#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 3.25 0.00 1.47 1.02 -1.26 -4.98 119.74 119.24 3ci2 s LYS 21 Ca 0.00 -0.76 0.09 0.00 0.02 0.00 0.00 55.97 55.32 3ci2 s LYS 21 Cb 0.00 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 3ci2 s LYS 21 CO 0.00 0.47 0.54 0.25 -0.92 0.00 0.00 175.35 175.69 3ci2 n THR 22 N -0.80 0.00 -3.97 2.17 -2.24 -1.26 -4.84 114.28 103.35 3ci2 n THR 22 Ca -0.08 -0.36 -0.15 0.00 -2.27 0.00 0.00 64.05 61.19 3ci2 n THR 22 Cb 0.55 1.07 -0.15 0.00 -2.10 0.00 0.00 70.33 69.71 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 -1.51 0.24 -0.73 -0.78 1.03 -1.26 -0.11 118.70 115.59 3ci2 s GLU 23 Ca 0.06 -0.01 0.04 0.00 0.03 0.00 0.00 54.97 55.10 3ci2 s GLU 23 Cb 0.07 -0.33 0.24 0.00 -0.80 0.00 0.00 34.13 33.31 3ci2 s GLU 23 CO 0.29 -0.04 0.78 0.91 -1.33 0.00 0.00 175.26 175.87 3ci2 n TRP 24 N 3.56 3.49 0.11 4.83 8.01 -0.09 -4.88 117.44 132.47 3ci2 n TRP 24 Ca -0.20 -4.02 -0.02 0.00 -1.31 0.00 0.00 57.50 51.96 3ci2 n TRP 24 Cb 0.55 -0.70 0.22 0.00 -2.01 0.00 0.00 31.31 29.37 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 4.71 0.19 -0.89 -0.99 0.13 -1.95 -2.97 132.00 130.22 3ci2 h PRO 25 Ca 0.19 -0.10 0.20 0.00 -0.87 0.00 0.00 66.00 65.42 3ci2 h PRO 25 Cb 0.69 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.75 3ci2 h PRO 25 CO 0.87 0.61 0.59 0.93 -0.23 0.00 0.00 178.00 180.77 3ci2 h GLU 26 N 0.16 0.40 -0.95 0.86 3.07 -1.99 -0.08 114.58 116.04 3ci2 h GLU 26 Ca 0.01 -0.02 -0.60 0.00 -0.50 0.00 0.00 59.36 58.25 3ci2 h GLU 26 Cb 0.86 -0.09 -0.30 0.00 -0.84 0.00 0.00 28.75 28.38 3ci2 h GLU 26 CO 0.07 0.26 0.65 1.47 -1.40 0.00 0.00 179.01 180.06 3ci2 n LEU 27 N -4.51 7.05 -4.86 1.33 -0.00 -1.12 -4.94 117.00 109.94 3ci2 n LEU 27 Ca 0.19 -4.09 -0.31 0.00 -0.00 0.00 0.00 56.01 51.79 3ci2 n LEU 27 Cb 0.69 -0.88 -0.02 0.00 -0.00 0.00 0.00 43.42 43.21 3ci2 n LEU 27 CO 0.31 1.38 0.64 -0.69 -0.00 0.00 0.00 177.39 179.02 3ci2 s VAL 28 N -4.27 4.63 -0.98 1.47 1.01 -0.05 -3.84 120.40 118.38 3ci2 s VAL 28 Ca 0.61 0.99 0.00 0.00 0.00 0.00 0.00 61.98 63.58 3ci2 s VAL 28 Cb 0.49 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 33.11 3ci2 s VAL 28 CO 0.03 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 174.98 3ci2 n GLY 29 N -1.80 -0.36 3.72 4.51 0.00 0.20 -4.85 105.19 106.61 3ci2 n GLY 29 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.84 2.13 0.52 1.61 -0.14 -1.25 -4.68 119.74 113.09 3ci2 s LYS 30 Ca 0.00 -2.32 -0.07 0.00 -1.36 0.00 0.00 55.97 52.22 3ci2 s LYS 30 Cb 0.00 -1.50 -0.03 0.00 -1.68 0.00 0.00 37.83 34.61 3ci2 s LYS 30 CO 0.00 -0.30 0.86 -1.54 -0.76 0.00 0.00 175.35 173.61 3ci2 s SER 31 N -3.82 6.21 0.37 2.83 1.04 -1.26 -0.24 113.70 118.83 3ci2 s SER 31 Ca 0.13 1.04 0.16 0.00 0.48 0.00 0.00 55.95 57.76 3ci2 s SER 31 Cb 0.04 -2.27 0.71 0.00 0.10 0.00 0.00 66.02 64.59 3ci2 