#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 2.81 -1.15 3.23 0.00 -1.26 -4.64 118.16 117.15 3ci2 n LYS 21 Ca 0.00 -3.52 -0.23 0.00 0.00 0.00 0.00 58.31 54.55 3ci2 n LYS 21 Cb 0.00 -2.28 0.15 0.00 0.00 0.00 0.00 35.03 32.91 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 -0.69 3.09 -3.83 3.15 -2.24 -1.26 -4.82 114.28 107.68 3ci2 n THR 22 Ca 0.56 -1.89 -0.12 0.00 -2.27 0.00 0.00 64.05 60.34 3ci2 n THR 22 Cb 0.46 -0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 67.99 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 -3.10 0.42 -0.53 -0.78 -1.05 -1.26 0.31 118.70 112.70 3ci2 s GLU 23 Ca 0.53 -0.13 0.07 0.00 -0.15 0.00 0.00 54.97 55.30 3ci2 s GLU 23 Cb 0.45 0.18 0.28 0.00 -0.44 0.00 0.00 34.13 34.59 3ci2 s GLU 23 CO 0.09 -0.09 0.72 0.91 0.95 0.00 0.00 175.26 177.84 3ci2 n TRP 24 N 1.99 2.30 -0.12 4.83 8.01 -0.47 -4.87 117.44 129.12 3ci2 n TRP 24 Ca -0.19 -3.94 -0.13 0.00 -1.31 0.00 0.00 57.50 51.94 3ci2 n TRP 24 Cb 0.57 -0.48 -0.03 0.00 -2.01 0.00 0.00 31.31 29.36 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 3.79 0.82 0.00 -0.99 0.13 -1.95 -2.99 132.00 130.81 3ci2 h PRO 25 Ca 0.14 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3ci2 h PRO 25 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3ci2 h PRO 25 CO 0.70 1.04 0.00 -0.85 -0.23 0.00 0.00 178.00 178.66 3ci2 n GLU 26 N -4.19 0.01 -0.36 0.86 0.00 -1.26 -1.28 120.64 114.42 3ci2 n GLU 26 Ca -0.03 0.30 0.08 0.00 0.00 0.00 0.00 57.16 57.51 3ci2 n GLU 26 Cb 0.48 -1.50 0.24 0.00 0.00 0.00 0.00 31.44 30.66 3ci2 n GLU 26 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 3ci2 n LEU 27 N -1.48 3.68 -4.73 -1.84 -0.00 -1.13 -5.00 117.00 106.50 3ci2 n LEU 27 Ca 0.03 -2.37 -0.31 0.00 -0.00 0.00 0.00 56.01 53.36 3ci2 n LEU 27 Cb 0.12 -0.41 0.12 0.00 -0.00 0.00 0.00 43.42 43.25 3ci2 n LEU 27 CO 0.10 0.75 0.68 -0.69 -0.00 0.00 0.00 177.39 178.23 3ci2 s VAL 28 N -1.68 2.93 0.00 1.47 1.01 -0.40 -3.27 120.40 120.46 3ci2 s VAL 28 Ca 0.36 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.64 3ci2 s VAL 28 Cb 0.24 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.92 3ci2 s VAL 28 CO 0.17 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 175.49 3ci2 n GLY 29 N -0.90 2.50 3.86 4.51 0.00 -0.15 -4.92 105.19 110.09 3ci2 n GLY 29 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.37 2.66 0.40 1.61 1.02 -1.20 -4.70 119.74 119.16 3ci2 s LYS 30 Ca 0.00 -1.37 -0.11 0.00 0.02 0.00 0.00 55.97 54.50 3ci2 s LYS 30 Cb 0.00 -2.44 -0.07 0.00 -0.52 0.00 0.00 37.83 34.80 3ci2 s LYS 30 CO 0.00 0.00 0.78 -1.54 -0.92 0.00 0.00 175.35 173.67 3ci2 s SER 31 N -4.04 6.56 0.13 2.83 1.04 -1.26 0.46 113.70 119.43 3ci2 s SER 31 Ca 0.43 1.18 -0.30 0.00 0.48 0.00 0.00 55.95 57.74 3ci2 s SER 31 Cb -0.05 -2.34 -0.06 0.00 0.10 