#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 2.64 -0.33 1.47 2.20 -1.26 -4.86 119.74 119.60 3ci2 s LYS 21 Ca 0.00 -2.85 0.06 0.00 -0.36 0.00 0.00 55.97 52.83 3ci2 s LYS 21 Cb 0.00 -3.68 0.63 0.00 -1.51 0.00 0.00 37.83 33.27 3ci2 s LYS 21 CO 0.00 -1.20 1.73 0.25 -0.36 0.00 0.00 175.35 175.77 3ci2 n THR 22 N 2.92 2.75 -4.08 3.43 -2.24 -1.26 -4.91 114.28 110.90 3ci2 n THR 22 Ca 0.12 -1.52 -0.09 0.00 -2.27 0.00 0.00 64.05 60.30 3ci2 n THR 22 Cb 0.36 -0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 68.03 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 -2.76 0.58 -0.49 -0.78 -1.05 -1.26 0.15 118.70 113.09 3ci2 s GLU 23 Ca 0.49 -1.04 0.05 0.00 -0.15 0.00 0.00 54.97 54.31 3ci2 s GLU 23 Cb 0.40 0.04 0.18 0.00 -0.44 0.00 0.00 34.13 34.31 3ci2 s GLU 23 CO 0.11 -0.06 0.41 0.91 0.95 0.00 0.00 175.26 177.59 3ci2 n TRP 24 N 0.60 0.27 0.16 4.83 8.01 0.41 -4.93 117.44 126.79 3ci2 n TRP 24 Ca -0.17 -3.60 0.03 0.00 -1.31 0.00 0.00 57.50 52.46 3ci2 n TRP 24 Cb 0.59 -0.03 0.20 0.00 -2.01 0.00 0.00 31.31 30.05 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 5.35 0.00 -0.83 -0.99 0.13 -1.96 -3.27 132.00 130.42 3ci2 h PRO 25 Ca 0.22 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.59 3ci2 h PRO 25 Cb 0.86 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.96 3ci2 h PRO 25 CO 0.48 0.47 0.62 0.93 -0.23 0.00 0.00 178.00 180.27 3ci2 h GLU 26 N 0.00 0.00 0.00 0.86 3.07 -1.99 0.20 114.58 116.72 3ci2 h GLU 26 Ca -0.00 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.71 3ci2 h GLU 26 Cb 1.12 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.01 3ci2 h GLU 26 CO 0.06 0.00 -0.71 -0.07 -1.40 0.00 0.00 179.01 176.89 3ci2 h LEU 27 N 0.00 0.00 -9.38 1.33 4.07 -1.94 -3.47 115.31 105.92 3ci2 h LEU 27 Ca 0.40 0.00 -0.63 0.00 0.08 0.00 0.00 57.88 57.72 3ci2 h LEU 27 Cb 1.63 0.00 0.09 0.00 1.08 0.00 0.00 40.66 43.46 3ci2 h LEU 27 CO -0.00 0.71 0.22 0.52 -1.08 0.00 0.00 178.44 178.80 3ci2 n VAL 28 N -3.39 1.29 -0.41 1.22 0.31 0.70 -1.34 118.33 116.72 3ci2 n VAL 28 Ca 0.00 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3ci2 n VAL 28 Cb 0.78 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 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 1.76 0.72 3.49 2.92 0.00 -1.17 -5.02 105.19 107.88 3ci2 n GLY 29 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.59 1.71 0.79 1.61 1.02 -0.45 -4.84 119.74 118.99 3ci2 s LYS 30 Ca 0.00 -1.95 -0.06 0.00 0.02 0.00 0.00 55.97 53.98 3ci2 s LYS 30 Cb 0.00 -1.06 0.14 0.00 -0.52 0.00 0.00 37.83 36.39 3ci2 s LYS 30 CO 0.00 -0.14 1.10 -1.54 -0.92 0.00 0.00 175.35 173.85 3ci2 s SER 31 N -3.53 4.00 0.30 2.83 1.04 -1.25 0.63 113.70 117.71 3ci2 s SER 31 Ca 0.36 -0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.68 3ci2 s SER 31 Cb 0.09 -0.20 0.46 0.00 