#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 -0.05 -0.18 1.96 2.20 -1.26 -5.01 119.74 117.40 3ci2 s LYS 21 Ca 0.00 0.30 0.17 0.00 -0.36 0.00 0.00 55.97 56.07 3ci2 s LYS 21 Cb 0.00 -0.74 0.46 0.00 -1.51 0.00 0.00 37.83 36.04 3ci2 s LYS 21 CO 0.00 -0.39 1.35 0.25 -0.36 0.00 0.00 175.35 176.20 3ci2 n THR 22 N 5.29 2.21 -3.76 3.43 -2.24 -1.26 -4.79 114.28 113.16 3ci2 n THR 22 Ca -0.04 -2.09 -0.13 0.00 -2.27 0.00 0.00 64.05 59.52 3ci2 n THR 22 Cb 0.50 -0.26 -0.14 0.00 -2.10 0.00 0.00 70.33 68.33 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 -2.89 0.12 -0.65 -0.78 1.03 -1.26 -1.14 118.70 113.14 3ci2 s GLU 23 Ca 0.40 0.34 0.05 0.00 0.03 0.00 0.00 54.97 55.79 3ci2 s GLU 23 Cb 0.33 -0.11 0.27 0.00 -0.80 0.00 0.00 34.13 33.82 3ci2 s GLU 23 CO 0.06 -0.13 0.83 0.91 -1.33 0.00 0.00 175.26 175.60 3ci2 n TRP 24 N 3.91 3.70 -0.12 4.83 8.01 0.10 -4.89 117.44 132.98 3ci2 n TRP 24 Ca -0.23 -4.05 -0.00 0.00 -1.31 0.00 0.00 57.50 51.91 3ci2 n TRP 24 Cb 0.54 -0.58 0.27 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 3.96 0.78 -0.51 -0.99 0.13 -1.94 -1.96 132.00 131.47 3ci2 h PRO 25 Ca 0.19 -0.10 0.15 0.00 -0.87 0.00 0.00 66.00 65.37 3ci2 h PRO 25 Cb 0.62 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 3ci2 h PRO 25 CO 0.86 0.62 0.62 1.05 -0.23 0.00 0.00 178.00 180.92 3ci2 h GLU 26 N 0.78 0.00 0.03 0.86 9.09 -1.98 0.68 114.58 124.04 3ci2 h GLU 26 Ca 0.19 0.00 -0.23 0.00 0.05 0.00 0.00 59.36 59.38 3ci2 h GLU 26 Cb 0.10 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.20 3ci2 h GLU 26 CO -0.02 0.00 -0.99 -0.07 0.05 0.00 0.00 179.01 177.98 3ci2 h LEU 27 N 0.00 0.38 -9.24 3.06 3.38 -1.78 -3.46 115.31 107.65 3ci2 h LEU 27 Ca 0.24 -0.33 -0.67 0.00 0.09 0.00 0.00 57.88 57.21 3ci2 h LEU 27 Cb 1.49 -0.12 0.08 0.00 0.09 0.00 0.00 40.66 42.20 3ci2 h LEU 27 CO -0.00 1.16 0.09 0.52 0.09 0.00 0.00 178.44 180.30 3ci2 n VAL 28 N -3.65 1.07 0.00 1.22 0.31 0.23 -1.53 118.33 115.98 3ci2 n VAL 28 Ca -0.06 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 3ci2 n VAL 28 Cb 0.87 -0.59 0.00 0.00 -0.91 0.00 0.00 33.84 33.21 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 1.86 1.93 3.73 2.92 0.00 -1.04 -4.97 105.19 109.62 3ci2 n GLY 29 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.99 2.14 0.40 1.61 1.02 -0.58 -4.80 119.74 118.54 3ci2 s LYS 30 Ca 0.00 -2.30 -0.07 0.00 0.02 0.00 0.00 55.97 53.61 3ci2 s LYS 30 Cb 0.00 -1.59 -0.05 0.00 -0.52 0.00 0.00 37.83 35.67 3ci2 s LYS 30 CO 0.00 -0.28 0.72 -1.54 -0.92 0.00 0.00 175.35 173.33 3ci2 s SER 31 N -3.85 6.42 0.19 2.83 1.04 -1.26 0.72 113.70 119.79 3ci2 s SER 31 Ca 0.15 0.97 -0.12 0.00 0.48 0.00 0.00 55.95 57.43 3ci2 s SER 31 Cb 0.04 -2.26 0.20 0.00 0.10 0.00 0.00 66.02 64.10 3ci2 s SER 31 CO 0.08 -0.41 1.74 1.62 0.98 0.00 0.00 173.24 