0.00 0.00 66.02 63.67 3ci2 s SER 31 CO 0.27 -0.39 1.57 1.62 0.98 0.00 0.00 173.24 177.29 3ci2 h VAL 32 N 1.17 0.10 -0.90 5.02 3.04 -0.65 0.20 116.25 124.23 3ci2 h VAL 32 Ca -0.47 0.00 0.17 0.00 -1.01 0.00 0.00 66.70 65.39 3ci2 h VAL 32 Cb 1.19 0.10 -0.07 0.00 -2.01 0.00 0.00 31.29 30.49 3ci2 h VAL 32 CO 0.64 0.00 0.58 -0.33 -1.01 0.00 0.00 177.57 177.45 3ci2 h GLU 33 N -0.48 0.56 0.03 4.17 4.39 -1.95 0.33 114.58 121.64 3ci2 h GLU 33 Ca 0.08 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 3ci2 h GLU 33 Cb 0.63 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 3ci2 h GLU 33 CO -0.45 0.37 -0.02 1.49 -1.16 0.00 0.00 179.01 179.25 3ci2 h GLU 34 N 0.58 -0.04 -0.61 2.33 4.22 -1.62 0.32 114.58 119.75 3ci2 h GLU 34 Ca 0.47 0.00 0.12 0.00 0.08 0.00 0.00 59.36 60.03 3ci2 h GLU 34 Cb 0.91 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 30.05 3ci2 h GLU 34 CO -0.21 0.44 -0.24 0.00 -2.18 0.00 0.00 179.01 176.82 3ci2 h ALA 35 N 0.38 0.21 0.08 2.92 0.00 0.11 0.18 119.26 123.15 3ci2 h ALA 35 Ca -0.00 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3ci2 h ALA 35 Cb 0.50 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3ci2 h ALA 35 CO 0.01 -0.54 -0.25 0.87 0.00 0.00 0.00 179.25 179.34 3ci2 h LYS 36 N -0.08 -0.42 -0.91 0.00 1.57 -0.21 0.34 116.57 116.86 3ci2 h LYS 36 Ca 0.28 0.03 0.21 0.00 -1.87 0.00 0.00 60.65 59.29 3ci2 h LYS 36 Cb 0.51 0.10 -0.12 0.00 0.08 0.00 0.00 32.23 32.80 3ci2 h LYS 36 CO -0.67 -0.28 0.45 -0.22 -0.57 0.00 0.00 179.45 178.16 3ci2 h LYS 37 N -0.44 0.48 0.22 3.15 3.11 0.20 0.34 116.57 123.63 3ci2 h LYS 37 Ca 0.04 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 3ci2 h LYS 37 Cb 0.48 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.60 3ci2 h LYS 37 CO -0.17 0.32 -0.11 0.28 -2.81 0.00 0.00 179.45 176.97 3ci2 h VAL 38 N 0.50 0.85 0.19 2.00 2.07 0.55 -2.49 116.25 119.91 3ci2 h VAL 38 Ca 0.56 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3ci2 h VAL 38 Cb 1.00 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3ci2 h VAL 38 CO -0.48 0.15 -0.09 0.40 0.02 0.00 0.00 177.57 177.57 3ci2 h ILE 39 N -0.68 0.82 -0.57 4.57 2.04 0.78 0.67 117.51 125.15 3ci2 h ILE 39 Ca -0.03 -0.03 0.16 0.00 1.00 0.00 0.00 64.86 65.96 3ci2 h ILE 39 Cb 0.47 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3ci2 h ILE 39 CO 0.05 0.01 0.49 -0.07 0.00 0.00 0.00 178.15 178.63 3ci2 h LEU 40 N -0.27 0.00 -1.45 1.44 4.07 -0.49 0.44 115.31 119.05 3ci2 h LEU 40 Ca -0.03 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.90 3ci2 h LEU 40 Cb 0.21 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 3ci2 h LEU 40 CO 0.04 0.00 -0.17 -0.61 -1.08 0.00 0.00 178.44 176.62 3ci2 h GLN 41 N 0.00 0.00 0.00 1.13 5.75 0.82 -2.76 115.11 120.06 3ci2 h GLN 41 Ca 0.27 