0.10 0.00 0.00 66.02 66.46 3ci2 s SER 31 CO 0.16 -2.11 1.91 1.62 0.98 0.00 0.00 173.24 175.80 3ci2 h VAL 32 N -0.88 1.21 -0.10 5.02 3.04 -1.89 0.64 116.25 123.29 3ci2 h VAL 32 Ca -0.40 -0.55 -0.02 0.00 -1.01 0.00 0.00 66.70 64.73 3ci2 h VAL 32 Cb 1.26 0.32 -0.00 0.00 -2.01 0.00 0.00 31.29 30.86 3ci2 h VAL 32 CO 0.41 0.24 -0.01 -0.33 -1.01 0.00 0.00 177.57 176.87 3ci2 h GLU 33 N 0.94 0.18 -0.79 4.17 4.39 -1.95 0.27 114.58 121.79 3ci2 h GLU 33 Ca 0.24 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.88 3ci2 h GLU 33 Cb 0.05 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 3ci2 h GLU 33 CO -0.04 0.46 0.52 0.93 -1.16 0.00 0.00 179.01 179.72 3ci2 h GLU 34 N -0.12 1.05 0.33 2.33 4.39 -1.91 0.13 114.58 120.78 3ci2 h GLU 34 Ca 0.03 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 3ci2 h GLU 34 Cb 0.38 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 3ci2 h GLU 34 CO 0.01 0.70 -0.47 0.00 -1.16 0.00 0.00 179.01 178.08 3ci2 h ALA 35 N 1.29 -1.06 -0.71 3.43 0.00 -0.54 -1.74 119.26 119.92 3ci2 h ALA 35 Ca 0.29 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.19 3ci2 h ALA 35 Cb -0.12 0.76 -0.13 0.00 0.00 0.00 0.00 17.79 18.30 3ci2 h ALA 35 CO -0.06 -1.13 -0.19 0.87 0.00 0.00 0.00 179.25 178.74 3ci2 h LYS 36 N -0.84 -0.01 -0.66 0.00 1.57 0.07 0.43 116.57 117.13 3ci2 h LYS 36 Ca -0.04 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.88 3ci2 h LYS 36 Cb 0.76 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.97 3ci2 h LYS 36 CO -0.14 -0.01 0.04 -0.22 -0.57 0.00 0.00 179.45 178.56 3ci2 h LYS 37 N -0.01 0.14 0.00 3.15 3.64 -0.51 0.13 116.57 123.11 3ci2 h LYS 37 Ca 0.34 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.68 3ci2 h LYS 37 Cb 0.52 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3ci2 h LYS 37 CO -0.73 0.09 -0.10 0.28 -2.27 0.00 0.00 179.45 176.72 3ci2 h VAL 38 N 0.15 1.63 -0.68 2.00 2.07 0.56 -3.31 116.25 118.67 3ci2 h VAL 38 Ca 0.35 -1.99 0.15 0.00 0.82 0.00 0.00 66.70 66.03 3ci2 h VAL 38 Cb 0.58 2.95 -0.12 0.00 -1.52 0.00 0.00 31.29 33.19 3ci2 h VAL 38 CO -0.54 0.53 0.00 0.40 0.02 0.00 0.00 177.57 177.98 3ci2 h ILE 39 N -0.72 0.43 0.00 4.57 2.04 0.12 0.60 117.51 124.54 3ci2 h ILE 39 Ca -0.01 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3ci2 h ILE 39 Cb 0.92 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3ci2 h ILE 39 CO 0.02 0.02 0.00 0.18 0.00 0.00 0.00 178.15 178.37 3ci2 n LEU 40 N -5.31 0.36 -0.02 1.44 4.77 0.40 0.57 117.00 119.21 3ci2 n LEU 40 Ca 0.11 0.63 -0.16 0.00 -0.03 0.00 0.00 56.01 56.56 3ci2 n LEU 40 Cb 0.40 -0.64 -0.13 0.00 -2.33 0.00 0.00 43.42 40.73 3ci2 n LEU 40 CO 0.08 -0.64 0.30 1.56 -1.33 0.00 0.00 177.39 177.36 3ci2 h GLN 41 N 0.00 0.17 0.15 3.23 1.08 0.12 -1.96 115.11 117.91 3ci2 h GLN 41 Ca 0.00 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 