#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 3.31 0.00 1.96 2.20 -1.25 -4.97 119.74 120.98 3ci2 s LYS 21 Ca 0.00 -0.40 0.15 0.00 -0.36 0.00 0.00 55.97 55.36 3ci2 s LYS 21 Cb 0.00 -2.91 -0.05 0.00 -1.51 0.00 0.00 37.83 33.36 3ci2 s LYS 21 CO 0.00 0.55 0.76 0.25 -0.36 0.00 0.00 175.35 176.55 3ci2 n THR 22 N 2.61 0.00 -4.50 3.43 -2.24 -1.26 -4.31 114.28 108.01 3ci2 n THR 22 Ca -0.18 -0.29 -0.22 0.00 -2.27 0.00 0.00 64.05 61.10 3ci2 n THR 22 Cb 0.53 1.13 -0.16 0.00 -2.10 0.00 0.00 70.33 69.73 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 -1.99 1.15 -0.57 -0.78 1.03 -1.26 -0.99 118.70 115.29 3ci2 s GLU 23 Ca 0.10 -0.38 0.06 0.00 0.03 0.00 0.00 54.97 54.79 3ci2 s GLU 23 Cb 0.12 -1.05 0.24 0.00 -0.80 0.00 0.00 34.13 32.63 3ci2 s GLU 23 CO 0.45 0.15 0.64 0.91 -1.33 0.00 0.00 175.26 176.08 3ci2 n TRP 24 N 3.22 2.29 -0.01 4.83 8.01 -0.60 -4.89 117.44 130.30 3ci2 n TRP 24 Ca -0.18 -3.97 -0.05 0.00 -1.31 0.00 0.00 57.50 51.99 3ci2 n TRP 24 Cb 0.54 -0.47 0.15 0.00 -2.01 0.00 0.00 31.31 29.53 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 4.33 0.55 -0.85 -0.99 0.13 -1.85 -3.29 132.00 130.04 3ci2 h PRO 25 Ca 0.16 -0.23 0.06 0.00 -0.87 0.00 0.00 66.00 65.12 3ci2 h PRO 25 Cb 0.74 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.80 3ci2 h PRO 25 CO 0.70 0.79 0.55 0.93 -0.23 0.00 0.00 178.00 180.74 3ci2 h GLU 26 N 0.47 0.92 0.00 0.86 3.07 -1.94 -1.12 114.58 116.85 3ci2 h GLU 26 Ca 0.06 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3ci2 h GLU 26 Cb 0.75 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3ci2 h GLU 26 CO 0.06 0.61 0.00 1.37 -1.40 0.00 0.00 179.01 179.65 3ci2 h LEU 27 N 0.95 0.00 -9.59 1.33 8.10 -1.96 -3.46 115.31 110.68 3ci2 h LEU 27 Ca 0.36 0.00 -0.54 0.00 0.11 0.00 0.00 57.88 57.81 3ci2 h LEU 27 Cb 0.20 0.00 0.21 0.00 -0.44 0.00 0.00 40.66 40.63 3ci2 h LEU 27 CO -0.13 0.00 -0.77 0.52 -4.11 0.00 0.00 178.44 173.95 3ci2 n VAL 28 N -2.47 0.48 0.00 0.15 0.31 -0.43 -2.76 118.33 113.62 3ci2 n VAL 28 Ca 0.05 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 3ci2 n VAL 28 Cb 0.43 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 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 1.92 2.69 3.67 2.92 0.00 0.77 -4.90 105.19 112.26 3ci2 n GLY 29 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.19 2.11 0.49 1.61 3.01 -1.11 -4.70 119.74 120.95 3ci2 s LYS 30 Ca 0.00 -1.86 -0.06 0.00 -1.01 0.00 0.00 55.97 53.04 3ci2 s LYS 30 Cb 0.00 -1.89 -0.04 0.00 -1.01 0.00 0.00 37.83 34.89 3ci2 s LYS 30 CO 0.00 0.00 0.81 -1.54 0.51 0.00 0.00 175.35 175.13 3ci2 s SER 31 N -3.79 6.28 0.62 2.83 1.04 -1.26 0.58 113.70 120.01 3ci2 s SER 31 Ca 0.37 0.99 0.23 0.00 0.48 0.00 0.00 55.95 58.02 3ci2 s SER 31 Cb 0.04 -2.27 1.02 0.00 0.10 0.00 0.00 66.02 64.90 3ci2 s SER 31 CO 0.20 -0.59 1.51 1.62 0.98 0.00 0.00 