#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 2.59 -0.09 1.96 3.00 -1.26 -4.78 118.16 119.58 3ci2 n LYS 21 Ca 0.00 -4.58 0.03 0.00 -0.00 0.00 0.00 58.31 53.76 3ci2 n LYS 21 Cb 0.00 -2.15 0.08 0.00 0.00 0.00 0.00 35.03 32.96 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 0.47 0.93 -4.00 3.15 -2.24 -1.26 -4.76 114.28 106.57 3ci2 n THR 22 Ca 0.29 -0.96 -0.10 0.00 -2.27 0.00 0.00 64.05 61.02 3ci2 n THR 22 Cb 0.42 0.55 -0.11 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.96 0.36 -0.52 -0.78 1.03 -1.26 -0.20 118.70 116.35 3ci2 s GLU 23 Ca 0.12 -0.66 0.07 0.00 0.03 0.00 0.00 54.97 54.54 3ci2 s GLU 23 Cb 0.07 0.05 0.29 0.00 -0.80 0.00 0.00 34.13 33.74 3ci2 s GLU 23 CO 0.09 -0.04 0.75 0.91 -1.33 0.00 0.00 175.26 175.63 3ci2 n TRP 24 N 1.52 2.28 0.08 4.83 8.01 -0.09 -4.88 117.44 129.18 3ci2 n TRP 24 Ca -0.23 -3.93 -0.02 0.00 -1.31 0.00 0.00 57.50 52.01 3ci2 n TRP 24 Cb 0.55 -0.47 0.25 0.00 -2.01 0.00 0.00 31.31 29.63 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 3.63 0.30 0.00 -0.99 0.13 -1.95 -1.33 132.00 131.79 3ci2 h PRO 25 Ca 0.14 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3ci2 h PRO 25 Cb 0.72 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3ci2 h PRO 25 CO 0.69 0.60 0.00 -0.85 -0.23 0.00 0.00 178.00 178.21 3ci2 n GLU 26 N -4.09 0.28 -0.00 0.86 0.00 -1.26 -0.90 120.64 115.52 3ci2 n GLU 26 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.26 3ci2 n GLU 26 Cb 0.42 -1.48 -0.14 0.00 0.00 0.00 0.00 31.44 30.25 3ci2 n GLU 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3ci2 n LEU 27 N -0.98 0.28 -4.64 -1.84 4.77 -0.50 -4.88 117.00 109.21 3ci2 n LEU 27 Ca 0.06 -0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.53 3ci2 n LEU 27 Cb 0.03 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3ci2 n LEU 27 CO 0.05 0.04 1.59 -0.69 -1.33 0.00 0.00 177.39 177.05 3ci2 s VAL 28 N -3.39 3.23 0.00 4.08 1.01 -0.08 -0.22 120.40 125.04 3ci2 s VAL 28 Ca -0.04 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.21 3ci2 s VAL 28 Cb 0.14 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3ci2 s VAL 28 CO 0.89 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.52 3ci2 n GLY 29 N 4.87 0.93 3.99 4.51 0.00 -1.17 -5.01 105.19 113.31 3ci2 n GLY 29 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.33 2.67 0.65 1.61 -0.14 0.70 -4.83 119.74 120.06 3ci2 s LYS 30 Ca 0.00 -1.39 -0.05 0.00 -1.36 0.00 0.00 55.97 53.17 3ci2 s LYS 30 Cb 0.00 -2.65 0.04 0.00 -1.68 0.00 0.00 37.83 33.55 3ci2 s LYS 30 CO 0.00 -0.37 0.94 -1.54 -0.76 0.00 0.00 175.35 173.62 3ci2 s SER 31 N -4.36 5.08 0.14 2.83 1.04 -1.26 -0.64 113.70 116.53 3ci2 s SER 31 Ca 0.54 0.42 -0.10 0.00 0.48 0.00 0.00 55.95 57.29 3ci2 s SER 31 Cb -0.08 -1.20 -0.04 0.00 0.10 0.00 0.00 66.02 