56.96 3ci2 h GLN 41 Cb 0.12 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3ci2 h GLN 41 CO 0.00 1.03 -0.07 -0.44 -0.95 0.00 0.00 178.83 178.40 3ci2 h ASP 42 N -0.58 -0.17 -2.17 1.46 3.32 -1.24 -3.38 116.42 113.65 3ci2 h ASP 42 Ca -0.05 -0.32 -0.59 0.00 0.02 0.00 0.00 57.03 56.08 3ci2 h ASP 42 Cb 1.18 0.05 -0.42 0.00 0.22 0.00 0.00 39.33 40.36 3ci2 h ASP 42 CO 0.07 0.26 -0.66 1.17 -1.72 0.00 0.00 179.24 178.36 3ci2 n LYS 43 N -4.98 2.28 -0.14 3.56 4.81 0.19 -5.00 118.16 118.88 3ci2 n LYS 43 Ca -0.09 -4.48 0.08 0.00 -0.87 0.00 0.00 58.31 52.95 3ci2 n LYS 43 Cb 0.25 -2.12 0.15 0.00 0.02 0.00 0.00 35.03 33.33 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 0.93 -0.03 -0.13 1.64 -0.02 -0.74 -1.06 135.00 135.58 3ci2 n PRO 44 Ca 0.29 0.62 0.06 0.00 -2.02 0.00 0.00 63.50 62.45 3ci2 n PRO 44 Cb 0.43 -1.01 0.19 0.00 -0.02 0.00 0.00 33.50 33.08 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 1.67 -1.87 -0.52 -0.00 -1.26 -4.80 120.64 109.53 3ci2 n GLU 45 Ca 0.11 -1.03 -0.43 0.00 -0.00 0.00 0.00 57.16 55.81 3ci2 n GLU 45 Cb 0.37 -1.26 -0.03 0.00 -0.00 0.00 0.00 31.44 30.52 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 -1.65 3.07 -1.45 -1.84 0.00 -0.22 -4.81 121.76 114.86 3ci2 s ALA 46 Ca 0.22 0.65 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 3ci2 s ALA 46 Cb 0.12 -3.95 0.05 0.00 0.00 0.00 0.00 23.12 19.33 3ci2 s ALA 46 CO 0.16 -2.30 2.29 0.94 0.00 0.00 0.00 175.76 176.86 3ci2 n GLN 47 N 8.14 3.25 -2.78 0.00 7.27 0.10 -4.90 117.38 128.46 3ci2 n GLN 47 Ca 0.23 -2.76 -0.40 0.00 0.07 0.00 0.00 57.00 54.13 3ci2 n GLN 47 Cb 0.45 -3.10 -0.05 0.00 2.41 0.00 0.00 30.24 29.95 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 2.22 4.30 0.50 1.69 1.09 -1.26 -4.76 121.20 124.99 3ci2 s ILE 48 Ca 0.50 2.01 0.01 0.00 -1.10 0.00 0.00 60.65 62.07 3ci2 s ILE 48 Cb 0.14 -4.29 -0.02 0.00 -1.06 0.00 0.00 42.46 37.23 3ci2 s ILE 48 CO -0.07 0.43 0.01 -0.63 -0.10 0.00 0.00 174.94 174.58 3ci2 s ILE 49 N -0.68 1.19 -0.23 2.92 1.09 -1.26 -5.03 121.20 119.20 3ci2 s ILE 49 Ca 0.42 -2.00 -0.12 0.00 -1.10 0.00 0.00 60.65 57.85 3ci2 s ILE 49 Cb -0.24 -2.21 -0.05 0.00 -1.06 0.00 0.00 42.46 38.90 3ci2 s ILE 49 CO 0.30 0.00 0.23 0.54 -0.10 0.00 0.00 174.94 175.91 3ci2 s VAL 50 N -2.88 5.31 -0.52 2.92 0.11 -1.26 -4.58 120.40 119.51 3ci2 s VAL 50 Ca 0.08 0.34 0.04 0.00 -2.93 0.00 0.00 61.98 59.50 3ci2 s VAL 50 Cb 0.02 -3.57 0.13 0.00 -1.53 0.00 0.00 36.38 31.44 3ci2 s VAL 50 CO 0.04 0.32 0.28 -0.76 -3.33 0.00 0.00 175.10 171.65 3ci2 s LEU 51 N 1.11 3.95 0.15 2.54 1.43 -1.15 -5.07 118.68 121.63 3ci2 s LEU 51 Ca 0.11 -3.00 -0.34 0.00 -1.03 0.00 0.00 54.13 49.87 3ci2 s LEU 51 Cb -0.14 -1.49 -0.15 0.00 0.03 0.00 0.00 46.19 44.45 3ci2 s LEU 51 CO 0.05 -0.23 1.50 -0.81 0.23 0.00 0.00 