s SER 31 CO 0.07 -0.68 1.78 1.62 0.98 0.00 0.00 173.24 177.01 3ci2 h VAL 32 N 0.06 1.12 0.07 5.02 3.04 -1.73 0.15 116.25 123.97 3ci2 h VAL 32 Ca -0.46 -1.44 -0.28 0.00 -1.01 0.00 0.00 66.70 63.51 3ci2 h VAL 32 Cb 1.20 1.81 0.02 0.00 -2.01 0.00 0.00 31.29 32.32 3ci2 h VAL 32 CO 0.62 0.39 -1.14 -0.33 -1.01 0.00 0.00 177.57 176.09 3ci2 h GLU 33 N 0.00 0.56 0.07 4.17 4.39 -1.93 -2.28 114.58 119.56 3ci2 h GLU 33 Ca -0.00 -0.70 -0.00 0.00 0.34 0.00 0.00 59.36 58.99 3ci2 h GLU 33 Cb 0.78 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.66 3ci2 h GLU 33 CO 0.05 1.30 -0.04 0.93 -1.16 0.00 0.00 179.01 180.09 3ci2 h GLU 34 N 0.27 -0.09 -0.56 2.33 5.08 -1.89 -2.83 114.58 116.89 3ci2 h GLU 34 Ca -0.15 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3ci2 h GLU 34 Cb 1.81 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.98 3ci2 h GLU 34 CO 0.21 0.08 -0.51 0.00 -1.00 0.00 0.00 179.01 177.79 3ci2 h ALA 35 N 0.66 -0.56 -0.29 3.43 0.00 -0.70 -0.08 119.26 121.72 3ci2 h ALA 35 Ca -0.01 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.03 3ci2 h ALA 35 Cb 0.22 1.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 3ci2 h ALA 35 CO 0.02 -0.95 -0.34 0.87 0.00 0.00 0.00 179.25 178.85 3ci2 h LYS 36 N -0.28 -0.31 -0.57 0.00 1.57 -1.39 0.31 116.57 115.90 3ci2 h LYS 36 Ca 0.13 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.03 3ci2 h LYS 36 Cb 0.56 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.86 3ci2 h LYS 36 CO -0.68 -0.21 0.15 0.87 -0.57 0.00 0.00 179.45 179.01 3ci2 h LYS 37 N -0.32 0.29 0.16 3.15 1.57 -1.02 0.48 116.57 120.88 3ci2 h LYS 37 Ca 0.14 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3ci2 h LYS 37 Cb 0.55 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3ci2 h LYS 37 CO -0.46 0.19 -0.08 0.28 -0.57 0.00 0.00 179.45 178.81 3ci2 h VAL 38 N 0.30 0.97 -0.49 0.50 2.07 -0.04 -0.93 116.25 118.63 3ci2 h VAL 38 Ca 0.29 -0.76 0.10 0.00 0.82 0.00 0.00 66.70 67.15 3ci2 h VAL 38 Cb 0.40 1.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 3ci2 h VAL 38 CO -0.35 0.17 -0.01 0.40 0.02 0.00 0.00 177.57 177.80 3ci2 h ILE 39 N -0.59 0.61 -0.46 4.57 2.04 0.35 0.44 117.51 124.47 3ci2 h ILE 39 Ca -0.02 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 3ci2 h ILE 39 Cb 0.45 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3ci2 h ILE 39 CO 0.04 0.02 0.26 -0.07 0.00 0.00 0.00 178.15 178.40 3ci2 h LEU 40 N 0.11 0.55 -1.90 1.44 3.38 -0.09 0.28 115.31 119.08 3ci2 h LEU 40 Ca 0.25 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.21 3ci2 h LEU 40 Cb 0.37 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3ci2 h LEU 40 CO -0.42 0.44 0.13 -0.61 0.09 0.00 0.00 178.44 178.07 3ci2 h GLN 41 N 0.64 0.13 0.00 1.13 4.15 0.13 -2.67 115.11 118.62 3ci2 h GLN 41 Ca 0.17 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.55 