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.53 3ci2 h GLN 41 Cb 1.25 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.76 3ci2 h GLN 41 CO -0.00 0.17 -1.55 -3.47 -2.65 0.00 0.00 178.83 171.33 3ci2 n ASP 42 N -3.43 1.90 -3.82 -0.69 2.03 0.12 -4.73 116.55 107.93 3ci2 n ASP 42 Ca -0.01 0.41 -0.30 0.00 0.52 0.00 0.00 54.79 55.41 3ci2 n ASP 42 Cb 0.35 -0.86 -0.09 0.00 -0.72 0.00 0.00 41.12 39.80 3ci2 n ASP 42 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 3ci2 n LYS 43 N -4.40 2.37 -0.07 -0.67 4.81 0.61 -4.98 118.16 115.82 3ci2 n LYS 43 Ca -0.33 -4.55 0.04 0.00 -0.87 0.00 0.00 58.31 52.60 3ci2 n LYS 43 Cb 0.66 -2.32 0.07 0.00 0.02 0.00 0.00 35.03 33.46 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 1.68 -0.02 0.00 1.64 -0.02 -1.04 0.38 135.00 137.63 3ci2 n PRO 44 Ca 0.24 0.32 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 3ci2 n PRO 44 Cb 0.37 -0.51 0.76 0.00 -0.02 0.00 0.00 33.50 34.10 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 -3.98 0.86 -1.55 -0.52 -0.00 -1.26 -4.84 120.64 109.35 3ci2 n GLU 45 Ca 0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 57.16 57.08 3ci2 n GLU 45 Cb 0.18 -1.46 -0.09 0.00 -0.00 0.00 0.00 31.44 30.06 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 -0.96 0.39 -1.21 -1.84 0.00 0.16 -4.77 120.51 112.28 3ci2 n ALA 46 Ca 0.19 -1.47 -0.36 0.00 0.00 0.00 0.00 53.44 51.81 3ci2 n ALA 46 Cb 0.09 -3.15 -0.03 0.00 0.00 0.00 0.00 19.45 16.36 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 8.29 3.27 -2.42 0.00 6.02 0.24 -4.77 117.38 128.01 3ci2 n GLN 47 Ca 0.47 -2.06 -0.40 0.00 -0.01 0.00 0.00 57.00 55.01 3ci2 n GLN 47 Cb 0.41 -2.75 -0.04 0.00 1.02 0.00 0.00 30.24 28.88 3ci2 n GLN 47 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3ci2 s ILE 48 N 2.55 3.39 0.49 5.09 1.01 -1.26 -4.16 121.20 128.30 3ci2 s ILE 48 Ca 0.62 1.34 0.04 0.00 0.00 0.00 0.00 60.65 62.66 3ci2 s ILE 48 Cb 0.16 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 3ci2 s ILE 48 CO -0.05 0.28 0.15 -0.63 0.00 0.00 0.00 174.94 174.69 3ci2 s ILE 49 N -1.23 1.64 -0.32 2.92 -1.09 -1.26 -4.92 121.20 116.94 3ci2 s ILE 49 Ca 0.47 -1.79 -0.11 0.00 -2.23 0.00 0.00 60.65 56.99 3ci2 s ILE 49 Cb -0.32 -2.43 -0.02 0.00 -1.58 0.00 0.00 42.46 38.12 3ci2 s ILE 49 CO 0.41 0.00 0.18 -0.69 -1.23 0.00 0.00 174.94 173.61 3ci2 s VAL 50 N -2.77 4.89 -0.45 2.92 1.01 -1.26 -4.18 120.40 120.56 3ci2 s VAL 50 Ca 0.24 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3ci2 s VAL 50 Cb 0.02 -3.48 0.13 0.00 0.00 0.00 0.00 36.38 33.05 3ci2 s VAL 50 CO 0.14 0.07 0.21 -0.76 0.00 0.00 0.00 175.10 174.75 3ci2 s LEU 51 N 1.66 3.69 0.09 3.92 1.43 -1.12 -5.03 118.68 123.34 3ci2 s LEU 51 Ca 0.05 -2.66 -0.35 0.00 -1.03 0.00 0.00 54.13 50.15 3ci2 s LEU 51 Cb -0.17 -1.38 -0.14 0.00 0.03 0.00 