177.25 3ci2 h VAL 32 N 0.88 0.78 -0.32 5.02 3.04 -1.26 -0.98 116.25 123.41 3ci2 h VAL 32 Ca -0.47 -0.11 0.06 0.00 -1.01 0.00 0.00 66.70 65.17 3ci2 h VAL 32 Cb 1.19 0.43 -0.05 0.00 -2.01 0.00 0.00 31.29 30.85 3ci2 h VAL 32 CO 0.64 0.06 -0.03 -0.33 -1.01 0.00 0.00 177.57 176.90 3ci2 h GLU 33 N 0.32 0.06 -0.32 4.17 4.39 -1.96 0.47 114.58 121.71 3ci2 h GLU 33 Ca 0.25 -0.00 0.07 0.00 0.34 0.00 0.00 59.36 60.02 3ci2 h GLU 33 Cb 0.30 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.86 3ci2 h GLU 33 CO -0.28 0.04 -0.28 1.49 -1.16 0.00 0.00 179.01 178.82 3ci2 h GLU 34 N 0.06 -0.24 0.05 2.33 4.22 -1.87 -0.86 114.58 118.27 3ci2 h GLU 34 Ca 0.16 0.02 0.03 0.00 0.08 0.00 0.00 59.36 59.64 3ci2 h GLU 34 Cb 0.22 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 3ci2 h GLU 34 CO -0.28 -0.16 -0.29 0.00 -2.18 0.00 0.00 179.01 176.10 3ci2 h ALA 35 N 0.81 -0.45 -0.62 2.92 0.00 0.23 -0.91 119.26 121.23 3ci2 h ALA 35 Ca 0.16 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.16 3ci2 h ALA 35 Cb 0.50 0.50 -0.12 0.00 0.00 0.00 0.00 17.79 18.67 3ci2 h ALA 35 CO -0.46 -0.82 -0.25 0.87 0.00 0.00 0.00 179.25 178.59 3ci2 h LYS 36 N -0.47 -0.08 0.51 0.00 1.57 0.61 0.44 116.57 119.13 3ci2 h LYS 36 Ca 0.05 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3ci2 h LYS 36 Cb 0.53 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3ci2 h LYS 36 CO -0.22 -0.06 -0.39 -0.22 -0.57 0.00 0.00 179.45 178.00 3ci2 h LYS 37 N -0.09 -0.85 -0.52 3.15 3.64 -0.91 0.24 116.57 121.24 3ci2 h LYS 37 Ca 0.28 0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.79 3ci2 h LYS 37 Cb 0.52 0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 3ci2 h LYS 37 CO -0.68 -0.57 0.19 0.28 -2.27 0.00 0.00 179.45 176.40 3ci2 h VAL 38 N -0.88 0.82 -0.03 2.00 2.07 0.55 0.23 116.25 121.00 3ci2 h VAL 38 Ca -0.05 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3ci2 h VAL 38 Cb 0.75 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 3ci2 h VAL 38 CO 0.00 0.07 -0.00 0.40 0.02 0.00 0.00 177.57 178.06 3ci2 h ILE 39 N 0.37 1.26 -1.00 4.57 2.04 -0.02 0.24 117.51 124.97 3ci2 h ILE 39 Ca 0.25 -0.80 0.08 0.00 1.00 0.00 0.00 64.86 65.39 3ci2 h ILE 39 Cb 0.27 1.74 -0.07 0.00 -0.74 0.00 0.00 36.82 38.02 3ci2 h ILE 39 CO -0.26 0.21 0.64 -0.07 0.00 0.00 0.00 178.15 178.68 3ci2 h LEU 40 N -0.25 1.00 -1.27 1.44 3.38 -0.24 1.23 115.31 120.60 3ci2 h LEU 40 Ca 0.01 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3ci2 h LEU 40 Cb 0.35 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3ci2 h LEU 40 CO 0.00 0.61 0.53 1.56 0.09 0.00 0.00 178.44 181.23 3ci2 h GLN 41 N 1.11 0.87 -0.68 1.13 4.20 0.42 -2.45 115.11 119.71 3ci2 h GLN 41 Ca 0.45 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 59.04 3ci2 h GLN 41 Cb 0.27 