0.00 0.00 176.35 175.42 3ci2 s PRO 52 N 2.20 4.47 0.01 1.29 0.04 -1.26 -1.24 135.00 140.52 3ci2 s PRO 52 Ca 0.04 1.66 -0.38 0.00 0.04 0.00 0.00 61.00 62.35 3ci2 s PRO 52 Cb -0.15 -3.38 -0.19 0.00 0.04 0.00 0.00 34.50 30.82 3ci2 s PRO 52 CO -0.08 -0.19 1.01 0.28 0.04 0.00 0.00 177.00 178.06 3ci2 n VAL 53 N 3.91 0.13 0.00 -0.36 0.31 0.15 -2.39 118.33 120.08 3ci2 n VAL 53 Ca 0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 3ci2 n VAL 53 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 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 1.50 3.09 3.64 2.92 0.00 -1.26 -5.04 105.19 110.04 3ci2 n GLY 54 Ca 0.19 -1.00 -0.56 0.00 0.00 0.00 0.00 46.02 44.65 3ci2 n GLY 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ci2 n THR 55 N 0.00 0.11 -2.18 2.61 -1.04 -1.01 -4.90 114.28 107.87 3ci2 n THR 55 Ca 0.00 -0.02 -0.34 0.00 -2.04 0.00 0.00 64.05 61.65 3ci2 n THR 55 Cb 0.00 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 3ci2 n THR 55 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3ci2 s ILE 56 N 1.77 3.53 0.02 12.58 1.01 -1.26 -4.97 121.20 133.87 3ci2 s ILE 56 Ca 0.92 0.84 0.00 0.00 0.00 0.00 0.00 60.65 62.41 3ci2 s ILE 56 Cb -1.09 -3.32 0.00 0.00 0.01 0.00 0.00 42.46 38.06 3ci2 s ILE 56 CO 0.58 -0.32 0.00 1.33 0.00 0.00 0.00 174.94 176.54 3ci2 n VAL 57 N -1.63 0.09 -2.40 2.92 0.24 -1.26 -5.06 118.33 111.23 3ci2 n VAL 57 Ca 0.10 0.03 -0.40 0.00 -2.04 0.00 0.00 64.34 62.03 3ci2 n VAL 57 Cb 0.52 -1.08 -0.03 0.00 -1.47 0.00 0.00 33.84 31.79 3ci2 n VAL 57 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3ci2 s THR 58 N -2.00 3.62 0.00 3.34 2.01 -1.26 -4.89 115.64 116.45 3ci2 s THR 58 Ca 0.00 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.35 3ci2 s THR 58 Cb 0.00 -4.64 0.00 0.00 0.01 0.00 0.00 72.50 67.87 3ci2 s THR 58 CO 0.00 -1.59 0.00 0.23 -0.69 0.00 0.00 174.62 172.57 3ci2 n MET 59 N 9.32 0.00 0.00 4.92 0.00 -1.26 -5.07 117.12 125.03 3ci2 n MET 59 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.78 3ci2 n MET 59 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.72 3ci2 n MET 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 3ci2 n GLU 60 N 0.00 0.02 -2.54 0.03 -0.00 -1.26 -4.92 120.64 111.98 3ci2 n GLU 60 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.16 56.75 3ci2 n GLU 60 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.41 3ci2 n GLU 60 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 3ci2 s TYR 61 N -0.73 2.29 -1.30 -1.84 6.14 -1.26 -4.84 117.35 115.81 3ci2 s TYR 61 Ca 0.00 -0.12 -0.07 0.00 0.64 0.00 0.00 57.07 57.52 3ci2 s TYR 61 Cb 0.00 -4.62 0.01 0.00 0.42 0.00 0.00 41.96 37.77 3ci2 s TYR 61 CO 0.00 -2.07 2.72 -2.13 0.64 0.00 0.00 175.55 174.71 3ci2 n ARG 62 N 9.31 3.94 0.00 4.97 3.00 -1.26 -4.61 116.66 132.01 3ci2 n ARG 62 Ca 0.07 -2.74 0.08 0.00 -0.00 