#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 4.24 -0.52 1.47 0.00 -1.26 -4.65 118.16 117.44 3ci2 n LYS 21 Ca 0.00 -4.57 0.10 0.00 0.00 0.00 0.00 58.31 53.84 3ci2 n LYS 21 Cb 0.00 -2.49 0.33 0.00 0.00 0.00 0.00 35.03 32.88 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 1.33 1.49 -3.97 3.15 -2.24 -1.26 -4.90 114.28 107.88 3ci2 n THR 22 Ca 0.26 -1.07 -0.11 0.00 -2.27 0.00 0.00 64.05 60.87 3ci2 n THR 22 Cb 0.34 0.22 -0.12 0.00 -2.10 0.00 0.00 70.33 68.67 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 -1.59 0.25 -0.48 -0.78 1.03 -1.26 -0.19 118.70 115.67 3ci2 s GLU 23 Ca 0.48 -0.42 0.08 0.00 0.03 0.00 0.00 54.97 55.14 3ci2 s GLU 23 Cb 0.29 0.01 0.30 0.00 -0.80 0.00 0.00 34.13 33.94 3ci2 s GLU 23 CO 0.26 -0.02 0.73 0.91 -1.33 0.00 0.00 175.26 175.82 3ci2 n TRP 24 N 2.09 1.67 0.01 4.83 8.01 -0.59 -4.89 117.44 128.57 3ci2 n TRP 24 Ca -0.20 -3.86 0.04 0.00 -1.31 0.00 0.00 57.50 52.17 3ci2 n TRP 24 Cb 0.57 -0.45 0.43 0.00 -2.01 0.00 0.00 31.31 29.85 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 3.50 0.53 0.00 -0.99 0.13 -1.95 -0.97 132.00 132.24 3ci2 h PRO 25 Ca 0.12 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3ci2 h PRO 25 Cb 0.77 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.78 3ci2 h PRO 25 CO 0.64 0.35 0.06 0.39 -0.23 0.00 0.00 178.00 179.21 3ci2 n GLU 26 N -4.47 0.06 -0.10 0.86 4.71 -1.26 -0.44 120.64 119.99 3ci2 n GLU 26 Ca 0.03 0.53 0.12 0.00 -0.01 0.00 0.00 57.16 57.82 3ci2 n GLU 26 Cb 0.06 -1.74 0.18 0.00 -1.01 0.00 0.00 31.44 28.93 3ci2 n GLU 26 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3ci2 n LEU 27 N -1.78 3.17 -4.70 -4.62 4.77 -0.37 -4.93 117.00 108.55 3ci2 n LEU 27 Ca -0.01 -1.24 -0.42 0.00 -0.03 0.00 0.00 56.01 54.31 3ci2 n LEU 27 Cb 0.07 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3ci2 n LEU 27 CO 0.04 0.62 0.98 -0.69 -1.33 0.00 0.00 177.39 177.01 3ci2 s VAL 28 N -1.72 3.98 0.00 4.08 1.01 0.42 -1.77 120.40 126.40 3ci2 s VAL 28 Ca 0.34 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.70 3ci2 s VAL 28 Cb 0.22 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3ci2 s VAL 28 CO 0.31 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.06 3ci2 n GLY 29 N 3.40 0.71 3.54 4.51 0.00 -1.10 -5.01 105.19 111.24 3ci2 n GLY 29 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.93 1.90 0.31 1.61 1.02 -0.73 -4.83 119.74 118.10 3ci2 s LYS 30 Ca 0.00 -1.68 -0.08 0.00 0.02 0.00 0.00 55.97 54.23 3ci2 s LYS 30 Cb 0.00 -1.89 -0.06 0.00 -0.52 0.00 0.00 37.83 35.35 3ci2 s LYS 30 CO 0.00 0.31 0.63 -1.12 -0.92 0.00 0.00 175.35 174.25 3ci2 s SER 31 N -3.58 6.54 0.11 2.83 0.01 -1.26 0.73 113.70 119.08 3ci2 s SER 31 Ca 0.31 0.93 -0.24 0.00 1.31 0.00 0.00 55.95 58.26 3ci2 s SER 31 Cb -0.04 -2.23 -0.07 0.00 0.21 0.00 0.00 66.02 63.89 3ci2 s SER 31 CO 0.17 -0.23 1.41 1.62 0.41 0.00 0.00 