3ci2 h GLN 41 Cb 0.00 -0.03 -0.00 0.00 0.21 0.00 0.00 27.48 27.66 3ci2 h GLN 41 CO -0.03 0.08 -0.34 0.22 -1.93 0.00 0.00 178.83 176.83 3ci2 h ASP 42 N 0.13 0.00 -3.08 -0.69 3.58 0.12 -3.43 116.42 113.05 3ci2 h ASP 42 Ca 0.08 -0.21 -0.66 0.00 0.42 0.00 0.00 57.03 56.66 3ci2 h ASP 42 Cb 0.16 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 40.82 3ci2 h ASP 42 CO -0.01 0.79 -0.33 1.17 -2.88 0.00 0.00 179.24 177.98 3ci2 n LYS 43 N -4.65 2.33 -0.05 0.28 4.81 0.78 -4.90 118.16 116.75 3ci2 n LYS 43 Ca -0.08 -4.51 0.00 0.00 -0.87 0.00 0.00 58.31 52.85 3ci2 n LYS 43 Cb 0.25 -2.34 0.01 0.00 0.02 0.00 0.00 35.03 32.97 3ci2 n LYS 43 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3ci2 n PRO 44 N 1.95 -0.02 -0.08 1.64 -0.02 -1.01 -0.79 135.00 136.66 3ci2 n PRO 44 Ca 0.22 0.21 0.04 0.00 -2.02 0.00 0.00 63.50 61.95 3ci2 n PRO 44 Cb 0.36 -0.31 0.12 0.00 -0.02 0.00 0.00 33.50 33.65 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 -4.21 1.40 -1.81 -0.52 -0.00 -1.26 -4.87 120.64 109.37 3ci2 n GLU 45 Ca 0.02 -0.62 -0.31 0.00 -0.00 0.00 0.00 57.16 56.25 3ci2 n GLU 45 Cb 0.06 -1.16 -0.04 0.00 -0.00 0.00 0.00 31.44 30.30 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 -1.78 1.63 -1.31 -1.84 0.00 0.03 -4.78 121.76 113.71 3ci2 s ALA 46 Ca 0.14 -0.65 -0.16 0.00 0.00 0.00 0.00 51.96 51.29 3ci2 s ALA 46 Cb 0.07 -4.42 -0.00 0.00 0.00 0.00 0.00 23.12 18.77 3ci2 s ALA 46 CO 0.10 -4.63 2.17 0.94 0.00 0.00 0.00 175.76 174.34 3ci2 n GLN 47 N 9.00 2.56 -2.57 0.00 7.27 0.16 -4.86 117.38 128.95 3ci2 n GLN 47 Ca 0.34 -2.43 -0.43 0.00 0.07 0.00 0.00 57.00 54.56 3ci2 n GLN 47 Cb 0.50 -3.20 -0.02 0.00 2.41 0.00 0.00 30.24 29.93 3ci2 n GLN 47 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3ci2 s ILE 48 N 3.58 4.53 0.42 1.69 1.01 -1.26 -4.75 121.20 126.41 3ci2 s ILE 48 Ca 0.49 1.84 0.07 0.00 0.00 0.00 0.00 60.65 63.05 3ci2 s ILE 48 Cb 0.14 -4.18 -0.06 0.00 0.01 0.00 0.00 42.46 38.37 3ci2 s ILE 48 CO -0.04 -0.10 0.14 -0.63 0.00 0.00 0.00 174.94 174.31 3ci2 s ILE 49 N 2.85 2.19 0.00 2.92 1.09 -1.26 -4.93 121.20 124.06 3ci2 s ILE 49 Ca 0.50 -1.77 -0.30 0.00 -1.10 0.00 0.00 60.65 57.97 3ci2 s ILE 49 Cb -0.19 -2.96 -0.05 0.00 -1.06 0.00 0.00 42.46 38.20 3ci2 s ILE 49 CO 0.13 0.00 1.30 0.54 -0.10 0.00 0.00 174.94 176.81 3ci2 s VAL 50 N -2.64 3.92 -0.26 2.92 0.11 -1.26 -4.32 120.40 118.87 3ci2 s VAL 50 Ca 0.39 1.31 -0.01 0.00 -2.93 0.00 0.00 61.98 60.74 3ci2 s VAL 50 Cb 0.05 -3.84 0.08 0.00 -1.53 0.00 0.00 36.38 31.14 3ci2 s VAL 50 CO 0.21 0.03 0.05 -0.76 -3.33 0.00 0.00 175.10 171.30 3ci2 s LEU 51 N 1.97 1.99 -0.16 2.54 1.43 -0.98 -5.00 118.68 120.47 3ci2 s LEU 51 Ca 0.60 -1.31 -0.32 0.00 -1.03 0.00 0.00 54.13 52.07 3ci2 s LEU 51 Cb -0.29 -0.84 -0.09 0.00 0.03 0.00 0.00 46.19 45.00 3ci2 s LEU 51 CO 0.26 -0.35 2.06 -2.65 0.23 