0.00 0.00 57.85 55.27 3ci2 n ARG 62 Cb 0.49 -2.63 0.37 0.00 0.00 0.00 0.00 32.46 30.70 3ci2 n ARG 62 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3ci2 n ILE 63 N 2.44 0.79 1.13 5.15 0.13 -1.26 -1.53 119.36 126.20 3ci2 n ILE 63 Ca 0.67 0.20 0.12 0.00 -1.10 0.00 0.00 62.75 62.64 3ci2 n ILE 63 Cb 0.30 -0.91 0.19 0.00 -0.84 0.00 0.00 39.64 38.38 3ci2 n ILE 63 CO 0.00 0.00 0.00 -0.90 2.80 0.00 0.00 176.55 178.45 3ci2 n ASP 64 N -1.46 2.25 -4.20 9.51 5.75 -1.26 -4.77 116.55 122.36 3ci2 n ASP 64 Ca 0.05 -1.66 -0.23 0.00 -0.01 0.00 0.00 54.79 52.93 3ci2 n ASP 64 Cb 0.18 0.13 -0.14 0.00 -1.03 0.00 0.00 41.12 40.26 3ci2 n ASP 64 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3ci2 s ARG 65 N -2.17 1.21 0.06 0.11 6.06 -0.75 0.28 118.95 123.74 3ci2 s ARG 65 Ca 0.27 -0.83 0.08 0.00 -2.50 0.00 0.00 55.73 52.75 3ci2 s ARG 65 Cb 0.20 -1.26 -0.03 0.00 0.06 0.00 0.00 34.95 33.91 3ci2 s ARG 65 CO 0.40 0.32 -0.20 0.08 -2.50 0.00 0.00 175.30 173.40 3ci2 s VAL 66 N -0.77 2.67 -0.18 7.11 1.01 -1.26 -3.01 120.40 125.98 3ci2 s VAL 66 Ca 0.05 -1.28 -0.07 0.00 0.00 0.00 0.00 61.98 60.67 3ci2 s VAL 66 Cb -0.08 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3ci2 s VAL 66 CO 0.01 0.30 0.06 0.00 0.00 0.00 0.00 175.10 175.48 3ci2 s ARG 67 N -1.53 3.92 -0.97 2.72 1.70 -0.55 -3.40 118.95 120.84 3ci2 s ARG 67 Ca 0.15 -0.34 -0.08 0.00 -0.47 0.00 0.00 55.73 54.99 3ci2 s ARG 67 Cb -0.10 -3.20 0.25 0.00 -0.57 0.00 0.00 34.95 31.32 3ci2 s ARG 67 CO 0.05 0.31 0.92 -0.51 -1.08 0.00 0.00 175.30 175.00 3ci2 s LEU 68 N 0.25 6.19 -0.65 -1.89 1.43 -1.20 -3.04 118.68 119.77 3ci2 s LEU 68 Ca 0.04 -3.38 -0.27 0.00 -1.03 0.00 0.00 54.13 49.49 3ci2 s LEU 68 Cb -0.12 -2.12 -0.00 0.00 0.03 0.00 0.00 46.19 43.97 3ci2 s LEU 68 CO 0.00 -0.33 1.67 -0.36 0.23 0.00 0.00 176.35 177.56 3ci2 s PHE 69 N -0.90 1.87 0.44 0.29 0.08 -1.25 -2.92 117.98 115.58 3ci2 s PHE 69 Ca 0.26 0.51 0.08 0.00 0.12 0.00 0.00 56.93 57.91 3ci2 s PHE 69 Cb -0.10 -4.27 0.01 0.00 -0.57 0.00 0.00 43.02 38.09 3ci2 s PHE 69 CO -0.09 -2.23 0.55 0.14 -0.10 0.00 0.00 175.22 173.49 3ci2 s VAL 70 N 7.95 2.81 0.00 -0.44 -7.23 -0.37 -1.20 120.40 121.92 3ci2 s VAL 70 Ca 0.57 -1.08 0.00 0.00 -1.81 0.00 0.00 61.98 59.66 3ci2 s VAL 70 Cb -0.11 -2.89 0.00 0.00 0.56 0.00 0.00 36.38 33.94 3ci2 s VAL 70 CO 0.19 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.08 3ci2 n ASP 71 N -1.83 0.00 -0.25 4.85 5.75 0.33 0.34 116.55 125.74 3ci2 n ASP 71 Ca 0.08 0.00 0.15 0.00 -0.01 0.00 0.00 54.79 55.00 3ci2 n ASP 71 Cb 0.60 0.00 0.67 0.00 -1.03 0.00 0.00 41.12 41.36 3ci2 n ASP 71 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 3ci2 n LYS 72 N 0.00 1.26 -2.52 0.11 4.81 -1.26 -3.60 118.16 116.96 3ci2 n LYS 72 Ca 0.00 -0.51 -0.04 0.00 -0.87 0.00 0.00 58.31 56.89 3ci2 n LYS 72 Cb 0.00 -1.49 0.05 0.00 