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 3ci2 h GLN 41 CO -0.20 0.57 0.09 -3.47 -0.67 0.00 0.00 178.83 175.16 3ci2 n ASP 42 N -4.48 5.09 -4.41 1.46 2.03 0.19 -5.00 116.55 111.43 3ci2 n ASP 42 Ca 0.12 -2.95 -0.44 0.00 0.52 0.00 0.00 54.79 52.04 3ci2 n ASP 42 Cb 0.20 -0.69 -0.08 0.00 -0.72 0.00 0.00 41.12 39.83 3ci2 n ASP 42 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3ci2 s LYS 43 N -2.68 3.01 -0.09 -0.67 2.20 0.37 -4.84 119.74 117.04 3ci2 s LYS 43 Ca 0.50 -1.20 -0.06 0.00 -0.36 0.00 0.00 55.97 54.85 3ci2 s LYS 43 Cb 0.39 -4.11 -0.02 0.00 -1.51 0.00 0.00 37.83 32.58 3ci2 s LYS 43 CO 0.14 -1.03 -0.12 -2.30 -0.36 0.00 0.00 175.35 171.68 3ci2 n PRO 44 N 5.41 0.28 0.03 4.03 -0.02 -1.26 -4.77 135.00 138.69 3ci2 n PRO 44 Ca -0.11 0.40 -0.02 0.00 -2.02 0.00 0.00 63.50 61.75 3ci2 n PRO 44 Cb 0.44 -1.31 -0.09 0.00 -0.02 0.00 0.00 33.50 32.52 3ci2 n PRO 44 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3ci2 h GLU 45 N -0.62 0.00 -4.64 -0.52 3.07 -1.87 -3.48 114.58 106.52 3ci2 h GLU 45 Ca 0.00 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.38 3ci2 h GLU 45 Cb 0.34 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 28.35 3ci2 h GLU 45 CO 0.00 0.39 1.52 0.00 -1.40 0.00 0.00 179.01 179.52 3ci2 n ALA 46 N -2.42 1.48 -2.56 3.43 0.00 -1.26 -3.73 120.51 115.44 3ci2 n ALA 46 Ca -0.10 -2.25 -0.42 0.00 0.00 0.00 0.00 53.44 50.67 3ci2 n ALA 46 Cb 0.89 -3.45 -0.06 0.00 0.00 0.00 0.00 19.45 16.83 3ci2 n ALA 46 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3ci2 s GLN 47 N 6.10 3.59 0.34 0.00 2.00 0.30 -4.47 119.66 127.51 3ci2 s GLN 47 Ca 0.52 0.02 -0.26 0.00 -2.00 0.00 0.00 55.36 53.64 3ci2 s GLN 47 Cb 0.12 -3.85 -0.10 0.00 0.80 0.00 0.00 33.01 29.98 3ci2 s GLN 47 CO 0.22 -0.87 0.98 0.42 -0.50 0.00 0.00 175.29 175.54 3ci2 s ILE 48 N 2.91 4.05 0.00 -2.34 1.09 -1.26 -0.06 121.20 125.59 3ci2 s ILE 48 Ca 0.27 1.67 0.00 0.00 -1.10 0.00 0.00 60.65 61.49 3ci2 s ILE 48 Cb -0.14 -3.91 -0.00 0.00 -1.06 0.00 0.00 42.46 37.34 3ci2 s ILE 48 CO 0.17 0.11 -0.02 -0.63 -0.10 0.00 0.00 174.94 174.48 3ci2 s ILE 49 N -1.61 0.10 0.11 2.92 -1.09 -1.07 -4.86 121.20 115.69 3ci2 s ILE 49 Ca 0.52 -0.23 -0.19 0.00 -2.23 0.00 0.00 60.65 58.53 3ci2 s ILE 49 Cb -0.20 -0.12 -0.07 0.00 -1.58 0.00 0.00 42.46 40.49 3ci2 s ILE 49 CO 0.25 -0.09 0.59 0.54 -1.23 0.00 0.00 174.94 175.01 3ci2 s VAL 50 N -0.32 4.72 -0.06 2.92 0.11 -1.26 -3.14 120.40 123.37 3ci2 s VAL 50 Ca -0.03 1.17 0.01 0.00 -2.93 0.00 0.00 61.98 60.20 3ci2 s VAL 50 Cb -0.02 -3.87 0.02 0.00 -1.53 0.00 0.00 36.38 30.97 3ci2 s VAL 50 CO -0.00 0.45 -0.07 -0.76 -3.33 0.00 0.00 175.10 171.38 3ci2 s LEU 51 N -1.40 1.41 0.20 2.54 1.43 -0.45 -4.94 118.68 117.47 3ci2 s LEU 51 Ca 0.33 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.93 3ci2 s LEU 51 Cb -0.18 -0.62 -0.08 0.00 0.03 0.00 0.00 46.19 45.34 3ci2 s LEU 51 CO 0.20 -0.03 1.17 -2.16 0.23 0.00 0.00 176.35 175.76 3ci2 s PRO 52 N 0.92 4.52 -0.24 1.29 0.04 -1.26 -1.01 135.00 139.27 3ci2 s PRO 52 Ca -0.11 1.85 -0.43 0.00 0.04 0.00 0.00 61.00 62.35 3ci2 s PRO 52 Cb -0.15 -3.24 -0.19 0.00 0.04 0.00 0.00 34.50 30.96 3ci2 s PRO 52 CO 0.01 -0.03 1.39 0.28 0.04 0.00 0.00 177.00 178.69 3ci2 n VAL 53 N 2.28 0.03 0.00 -0.36 0.31 0.20 -2.52 118.33 118.28 3ci2 n VAL 53 Ca 0.03 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3ci2 n VAL 53 Cb 0.45 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 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 2.94 3.16 3.53 2.92 0.00 -1.26 -5.03 105.19 111.44 3ci2 n GLY 54 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 3ci2 n GLY 54 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ci2 n THR 55 N -1.46 2.08 -2.58 2.61 -2.24 -1.05 -4.83 114.28 106.81 3ci2 n THR 55 Ca 0.00 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 3ci2 n THR 55 Cb 0.00 -0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 67.41 3ci2 n THR 55 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ci2 s ILE 56 N -1.32 4.55 0.00 2.28 -1.09 -1.26 -4.90 121.20 119.47 3ci2 s ILE 56 Ca 0.63 1.86 0.00 0.00 -2.23 0.00 0.00 60.65 60.91 3ci2 s ILE 56 Cb -0.62 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.06 3ci2 s ILE 56 CO 0.58 -0.11 0.00 1.33 -1.23 0.00 0.00 174.94 175.51 3ci2 n VAL 57 N 5.08 0.00 -2.73 2.92 0.24 -1.26 -5.06 118.33 117.52 3ci2 n VAL 57 Ca 0.12 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.99 3ci2 n VAL 57 Cb 0.46 -0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.57 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 0.00 4.29 -0.18 3.34 2.01 -1.26 -4.86 115.64 118.98 3ci2 s THR 58 Ca 0.00 0.70 -0.15 0.00 0.31 0.00 0.00 61.69 62.55 3ci2 s THR 58 Cb 0.00 -4.57 -0.06 0.00 0.01 0.00 0.00 72.50 67.88 3ci2 s THR 58 CO 0.00 -1.08 -0.26 0.23 -0.69 0.00 0.00 174.62 172.81 3ci2 n MET 59 N 7.69 0.51 0.00 4.92 0.00 -1.26 -4.98 117.12 124.01 3ci2 n MET 59 Ca 0.06 0.34 0.00 0.00 0.00 0.00 0.00 57.70 58.10 3ci2 n MET 59 Cb 0.48 -1.54 0.00 0.00 0.00 0.00 0.00 33.22 32.16 3ci2 n MET 59 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 175.97 175.12 3ci2 n GLU 60 N -4.49 3.45 -3.84 0.03 0.00 -1.26 -5.06 120.64 109.47 3ci2 n GLU 60 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.70 3ci2 n GLU 60 Cb 0.48 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.77 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 0.83 2.56 -0.14 -1.84 6.14 -1.26 -5.00 117.35 118.64 3ci2 s TYR 61 Ca 0.00 -2.55 -0.06 0.00 0.64 0.00 0.00 57.07 55.11 3ci2 s TYR 61 Cb 0.00 -2.27 -0.23 0.00 0.42 0.00 0.00 41.96 39.88 3ci2 s TYR 61 CO 0.00 -0.83 3.24 -2.13 0.64 