64.80 3ci2 s SER 31 CO 0.33 -1.38 1.46 1.62 0.98 0.00 0.00 173.24 176.24 3ci2 h VAL 32 N -0.37 1.27 -0.02 5.02 3.04 -1.29 0.23 116.25 124.15 3ci2 h VAL 32 Ca -0.44 -1.64 -0.00 0.00 -1.01 0.00 0.00 66.70 63.61 3ci2 h VAL 32 Cb 1.30 1.50 -0.00 0.00 -2.01 0.00 0.00 31.29 32.07 3ci2 h VAL 32 CO 0.59 0.54 0.00 1.05 -1.01 0.00 0.00 177.57 178.74 3ci2 h GLU 33 N 0.70 0.03 -0.43 4.17 -0.00 -1.95 -0.11 114.58 116.99 3ci2 h GLU 33 Ca 0.04 -0.01 0.02 0.00 -0.00 0.00 0.00 59.36 59.41 3ci2 h GLU 33 Cb 1.05 -0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 29.77 3ci2 h GLU 33 CO 0.11 0.29 0.25 1.49 -0.00 0.00 0.00 179.01 181.14 3ci2 h GLU 34 N -0.23 0.49 -0.02 1.06 4.81 -1.95 0.46 114.58 119.19 3ci2 h GLU 34 Ca 0.01 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3ci2 h GLU 34 Cb 0.27 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.48 3ci2 h GLU 34 CO 0.00 0.32 -0.48 0.00 -0.73 0.00 0.00 179.01 178.13 3ci2 h ALA 35 N 1.20 -0.78 -0.41 2.92 0.00 -0.14 0.44 119.26 122.48 3ci2 h ALA 35 Ca 0.17 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3ci2 h ALA 35 Cb 0.02 0.85 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 3ci2 h ALA 35 CO -0.08 -1.02 -0.36 0.87 0.00 0.00 0.00 179.25 178.65 3ci2 h LYS 36 N -0.61 -0.26 -0.54 0.00 1.57 -0.13 0.43 116.57 117.02 3ci2 h LYS 36 Ca 0.04 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.94 3ci2 h LYS 36 Cb 0.69 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 32.95 3ci2 h LYS 36 CO -0.35 -0.17 -0.20 -0.22 -0.57 0.00 0.00 179.45 177.93 3ci2 h LYS 37 N -0.27 -0.07 0.14 3.15 3.64 -0.06 0.10 116.57 123.20 3ci2 h LYS 37 Ca 0.17 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 3ci2 h LYS 37 Cb 0.56 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3ci2 h LYS 37 CO -0.56 -0.05 -0.07 0.28 -2.27 0.00 0.00 179.45 176.79 3ci2 h VAL 38 N -0.07 1.00 -0.56 2.00 2.07 0.10 -3.25 116.25 117.54 3ci2 h VAL 38 Ca 0.25 -1.03 0.11 0.00 0.82 0.00 0.00 66.70 66.86 3ci2 h VAL 38 Cb 0.47 1.60 -0.09 0.00 -1.52 0.00 0.00 31.29 31.75 3ci2 h VAL 38 CO -0.60 0.23 0.05 0.40 0.02 0.00 0.00 177.57 177.67 3ci2 h ILE 39 N -0.71 0.60 -0.39 4.57 2.04 0.32 0.32 117.51 124.26 3ci2 h ILE 39 Ca -0.02 -0.06 0.11 0.00 1.00 0.00 0.00 64.86 65.89 3ci2 h ILE 39 Cb 0.52 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 3ci2 h ILE 39 CO 0.03 0.03 0.31 -0.07 0.00 0.00 0.00 178.15 178.45 3ci2 h LEU 40 N 0.17 0.00 -1.11 1.44 3.38 -0.91 0.31 115.31 118.59 3ci2 h LEU 40 Ca 0.29 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 3ci2 h LEU 40 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3ci2 h LEU 40 CO -0.43 0.00 -0.07 -0.61 0.09 0.00 0.00 178.44 177.42 3ci2 h GLN 41 N 0.00 0.55 0.01 1.13 4.15 -0.39 -3.35 115.11 117.20 3ci2 h GLN 41 Ca 0.18 -0.14 -0.21 0.00 0.77 0.00 0.00 58.65 59.25 3ci2 h GLN 41 Cb 0.79 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.39 3ci2 h GLN 41 CO -0.00 0.62 -1.17 -0.44 -1.93 0.00 0.00 178.83 175.91 3ci2 h ASP 42 N 0.51 0.02 -2.51 -0.69 5.19 -0.46 -3.44 116.42 115.04 3ci2 h ASP 42 Ca 0.10 -0.58 -0.64 0.00 -0.62 0.00 0.00 57.03 55.29 3ci2 h ASP 42 Cb 0.44 -0.01 -0.39 0.00 0.18 0.00 0.00 39.33 39.55 3ci2 h ASP 42 CO 0.02 1.46 -0.33 1.17 -3.12 0.00 0.00 179.24 178.44 3ci2 n LYS 43 N -4.41 2.77 0.00 3.56 3.00 0.68 -5.00 118.16 118.76 3ci2 n LYS 43 Ca -0.30 -4.62 0.00 0.00 -0.00 0.00 0.00 58.31 53.39 3ci2 n LYS 43 Cb 0.68 -2.32 0.00 0.00 0.00 0.00 0.00 35.03 33.39 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 1.17 0.00 0.03 1.64 -0.02 -1.26 -0.20 135.00 136.36 3ci2 n PRO 44 Ca 0.27 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.77 3ci2 n PRO 44 Cb 0.39 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.78 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 -1.58 0.63 -0.92 -0.52 4.71 -1.26 -4.97 120.64 116.73 3ci2 n GLU 45 Ca 0.00 0.17 -0.01 0.00 -0.01 0.00 0.00 57.16 57.31 3ci2 n GLU 45 Cb 0.00 -1.77 -0.01 0.00 -1.01 0.00 0.00 31.44 28.65 3ci2 n GLU 45 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ci2 n ALA 46 N -2.39 0.47 -1.52 0.62 0.00 0.72 -4.62 120.51 113.79 3ci2 n ALA 46 Ca -0.10 -0.90 -0.42 0.00 0.00 0.00 0.00 53.44 52.01 3ci2 n ALA 46 Cb 0.81 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 19.73 3ci2 n ALA 46 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ci2 n GLN 47 N 4.12 2.38 -2.34 0.00 1.13 0.14 -4.72 117.38 118.09 3ci2 n GLN 47 Ca 0.02 -2.33 -0.42 0.00 -1.94 0.00 0.00 57.00 52.34 3ci2 n GLN 47 Cb 0.44 -3.15 -0.03 0.00 0.11 0.00 0.00 30.24 27.61 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 3.83 3.70 0.29 5.09 1.01 -1.26 -4.63 121.20 129.22 3ci2 s ILE 48 Ca 0.51 1.29 0.08 0.00 0.00 0.00 0.00 60.65 62.53 3ci2 s ILE 48 Cb 0.14 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 3ci2 s ILE 48 CO -0.02 0.14 0.13 -0.63 0.00 0.00 0.00 174.94 174.56 3ci2 s ILE 49 N 0.70 3.65 -0.39 2.92 1.09 -1.26 -5.03 121.20 122.87 3ci2 s ILE 49 Ca 0.58 -1.63 -0.25 0.00 -1.10 0.00 0.00 60.65 58.25 3ci2 s ILE 49 Cb -0.32 -3.09 0.02 0.00 -1.06 0.00 0.00 42.46 38.00 3ci2 s ILE 49 CO 0.32 -0.29 0.86 0.54 -0.10 0.00 0.00 174.94 176.27 3ci2 s VAL 50 N -2.29 4.62 -0.39 2.92 0.11 -1.26 -4.31 120.40 119.79 3ci2 s VAL 50 Ca 0.35 0.94 -0.02 0.00 -2.93 0.00 0.00 61.98 60.32 3ci2 s VAL 50 Cb -0.06 -4.31 0.10 0.00 -1.53 0.00 0.00 36.38 30.59 3ci2 s VAL 50 CO 0.23 -0.57 0.17 -0.76 -3.33 0.00 0.00 175.10 170.83 3ci2 s LEU 51 N 3.38 5.08 0.19 2.54 2.01 -1.11 -5.06 118.68 125.71 3ci2 s LEU 51 Ca 0.35 -1.98 -0.31 0.00 0.01 0.00 0.00 54.13 52.20 3ci2 s LEU 51 