173.24 176.95 3ci2 h VAL 32 N 0.23 0.10 0.57 5.02 3.04 -1.79 -1.67 116.25 121.76 3ci2 h VAL 32 Ca -0.47 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.20 3ci2 h VAL 32 Cb 1.20 0.27 0.01 0.00 -2.01 0.00 0.00 31.29 30.76 3ci2 h VAL 32 CO 0.62 0.00 -0.27 1.05 -1.01 0.00 0.00 177.57 177.96 3ci2 h GLU 33 N 0.00 -0.73 -0.11 4.17 4.11 -1.93 0.14 114.58 120.22 3ci2 h GLU 33 Ca 0.25 0.05 0.03 0.00 0.07 0.00 0.00 59.36 59.76 3ci2 h GLU 33 Cb 1.94 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 31.33 3ci2 h GLU 33 CO -0.00 -0.44 -0.06 1.49 0.07 0.00 0.00 179.01 180.07 3ci2 h GLU 34 N -1.12 -0.05 -0.55 1.06 4.81 -1.73 0.48 114.58 117.49 3ci2 h GLU 34 Ca -0.08 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.26 3ci2 h GLU 34 Cb 0.63 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.91 3ci2 h GLU 34 CO 0.13 -0.03 -0.22 0.00 -0.73 0.00 0.00 179.01 178.16 3ci2 h ALA 35 N 1.06 0.20 0.18 2.92 0.00 -1.29 0.34 119.26 122.67 3ci2 h ALA 35 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3ci2 h ALA 35 Cb 0.15 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3ci2 h ALA 35 CO -0.15 -0.53 -0.15 0.87 0.00 0.00 0.00 179.25 179.29 3ci2 h LYS 36 N -0.08 -0.34 -0.96 0.00 1.57 0.20 0.79 116.57 117.75 3ci2 h LYS 36 Ca 0.25 0.02 0.23 0.00 -1.87 0.00 0.00 60.65 59.29 3ci2 h LYS 36 Cb 0.48 0.08 -0.12 0.00 0.08 0.00 0.00 32.23 32.74 3ci2 h LYS 36 CO -0.61 -0.23 0.51 -0.22 -0.57 0.00 0.00 179.45 178.34 3ci2 h LYS 37 N -0.35 0.51 0.55 3.15 3.11 0.76 0.15 116.57 124.44 3ci2 h LYS 37 Ca -0.00 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.78 3ci2 h LYS 37 Cb 0.32 -0.11 0.01 0.00 -1.00 0.00 0.00 32.23 31.44 3ci2 h LYS 37 CO -0.02 0.34 -0.26 0.28 -2.81 0.00 0.00 179.45 176.97 3ci2 h VAL 38 N 0.52 0.00 0.10 2.00 2.07 0.36 -2.17 116.25 119.14 3ci2 h VAL 38 Ca 0.60 -0.45 0.02 0.00 0.82 0.00 0.00 66.70 67.69 3ci2 h VAL 38 Cb 1.13 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3ci2 h VAL 38 CO -0.49 0.00 -0.22 0.40 0.02 0.00 0.00 177.57 177.29 3ci2 h ILE 39 N -1.18 0.51 -0.12 4.57 2.04 -0.02 0.94 117.51 124.26 3ci2 h ILE 39 Ca -0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.82 3ci2 h ILE 39 Cb 0.56 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3ci2 h ILE 39 CO 0.12 0.00 0.18 -0.07 0.00 0.00 0.00 178.15 178.38 3ci2 h LEU 40 N -0.40 0.00 -0.99 1.44 4.07 -0.88 0.28 115.31 118.82 3ci2 h LEU 40 Ca 0.03 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.90 3ci2 h LEU 40 Cb 0.43 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 3ci2 h LEU 40 CO -0.13 0.00 -0.30 -0.61 -1.08 0.00 0.00 178.44 176.32 3ci2 h GLN 41 N 0.00 0.36 0.00 1.13 5.75 0.16 -3.16 115.11 119.36 3ci2 h GLN 41 Ca 0.05 -0.14 -0.30 0.00 -0.15 0.00 0.00 58.65 58.11 3ci2 h GLN 41 Cb 0.41 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.90 3ci2 