173.24 176.63 3ci2 h VAL 32 N 1.48 0.00 0.00 3.43 3.04 -1.09 0.61 116.25 123.71 3ci2 h VAL 32 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 3ci2 h VAL 32 Cb 1.18 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 3ci2 h VAL 32 CO 0.66 0.00 0.00 -0.33 -1.01 0.00 0.00 177.57 176.89 3ci2 h GLU 33 N -0.12 0.00 0.02 4.17 4.39 -1.95 -0.71 114.58 120.38 3ci2 h GLU 33 Ca 0.09 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.68 3ci2 h GLU 33 Cb 0.37 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3ci2 h GLU 33 CO -0.61 0.00 -0.48 1.49 -1.16 0.00 0.00 179.01 178.25 3ci2 h GLU 34 N 0.00 0.29 0.13 2.33 4.81 -1.26 0.32 114.58 121.20 3ci2 h GLU 34 Ca 0.00 -0.34 0.02 0.00 -0.13 0.00 0.00 59.36 58.91 3ci2 h GLU 34 Cb 0.47 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 3ci2 h GLU 34 CO 0.00 1.05 -0.32 0.00 -0.73 0.00 0.00 179.01 179.01 3ci2 h ALA 35 N 0.25 -0.56 -0.59 2.92 0.00 0.51 0.52 119.26 122.30 3ci2 h ALA 35 Ca -0.07 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.91 3ci2 h ALA 35 Cb 1.23 0.53 -0.11 0.00 0.00 0.00 0.00 17.79 19.44 3ci2 h ALA 35 CO 0.09 -0.87 -0.11 -0.22 0.00 0.00 0.00 179.25 178.14 3ci2 h LYS 36 N -0.56 0.02 -0.73 0.00 3.64 -1.13 0.67 116.57 118.49 3ci2 h LYS 36 Ca 0.03 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.52 3ci2 h LYS 36 Cb 0.58 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.31 3ci2 h LYS 36 CO -0.18 0.01 0.32 -0.22 -2.27 0.00 0.00 179.45 177.11 3ci2 h LYS 37 N 0.02 0.49 -0.10 1.90 3.64 0.75 0.18 116.57 123.46 3ci2 h LYS 37 Ca 0.29 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 3ci2 h LYS 37 Cb 0.45 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3ci2 h LYS 37 CO -0.59 0.33 -0.14 0.28 -2.27 0.00 0.00 179.45 177.06 3ci2 h VAL 38 N 0.51 1.38 -0.66 2.00 2.07 0.22 -3.30 116.25 118.47 3ci2 h VAL 38 Ca 0.38 -1.37 0.14 0.00 0.82 0.00 0.00 66.70 66.67 3ci2 h VAL 38 Cb 0.50 2.06 -0.11 0.00 -1.52 0.00 0.00 31.29 32.22 3ci2 h VAL 38 CO -0.34 0.39 -0.02 0.40 0.02 0.00 0.00 177.57 178.02 3ci2 h ILE 39 N -0.17 0.43 -0.00 4.57 2.04 0.12 0.40 117.51 124.90 3ci2 h ILE 39 Ca 0.01 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3ci2 h ILE 39 Cb 0.69 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3ci2 h ILE 39 CO 0.03 0.02 0.01 -0.07 0.00 0.00 0.00 178.15 178.14 3ci2 h LEU 40 N 0.10 0.00 -0.10 1.44 3.38 -0.77 0.39 115.31 119.75 3ci2 h LEU 40 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3ci2 h LEU 40 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3ci2 h LEU 40 CO -0.58 0.00 0.00 -0.61 0.09 0.00 0.00 178.44 177.34 3ci2 h GLN 41 N 0.00 0.00 0.00 1.13 -0.00 -0.27 -3.22 115.11 112.75 3ci2 h GLN 41 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 58.65 58.36 3ci2 h GLN 41 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.45 3ci2 h GLN 41 CO -0.00 0.00 -1.77 -3.47 0.00 0.00 0.00 178.83 173.59 3ci2 n ASP 42 N -2.49 1.92 -3.82 -0.69 -0.08 0.11 -4.76 116.55 106.74 3ci2 n ASP 42 Ca 0.05 0.39 -0.29 0.00 -1.51 0.00 0.00 54.79 53.43 3ci2 n ASP 42 Cb 0.44 -0.85 -0.11 0.00 2.34 0.00 0.00 41.12 42.94 3ci2 n ASP 42 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3ci2 n LYS 43 N -4.37 2.07 0.00 -0.67 4.76 0.23 -5.02 118.16 115.17 3ci2 n LYS 43 Ca -0.38 -4.53 0.00 0.00 -2.87 0.00 0.00 58.31 50.53 3ci2 n LYS 43 Cb 0.72 -2.30 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 3ci2 n LYS 43 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3ci2 n PRO 44 N 1.75 0.00 -0.09 1.97 -0.02 -1.22 0.03 135.00 137.43 3ci2 n PRO 44 Ca 0.22 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.75 3ci2 n PRO 44 Cb 0.36 0.00 0.20 0.00 -0.02 0.00 0.00 33.50 34.04 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 -3.81 1.45 -1.49 -0.52 -0.00 -1.26 -4.89 120.64 110.12 3ci2 n GLU 45 Ca 0.00 -0.70 -0.14 0.00 -0.00 0.00 0.00 57.16 56.32 3ci2 n GLU 45 Cb 0.00 -1.22 -0.11 0.00 -0.00 0.00 0.00 31.44 30.11 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 0.02 0.52 -1.62 -1.84 0.00 0.10 -4.74 120.51 112.96 3ci2 n ALA 46 Ca 0.09 -1.37 -0.42 0.00 0.00 0.00 0.00 53.44 51.74 3ci2 n ALA 46 Cb 0.18 -2.78 -0.02 0.00 0.00 0.00 0.00 19.45 16.84 3ci2 n ALA 46 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3ci2 n GLN 47 N 7.40 2.48 -2.50 0.00 0.00 0.20 -4.78 117.38 120.17 3ci2 n GLN 47 Ca 0.46 -2.43 -0.35 0.00 -0.00 0.00 0.00 57.00 54.68 3ci2 n GLN 47 Cb 0.37 -3.21 -0.03 0.00 0.00 0.00 0.00 30.24 27.37 3ci2 n GLN 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3ci2 s ILE 48 N 3.89 3.66 0.16 1.69 1.01 -1.26 -4.47 121.20 125.87 3ci2 s ILE 48 Ca 0.51 1.15 0.10 0.00 0.00 0.00 0.00 60.65 62.41 3ci2 s ILE 48 Cb 0.13 -3.53 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 3ci2 s ILE 48 CO -0.02 -0.11 -0.23 -0.63 0.00 0.00 0.00 174.94 173.95 3ci2 s ILE 49 N -1.80 2.09 -0.23 2.92 1.09 -1.17 -4.91 121.20 119.19 3ci2 s ILE 49 Ca 0.63 -1.86 -0.17 0.00 -1.10 0.00 0.00 60.65 58.16 3ci2 s ILE 49 Cb -0.20 -1.93 -0.03 0.00 -1.06 0.00 0.00 42.46 39.24 3ci2 s ILE 49 CO 0.25 -0.11 0.45 0.54 -0.10 0.00 0.00 174.94 175.97 3ci2 s VAL 50 N -1.53 5.14 0.00 2.92 0.11 -1.26 -3.09 120.40 122.69 3ci2 s VAL 50 Ca 0.15 0.77 0.01 0.00 -2.93 0.00 0.00 61.98 59.99 3ci2 s VAL 50 Cb -0.08 -3.77 -0.01 0.00 -1.53 0.00 0.00 36.38 30.99 3ci2 s VAL 50 CO 0.07 0.17 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.20 3ci2 s LEU 51 N 1.83 2.05 0.22 2.54 1.02 -0.84 -5.00 118.68 120.50 3ci2 s LEU 51 Ca 0.20 -0.15 -0.30 0.00 0.02 0.00 0.00 54.13 53.90 3ci2 s LEU 51 Cb -0.15 -0.20 -0.09 0.00 0.02 0.00 0.00 46.19 45.77 3ci2 s LEU 51 CO 0.09 0.01 0.93 -2.16 0.02 0.00 0.00 176.35 175.23 3ci2 s PRO 52 N -0.33 4.82 -0.07 1.29 0.04 -1.26 -1.81 135.00 137.68 