#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 3.27 -0.89 3.23 0.00 -1.26 -4.79 118.16 117.72 3ci2 n LYS 21 Ca 0.00 -4.85 0.07 0.00 0.00 0.00 0.00 58.31 53.53 3ci2 n LYS 21 Cb 0.00 -2.25 0.41 0.00 0.00 0.00 0.00 35.03 33.19 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 -0.16 2.72 -3.93 3.15 -2.24 -1.26 -4.89 114.28 107.67 3ci2 n THR 22 Ca 0.31 -1.39 -0.10 0.00 -2.27 0.00 0.00 64.05 60.60 3ci2 n THR 22 Cb 0.39 -0.25 -0.10 0.00 -2.10 0.00 0.00 70.33 68.27 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 -2.71 0.45 -0.57 -0.78 1.03 -1.26 -0.09 118.70 114.77 3ci2 s GLU 23 Ca 0.55 -0.58 0.06 0.00 0.03 0.00 0.00 54.97 55.02 3ci2 s GLU 23 Cb 0.41 0.18 0.21 0.00 -0.80 0.00 0.00 34.13 34.13 3ci2 s GLU 23 CO 0.17 -0.10 0.54 0.91 -1.33 0.00 0.00 175.26 175.45 3ci2 n TRP 24 N 1.30 1.84 0.36 4.83 8.01 0.29 -4.90 117.44 129.17 3ci2 n TRP 24 Ca -0.22 -3.92 0.12 0.00 -1.31 0.00 0.00 57.50 52.17 3ci2 n TRP 24 Cb 0.56 -0.37 0.23 0.00 -2.01 0.00 0.00 31.31 29.73 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 4.84 0.00 0.00 -0.99 0.13 -1.96 -3.19 132.00 130.83 3ci2 h PRO 25 Ca 0.17 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.14 3ci2 h PRO 25 Cb 0.78 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 3ci2 h PRO 25 CO 0.63 0.00 -0.76 1.05 -0.23 0.00 0.00 178.00 178.69 3ci2 h GLU 26 N 0.00 0.00 -0.83 0.86 9.09 -1.98 -3.18 114.58 118.54 3ci2 h GLU 26 Ca 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.30 3ci2 h GLU 26 Cb 0.90 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.93 3ci2 h GLU 26 CO 0.00 0.76 0.14 1.47 0.05 0.00 0.00 179.01 181.43 3ci2 n LEU 27 N -3.44 4.41 -4.75 3.06 -0.00 -1.20 -4.92 117.00 110.15 3ci2 n LEU 27 Ca 0.00 -2.27 -0.29 0.00 -0.00 0.00 0.00 56.01 53.45 3ci2 n LEU 27 Cb 0.79 -0.65 0.14 0.00 -0.00 0.00 0.00 43.42 43.70 3ci2 n LEU 27 CO 0.44 0.61 0.68 -0.69 -0.00 0.00 0.00 177.39 178.43 3ci2 s VAL 28 N -2.07 2.41 -1.36 1.47 1.01 -1.20 -3.88 120.40 116.77 3ci2 s VAL 28 Ca 0.34 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.34 3ci2 s VAL 28 Cb 0.27 -2.76 0.09 0.00 0.00 0.00 0.00 36.38 33.98 3ci2 s VAL 28 CO 0.09 -0.17 0.57 0.61 0.00 0.00 0.00 175.10 176.19 3ci2 n GLY 29 N -1.66 -0.48 3.28 4.51 0.00 0.70 -4.85 105.19 106.69 3ci2 n GLY 29 Ca 0.06 0.10 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 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 -6.21 1.53 0.51 1.61 1.02 -1.25 -4.78 119.74 112.17 3ci2 s LYS 30 Ca 0.48 -1.87 -0.07 0.00 0.02 0.00 0.00 55.97 54.54 3ci2 s LYS 30 Cb -0.25 0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.14 3ci2 s LYS 30 CO 0.59 -0.49 0.84 -1.54 -0.92 0.00 0.00 175.35 173.83 3ci2 s SER 31 N -3.32 6.26 0.38 2.83 1.04 -1.26 0.45 113.70 120.08 3ci2 s SER 31 Ca 0.38 1.05 0.09 0.00 0.48 0.00 0.00 55.95 