h GLN 41 CO -0.00 0.63 -1.64 -0.25 -2.65 0.00 0.00 178.83 174.92 3ci2 n ASP 42 N -4.10 1.90 -3.88 -0.69 8.00 0.43 -4.73 116.55 113.47 3ci2 n ASP 42 Ca -0.01 0.39 -0.28 0.00 0.71 0.00 0.00 54.79 55.60 3ci2 n ASP 42 Cb 0.42 -0.92 -0.12 0.00 -0.02 0.00 0.00 41.12 40.48 3ci2 n ASP 42 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3ci2 s LYS 43 N -2.41 2.40 0.40 -1.24 2.20 0.68 -3.91 119.74 117.85 3ci2 s LYS 43 Ca -0.31 -3.29 0.34 0.00 -0.36 0.00 0.00 55.97 52.35 3ci2 s LYS 43 Cb 0.08 -3.35 1.27 0.00 -1.51 0.00 0.00 37.83 34.32 3ci2 s LYS 43 CO 0.57 -1.29 1.19 -2.30 -0.36 0.00 0.00 175.35 173.17 3ci2 n PRO 44 N 2.03 -0.01 0.00 4.03 -0.02 -1.19 0.06 135.00 139.90 3ci2 n PRO 44 Ca 0.20 0.87 0.14 0.00 -2.02 0.00 0.00 63.50 62.69 3ci2 n PRO 44 Cb 0.35 -1.91 0.57 0.00 -0.02 0.00 0.00 33.50 32.50 3ci2 n PRO 44 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3ci2 n GLU 45 N -3.72 1.54 -1.67 -0.52 4.71 -1.26 -4.85 120.64 114.87 3ci2 n GLU 45 Ca 0.33 -0.82 -0.35 0.00 -0.01 0.00 0.00 57.16 56.31 3ci2 n GLU 45 Cb 1.44 -1.48 -0.03 0.00 -1.01 0.00 0.00 31.44 30.35 3ci2 n GLU 45 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ci2 s ALA 46 N -2.02 1.69 -0.37 0.62 0.00 0.11 -4.79 121.76 117.00 3ci2 s ALA 46 Ca 0.39 -0.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.96 3ci2 s ALA 46 Cb 0.21 -4.35 0.00 0.00 0.00 0.00 0.00 23.12 18.98 3ci2 s ALA 46 CO 0.35 -4.43 0.54 -1.14 0.00 0.00 0.00 175.76 171.08 3ci2 s GLN 47 N 8.02 3.53 0.18 0.00 -0.44 0.36 -4.60 119.66 126.70 3ci2 s GLN 47 Ca 0.90 -0.22 0.05 0.00 -2.50 0.00 0.00 55.36 53.60 3ci2 s GLN 47 Cb -0.16 -3.84 -0.04 0.00 -1.64 0.00 0.00 33.01 27.33 3ci2 s GLN 47 CO 0.23 -0.73 0.15 0.42 0.50 0.00 0.00 175.29 175.87 3ci2 s ILE 48 N 2.48 4.51 0.35 -2.34 1.01 -1.26 -3.42 121.20 122.54 3ci2 s ILE 48 Ca 0.19 -1.12 0.05 0.00 0.00 0.00 0.00 60.65 59.77 3ci2 s ILE 48 Cb -0.15 -3.33 -0.07 0.00 0.01 0.00 0.00 42.46 38.92 3ci2 s ILE 48 CO 0.14 -0.15 0.04 -0.63 0.00 0.00 0.00 174.94 174.34 3ci2 s ILE 49 N -1.82 1.49 -0.04 2.92 -1.09 -1.26 -5.07 121.20 116.33 3ci2 s ILE 49 Ca 0.31 -2.01 -0.00 0.00 -2.23 0.00 0.00 60.65 56.73 3ci2 s ILE 49 Cb -0.10 -2.85 -0.03 0.00 -1.58 0.00 0.00 42.46 37.90 3ci2 s ILE 49 CO 0.24 -0.01 0.00 0.54 -1.23 0.00 0.00 174.94 174.48 3ci2 s VAL 50 N -3.08 4.26 -0.04 2.92 0.11 -1.26 -4.76 120.40 118.55 3ci2 s VAL 50 Ca 0.36 -0.42 -0.01 0.00 -2.93 0.00 0.00 61.98 58.97 3ci2 s VAL 50 Cb 0.09 -2.85 0.03 0.00 -1.53 0.00 0.00 36.38 32.12 3ci2 s VAL 50 CO 0.16 0.49 0.05 -0.22 -3.33 0.00 0.00 175.10 172.25 3ci2 s LEU 51 N -1.24 0.39 0.06 2.54 0.20 -1.26 -5.04 118.68 114.34 3ci2 s LEU 51 Ca 0.17 0.05 -0.31 0.00 0.69 0.00 0.00 54.13 54.73 3ci2 s LEU 51 Cb -0.11 -0.16 -0.06 0.00 -0.43 0.00 0.00 46.19 45.43 3ci2 s LEU 51 CO 0.07 -0.22 1.26 -2.16 -0.29 0.00 0.00 176.35 175.01 