176.35 177.10 3ci2 n PRO 52 N 3.11 1.87 -1.56 1.29 -0.04 -1.26 -2.24 135.00 136.17 3ci2 n PRO 52 Ca 0.07 0.67 -0.59 0.00 -0.04 0.00 0.00 63.50 63.62 3ci2 n PRO 52 Cb 0.33 -2.40 -0.09 0.00 -0.04 0.00 0.00 33.50 31.30 3ci2 n PRO 52 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3ci2 n VAL 53 N 3.06 0.16 0.00 0.52 0.31 0.23 -0.32 118.33 122.29 3ci2 n VAL 53 Ca 0.17 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3ci2 n VAL 53 Cb 0.26 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 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 5.41 1.29 3.55 2.92 0.00 -1.26 -4.96 105.19 112.15 3ci2 n GLY 54 Ca 0.37 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.10 -0.03 -1.45 2.61 -1.04 0.56 -4.79 114.28 110.05 3ci2 n THR 55 Ca 0.00 -0.58 -0.51 0.00 -2.04 0.00 0.00 64.05 60.91 3ci2 n THR 55 Cb 0.00 -2.04 -0.07 0.00 -1.82 0.00 0.00 70.33 66.39 3ci2 n THR 55 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3ci2 n ILE 56 N 8.14 0.19 -4.64 12.58 -0.00 -1.26 -4.94 119.36 129.43 3ci2 n ILE 56 Ca 0.46 -0.23 -0.29 0.00 -0.00 0.00 0.00 62.75 62.69 3ci2 n ILE 56 Cb 0.42 -1.56 -0.08 0.00 -0.00 0.00 0.00 39.64 38.42 3ci2 n ILE 56 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 3ci2 s VAL 57 N 6.97 1.02 0.02 1.39 -7.23 -1.26 -5.17 120.40 116.14 3ci2 s VAL 57 Ca 1.09 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 59.15 3ci2 s VAL 57 Cb -0.90 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 33.66 3ci2 s VAL 57 CO 0.51 0.00 0.36 -0.89 -0.31 0.00 0.00 175.10 174.77 3ci2 s THR 58 N -3.01 5.14 -1.09 5.32 2.01 -1.26 -5.00 115.64 117.75 3ci2 s THR 58 Ca 0.16 0.52 -0.04 0.00 0.31 0.00 0.00 61.69 62.64 3ci2 s THR 58 Cb 0.03 -3.63 0.17 0.00 0.01 0.00 0.00 72.50 69.08 3ci2 s THR 58 CO 0.09 0.43 2.29 0.80 -0.69 0.00 0.00 174.62 177.53 3ci2 n MET 59 N 1.34 4.37 -0.02 4.92 1.56 -1.26 -4.92 117.12 123.11 3ci2 n MET 59 Ca -0.12 -3.59 0.00 0.00 -0.27 0.00 0.00 57.70 53.72 3ci2 n MET 59 Cb 0.53 -2.50 0.00 0.00 2.15 0.00 0.00 33.22 33.40 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 1.02 0.13 -3.19 2.12 0.28 -1.26 -5.07 120.64 114.67 3ci2 n GLU 60 Ca 0.56 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 57.36 3ci2 n GLU 60 Cb 0.29 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.12 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 -1.78 -0.04 -2.65 -1.84 9.36 -1.26 -4.45 117.16 114.50 3ci2 n TYR 61 Ca 0.00 -3.72 -0.43 0.00 3.32 0.00 0.00 57.90 57.07 3ci2 n TYR 61 Cb 0.00 -0.38 0.00 0.00 -0.63 0.00 0.00 39.34 38.34 3ci2 n TYR 61 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3ci2 n ARG 62 N 0.66 3.55 0.33 2.98 3.00 -1.26 -4.78 116.66 121.13 3ci2 n ARG 62 Ca 0.23 -3.74 0.04 0.00 -0.01 0.00 0.00 57.85 54.38 3ci2 n ARG 62 Cb 0.62 -2.95 0.19 0.00 0.00 0.00 0.00 32.46 30.32 3ci2 