0.00 0.00 176.35 175.90 3ci2 n PRO 52 N 4.88 2.01 -1.35 1.29 -0.02 -1.26 -2.38 135.00 138.16 3ci2 n PRO 52 Ca -0.06 0.66 -0.45 0.00 -2.02 0.00 0.00 63.50 61.63 3ci2 n PRO 52 Cb 0.44 -2.85 -0.02 0.00 -0.02 0.00 0.00 33.50 31.05 3ci2 n PRO 52 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3ci2 n VAL 53 N 6.41 1.52 0.00 -1.45 3.14 0.12 -1.79 118.33 126.29 3ci2 n VAL 53 Ca 0.28 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 3ci2 n VAL 53 Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.13 3ci2 n VAL 53 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3ci2 n GLY 54 N 2.10 3.09 2.97 7.55 0.00 -1.26 -4.96 105.19 114.67 3ci2 n GLY 54 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.78 0.00 -1.72 2.61 -1.04 -0.74 -4.73 114.28 107.89 3ci2 n THR 55 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 3ci2 n THR 55 Cb 0.00 -0.69 -0.03 0.00 -1.82 0.00 0.00 70.33 67.79 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 -2.03 3.12 -0.27 12.58 -1.09 -1.26 -4.68 121.20 127.57 3ci2 s ILE 56 Ca 0.47 0.06 -0.12 0.00 -2.23 0.00 0.00 60.65 58.84 3ci2 s ILE 56 Cb -0.08 -3.32 -0.13 0.00 -1.58 0.00 0.00 42.46 37.34 3ci2 s ILE 56 CO 0.39 -0.31 -0.29 1.33 -1.23 0.00 0.00 174.94 174.83 3ci2 n VAL 57 N 7.76 1.53 -1.17 2.92 0.24 -1.26 -4.65 118.33 123.69 3ci2 n VAL 57 Ca 0.32 -0.40 -0.40 0.00 -2.04 0.00 0.00 64.34 61.81 3ci2 n VAL 57 Cb 0.54 -1.81 -0.04 0.00 -1.47 0.00 0.00 33.84 31.05 3ci2 n VAL 57 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3ci2 n THR 58 N -4.08 2.14 -3.02 3.34 -1.04 -1.26 -4.77 114.28 105.59 3ci2 n THR 58 Ca -0.52 -1.76 -0.16 0.00 -2.04 0.00 0.00 64.05 59.57 3ci2 n THR 58 Cb 0.90 -2.34 0.06 0.00 -1.82 0.00 0.00 70.33 67.13 3ci2 n THR 58 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 3ci2 n MET 59 N 6.47 0.65 0.00 -2.82 1.56 -1.26 -5.14 117.12 116.58 3ci2 n MET 59 Ca 0.50 -2.56 0.00 0.00 -0.27 0.00 0.00 57.70 55.36 3ci2 n MET 59 Cb 0.36 -0.21 0.00 0.00 2.15 0.00 0.00 33.22 35.52 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 -2.06 0.63 -3.14 2.12 0.28 -1.26 -4.93 120.64 112.28 3ci2 n GLU 60 Ca 0.14 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.69 3ci2 n GLU 60 Cb 0.49 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.36 3ci2 n GLU 60 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3ci2 s TYR 61 N -0.32 3.82 -1.05 -1.84 5.04 -1.26 -4.83 117.35 116.91 3ci2 s TYR 61 Ca 0.00 -2.31 -0.06 0.00 -2.44 0.00 0.00 57.07 52.26 3ci2 s TYR 61 Cb 0.00 -4.08 0.06 0.00 0.35 0.00 0.00 41.96 38.29 3ci2 s TYR 61 CO 0.00 -1.19 2.63 0.54 -1.34 0.00 0.00 175.55 176.19 3ci2 n ARG 62 N 4.34 3.78 -0.35 4.97 5.12 -0.41 -4.68 116.66 129.43 3ci2 n ARG 62 Ca 0.29 -2.89 0.36 0.00 -1.93 0.00 0.00 57.85 53.68 3ci2 n ARG 62 Cb 0.42 -2.48 0.66 0.00 -1.16 0.00 0.00 32.46 29.89 3ci2 n ARG 62 