3ci2 s PRO 52 N 1.90 4.38 0.10 0.98 0.04 -1.26 -0.88 135.00 140.26 3ci2 s PRO 52 Ca 0.02 1.86 -0.35 0.00 0.04 0.00 0.00 61.00 62.56 3ci2 s PRO 52 Cb -0.12 -3.36 -0.18 0.00 0.04 0.00 0.00 34.50 30.87 3ci2 s PRO 52 CO -0.03 -0.35 0.94 0.28 0.04 0.00 0.00 177.00 177.88 3ci2 n VAL 53 N 4.06 0.77 0.00 -0.36 0.31 0.21 -2.63 118.33 120.70 3ci2 n VAL 53 Ca 0.10 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3ci2 n VAL 53 Cb 0.45 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 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 2.54 3.28 2.92 0.00 -1.26 -5.04 105.19 109.43 3ci2 n GLY 54 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3ci2 n GLY 54 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ci2 s THR 55 N -2.53 1.19 0.39 2.61 2.01 -1.08 -5.02 115.64 113.21 3ci2 s THR 55 Ca 0.00 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 3ci2 s THR 55 Cb 0.00 -2.03 -0.07 0.00 0.01 0.00 0.00 72.50 70.41 3ci2 s THR 55 CO 0.00 0.00 0.75 -0.63 -0.69 0.00 0.00 174.62 174.05 3ci2 s ILE 56 N -2.21 4.79 0.29 1.82 1.01 -1.26 -5.02 121.20 120.61 3ci2 s ILE 56 Ca 0.68 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.96 3ci2 s ILE 56 Cb -0.14 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.61 3ci2 s ILE 56 CO 0.58 -0.47 0.00 0.52 0.00 0.00 0.00 174.94 175.57 3ci2 n VAL 57 N -1.17 0.00 -2.43 2.92 0.31 -1.26 -5.03 118.33 111.67 3ci2 n VAL 57 Ca 0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.92 3ci2 n VAL 57 Cb 0.54 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 3ci2 n VAL 57 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3ci2 n THR 58 N -3.44 3.87 -0.35 2.52 -1.04 -1.26 -4.76 114.28 109.81 3ci2 n THR 58 Ca 0.00 -3.92 0.00 0.00 -2.04 0.00 0.00 64.05 58.09 3ci2 n THR 58 Cb 0.00 -2.40 0.00 0.00 -1.82 0.00 0.00 70.33 66.11 3ci2 n THR 58 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 3ci2 n MET 59 N 7.92 3.44 0.00 -2.82 2.81 -1.26 -5.12 117.12 122.09 3ci2 n MET 59 Ca 0.49 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.38 3ci2 n MET 59 Cb 0.45 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.96 3ci2 n MET 59 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 3ci2 n GLU 60 N 0.00 2.79 -3.51 0.03 0.00 -1.26 -4.93 120.64 113.76 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 -0.10 0.00 0.00 0.00 0.00 31.44 31.34 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 0.00 3.23 -0.56 -1.84 5.04 -1.26 -4.93 117.35 117.03 3ci2 s TYR 61 Ca 0.00 -0.37 0.01 0.00 -2.44 0.00 0.00 57.07 54.27 3ci2 s TYR 61 Cb 0.00 -2.51 0.46 0.00 0.35 0.00 0.00 41.96 40.26 3ci2 s TYR 61 CO 0.00 -0.45 1.80 0.54 -1.34 0.00 0.00 175.55 176.11 3ci2 n ARG 62 N 5.12 2.92 0.19 4.97 3.00 -0.58 -4.69 116.66 127.59 3ci2 n ARG 62 Ca -0.12 -3.52 0.17 0.00 -0.01 0.00 0.00 57.85 54.37 3ci2 n ARG 62 Cb 0.49 -2.28 