0.02 0.00 0.00 35.03 33.61 3ci2 n LYS 72 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3ci2 n LEU 73 N -0.42 2.12 -0.79 3.14 4.77 -1.26 -5.00 117.00 119.56 3ci2 n LEU 73 Ca 0.20 -3.24 0.00 0.00 -0.03 0.00 0.00 56.01 52.94 3ci2 n LEU 73 Cb 0.26 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3ci2 n LEU 73 CO 0.19 1.17 0.00 -0.90 -1.33 0.00 0.00 177.39 176.52 3ci2 n ASP 74 N -0.52 0.00 -4.79 -1.43 5.75 -1.24 -4.88 116.55 109.44 3ci2 n ASP 74 Ca 0.14 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.56 3ci2 n ASP 74 Cb 0.86 -0.44 -0.07 0.00 -1.03 0.00 0.00 41.12 40.44 3ci2 n ASP 74 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3ci2 s ASN 75 N -0.79 6.28 0.05 -1.12 0.01 -1.26 -0.42 114.94 117.69 3ci2 s ASN 75 Ca 0.00 0.33 -0.32 0.00 -0.71 0.00 0.00 52.86 52.16 3ci2 s ASN 75 Cb 0.00 -2.08 -0.11 0.00 0.41 0.00 0.00 41.25 39.48 3ci2 s ASN 75 CO 0.00 0.28 1.87 -0.38 -1.51 0.00 0.00 177.10 177.36 3ci2 n ILE 76 N 2.85 0.50 -0.09 0.60 5.41 0.17 -0.51 119.36 128.29 3ci2 n ILE 76 Ca -0.18 -0.09 -0.12 0.00 1.00 0.00 0.00 62.75 63.36 3ci2 n ILE 76 Cb 0.53 -2.08 -0.09 0.00 -0.71 0.00 0.00 39.64 37.29 3ci2 n ILE 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ci2 n ALA 77 N 6.24 1.60 -2.50 -1.39 0.00 -0.34 0.41 120.51 124.53 3ci2 n ALA 77 Ca 0.20 -0.84 -0.24 0.00 0.00 0.00 0.00 53.44 52.56 3ci2 n ALA 77 Cb 0.36 0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.38 1.80 0.27 0.00 -1.52 -1.06 -4.95 119.66 111.82 3ci2 s GLN 78 Ca -0.22 -1.71 -0.30 0.00 -1.95 0.00 0.00 55.36 51.18 3ci2 s GLN 78 Cb 0.06 -1.84 -0.10 0.00 -0.22 0.00 0.00 33.01 30.91 3ci2 s GLN 78 CO 0.47 0.33 1.42 0.08 -0.25 0.00 0.00 175.29 177.34 3ci2 s VAL 79 N -2.48 2.66 0.22 1.09 1.01 -1.26 -4.64 120.40 117.01 3ci2 s VAL 79 Ca 0.30 0.58 -0.24 0.00 0.00 0.00 0.00 61.98 62.62 3ci2 s VAL 79 Cb -0.05 -3.37 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 3ci2 s VAL 79 CO 0.16 0.10 0.81 -2.84 0.00 0.00 0.00 175.10 173.33 3ci2 s PRO 80 N -0.66 4.49 0.19 2.72 0.02 -1.26 -4.83 135.00 135.66 3ci2 s PRO 80 Ca 0.57 1.12 -0.19 0.00 0.02 0.00 0.00 61.00 62.53 3ci2 s PRO 80 Cb -0.41 -3.03 0.04 0.00 0.02 0.00 0.00 34.50 31.11 3ci2 s PRO 80 CO 0.45 0.45 0.54 -0.98 -0.33 0.00 0.00 177.00 177.13 3ci2 s ARG 81 N -1.62 1.36 0.45 5.54 1.70 -1.17 -0.45 118.95 124.75 3ci2 s ARG 81 Ca 0.42 -0.79 -0.12 0.00 -0.47 0.00 0.00 55.73 54.77 3ci2 s ARG 81 Cb -0.20 0.53 -0.07 0.00 -0.57 0.00 0.00 34.95 34.65 3ci2 s ARG 81 CO 0.24 -0.58 0.84 0.08 -1.08 0.00 0.00 175.30 174.80 3ci2 s VAL 82 N -3.85 4.72 0.00 4.99 1.01 0.54 -1.49 120.40 126.33 3ci2 s VAL 82 Ca 0.07 0.77 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3ci2 s VAL 82 Cb -0.01 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3ci2 s VAL 82 CO -0.05 -0.61 0.00 0.61 0.00 0.00 0.00 175.10 175.06