57.95 3ci2 s SER 31 Cb 0.05 -2.30 0.76 0.00 0.10 0.00 0.00 66.02 64.63 3ci2 s SER 31 CO 0.19 -0.64 1.91 1.62 0.98 0.00 0.00 173.24 177.30 3ci2 h VAL 32 N 0.12 1.18 -0.28 5.02 3.04 -1.76 0.14 116.25 123.71 3ci2 h VAL 32 Ca -0.46 -0.78 -0.02 0.00 -1.01 0.00 0.00 66.70 64.43 3ci2 h VAL 32 Cb 1.20 1.18 -0.01 0.00 -2.01 0.00 0.00 31.29 31.64 3ci2 h VAL 32 CO 0.62 0.25 0.09 -0.33 -1.01 0.00 0.00 177.57 177.19 3ci2 h GLU 33 N 0.26 0.42 0.38 4.17 4.39 -1.93 0.16 114.58 122.44 3ci2 h GLU 33 Ca 0.05 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3ci2 h GLU 33 Cb 0.37 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3ci2 h GLU 33 CO 0.02 0.48 -0.26 0.93 -1.16 0.00 0.00 179.01 179.02 3ci2 h GLU 34 N 0.29 -0.60 -0.57 2.33 5.08 -1.86 -1.66 114.58 117.58 3ci2 h GLU 34 Ca 0.09 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.59 3ci2 h GLU 34 Cb 0.22 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 29.50 3ci2 h GLU 34 CO -0.00 -0.40 -0.36 0.00 -1.00 0.00 0.00 179.01 177.24 3ci2 h ALA 35 N -0.05 -0.14 -0.22 3.43 0.00 -0.69 0.17 119.26 121.76 3ci2 h ALA 35 Ca -0.04 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3ci2 h ALA 35 Cb 0.52 0.83 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 3ci2 h ALA 35 CO 0.02 -0.73 -0.40 0.87 0.00 0.00 0.00 179.25 179.02 3ci2 h LYS 36 N -0.19 -0.40 -0.39 0.00 1.57 -0.43 0.27 116.57 116.99 3ci2 h LYS 36 Ca 0.21 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 59.09 3ci2 h LYS 36 Cb 0.56 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.90 3ci2 h LYS 36 CO -0.67 -0.27 0.04 0.87 -0.57 0.00 0.00 179.45 178.85 3ci2 h LYS 37 N -0.42 0.15 0.48 3.15 1.57 -0.18 0.18 116.57 121.50 3ci2 h LYS 37 Ca 0.10 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3ci2 h LYS 37 Cb 0.60 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3ci2 h LYS 37 CO -0.44 0.10 -0.34 0.28 -0.57 0.00 0.00 179.45 178.48 3ci2 h VAL 38 N 0.16 0.30 -0.57 0.50 2.07 0.39 -2.23 116.25 116.88 3ci2 h VAL 38 Ca 0.19 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.78 3ci2 h VAL 38 Cb 0.25 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 3ci2 h VAL 38 CO -0.28 0.00 0.24 0.40 0.02 0.00 0.00 177.57 177.95 3ci2 h ILE 39 N -0.80 0.85 -0.92 4.57 2.04 -0.05 0.47 117.51 123.67 3ci2 h ILE 39 Ca -0.05 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 65.74 3ci2 h ILE 39 Cb 0.67 0.36 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 3ci2 h ILE 39 CO 0.02 0.08 0.60 -0.07 0.00 0.00 0.00 178.15 178.78 3ci2 h LEU 40 N 0.45 0.88 -0.55 1.44 3.38 -0.56 0.36 115.31 120.71 3ci2 h LEU 40 Ca 0.27 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.28 3ci2 h LEU 40 Cb 0.27 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3ci2 h LEU 40 CO -0.24 0.54 0.34 -0.61 0.09 0.00 0.00 178.44 