0.82 0.00 0.00 0.00 0.00 32.46 31.49 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 1.32 0.46 0.00 0.55 6.09 -1.92 0.35 117.51 124.36 3ci2 h ILE 63 Ca 0.54 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.03 3ci2 h ILE 63 Cb 1.06 0.82 0.00 0.00 0.47 0.00 0.00 36.82 39.17 3ci2 h ILE 63 CO 1.35 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 175.53 3ci2 n ASP 64 N -3.80 0.16 -4.22 2.19 5.75 -1.26 -4.59 116.55 110.78 3ci2 n ASP 64 Ca 0.02 0.54 -0.13 0.00 -0.01 0.00 0.00 54.79 55.21 3ci2 n ASP 64 Cb 0.35 -0.57 -0.10 0.00 -1.03 0.00 0.00 41.12 39.77 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 -3.07 1.04 -0.13 0.11 3.52 0.12 0.13 118.95 120.67 3ci2 s ARG 65 Ca 0.07 -1.48 0.02 0.00 -0.13 0.00 0.00 55.73 54.20 3ci2 s ARG 65 Cb 0.10 -0.26 -0.00 0.00 -1.56 0.00 0.00 34.95 33.23 3ci2 s ARG 65 CO 0.31 -0.10 -0.18 0.08 -0.81 0.00 0.00 175.30 174.60 3ci2 s VAL 66 N -3.64 2.55 -0.39 7.11 1.01 -1.26 -1.60 120.40 124.18 3ci2 s VAL 66 Ca 0.21 -0.83 -0.13 0.00 0.00 0.00 0.00 61.98 61.23 3ci2 s VAL 66 Cb 0.06 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.42 3ci2 s VAL 66 CO 0.02 0.54 0.25 -0.60 0.00 0.00 0.00 175.10 175.30 3ci2 s ARG 67 N 0.50 2.89 -0.41 2.72 6.06 -0.87 -4.66 118.95 125.17 3ci2 s ARG 67 Ca -0.12 -1.05 -0.08 0.00 -2.50 0.00 0.00 55.73 51.97 3ci2 s ARG 67 Cb -0.16 -3.84 0.08 0.00 0.06 0.00 0.00 34.95 31.08 3ci2 s ARG 67 CO 0.05 -0.72 0.24 -0.51 -2.50 0.00 0.00 175.30 171.86 3ci2 s LEU 68 N 1.61 5.10 -0.04 -0.88 1.43 -1.26 -4.31 118.68 120.32 3ci2 s LEU 68 Ca 0.03 -1.53 -0.30 0.00 -1.03 0.00 0.00 54.13 51.31 3ci2 s LEU 68 Cb -0.19 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 3ci2 s LEU 68 CO 0.08 -0.52 1.51 -0.36 0.23 0.00 0.00 176.35 177.29 3ci2 s PHE 69 N 1.40 2.44 0.44 0.29 0.08 -1.25 -4.15 117.98 117.23 3ci2 s PHE 69 Ca 0.03 0.53 0.08 0.00 0.12 0.00 0.00 56.93 57.69 3ci2 s PHE 69 Cb -0.23 -3.78 0.01 0.00 -0.57 0.00 0.00 43.02 38.45 3ci2 s PHE 69 CO 0.02 -3.07 0.52 0.14 -0.10 0.00 0.00 175.22 172.73 3ci2 s VAL 70 N 3.27 2.78 0.00 -0.44 -7.23 -0.06 -0.78 120.40 117.94 3ci2 s VAL 70 Ca 0.67 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.72 3ci2 s VAL 70 Cb -0.32 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 33.72 3ci2 s VAL 70 CO 0.27 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.16 3ci2 n ASP 71 N -1.79 0.00 -0.62 4.85 5.75 0.47 0.65 116.55 125.87 3ci2 n ASP 71 Ca 0.07 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 54.97 3ci2 n ASP 71 Cb 0.60 0.00 0.38 0.00 -1.03 0.00 0.00 41.12 41.08 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 1.82 -1.91 0.11 4.01 -1.26 -3.79 118.16 117.14 3ci2 n LYS 72 Ca 0.00 -1.22 0.00 0.00 -0.51 0.00 0.00 58.31 56.58 3ci2 n LYS 72 Cb 0.00 -1.43 0.05 0.00 -0.51 0.00 0.00 35.03 33.14 3ci2 n LYS 72 