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 3ci2 h ILE 63 N 2.45 0.12 0.00 0.55 -0.00 -1.88 0.64 117.51 119.39 3ci2 h ILE 63 Ca 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.47 3ci2 h ILE 63 Cb 0.48 0.16 0.00 0.00 -0.00 0.00 0.00 36.82 37.47 3ci2 h ILE 63 CO 1.28 0.00 0.18 -0.90 -0.00 0.00 0.00 178.15 178.71 3ci2 n ASP 64 N -3.69 0.42 -4.21 2.19 5.68 -1.26 -4.61 116.55 111.08 3ci2 n ASP 64 Ca 0.28 0.64 -0.14 0.00 -0.50 0.00 0.00 54.79 55.06 3ci2 n ASP 64 Cb 1.51 -0.63 -0.10 0.00 -1.14 0.00 0.00 41.12 40.76 3ci2 n ASP 64 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3ci2 s ARG 65 N -3.41 0.95 -0.09 0.11 0.52 0.22 0.36 118.95 117.62 3ci2 s ARG 65 Ca -0.02 -1.30 0.02 0.00 -0.52 0.00 0.00 55.73 53.92 3ci2 s ARG 65 Cb 0.05 -0.59 -0.02 0.00 0.52 0.00 0.00 34.95 34.91 3ci2 s ARG 65 CO 0.15 0.08 -0.16 0.08 0.02 0.00 0.00 175.30 175.47 3ci2 s VAL 66 N -2.84 2.83 0.07 3.52 1.01 -1.26 -0.75 120.40 122.98 3ci2 s VAL 66 Ca 0.11 -0.77 -0.27 0.00 0.00 0.00 0.00 61.98 61.05 3ci2 s VAL 66 Cb -0.00 -2.13 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 3ci2 s VAL 66 CO 0.00 0.56 0.83 -0.60 0.00 0.00 0.00 175.10 175.89 3ci2 s ARG 67 N -0.12 4.57 -0.79 2.72 6.06 0.72 -4.58 118.95 127.52 3ci2 s ARG 67 Ca -0.02 1.20 0.00 0.00 -2.50 0.00 0.00 55.73 54.41 3ci2 s ARG 67 Cb -0.14 -3.37 0.19 0.00 0.06 0.00 0.00 34.95 31.70 3ci2 s ARG 67 CO 0.04 0.26 0.64 -0.51 -2.50 0.00 0.00 175.30 173.23 3ci2 s LEU 68 N -0.06 5.26 -0.87 -0.88 1.43 -1.26 -3.09 118.68 119.21 3ci2 s LEU 68 Ca 0.41 -3.62 -0.25 0.00 -1.03 0.00 0.00 54.13 49.64 3ci2 s LEU 68 Cb -0.21 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 3ci2 s LEU 68 CO 0.25 -0.18 1.74 -0.36 0.23 0.00 0.00 176.35 178.03 3ci2 s PHE 69 N -1.18 2.02 0.43 0.29 0.40 -1.24 -2.32 117.98 116.39 3ci2 s PHE 69 Ca 0.25 0.19 0.08 0.00 -0.60 0.00 0.00 56.93 56.85 3ci2 s PHE 69 Cb -0.09 -4.28 -0.00 0.00 0.51 0.00 0.00 43.02 39.15 3ci2 s PHE 69 CO -0.12 -1.92 0.45 0.14 0.70 0.00 0.00 175.22 174.47 3ci2 s VAL 70 N 8.15 2.64 0.00 -0.44 -7.23 -1.00 -1.17 120.40 121.35 3ci2 s VAL 70 Ca 0.60 -1.26 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 3ci2 s VAL 70 Cb -0.06 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.98 3ci2 s VAL 70 CO 0.01 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 173.90 3ci2 n ASP 71 N -1.67 0.00 0.03 4.85 5.75 0.11 0.14 116.55 125.76 3ci2 n ASP 71 Ca 0.05 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.96 3ci2 n ASP 71 Cb 0.61 0.00 0.35 0.00 -1.03 0.00 0.00 41.12 41.06 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 0.12 -2.77 0.11 5.02 -1.26 -3.88 118.16 115.50 3ci2 n LYS 72 Ca 0.00 0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.22 3ci2 n LYS 72 Cb 0.00 -1.59 0.01 0.00 -0.02 0.00 0.00 35.03 33.43 3ci2 n LYS 72 