178.56 3ci2 h GLN 41 N 0.98 0.66 -0.08 1.13 4.15 0.55 -2.62 115.11 119.89 3ci2 h GLN 41 Ca 0.42 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.76 3ci2 h GLN 41 Cb 0.32 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 3ci2 h GLN 41 CO -0.18 0.44 -0.09 -0.44 -1.93 0.00 0.00 178.83 176.63 3ci2 h ASP 42 N 0.68 0.23 -2.50 -0.69 5.19 -0.48 -3.40 116.42 115.45 3ci2 h ASP 42 Ca 0.22 -0.50 -0.60 0.00 -0.62 0.00 0.00 57.03 55.53 3ci2 h ASP 42 Cb -0.00 -0.06 -0.41 0.00 0.18 0.00 0.00 39.33 39.03 3ci2 h ASP 42 CO -0.08 0.68 -0.70 1.17 -3.12 0.00 0.00 179.24 177.18 3ci2 n LYS 43 N -4.67 1.75 0.00 3.56 4.81 0.11 -5.05 118.16 118.68 3ci2 n LYS 43 Ca -0.07 -4.23 0.00 0.00 -0.87 0.00 0.00 58.31 53.14 3ci2 n LYS 43 Cb 0.33 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.32 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 1.56 0.00 -0.11 1.64 -0.02 -0.99 -0.45 135.00 136.63 3ci2 n PRO 44 Ca 0.25 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.81 3ci2 n PRO 44 Cb 0.41 0.00 0.27 0.00 -0.02 0.00 0.00 33.50 34.16 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 -1.14 1.67 -1.45 -0.52 -0.00 -1.26 -4.86 120.64 113.08 3ci2 n GLU 45 Ca 0.00 -1.03 -0.45 0.00 -0.00 0.00 0.00 57.16 55.68 3ci2 n GLU 45 Cb 0.00 -1.31 -0.12 0.00 -0.00 0.00 0.00 31.44 30.01 3ci2 n GLU 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ci2 n ALA 46 N 0.29 0.43 -2.77 -1.84 0.00 0.41 -4.79 120.51 112.23 3ci2 n ALA 46 Ca 0.13 -0.25 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 3ci2 n ALA 46 Cb 0.28 -2.39 -0.01 0.00 0.00 0.00 0.00 19.45 17.33 3ci2 n ALA 46 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ci2 s GLN 47 N 7.96 3.89 0.14 0.00 -1.52 0.19 -4.82 119.66 125.50 3ci2 s GLN 47 Ca 1.25 -2.03 -0.30 0.00 -1.95 0.00 0.00 55.36 52.33 3ci2 s GLN 47 Cb -1.12 -5.23 -0.07 0.00 -0.22 0.00 0.00 33.01 26.38 3ci2 s GLN 47 CO 0.49 -1.98 0.94 0.42 -0.25 0.00 0.00 175.29 174.91 3ci2 s ILE 48 N 3.10 4.41 -0.03 1.08 1.01 -1.26 -3.85 121.20 125.66 3ci2 s ILE 48 Ca 0.45 2.05 0.05 0.00 0.00 0.00 0.00 60.65 63.20 3ci2 s ILE 48 Cb -0.01 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 38.14 3ci2 s ILE 48 CO -0.01 0.37 -0.18 -0.63 0.00 0.00 0.00 174.94 174.49 3ci2 s ILE 49 N -0.30 1.44 0.06 2.92 1.09 -1.07 -4.93 121.20 120.40 3ci2 s ILE 49 Ca 0.45 -0.75 -0.08 0.00 -1.10 0.00 0.00 60.65 59.17 3ci2 s ILE 49 Cb -0.24 -1.22 -0.05 0.00 -1.06 0.00 0.00 42.46 39.89 3ci2 s ILE 49 CO 0.30 0.41 0.34 0.54 -0.10 0.00 0.00 174.94 176.43 3ci2 s VAL 50 N -0.20 5.19 0.01 2.92 0.11 -1.26 -2.00 120.40 125.18 3ci2 s VAL 50 Ca 0.02 0.27 -0.02 0.00 -2.93 0.00 0.00 61.98 59.32 3ci2 s VAL 50 Cb -0.09 -3.61 -0.01 0.00 -1.53 0.00 0.00 36.38 31.13 3ci2 s VAL 50 CO 0.01 0.29 0.01 -0.76 -3.33 0.00 0.00 175.10 171.32 3ci2 s LEU 51 N -1.94 2.07 