0.00 0.00 175.55 176.47 3ci2 n ARG 62 N 3.93 1.93 -0.06 4.97 3.00 -1.26 -4.72 116.66 124.45 3ci2 n ARG 62 Ca 0.04 -1.00 0.00 0.00 -0.00 0.00 0.00 57.85 56.89 3ci2 n ARG 62 Cb 0.37 -2.02 0.00 0.00 0.00 0.00 0.00 32.46 30.81 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 2.67 0.95 -0.09 5.15 0.13 -1.26 -2.42 119.36 124.49 3ci2 n ILE 63 Ca 0.41 -0.06 -0.10 0.00 -1.10 0.00 0.00 62.75 61.90 3ci2 n ILE 63 Cb 0.76 -0.99 -0.15 0.00 -0.84 0.00 0.00 39.64 38.42 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 0.73 0.25 -4.31 9.51 5.68 -1.25 -4.66 116.55 122.49 3ci2 n ASP 64 Ca 0.00 0.05 -0.18 0.00 -0.50 0.00 0.00 54.79 54.16 3ci2 n ASP 64 Cb 0.42 0.75 -0.10 0.00 -1.14 0.00 0.00 41.12 41.05 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 -2.51 1.24 -0.19 0.11 3.52 -1.02 -0.54 118.95 119.57 3ci2 s ARG 65 Ca -0.11 -1.50 -0.05 0.00 -0.13 0.00 0.00 55.73 53.94 3ci2 s ARG 65 Cb 0.06 -1.04 -0.03 0.00 -1.56 0.00 0.00 34.95 32.38 3ci2 s ARG 65 CO 0.82 0.18 0.01 0.08 -0.81 0.00 0.00 175.30 175.58 3ci2 s VAL 66 N -2.79 4.20 -0.63 7.11 1.01 0.91 0.61 120.40 130.83 3ci2 s VAL 66 Ca 0.19 -0.23 -0.23 0.00 0.00 0.00 0.00 61.98 61.70 3ci2 s VAL 66 Cb -0.01 -2.89 0.06 0.00 0.00 0.00 0.00 36.38 33.53 3ci2 s VAL 66 CO 0.05 0.45 0.97 -0.60 0.00 0.00 0.00 175.10 175.97 3ci2 s ARG 67 N 0.68 3.19 -0.77 2.72 3.52 0.71 -2.60 118.95 126.40 3ci2 s ARG 67 Ca 0.01 -0.61 -0.11 0.00 -0.13 0.00 0.00 55.73 54.88 3ci2 s ARG 67 Cb -0.14 -4.16 0.20 0.00 -1.56 0.00 0.00 34.95 29.29 3ci2 s ARG 67 CO 0.02 -1.72 0.68 -0.51 -0.81 0.00 0.00 175.30 172.96 3ci2 s LEU 68 N 4.11 6.37 -0.50 -0.88 1.02 -1.19 -2.77 118.68 124.84 3ci2 s LEU 68 Ca 0.25 -2.71 -0.28 0.00 0.02 0.00 0.00 54.13 51.42 3ci2 s LEU 68 Cb -0.15 -2.12 0.00 0.00 0.02 0.00 0.00 46.19 43.94 3ci2 s LEU 68 CO 0.13 -0.53 1.57 -0.36 0.02 0.00 0.00 176.35 177.19 3ci2 s PHE 69 N 0.15 2.09 0.48 0.29 0.08 -1.26 -1.35 117.98 118.46 3ci2 s PHE 69 Ca 0.17 0.59 0.07 0.00 0.12 0.00 0.00 56.93 57.89 3ci2 s PHE 69 Cb -0.13 -4.27 0.01 0.00 -0.57 0.00 0.00 43.02 38.06 3ci2 s PHE 69 CO -0.07 -2.23 0.45 0.14 -0.10 0.00 0.00 175.22 173.41 3ci2 s VAL 70 N 6.70 2.30 0.00 -0.44 -7.23 -0.18 -2.28 120.40 119.27 3ci2 s VAL 70 Ca 0.62 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 3ci2 s VAL 70 Cb -0.14 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.17 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 -1.71 0.00 0.06 4.85 5.75 0.20 0.61 116.55 126.30 3ci2 n ASP 71 Ca 0.04 0.