Cb -0.12 -1.79 -0.10 0.00 0.01 0.00 0.00 46.19 44.19 3ci2 s LEU 51 CO 0.20 -0.50 1.50 -2.16 1.01 0.00 0.00 176.35 176.40 3ci2 s PRO 52 N 1.12 4.25 -0.25 1.29 0.04 -1.26 -0.75 135.00 139.44 3ci2 s PRO 52 Ca 0.08 2.30 -0.41 0.00 0.04 0.00 0.00 61.00 63.01 3ci2 s PRO 52 Cb -0.22 -3.15 -0.17 0.00 0.04 0.00 0.00 34.50 31.00 3ci2 s PRO 52 CO -0.04 -0.52 1.64 0.28 0.04 0.00 0.00 177.00 178.40 3ci2 n VAL 53 N 3.37 0.21 0.00 -0.36 0.31 0.24 -1.66 118.33 120.44 3ci2 n VAL 53 Ca 0.11 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 3ci2 n VAL 53 Cb 0.40 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 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 3.82 0.83 3.52 2.92 0.00 -1.26 -5.00 105.19 110.02 3ci2 n GLY 54 Ca 0.26 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.01 -1.52 2.61 -1.04 -0.66 -4.76 114.28 108.90 3ci2 n THR 55 Ca 0.00 -0.44 -0.40 0.00 -2.04 0.00 0.00 64.05 61.17 3ci2 n THR 55 Cb 0.00 -0.90 -0.08 0.00 -1.82 0.00 0.00 70.33 67.53 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 6.98 -0.01 -3.34 12.58 2.08 -1.26 -4.91 119.36 131.48 3ci2 n ILE 56 Ca 0.59 -0.46 -0.20 0.00 0.56 0.00 0.00 62.75 63.24 3ci2 n ILE 56 Cb 0.24 -1.88 0.04 0.00 -0.75 0.00 0.00 39.64 37.29 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 7.72 0.00 -3.09 1.39 0.24 -1.26 -5.12 118.33 118.21 3ci2 n VAL 57 Ca 0.47 -1.85 -0.26 0.00 -2.04 0.00 0.00 64.34 60.66 3ci2 n VAL 57 Cb 0.33 -0.37 -0.01 0.00 -1.47 0.00 0.00 33.84 32.31 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 -2.36 5.01 -0.37 3.34 2.01 -1.26 -4.96 115.64 117.04 3ci2 s THR 58 Ca 0.46 -0.09 -0.00 0.00 0.31 0.00 0.00 61.69 62.36 3ci2 s THR 58 Cb -0.04 -3.83 0.31 0.00 0.01 0.00 0.00 72.50 68.95 3ci2 s THR 58 CO 0.29 -0.61 1.90 0.23 -0.69 0.00 0.00 174.62 175.73 3ci2 n MET 59 N -1.77 1.95 -0.42 4.92 2.81 -1.26 -4.88 117.12 118.47 3ci2 n MET 59 Ca -0.02 -1.95 -0.05 0.00 -1.81 0.00 0.00 57.70 53.87 3ci2 n MET 59 Cb 0.55 -1.76 0.03 0.00 -0.71 0.00 0.00 33.22 31.33 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 -0.11 -0.11 -3.56 0.03 0.28 -1.26 -5.08 120.64 110.83 3ci2 n GLU 60 Ca 0.38 -0.37 -0.28 0.00 -0.16 0.00 0.00 57.16 56.73 3ci2 n GLU 60 Cb 0.77 -0.22 -0.11 0.00 1.43 0.00 0.00 31.44 33.31 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 -1.32 1.74 -1.24 -1.84 6.14 -1.26 -4.89 117.35 114.69 3ci2 s TYR 61 Ca 0.13 -2.50 -0.13 0.00 0.64 0.00 0.00 57.07 55.20 3ci2 s TYR 61 Cb -0.00 -1.46 0.16 0.00 0.42 0.00 0.00 41.96 41.07 3ci2 s TYR 61 CO 0.09 -0.76 1.56 0.54 0.64 0.00 0.00 175.55 177.62 3ci2 n ARG 62 N 2.86 3.38 0.00 4.97 5.12 0.12 -4.65 116.66 128.46 3ci2 n ARG 62 Ca 0.23 -3.71 0.07 0.00 -1.93 0.00 0.00 57.85 52.52 3ci2 n ARG 62 Cb 0.42 -3.08 0.41 0.00 -1.16 0.00 0.00 32.46 29.05 3ci2 n