0.11 2.54 1.02 0.04 -4.92 118.68 117.59 3ci2 s LEU 51 Ca 0.32 -0.41 -0.28 0.00 0.02 0.00 0.00 54.13 53.77 3ci2 s LEU 51 Cb -0.13 0.23 -0.06 0.00 0.02 0.00 0.00 46.19 46.25 3ci2 s LEU 51 CO 0.18 -0.31 0.89 -2.16 0.02 0.00 0.00 176.35 174.98 3ci2 s PRO 52 N -1.39 4.65 0.04 1.29 0.04 -1.26 -0.81 135.00 137.56 3ci2 s PRO 52 Ca -0.15 1.33 -0.38 0.00 0.04 0.00 0.00 61.00 61.84 3ci2 s PRO 52 Cb -0.09 -3.36 -0.19 0.00 0.04 0.00 0.00 34.50 30.90 3ci2 s PRO 52 CO -0.00 0.28 1.14 0.28 0.04 0.00 0.00 177.00 178.74 3ci2 n VAL 53 N 2.61 0.10 0.00 -0.36 0.31 0.18 -3.06 118.33 118.11 3ci2 n VAL 53 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 3ci2 n VAL 53 Cb 0.49 -0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 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 1.86 3.10 3.27 2.92 0.00 -1.26 -5.03 105.19 110.05 3ci2 n GLY 54 Ca 0.19 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 -1.81 2.61 -1.04 -1.17 -4.88 114.28 107.99 3ci2 n THR 55 Ca 0.00 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.05 61.35 3ci2 n THR 55 Cb 0.00 -0.50 -0.01 0.00 -1.82 0.00 0.00 70.33 67.99 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 -2.25 2.14 0.00 12.58 -1.09 -1.26 -4.94 121.20 126.38 3ci2 s ILE 56 Ca 0.53 0.12 0.00 0.00 -2.23 0.00 0.00 60.65 59.07 3ci2 s ILE 56 Cb -0.13 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 3ci2 s ILE 56 CO 0.68 0.02 0.00 0.52 -1.23 0.00 0.00 174.94 174.93 3ci2 n VAL 57 N 1.87 0.00 -2.93 2.92 0.31 -1.26 -5.01 118.33 114.23 3ci2 n VAL 57 Ca 0.07 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.96 3ci2 n VAL 57 Cb 0.38 -0.49 -0.01 0.00 -0.91 0.00 0.00 33.84 32.81 3ci2 n VAL 57 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3ci2 s THR 58 N -0.21 4.90 0.00 2.52 2.01 -1.26 -4.86 115.64 118.74 3ci2 s THR 58 Ca 0.00 -2.24 0.00 0.00 0.31 0.00 0.00 61.69 59.76 3ci2 s THR 58 Cb 0.00 -4.87 0.00 0.00 0.01 0.00 0.00 72.50 67.64 3ci2 s THR 58 CO 0.00 -1.59 0.00 0.80 -0.69 0.00 0.00 174.62 173.14 3ci2 n MET 59 N 6.03 2.22 -0.73 4.92 1.56 -1.26 -5.09 117.12 124.77 3ci2 n MET 59 Ca 0.32 0.00 -0.12 0.00 -0.27 0.00 0.00 57.70 57.63 3ci2 n MET 59 Cb 0.45 0.00 0.09 0.00 2.15 0.00 0.00 33.22 35.91 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 0.00 -0.76 -5.25 2.12 -0.00 -1.26 -5.05 120.64 110.44 3ci2 n GLU 60 Ca 0.00 -0.83 -0.31 0.00 -0.00 0.00 0.00 57.16 56.01 3ci2 n GLU 60 Cb 0.00 -0.59 -0.16 0.00 -0.00 0.00 0.00 31.44 30.69 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 -2.15 2.39 -0.70 -1.84 5.04 -1.26 -5.01 117.35 113.82 3ci2 s TYR 61 Ca 0.31 -0.68 0.04 0.00 -2.44 0.00 0.00 57.07 54.30 3ci2 s TYR 61 Cb -0.01 -1.56 0.30 0.00 0.35 0.00 0.00 41.96 41.04 3ci2 s TYR 61 CO 0.22 -0.19 1.05 0.54 -1.34 0.00 0.00 175.55 175.82 3ci2 n ARG 62 N 2.90 3.41 0.00 4.97 