3ci2 s PRO 52 Ca -0.00 1.46 -0.40 0.00 0.04 0.00 0.00 61.00 62.09 3ci2 s PRO 52 Cb -0.03 -3.29 -0.18 0.00 0.04 0.00 0.00 34.50 31.04 3ci2 s PRO 52 CO -0.00 0.50 1.31 0.28 0.04 0.00 0.00 177.00 179.13 3ci2 n VAL 53 N 1.61 0.04 0.00 -0.36 0.31 0.15 -2.60 118.33 117.47 3ci2 n VAL 53 Ca -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 3ci2 n VAL 53 Cb 0.47 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 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 2.49 2.03 3.48 2.92 0.00 -1.26 -5.03 105.19 109.81 3ci2 n GLY 54 Ca 0.22 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.49 2.61 -1.04 -1.07 -4.78 114.28 108.51 3ci2 n THR 55 Ca 0.00 -0.19 -0.45 0.00 -2.04 0.00 0.00 64.05 61.37 3ci2 n THR 55 Cb 0.00 -1.07 -0.07 0.00 -1.82 0.00 0.00 70.33 67.37 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 7.46 0.12 0.00 12.58 2.08 -1.26 -4.84 119.36 135.50 3ci2 n ILE 56 Ca 0.57 -0.37 0.00 0.00 0.56 0.00 0.00 62.75 63.51 3ci2 n ILE 56 Cb 0.14 -1.85 0.00 0.00 -0.75 0.00 0.00 39.64 37.19 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 7.48 0.00 -1.52 1.39 0.24 -1.26 -4.98 118.33 119.67 3ci2 n VAL 57 Ca 0.42 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.59 3ci2 n VAL 57 Cb 0.30 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.57 3ci2 n VAL 57 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3ci2 n THR 58 N 0.00 0.00 -0.11 3.34 -1.04 -1.26 -4.41 114.28 110.80 3ci2 n THR 58 Ca 0.00 -0.30 -0.25 0.00 -2.04 0.00 0.00 64.05 61.47 3ci2 n THR 58 Cb 0.00 -1.70 -0.11 0.00 -1.82 0.00 0.00 70.33 66.70 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 7.97 0.61 -1.30 -2.82 2.81 -1.26 -4.99 117.12 118.15 3ci2 n MET 59 Ca 0.43 0.36 -0.17 0.00 -1.81 0.00 0.00 57.70 56.51 3ci2 n MET 59 Cb 0.43 -1.61 0.11 0.00 -0.71 0.00 0.00 33.22 31.44 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 -4.10 -0.56 -3.06 0.03 -0.00 -1.26 -5.13 120.64 106.56 3ci2 n GLU 60 Ca -0.43 -1.34 -0.04 0.00 -0.00 0.00 0.00 57.16 55.36 3ci2 n GLU 60 Cb 0.85 -0.73 -0.01 0.00 -0.00 0.00 0.00 31.44 31.55 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 -2.52 -1.43 -1.05 -1.84 5.04 -1.26 -4.91 117.35 109.38 3ci2 s TYR 61 Ca 0.44 -0.28 -0.09 0.00 -2.44 0.00 0.00 57.07 54.69 3ci2 s TYR 61 Cb -0.01 0.20 0.26 0.00 0.35 0.00 0.00 41.96 42.76 3ci2 s TYR 61 CO 0.31 -1.18 1.03 1.03 -1.34 0.00 0.00 175.55 175.40 3ci2 s ARG 62 N 1.34 4.04 0.00 4.97 3.00 -1.26 -4.85 118.95 126.19 3ci2 s ARG 62 Ca 0.22 -3.11 0.00 0.00 0.00 0.00 0.00 55.73 52.84 3ci2 s ARG 62 Cb -0.03 -4.49 0.00 0.00 0.00 0.00 0.00 34.95 30.43 3ci2 s ARG 62 CO -0.06 -1.25 0.38 1.51 0.00 0.00 0.00 175.30 175.87 3ci2 n ILE 63 N 2.86 0.16 0.61 1.52 0.13 -1.26 0.59 119.36 123.98 3ci2 n ILE 63 Ca 0.22 0.31 0.10 0.00 -1.10 0.00 0.00 62.75 62.28 3ci2 n ILE 63 Cb 0.40 -1.31 0.26 0.00 -0.84 0.00 0.00 39.64 