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3ci2 n LEU 73 N 0.46 1.77 -1.48 -0.35 4.77 -1.26 -4.99 117.00 115.91 3ci2 n LEU 73 Ca 0.17 -2.84 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 3ci2 n LEU 73 Cb 0.38 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3ci2 n LEU 73 CO 0.14 0.94 0.00 -0.90 -1.33 0.00 0.00 177.39 176.25 3ci2 n ASP 74 N -0.19 -0.39 -4.78 -1.43 5.68 -1.25 -4.85 116.55 109.34 3ci2 n ASP 74 Ca 0.11 0.20 -0.36 0.00 -0.50 0.00 0.00 54.79 54.24 3ci2 n ASP 74 Cb 0.96 -0.63 -0.08 0.00 -1.14 0.00 0.00 41.12 40.23 3ci2 n ASP 74 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 3ci2 s ASN 75 N -1.26 5.88 -0.12 -1.12 0.01 -1.26 -2.06 114.94 115.01 3ci2 s ASN 75 Ca 0.00 0.31 -0.29 0.00 -0.71 0.00 0.00 52.86 52.17 3ci2 s ASN 75 Cb 0.00 -1.83 -0.05 0.00 0.41 0.00 0.00 41.25 39.78 3ci2 s ASN 75 CO 0.00 0.38 1.86 -0.63 -1.51 0.00 0.00 177.10 177.20 3ci2 s ILE 76 N -0.84 3.32 -0.23 0.60 1.01 0.20 -0.39 121.20 124.87 3ci2 s ILE 76 Ca 0.13 0.37 0.01 0.00 0.00 0.00 0.00 60.65 61.17 3ci2 s ILE 76 Cb -0.12 -3.31 -0.19 0.00 0.01 0.00 0.00 42.46 38.85 3ci2 s ILE 76 CO 0.03 -0.11 -0.08 0.00 0.00 0.00 0.00 174.94 174.77 3ci2 n ALA 77 N 8.75 1.34 -3.17 9.38 0.00 -0.53 -0.16 120.51 136.11 3ci2 n ALA 77 Ca 0.21 -1.02 -0.33 0.00 0.00 0.00 0.00 53.44 52.31 3ci2 n ALA 77 Cb 0.44 -0.23 -0.15 0.00 0.00 0.00 0.00 19.45 19.51 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 -2.53 3.27 0.11 0.00 -0.21 0.04 -4.92 119.66 115.43 3ci2 s GLN 78 Ca -0.31 -0.74 -0.27 0.00 0.02 0.00 0.00 55.36 54.06 3ci2 s GLN 78 Cb 0.08 -2.55 -0.08 0.00 1.00 0.00 0.00 33.01 31.46 3ci2 s GLN 78 CO 0.65 0.17 1.45 0.28 -2.12 0.00 0.00 175.29 175.72 3ci2 h VAL 79 N 5.52 0.00 0.00 1.09 2.07 -1.87 -3.32 116.25 119.73 3ci2 h VAL 79 Ca -0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3ci2 h VAL 79 Cb 1.22 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3ci2 h VAL 79 CO 0.54 0.00 0.00 -2.65 0.02 0.00 0.00 177.57 175.48 3ci2 n PRO 80 N -4.88 0.00 -4.13 1.57 -0.02 -1.26 -3.77 135.00 122.51 3ci2 n PRO 80 Ca -0.02 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.32 3ci2 n PRO 80 Cb 0.27 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.68 3ci2 n PRO 80 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3ci2 s ARG 81 N 0.00 1.67 0.27 -0.52 1.70 -1.26 -1.55 118.95 119.26 3ci2 s ARG 81 Ca 0.00 -1.68 -0.29 0.00 -0.47 0.00 0.00 55.73 53.29 3ci2 s ARG 81 Cb 0.00 0.39 -0.10 0.00 -0.57 0.00 0.00 34.95 34.68 3ci2 s ARG 81 CO 0.00 -0.66 1.31 0.08 -1.08 0.00 0.00 175.30 174.95 3ci2 s VAL 82 N -3.53 2.94 0.00 4.99 1.01 -0.16 -2.05 120.40 123.59 3ci2 s VAL 82 Ca 0.32 0.86 0.00 0.00 0.00 0.00 0.00 61.98 63.16 3ci2 s VAL 82 Cb 0.02 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.85 3ci2 s VAL 82 CO 0.18 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.05