3.00 -1.26 -4.91 116.66 124.77 3ci2 n ARG 62 Ca -0.17 -4.75 0.00 0.00 -0.01 0.00 0.00 57.85 52.92 3ci2 n ARG 62 Cb 0.52 -2.30 0.00 0.00 0.00 0.00 0.00 32.46 30.68 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 0.29 0.22 1.02 0.55 0.13 -1.26 0.04 119.36 120.34 3ci2 n ILE 63 Ca 0.32 0.38 0.14 0.00 -1.10 0.00 0.00 62.75 62.49 3ci2 n ILE 63 Cb 0.37 -1.38 0.56 0.00 -0.84 0.00 0.00 39.64 38.36 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 -0.95 0.09 -4.20 9.51 5.68 -1.26 -4.81 116.55 120.60 3ci2 n ASP 64 Ca 0.00 0.35 -0.20 0.00 -0.50 0.00 0.00 54.79 54.44 3ci2 n ASP 64 Cb 0.33 -0.37 -0.12 0.00 -1.14 0.00 0.00 41.12 39.82 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 -2.98 0.92 -0.13 0.11 3.52 0.11 0.54 118.95 121.04 3ci2 s ARG 65 Ca 0.14 -0.98 -0.02 0.00 -0.13 0.00 0.00 55.73 54.74 3ci2 s ARG 65 Cb 0.19 -1.00 -0.03 0.00 -1.56 0.00 0.00 34.95 32.56 3ci2 s ARG 65 CO 0.55 0.23 -0.06 0.08 -0.81 0.00 0.00 175.30 175.29 3ci2 s VAL 66 N -1.18 3.71 -0.33 7.11 1.01 -1.25 -0.37 120.40 129.11 3ci2 s VAL 66 Ca 0.01 -0.43 -0.21 0.00 0.00 0.00 0.00 61.98 61.34 3ci2 s VAL 66 Cb -0.10 -2.59 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 3ci2 s VAL 66 CO 0.03 0.52 0.66 -0.60 0.00 0.00 0.00 175.10 175.71 3ci2 s ARG 67 N 0.09 3.82 -0.68 2.72 6.06 0.12 -2.60 118.95 128.47 3ci2 s ARG 67 Ca -0.02 0.25 -0.07 0.00 -2.50 0.00 0.00 55.73 53.39 3ci2 s ARG 67 Cb -0.14 -3.76 0.18 0.00 0.06 0.00 0.00 34.95 31.29 3ci2 s ARG 67 CO 0.03 -0.66 0.54 -0.51 -2.50 0.00 0.00 175.30 172.20 3ci2 s LEU 68 N 2.72 5.78 -0.60 -0.88 1.02 -0.85 -2.34 118.68 123.53 3ci2 s LEU 68 Ca 0.26 -2.74 -0.28 0.00 0.02 0.00 0.00 54.13 51.40 3ci2 s LEU 68 Cb -0.15 -1.98 0.01 0.00 0.02 0.00 0.00 46.19 44.09 3ci2 s LEU 68 CO 0.13 -0.46 1.44 -0.36 0.02 0.00 0.00 176.35 177.12 3ci2 s PHE 69 N 0.10 2.22 0.44 0.29 0.08 -1.26 -0.78 117.98 119.07 3ci2 s PHE 69 Ca 0.16 0.40 0.07 0.00 0.12 0.00 0.00 56.93 57.69 3ci2 s PHE 69 Cb -0.17 -4.41 -0.02 0.00 -0.57 0.00 0.00 43.02 37.85 3ci2 s PHE 69 CO -0.05 -2.03 0.32 0.14 -0.10 0.00 0.00 175.22 173.50 3ci2 s VAL 70 N 6.32 2.33 0.00 -0.44 -7.23 0.01 -2.82 120.40 118.58 3ci2 s VAL 70 Ca 0.50 -1.49 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 3ci2 s VAL 70 Cb -0.10 -2.82 0.00 0.00 0.56 0.00 0.00 36.38 34.01 3ci2 s VAL 70 CO 0.22 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.11 3ci2 n ASP 71 N -1.49 0.00 -0.42 4.85 5.75 0.56 0.48 116.55 126.27 3ci2 n ASP 71 Ca 0.01 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.92 3ci2 n ASP 71 Cb 0.63 0.00 0.55 0.00 -1.03 0.00 0.00 41.12 41.27 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 1.58 -2.65 0.11 4.76 -1.26 -3.70 118.16 117.00 3ci2 n LYS 72 Ca 0.00 -0.85 -0.03 0.00 -2.87 0.00 0.00 58.31 54.56 3ci2 n LYS 72 Cb 0.00 -1.46 0.05 