0.00 46.19 44.53 3ci2 s LEU 51 CO 0.08 -0.28 1.60 -2.65 0.23 0.00 0.00 176.35 175.33 3ci2 n PRO 52 N 3.54 1.98 -1.58 1.29 -0.02 -1.26 -2.07 135.00 136.88 3ci2 n PRO 52 Ca 0.05 0.72 -0.58 0.00 -2.02 0.00 0.00 63.50 61.67 3ci2 n PRO 52 Cb 0.35 -2.48 -0.08 0.00 -0.02 0.00 0.00 33.50 31.28 3ci2 n PRO 52 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3ci2 n VAL 53 N 3.63 0.03 0.00 -1.45 0.31 0.33 -0.45 118.33 120.73 3ci2 n VAL 53 Ca 0.18 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 3ci2 n VAL 53 Cb 0.27 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 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 2.36 3.05 2.85 2.92 0.00 -1.26 -4.92 105.19 110.19 3ci2 n GLY 54 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.28 1.68 -1.52 2.61 -1.04 0.40 -4.86 114.28 110.27 3ci2 n THR 55 Ca 0.00 -1.12 -0.51 0.00 -2.04 0.00 0.00 64.05 60.38 3ci2 n THR 55 Cb 0.00 -2.05 -0.07 0.00 -1.82 0.00 0.00 70.33 66.40 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 4.95 0.26 -3.46 12.58 2.08 -1.26 -4.94 119.36 129.56 3ci2 n ILE 56 Ca 0.37 -0.21 -0.20 0.00 0.56 0.00 0.00 62.75 63.28 3ci2 n ILE 56 Cb 0.19 -1.61 -0.02 0.00 -0.75 0.00 0.00 39.64 37.45 3ci2 n ILE 56 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 3ci2 s VAL 57 N 6.30 3.25 0.11 1.39 -7.23 -1.26 -5.13 120.40 117.83 3ci2 s VAL 57 Ca 1.06 -1.19 0.01 0.00 -1.81 0.00 0.00 61.98 60.04 3ci2 s VAL 57 Cb -0.87 -3.13 0.02 0.00 0.56 0.00 0.00 36.38 32.97 3ci2 s VAL 57 CO 0.52 -0.07 0.15 0.41 -0.31 0.00 0.00 175.10 175.80 3ci2 n THR 58 N -1.60 0.00 -0.24 5.32 -1.04 -1.26 -4.98 114.28 110.47 3ci2 n THR 58 Ca 0.03 -0.31 -0.03 0.00 -2.04 0.00 0.00 64.05 61.70 3ci2 n THR 58 Cb 0.60 -1.08 0.20 0.00 -1.82 0.00 0.00 70.33 68.23 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 -1.26 2.80 -2.26 -2.82 1.56 -1.26 -4.87 117.12 109.00 3ci2 n MET 59 Ca 0.03 -1.91 -0.27 0.00 -0.27 0.00 0.00 57.70 55.28 3ci2 n MET 59 Cb 0.10 -1.88 0.04 0.00 2.15 0.00 0.00 33.22 33.64 3ci2 n MET 59 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 3ci2 s GLU 60 N -2.06 2.70 0.03 2.12 4.04 -1.26 -5.10 118.70 119.18 3ci2 s GLU 60 Ca 0.34 -0.00 -0.08 0.00 0.04 0.00 0.00 54.97 55.27 3ci2 s GLU 60 Cb 0.27 -2.20 -0.00 0.00 0.02 0.00 0.00 34.13 32.22 3ci2 s GLU 60 CO 0.09 -0.91 0.16 -0.47 -1.84 0.00 0.00 175.26 172.29 3ci2 s TYR 61 N -3.12 0.10 -0.67 4.83 5.04 -1.26 -5.03 117.35 117.23 3ci2 s TYR 61 Ca 0.56 -0.32 0.04 0.00 -2.44 0.00 0.00 57.07 54.91 3ci2 s TYR 61 Cb -0.11 -0.07 0.32 0.00 0.35 0.00 0.00 41.96 42.46 3ci2 s TYR 61 CO 0.46 -0.39 1.06 0.54 -1.34 0.00 0.00 175.55 175.88 3ci2 n ARG 62 N 0.81 3.49 -0.32 4.97 5.12 -1.26 -4.91 116.66 124.55 3ci2 n ARG 62 Ca -0.19 -4.80 0.35 0.00 -1.93 0.00 0.00 57.85 51.28 3ci2 n ARG 62 Cb 0.58 -2.29 0.68 0.00 -1.16 0.00 0.00 32.46 30.27 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 2.92 0.18 -0.22 0.55 6.09 -1.95 0.89 117.51 125.97 3ci2 h ILE 63 Ca 0.20 0.00 0.06 0.00 -1.37 0.00 0.00 64.86 63.75 3ci2 h ILE 63 Cb 0.51 0.23 -0.01 0.00 0.47 0.00 0.00 36.82 38.01 3ci2 h ILE 63 CO 0.89 0.00 0.29 -2.24 -3.07 0.00 0.00 178.15 174.03 3ci2 h ASP 64 N 0.00 0.00 -3.73 2.19 2.03 -1.92 -3.44 116.42 111.55 3ci2 h ASP 64 Ca 0.57 0.00 -0.39 0.00 -0.73 0.00 0.00 57.03 56.49 3ci2 h ASP 64 Cb 2.65 0.00 -0.15 0.00 -0.83 0.00 0.00 39.33 40.99 3ci2 h ASP 64 CO -0.01 0.00 -0.73 -0.60 -1.03 0.00 0.00 179.24 176.87 3ci2 s ARG 65 N -4.51 1.14 -0.09 4.15 3.52 0.31 0.83 118.95 124.31 3ci2 s ARG 65 Ca -0.04 -1.45 -0.04 0.00 -0.13 0.00 0.00 55.73 54.07 3ci2 s ARG 65 Cb 0.14 -0.86 -0.04 0.00 -1.56 0.00 0.00 34.95 32.64 3ci2 s ARG 65 CO 0.49 0.13 0.07 0.08 -0.81 0.00 0.00 175.30 175.26 3ci2 s VAL 66 N -2.93 4.85 -0.34 7.11 1.01 -1.26 -4.27 120.40 124.56 3ci2 s VAL 66 Ca 0.17 -0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.78 3ci2 s VAL 66 Cb -0.00 -3.10 0.02 0.00 0.00 0.00 0.00 36.38 33.30 3ci2 s VAL 66 CO 0.03 0.57 1.03 -0.60 0.00 0.00 0.00 175.10 176.13 3ci2 s ARG 67 N -1.08 3.99 -0.74 2.72 6.06 -0.19 -3.99 118.95 125.72 3ci2 s ARG 67 Ca 0.16 0.89 -0.01 0.00 -2.50 0.00 0.00 55.73 54.27 3ci2 s ARG 67 Cb -0.12 -3.76 0.18 0.00 0.06 0.00 0.00 34.95 31.31 3ci2 s ARG 67 CO 0.05 -0.93 0.57 -0.51 -2.50 0.00 0.00 175.30 171.98 3ci2 s LEU 68 N 3.63 5.23 -0.54 -0.88 1.02 -1.26 -2.89 118.68 122.99 3ci2 s LEU 68 Ca 0.43 -3.37 -0.28 0.00 0.02 0.00 0.00 54.13 50.93 3ci2 s LEU 68 Cb -0.12 -1.83 0.00 0.00 0.02 0.00 0.00 46.19 44.27 3ci2 s LEU 68 CO 0.17 -0.24 1.53 -0.36 0.02 0.00 0.00 176.35 177.47 3ci2 s PHE 69 N -0.82 2.13 0.47 0.29 0.08 -1.25 -2.78 117.98 116.10 3ci2 s PHE 69 Ca 0.22 0.53 0.08 0.00 0.12 0.00 0.00 56.93 57.88 3ci2 s PHE 69 Cb -0.13 -4.32 0.03 0.00 -0.57 0.00 0.00 43.02 38.03 3ci2 s PHE 69 CO -0.09 -2.14 0.64 0.14 -0.10 0.00 0.00 175.22 173.67 3ci2 s VAL 70 N 6.62 2.76 0.00 -0.44 -7.23 -0.88 -2.71 120.40 118.52 3ci2 s VAL 70 Ca 0.57 -0.98 0.00 0.00 -1.81 0.00 0.00 61.98 59.77 3ci2 s VAL 70 Cb -0.12 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 34.03 3ci2 s VAL 70 CO 0.25 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 174.14 3ci2 n ASP 71 N -1.99 0.00 -0.81 4.85 5.75 0.17 0.12 116.55 124.64 3ci2 n ASP 71 Ca 0.10 0.00 0.08 0.00 -0.01 0.00 0.00 54.79 54.96 3ci2 n ASP 71 Cb 0.60 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.90 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 2.03 -2.55 0.11 4.81 -1.26 -3.64 118.16 117.66 3ci2 n LYS 72 Ca 0.00 -1.59 0.00 0.00 -0.87 0.00 0.00 58.31 55.85 3ci2 n LYS 72 Cb 0.00 -1.36 0.05 0.00 0.02 0.00 0.00 35.03 33.74 