ARG 62 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 3ci2 n ILE 63 N 4.61 0.37 1.22 0.55 0.13 -1.26 0.41 119.36 125.40 3ci2 n ILE 63 Ca 0.39 0.09 0.13 0.00 -1.10 0.00 0.00 62.75 62.27 3ci2 n ILE 63 Cb 0.42 -0.85 0.48 0.00 -0.84 0.00 0.00 39.64 38.85 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 -1.18 0.54 -3.86 9.51 5.68 -1.26 -4.76 116.55 121.22 3ci2 n ASP 64 Ca 0.09 -0.43 -0.11 0.00 -0.50 0.00 0.00 54.79 53.84 3ci2 n ASP 64 Cb 0.09 -0.01 -0.10 0.00 -1.14 0.00 0.00 41.12 39.97 3ci2 n ASP 64 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3ci2 s ARG 65 N -2.67 0.53 -0.34 0.11 3.52 0.17 0.27 118.95 120.54 3ci2 s ARG 65 Ca 0.22 -0.43 -0.04 0.00 -0.13 0.00 0.00 55.73 55.34 3ci2 s ARG 65 Cb 0.19 0.22 0.05 0.00 -1.56 0.00 0.00 34.95 33.86 3ci2 s ARG 65 CO 0.54 -0.13 0.08 0.08 -0.81 0.00 0.00 175.30 175.06 3ci2 s VAL 66 N -1.59 3.46 0.09 7.11 1.01 -1.26 -1.03 120.40 128.19 3ci2 s VAL 66 Ca -0.13 -1.34 -0.31 0.00 0.00 0.00 0.00 61.98 60.21 3ci2 s VAL 66 Cb -0.06 -3.02 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 3ci2 s VAL 66 CO 0.01 -0.22 1.71 -0.60 0.00 0.00 0.00 175.10 176.00 3ci2 s ARG 67 N 1.32 4.18 -0.78 2.72 6.06 0.55 -4.55 118.95 128.45 3ci2 s ARG 67 Ca -0.02 2.43 0.03 0.00 -2.50 0.00 0.00 55.73 55.67 3ci2 s ARG 67 Cb -0.20 -3.58 0.23 0.00 0.06 0.00 0.00 34.95 31.47 3ci2 s ARG 67 CO 0.01 -0.77 0.80 -0.11 -2.50 0.00 0.00 175.30 172.73 3ci2 n LEU 68 N 5.55 4.08 -4.57 -0.88 7.94 -1.26 -2.54 117.00 125.32 3ci2 n LEU 68 Ca 0.16 -5.29 -0.41 0.00 -1.11 0.00 0.00 56.01 49.36 3ci2 n LEU 68 Cb 0.40 -0.87 -0.03 0.00 0.53 0.00 0.00 43.42 43.45 3ci2 n LEU 68 CO 0.64 1.83 1.41 -0.36 -1.11 0.00 0.00 177.39 179.79 3ci2 s PHE 69 N -2.06 2.02 0.44 1.96 0.08 -1.25 -2.75 117.98 116.43 3ci2 s PHE 69 Ca 0.33 0.60 0.07 0.00 0.12 0.00 0.00 56.93 58.05 3ci2 s PHE 69 Cb 0.04 -4.25 -0.01 0.00 -0.57 0.00 0.00 43.02 38.23 3ci2 s PHE 69 CO -0.06 -2.27 0.39 0.14 -0.10 0.00 0.00 175.22 173.33 3ci2 s VAL 70 N 7.01 2.45 0.00 -0.44 -7.23 0.08 -2.78 120.40 119.49 3ci2 s VAL 70 Ca 0.62 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 3ci2 s VAL 70 Cb -0.14 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 33.98 3ci2 s VAL 70 CO 0.26 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.15 3ci2 n ASP 71 N -1.60 0.00 -0.76 4.85 5.75 0.11 0.82 116.55 125.71 3ci2 n ASP 71 Ca 0.03 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.89 3ci2 n ASP 71 Cb 0.62 0.00 0.23 0.00 -1.03 0.00 0.00 41.12 40.94 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 1.96 -2.34 0.11 4.81 -1.26 -3.59 118.16 117.85 3ci2 n LYS 72 Ca 0.00 -1.49 0.01 0.00 -0.87 0.00 0.00 58.31 55.96 3ci2 n LYS 72 Cb 0.00 -1.36 0.04 0.00 0.02 0.00 0.00 35.03 33.73 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 