0.00 -1.84 0.00 0.00 35.03 31.77 3ci2 n LYS 72 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3ci2 n LEU 73 N 0.04 2.04 -1.52 -0.35 4.77 -1.26 -4.99 117.00 115.73 3ci2 n LEU 73 Ca 0.19 -3.23 0.00 0.00 -0.03 0.00 0.00 56.01 52.93 3ci2 n LEU 73 Cb 0.31 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 3ci2 n LEU 73 CO 0.16 1.17 0.00 -0.90 -1.33 0.00 0.00 177.39 176.49 3ci2 n ASP 74 N -0.57 -0.43 -4.74 -1.43 5.68 -1.24 -4.88 116.55 108.93 3ci2 n ASP 74 Ca 0.12 0.22 -0.34 0.00 -0.50 0.00 0.00 54.79 54.29 3ci2 n ASP 74 Cb 0.84 -0.63 -0.08 0.00 -1.14 0.00 0.00 41.12 40.11 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 5.52 -0.13 -1.12 0.01 -1.26 -1.91 114.94 114.79 3ci2 s ASN 75 Ca 0.00 0.17 -0.29 0.00 -0.71 0.00 0.00 52.86 52.03 3ci2 s ASN 75 Cb 0.00 -1.59 -0.04 0.00 0.41 0.00 0.00 41.25 40.03 3ci2 s ASN 75 CO 0.00 0.34 1.70 -0.63 -1.51 0.00 0.00 177.10 177.00 3ci2 s ILE 76 N -1.03 3.55 -0.22 0.60 1.01 0.17 -0.33 121.20 124.95 3ci2 s ILE 76 Ca 0.17 0.64 0.01 0.00 0.00 0.00 0.00 60.65 61.47 3ci2 s ILE 76 Cb -0.12 -3.50 -0.14 0.00 0.01 0.00 0.00 42.46 38.71 3ci2 s ILE 76 CO 0.07 -0.16 -0.20 0.00 0.00 0.00 0.00 174.94 174.65 3ci2 n ALA 77 N 8.10 1.51 -2.54 9.38 0.00 -1.14 -0.22 120.51 135.61 3ci2 n ALA 77 Ca 0.19 -0.95 -0.25 0.00 0.00 0.00 0.00 53.44 52.43 3ci2 n ALA 77 Cb 0.44 -0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 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 1.98 0.28 0.00 0.74 -1.13 -4.97 119.66 114.12 3ci2 s GLN 78 Ca -0.30 -1.76 -0.29 0.00 0.05 0.00 0.00 55.36 53.06 3ci2 s GLN 78 Cb 0.08 -1.88 -0.09 0.00 1.10 0.00 0.00 33.01 32.22 3ci2 s GLN 78 CO 0.51 0.19 1.01 0.08 -0.55 0.00 0.00 175.29 176.53 3ci2 s VAL 79 N -2.52 3.82 0.33 1.34 1.01 -1.26 -4.75 120.40 118.38 3ci2 s VAL 79 Ca 0.33 1.74 -0.24 0.00 0.00 0.00 0.00 61.98 63.82 3ci2 s VAL 79 Cb -0.01 -4.07 -0.10 0.00 0.00 0.00 0.00 36.38 32.20 3ci2 s VAL 79 CO 0.18 0.35 0.91 -2.84 0.00 0.00 0.00 175.10 173.70 3ci2 s PRO 80 N -1.54 4.47 0.23 2.72 0.02 -1.26 -4.76 135.00 134.89 3ci2 s PRO 80 Ca 0.45 1.22 -0.14 0.00 0.02 0.00 0.00 61.00 62.55 3ci2 s PRO 80 Cb -0.27 -2.69 0.01 0.00 0.02 0.00 0.00 34.50 31.56 3ci2 s PRO 80 CO 0.34 0.24 0.50 -0.98 -0.33 0.00 0.00 177.00 176.77 3ci2 s ARG 81 N -2.26 1.51 0.47 5.54 1.70 -0.99 -0.55 118.95 124.37 3ci2 s ARG 81 Ca 0.51 -1.13 -0.14 0.00 -0.47 0.00 0.00 55.73 54.50 3ci2 s ARG 81 Cb -0.16 0.49 -0.07 0.00 -0.57 0.00 0.00 34.95 34.63 3ci2 s ARG 81 CO 0.21 -0.63 0.89 0.08 -1.08 0.00 0.00 175.30 174.77 3ci2 s VAL 82 N -3.97 4.64 0.00 4.99 1.01 0.87 0.12 120.40 128.06 3ci2 s VAL 82 Ca 0.18 0.96 0.00 0.00 0.00 0.00 0.00 61.98 63.12 3ci2 s VAL 82 Cb -0.01 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3ci2 s VAL 82 CO 0.05 -0.62 0.00 0.61 0.00 0.00 0.00 175.10 175.15