n ARG 62 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.63 178.60 3ci2 h ILE 63 N 4.11 0.00 0.00 0.55 2.10 -1.93 0.98 117.51 123.32 3ci2 h ILE 63 Ca 0.35 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.29 3ci2 h ILE 63 Cb 0.74 0.15 0.00 0.00 -1.09 0.00 0.00 36.82 36.62 3ci2 h ILE 63 CO 1.43 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 177.60 3ci2 n ASP 64 N -2.60 0.00 -3.76 2.19 5.75 -1.26 -4.67 116.55 112.20 3ci2 n ASP 64 Ca -0.00 -0.18 -0.12 0.00 -0.01 0.00 0.00 54.79 54.48 3ci2 n ASP 64 Cb 0.86 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.88 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 -2.00 0.80 -0.07 0.11 3.52 0.34 0.01 118.95 121.66 3ci2 s ARG 65 Ca 0.03 -0.50 0.03 0.00 -0.13 0.00 0.00 55.73 55.17 3ci2 s ARG 65 Cb 0.02 0.35 -0.02 0.00 -1.56 0.00 0.00 34.95 33.74 3ci2 s ARG 65 CO 0.03 -0.26 -0.17 0.08 -0.81 0.00 0.00 175.30 174.17 3ci2 s VAL 66 N -2.51 2.74 -0.19 7.11 1.01 -1.26 -0.81 120.40 126.49 3ci2 s VAL 66 Ca -0.05 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 3ci2 s VAL 66 Cb -0.01 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 3ci2 s VAL 66 CO -0.03 0.57 0.39 -0.60 0.00 0.00 0.00 175.10 175.42 3ci2 s ARG 67 N -0.25 4.19 -0.89 2.72 3.52 0.14 -4.67 118.95 123.72 3ci2 s ARG 67 Ca 0.00 0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.79 3ci2 s ARG 67 Cb -0.13 -3.52 0.24 0.00 -1.56 0.00 0.00 34.95 29.98 3ci2 s ARG 67 CO 0.03 0.01 0.89 1.28 -0.81 0.00 0.00 175.30 176.70 3ci2 n LEU 68 N 4.30 4.48 -4.56 -0.88 4.32 -1.26 -2.99 117.00 120.41 3ci2 n LEU 68 Ca -0.09 -5.20 -0.41 0.00 -0.02 0.00 0.00 56.01 50.30 3ci2 n LEU 68 Cb 0.51 -1.05 -0.03 0.00 -1.62 0.00 0.00 43.42 41.23 3ci2 n LEU 68 CO 0.40 1.67 1.35 -0.36 -1.22 0.00 0.00 177.39 179.23 3ci2 s PHE 69 N -1.80 2.08 0.59 -1.77 0.08 -1.24 -2.94 117.98 112.97 3ci2 s PHE 69 Ca 0.30 0.44 0.10 0.00 0.12 0.00 0.00 56.93 57.89 3ci2 s PHE 69 Cb -0.01 -4.35 0.09 0.00 -0.57 0.00 0.00 43.02 38.18 3ci2 s PHE 69 CO -0.07 -2.14 0.79 0.14 -0.10 0.00 0.00 175.22 173.84 3ci2 s VAL 70 N 6.91 1.99 0.00 -0.44 -7.23 -0.95 -3.04 120.40 117.64 3ci2 s VAL 70 Ca 0.53 -1.04 0.00 0.00 -1.81 0.00 0.00 61.98 59.67 3ci2 s VAL 70 Cb -0.11 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.80 3ci2 s VAL 70 CO 0.21 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.10 3ci2 n ASP 71 N -2.26 0.00 -0.11 4.85 5.75 0.20 0.78 116.55 125.75 3ci2 n ASP 71 Ca 0.15 0.00 0.14 0.00 -0.01 0.00 0.00 54.79 55.07 3ci2 n ASP 71 Cb 0.62 0.00 0.60 0.00 -1.03 0.00 0.00 41.12 41.32 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 0.66 -2.66 0.11 4.01 -1.26 -3.63 118.16 115.39 3ci2 n LYS 72 Ca 0.00 -0.22 -0.09 0.00 -0.51 0.00 0.00 58.31 57.48 3ci2 n LYS 72 Cb 0.00 -1.50 0.03 0.00 -0.51 0.00 0.00 35.03 33.05 