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 0.79 1.07 -0.95 3.14 4.77 -1.26 -5.02 117.00 119.55 3ci2 n LEU 73 Ca 0.15 -2.84 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 3ci2 n LEU 73 Cb 0.38 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 3ci2 n LEU 73 CO 0.11 1.03 0.00 -0.90 -1.33 0.00 0.00 177.39 176.29 3ci2 n ASP 74 N -0.50 -0.04 -4.76 -1.43 5.75 -1.24 -4.89 116.55 109.43 3ci2 n ASP 74 Ca 0.03 0.02 -0.34 0.00 -0.01 0.00 0.00 54.79 54.49 3ci2 n ASP 74 Cb 0.86 -0.46 -0.08 0.00 -1.03 0.00 0.00 41.12 40.41 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 -0.92 5.63 -0.18 -1.12 0.01 -1.26 0.15 114.94 117.25 3ci2 s ASN 75 Ca 0.00 0.20 -0.29 0.00 -0.71 0.00 0.00 52.86 52.07 3ci2 s ASN 75 Cb 0.00 -1.65 -0.05 0.00 0.41 0.00 0.00 41.25 39.97 3ci2 s ASN 75 CO 0.00 0.34 1.98 -0.63 -1.51 0.00 0.00 177.10 177.28 3ci2 s ILE 76 N -1.04 3.22 -0.19 0.60 1.01 0.17 0.44 121.20 125.41 3ci2 s ILE 76 Ca 0.18 0.24 -0.21 0.00 0.00 0.00 0.00 60.65 60.86 3ci2 s ILE 76 Cb -0.12 -3.25 -0.18 0.00 0.01 0.00 0.00 42.46 38.93 3ci2 s ILE 76 CO 0.07 -0.12 0.23 0.00 0.00 0.00 0.00 174.94 175.12 3ci2 h ALA 77 N 12.90 0.20 -2.55 9.38 0.00 -1.78 -0.38 119.26 137.02 3ci2 h ALA 77 Ca -0.40 -1.02 -0.61 0.00 0.00 0.00 0.00 54.91 52.87 3ci2 h ALA 77 Cb 1.21 0.61 -0.14 0.00 0.00 0.00 0.00 17.79 19.47 3ci2 h ALA 77 CO 0.97 0.58 -0.75 -1.14 0.00 0.00 0.00 179.25 178.92 3ci2 s GLN 78 N -2.31 1.80 0.33 0.00 0.74 -1.13 -4.93 119.66 114.15 3ci2 s GLN 78 Ca -0.25 -1.58 -0.29 0.00 0.05 0.00 0.00 55.36 53.29 3ci2 s GLN 78 Cb 0.04 -1.91 -0.11 0.00 1.10 0.00 0.00 33.01 32.14 3ci2 s GLN 78 CO 0.55 0.37 1.42 0.08 -0.55 0.00 0.00 175.29 177.16 3ci2 s VAL 79 N -2.17 2.40 0.44 1.34 1.01 -1.26 -4.71 120.40 117.45 3ci2 s VAL 79 Ca 0.27 0.38 -0.08 0.00 0.00 0.00 0.00 61.98 62.55 3ci2 s VAL 79 Cb -0.06 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 3ci2 s VAL 79 CO 0.15 0.08 0.78 -2.84 0.00 0.00 0.00 175.10 173.27 3ci2 s PRO 80 N -1.53 3.67 -0.03 2.72 0.02 -1.26 -4.85 135.00 133.75 3ci2 s PRO 80 Ca 0.54 0.35 -0.22 0.00 0.02 0.00 0.00 61.00 61.68 3ci2 s PRO 80 Cb -0.43 -2.38 0.05 0.00 0.02 0.00 0.00 34.50 31.75 3ci2 s PRO 80 CO 0.55 -0.12 0.48 0.50 -0.33 0.00 0.00 177.00 178.08 3ci2 s ARG 81 N -4.26 0.86 -0.55 5.54 3.52 -1.14 -1.36 118.95 121.56 3ci2 s ARG 81 Ca 0.49 0.00 -0.22 0.00 -0.13 0.00 0.00 55.73 55.88 3ci2 s ARG 81 Cb -0.10 0.40 0.05 0.00 -1.56 0.00 0.00 34.95 33.73 3ci2 s ARG 81 CO 0.38 -0.26 0.84 0.08 -0.81 0.00 0.00 175.30 175.53 3ci2 s VAL 82 N -1.33 4.54 0.00 7.11 1.01 0.15 -1.02 120.40 130.87 3ci2 s VAL 82 Ca -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3ci2 s VAL 82 Cb -0.03 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 31.88 3ci2 s VAL 82 CO 0.07 -1.05 0.00 0.61 0.00 0.00 0.00 175.10 174.73