0.70 1.14 -1.59 3.14 4.77 -1.26 -5.02 117.00 118.88 3ci2 n LEU 73 Ca 0.15 -2.67 0.00 0.00 -0.03 0.00 0.00 56.01 53.46 3ci2 n LEU 73 Cb 0.37 0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 3ci2 n LEU 73 CO 0.11 0.91 0.00 -0.90 -1.33 0.00 0.00 177.39 176.18 3ci2 n ASP 74 N -0.28 -0.48 -4.71 -1.43 5.68 -1.24 -4.89 116.55 109.20 3ci2 n ASP 74 Ca 0.04 0.24 -0.35 0.00 -0.50 0.00 0.00 54.79 54.22 3ci2 n ASP 74 Cb 0.91 -0.65 -0.09 0.00 -1.14 0.00 0.00 41.12 40.16 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 -1.29 5.72 -0.02 -1.12 0.01 -1.26 -0.72 114.94 116.25 3ci2 s ASN 75 Ca 0.00 0.20 -0.30 0.00 -0.71 0.00 0.00 52.86 52.06 3ci2 s ASN 75 Cb 0.00 -1.85 -0.07 0.00 0.41 0.00 0.00 41.25 39.74 3ci2 s ASN 75 CO 0.00 0.30 1.88 -0.63 -1.51 0.00 0.00 177.10 177.14 3ci2 s ILE 76 N -0.36 3.21 -0.23 0.60 1.01 0.18 0.05 121.20 125.67 3ci2 s ILE 76 Ca 0.09 0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.82 3ci2 s ILE 76 Cb -0.12 -3.18 -0.14 0.00 0.01 0.00 0.00 42.46 39.03 3ci2 s ILE 76 CO 0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 174.94 174.84 3ci2 n ALA 77 N 7.83 0.94 -2.55 9.38 0.00 -1.24 -3.07 120.51 131.80 3ci2 n ALA 77 Ca 0.20 -0.76 -0.24 0.00 0.00 0.00 0.00 53.44 52.64 3ci2 n ALA 77 Cb 0.42 -0.20 -0.09 0.00 0.00 0.00 0.00 19.45 19.59 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 -2.45 2.02 0.24 0.00 0.74 -1.12 -5.03 119.66 114.06 3ci2 s GLN 78 Ca -0.32 -1.65 -0.30 0.00 0.05 0.00 0.00 55.36 53.14 3ci2 s GLN 78 Cb 0.09 -1.95 -0.09 0.00 1.10 0.00 0.00 33.01 32.17 3ci2 s GLN 78 CO 0.51 0.27 1.15 0.08 -0.55 0.00 0.00 175.29 176.75 3ci2 s VAL 79 N -2.46 3.52 0.50 1.34 1.01 -1.26 -4.81 120.40 118.24 3ci2 s VAL 79 Ca 0.32 1.40 -0.18 0.00 0.00 0.00 0.00 61.98 63.52 3ci2 s VAL 79 Cb -0.04 -3.89 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 3ci2 s VAL 79 CO 0.18 0.28 1.00 -2.84 0.00 0.00 0.00 175.10 173.72 3ci2 s PRO 80 N -0.89 3.90 0.10 2.72 0.02 -1.26 -4.88 135.00 134.70 3ci2 s PRO 80 Ca 0.48 1.10 -0.20 0.00 0.02 0.00 0.00 61.00 62.39 3ci2 s PRO 80 Cb -0.32 -2.12 0.05 0.00 0.02 0.00 0.00 34.50 32.12 3ci2 s PRO 80 CO 0.39 -0.32 0.50 -0.98 -0.33 0.00 0.00 177.00 176.27 3ci2 s ARG 81 N -3.72 1.11 0.02 5.54 1.70 -1.05 -0.92 118.95 121.63 3ci2 s ARG 81 Ca 0.62 -0.45 -0.28 0.00 -0.47 0.00 0.00 55.73 55.14 3ci2 s ARG 81 Cb -0.12 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 3ci2 s ARG 81 CO 0.26 -0.44 0.91 0.08 -1.08 0.00 0.00 175.30 175.03 3ci2 s VAL 82 N -3.23 4.80 0.00 4.99 1.01 0.72 -0.33 120.40 128.36 3ci2 s VAL 82 Ca -0.01 1.93 0.00 0.00 0.00 0.00 0.00 61.98 63.90 3ci2 s VAL 82 Cb 0.00 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.12 3ci2 s VAL 82 CO -0.08 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.86