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 -0.97 1.79 -3.20 -0.35 -0.00 -1.26 -4.99 117.00 108.01 3ci2 n LEU 73 Ca 0.14 -3.76 -0.22 0.00 -0.00 0.00 0.00 56.01 52.17 3ci2 n LEU 73 Cb 0.28 0.35 -0.04 0.00 -0.00 0.00 0.00 43.42 44.01 3ci2 n LEU 73 CO 0.24 1.55 -0.08 -0.90 -0.00 0.00 0.00 177.39 178.20 3ci2 n ASP 74 N -0.18 -1.15 -4.72 1.45 5.75 -1.24 -4.92 116.55 111.54 3ci2 n ASP 74 Ca 0.12 -0.53 -0.31 0.00 -0.01 0.00 0.00 54.79 54.05 3ci2 n ASP 74 Cb 0.81 -1.04 -0.08 0.00 -1.03 0.00 0.00 41.12 39.78 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 -2.29 5.29 -0.74 -1.12 0.02 -1.26 -2.69 114.94 112.16 3ci2 s ASN 75 Ca 0.43 -0.03 -0.26 0.00 -1.02 0.00 0.00 52.86 51.98 3ci2 s ASN 75 Cb -0.25 -1.39 -0.01 0.00 0.02 0.00 0.00 41.25 39.62 3ci2 s ASN 75 CO 0.53 0.22 1.72 -0.63 0.02 0.00 0.00 177.10 178.95 3ci2 s ILE 76 N -1.25 3.50 -0.04 0.60 1.01 0.20 0.58 121.20 125.81 3ci2 s ILE 76 Ca 0.24 0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.69 3ci2 s ILE 76 Cb -0.12 -4.27 -0.21 0.00 0.01 0.00 0.00 42.46 37.87 3ci2 s ILE 76 CO 0.16 -1.22 1.13 0.00 0.00 0.00 0.00 174.94 175.02 3ci2 h ALA 77 N 12.69 0.04 -2.90 9.38 0.00 -1.86 -3.10 119.26 133.51 3ci2 h ALA 77 Ca -0.15 -0.36 -0.64 0.00 0.00 0.00 0.00 54.91 53.76 3ci2 h ALA 77 Cb 1.09 -0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.71 3ci2 h ALA 77 CO 1.25 -0.07 -0.79 -1.14 0.00 0.00 0.00 179.25 178.50 3ci2 s GLN 78 N -3.62 1.65 0.36 0.00 0.74 -1.17 -5.04 119.66 112.58 3ci2 s GLN 78 Ca -0.16 -1.55 -0.27 0.00 0.05 0.00 0.00 55.36 53.43 3ci2 s GLN 78 Cb 0.01 -1.87 -0.09 0.00 1.10 0.00 0.00 33.01 32.16 3ci2 s GLN 78 CO 0.71 0.39 1.13 0.08 -0.55 0.00 0.00 175.29 177.04 3ci2 s VAL 79 N -1.90 3.35 0.56 1.34 1.01 -1.26 -4.82 120.40 118.67 3ci2 s VAL 79 Ca 0.24 1.19 -0.10 0.00 0.00 0.00 0.00 61.98 63.31 3ci2 s VAL 79 Cb -0.07 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 3ci2 s VAL 79 CO 0.12 0.16 0.95 -2.84 0.00 0.00 0.00 175.10 173.50 3ci2 s PRO 80 N -2.03 3.64 0.25 2.72 0.02 -1.26 -4.89 135.00 133.45 3ci2 s PRO 80 Ca 0.53 0.63 -0.22 0.00 0.02 0.00 0.00 61.00 61.96 3ci2 s PRO 80 Cb -0.30 -2.18 0.04 0.00 0.02 0.00 0.00 34.50 32.09 3ci2 s PRO 80 CO 0.38 -0.42 0.82 -0.98 -0.33 0.00 0.00 177.00 176.48 3ci2 s ARG 81 N -4.87 1.64 0.25 5.54 1.70 -1.16 -0.45 118.95 121.60 3ci2 s ARG 81 Ca 0.53 -0.94 -0.30 0.00 -0.47 0.00 0.00 55.73 54.55 3ci2 s ARG 81 Cb -0.11 0.53 -0.09 0.00 -0.57 0.00 0.00 34.95 34.72 3ci2 s ARG 81 CO 0.48 -0.76 0.95 0.08 -1.08 0.00 0.00 175.30 174.98 3ci2 s VAL 82 N -3.38 4.03 0.00 4.99 1.01 0.12 0.25 120.40 127.42 3ci2 s VAL 82 Ca 0.13 2.02 0.00 0.00 0.00 0.00 0.00 61.98 64.13 3ci2 s VAL 82 Cb -0.04 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.06 3ci2 s VAL 82 CO 0.06 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.24