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.94 3ci2 n ASP 71 Cb 0.62 0.00 0.35 0.00 -1.03 0.00 0.00 41.12 41.06 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 0.20 -2.69 0.11 5.02 -1.26 -3.88 118.16 115.66 3ci2 n LYS 72 Ca 0.00 0.12 -0.13 0.00 -2.02 0.00 0.00 58.31 56.27 3ci2 n LYS 72 Cb 0.00 -1.68 0.02 0.00 -0.02 0.00 0.00 35.03 33.34 3ci2 n LYS 72 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 3ci2 n LEU 73 N -2.01 1.98 -1.49 -0.35 -0.00 -1.26 -4.97 117.00 108.90 3ci2 n LEU 73 Ca 0.05 -4.11 0.00 0.00 -0.00 0.00 0.00 56.01 51.95 3ci2 n LEU 73 Cb 0.41 0.29 0.00 0.00 -0.00 0.00 0.00 43.42 44.12 3ci2 n LEU 73 CO 0.32 1.75 0.00 -0.90 -0.00 0.00 0.00 177.39 178.57 3ci2 n ASP 74 N -0.10 -0.43 -4.89 1.45 5.75 -1.25 -4.86 116.55 112.23 3ci2 n ASP 74 Ca 0.16 0.22 -0.24 0.00 -0.01 0.00 0.00 54.79 54.91 3ci2 n ASP 74 Cb 0.77 -0.61 -0.04 0.00 -1.03 0.00 0.00 41.12 40.21 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 -1.22 5.95 -0.30 -1.12 0.02 -1.26 -0.69 114.94 116.32 3ci2 s ASN 75 Ca 0.00 -0.02 -0.29 0.00 -1.02 0.00 0.00 52.86 51.53 3ci2 s ASN 75 Cb 0.00 -1.67 0.01 0.00 0.02 0.00 0.00 41.25 39.61 3ci2 s ASN 75 CO 0.00 0.01 1.13 -0.63 0.02 0.00 0.00 177.10 177.64 3ci2 s ILE 76 N -1.87 4.42 -0.23 0.60 1.01 0.22 0.59 121.20 125.94 3ci2 s ILE 76 Ca 0.33 1.64 -0.14 0.00 0.00 0.00 0.00 60.65 62.48 3ci2 s ILE 76 Cb -0.10 -4.34 -0.18 0.00 0.01 0.00 0.00 42.46 37.86 3ci2 s ILE 76 CO 0.26 -0.45 -0.01 0.00 0.00 0.00 0.00 174.94 174.74 3ci2 n ALA 77 N 7.00 1.02 -2.60 9.38 0.00 -1.02 -2.51 120.51 131.78 3ci2 n ALA 77 Ca 0.13 -0.78 -0.23 0.00 0.00 0.00 0.00 53.44 52.55 3ci2 n ALA 77 Cb 0.47 -0.29 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.46 2.14 0.13 0.00 0.74 -0.97 -5.01 119.66 114.24 3ci2 s GLN 78 Ca -0.32 -1.49 -0.30 0.00 0.05 0.00 0.00 55.36 53.30 3ci2 s GLN 78 Cb 0.09 -2.07 -0.07 0.00 1.10 0.00 0.00 33.01 32.06 3ci2 s GLN 78 CO 0.59 0.36 1.24 0.08 -0.55 0.00 0.00 175.29 177.01 3ci2 s VAL 79 N -2.32 3.64 0.43 1.34 1.01 -1.26 -4.69 120.40 118.55 3ci2 s VAL 79 Ca 0.31 1.27 -0.25 0.00 0.00 0.00 0.00 61.98 63.31 3ci2 s VAL 79 Cb -0.06 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 3ci2 s VAL 79 CO 0.18 0.15 1.25 -2.84 0.00 0.00 0.00 175.10 173.84 3ci2 s PRO 80 N 0.44 3.84 0.02 2.72 0.02 -1.26 -4.83 135.00 135.95 3ci2 s PRO 80 Ca 0.57 2.01 -0.20 0.00 0.02 0.00 0.00 61.00 63.40 3ci2 s PRO 80 Cb -0.33 -2.60 0.04 0.00 0.02 0.00 0.00 34.50 31.63 3ci2 s PRO 80 CO 0.33 -0.55 0.45 -0.98 -0.33 0.00 0.00 177.00 175.91 3ci2 s ARG 81 N -2.43 0.90 -0.65 5.54 1.70 -1.12 0.00 118.95 122.89 3ci2 s ARG 81 Ca 0.60 -0.22 -0.26 0.00 -0.47 0.00 0.00 55.73 55.38 3ci2 s ARG 81 Cb -0.35 0.41 0.04 0.00 -0.57 0.00 0.00 34.95 34.48 3ci2 s ARG 81 CO 0.43 -0.30 1.15 0.08 -1.08 0.00 0.00 175.30 175.58 3ci2 s VAL 82 N -2.05 4.01 0.00 4.99 1.01 -0.29 -0.21 120.40 127.86 3ci2 s VAL 82 Ca -0.08 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3ci2 s VAL 82 Cb -0.02 -4.77 0.00 0.00 0.00 0.00 0.00 36.38 31.60 3ci2 s VAL 82 CO 0.01 -1.53 0.00 0.61 0.00 0.00 0.00 175.10 174.19