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 3ci2 n LEU 73 N -1.77 1.62 -1.10 -0.35 -0.00 -1.26 -4.98 117.00 109.16 3ci2 n LEU 73 Ca 0.05 -4.14 0.00 0.00 -0.00 0.00 0.00 56.01 51.92 3ci2 n LEU 73 Cb 0.38 0.40 0.00 0.00 -0.00 0.00 0.00 43.42 44.20 3ci2 n LEU 73 CO 0.32 1.78 0.00 -0.90 -0.00 0.00 0.00 177.39 178.60 3ci2 n ASP 74 N -0.02 -0.17 -4.70 1.45 5.75 -1.25 -4.89 116.55 112.72 3ci2 n ASP 74 Ca 0.15 0.09 -0.35 0.00 -0.01 0.00 0.00 54.79 54.67 3ci2 n ASP 74 Cb 0.76 -0.50 -0.09 0.00 -1.03 0.00 0.00 41.12 40.27 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 -1.00 5.43 0.07 -1.12 0.01 -1.26 -1.78 114.94 115.30 3ci2 s ASN 75 Ca 0.00 0.17 -0.30 0.00 -0.71 0.00 0.00 52.86 52.02 3ci2 s ASN 75 Cb 0.00 -1.64 -0.09 0.00 0.41 0.00 0.00 41.25 39.93 3ci2 s ASN 75 CO 0.00 0.35 1.89 -0.63 -1.51 0.00 0.00 177.10 177.20 3ci2 s ILE 76 N -0.69 2.82 -0.21 0.60 1.01 0.67 0.04 121.20 125.44 3ci2 s ILE 76 Ca 0.11 0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.79 3ci2 s ILE 76 Cb -0.12 -3.04 -0.12 0.00 0.01 0.00 0.00 42.46 39.20 3ci2 s ILE 76 CO 0.02 -0.00 -0.22 0.00 0.00 0.00 0.00 174.94 174.74 3ci2 n ALA 77 N 6.66 1.58 -2.57 9.38 0.00 -0.32 -0.62 120.51 134.63 3ci2 n ALA 77 Ca 0.19 -0.86 -0.24 0.00 0.00 0.00 0.00 53.44 52.53 3ci2 n ALA 77 Cb 0.40 0.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.88 3ci2 n ALA 77 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3ci2 s GLN 78 N -2.40 2.10 0.14 0.00 2.00 -0.89 -4.96 119.66 115.64 3ci2 s GLN 78 Ca -0.28 -1.60 -0.30 0.00 -2.00 0.00 0.00 55.36 51.17 3ci2 s GLN 78 Cb 0.09 -2.00 -0.07 0.00 0.80 0.00 0.00 33.01 31.83 3ci2 s GLN 78 CO 0.43 0.28 1.10 0.08 -0.50 0.00 0.00 175.29 176.68 3ci2 s VAL 79 N -2.43 4.00 0.16 1.34 1.01 -1.26 -4.69 120.40 118.53 3ci2 s VAL 79 Ca 0.32 1.64 -0.31 0.00 0.00 0.00 0.00 61.98 63.63 3ci2 s VAL 79 Cb -0.04 -4.05 -0.08 0.00 0.00 0.00 0.00 36.38 32.21 3ci2 s VAL 79 CO 0.19 0.24 1.37 -2.84 0.00 0.00 0.00 175.10 174.06 3ci2 s PRO 80 N 0.02 4.33 0.05 2.72 0.02 -1.26 -4.85 135.00 136.03 3ci2 s PRO 80 Ca 0.51 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.63 3ci2 s PRO 80 Cb -0.29 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 30.99 3ci2 s PRO 80 CO 0.33 -0.38 -0.04 -0.98 -0.33 0.00 0.00 177.00 175.60 3ci2 s ARG 81 N 0.56 0.60 0.48 5.54 1.70 -1.18 -0.91 118.95 125.74 3ci2 s ARG 81 Ca 0.62 -1.09 -0.19 0.00 -0.47 0.00 0.00 55.73 54.60 3ci2 s ARG 81 Cb -0.37 0.05 -0.09 0.00 -0.57 0.00 0.00 34.95 33.97 3ci2 s ARG 81 CO 0.34 -0.06 0.98 0.08 -1.08 0.00 0.00 175.30 175.56 3ci2 s VAL 82 N -3.16 4.34 0.00 4.99 1.01 0.85 -0.20 120.40 128.23 3ci2 s VAL 82 Ca 0.02 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.30 3ci2 s VAL 82 Cb 0.02 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3ci2 s VAL 82 CO -0.06 -0.47 0.00 0.61 0.00 0.00 0.00 175.10 175.18