38.15 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 -0.88 2.59 -4.10 9.51 5.68 -1.26 -4.77 116.55 123.32 3ci2 n ASP 64 Ca 0.00 -1.92 -0.22 0.00 -0.50 0.00 0.00 54.79 52.16 3ci2 n ASP 64 Cb 0.27 -0.25 -0.15 0.00 -1.14 0.00 0.00 41.12 39.85 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 -1.50 1.07 0.11 0.11 3.52 0.20 0.60 118.95 123.07 3ci2 s ARG 65 Ca 0.35 -0.49 0.07 0.00 -0.13 0.00 0.00 55.73 55.52 3ci2 s ARG 65 Cb 0.19 -1.04 -0.04 0.00 -1.56 0.00 0.00 34.95 32.50 3ci2 s ARG 65 CO 0.26 0.28 -0.06 0.08 -0.81 0.00 0.00 175.30 175.05 3ci2 s VAL 66 N -0.35 3.59 -0.38 7.11 1.01 -1.26 -0.58 120.40 129.54 3ci2 s VAL 66 Ca 0.05 -1.22 -0.18 0.00 0.00 0.00 0.00 61.98 60.63 3ci2 s VAL 66 Cb -0.05 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.62 3ci2 s VAL 66 CO -0.00 0.08 0.49 -0.60 0.00 0.00 0.00 175.10 175.06 3ci2 s ARG 67 N -2.35 3.41 -0.91 2.72 6.06 0.14 -3.02 118.95 124.99 3ci2 s ARG 67 Ca 0.24 -0.41 -0.09 0.00 -2.50 0.00 0.00 55.73 52.97 3ci2 s ARG 67 Cb -0.11 -3.88 0.23 0.00 0.06 0.00 0.00 34.95 31.25 3ci2 s ARG 67 CO 0.16 -0.75 0.84 -0.51 -2.50 0.00 0.00 175.30 172.54 3ci2 s LEU 68 N 2.33 6.21 -0.78 -0.88 1.43 -1.18 -2.48 118.68 123.34 3ci2 s LEU 68 Ca 0.16 -3.20 -0.24 0.00 -1.03 0.00 0.00 54.13 49.82 3ci2 s LEU 68 Cb -0.16 -2.11 0.06 0.00 0.03 0.00 0.00 46.19 44.01 3ci2 s LEU 68 CO 0.14 -0.38 1.19 -0.36 0.23 0.00 0.00 176.35 177.17 3ci2 s PHE 69 N -0.61 2.53 0.49 0.29 0.08 -1.26 -1.98 117.98 117.52 3ci2 s PHE 69 Ca 0.24 -0.47 0.08 0.00 0.12 0.00 0.00 56.93 56.90 3ci2 s PHE 69 Cb -0.11 -4.50 0.03 0.00 -0.57 0.00 0.00 43.02 37.87 3ci2 s PHE 69 CO -0.08 -1.86 0.53 0.14 -0.10 0.00 0.00 175.22 173.85 3ci2 s VAL 70 N 4.78 2.38 0.00 -0.44 -7.23 -0.75 -2.45 120.40 116.69 3ci2 s VAL 70 Ca 0.32 -1.21 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 3ci2 s VAL 70 Cb -0.09 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.26 3ci2 s VAL 70 CO 0.07 0.00 0.00 -0.90 -0.31 0.00 0.00 175.10 173.96 3ci2 n ASP 71 N -1.84 0.00 -1.43 4.85 5.75 0.85 0.32 116.55 125.04 3ci2 n ASP 71 Ca 0.07 0.00 0.06 0.00 -0.01 0.00 0.00 54.79 54.91 3ci2 n ASP 71 Cb 0.62 0.00 0.30 0.00 -1.03 0.00 0.00 41.12 41.00 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 3.54 -0.89 0.11 0.00 -1.26 -2.91 118.16 116.75 3ci2 n LYS 72 Ca 0.00 -2.33 0.04 0.00 0.00 0.00 0.00 58.31 56.02 3ci2 n LYS 72 Cb 0.00 -1.91 0.07 0.00 0.00 0.00 0.00 35.03 33.18 3ci2 n LYS 72 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3ci2 n LEU 73 N 0.68 1.22 -2.85 3.14 4.77 -1.26 -4.98 117.00 117.71 3ci2 n LEU 73 Ca 0.21 -2.23 -0.17 0.00 -0.03 0.00 0.00 56.01 53.79 3ci2 n LEU 73 Cb 0.84 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.75 3ci2 n LEU 73 CO 0.22 0.63 -0.06 0.47 -1.33 0.00 0.00 177.39 177.32 3ci2 n ASP 74 N -0.17 -1.00 -4.60 -1.43 8.00 -1.15 -4.87 116.55 111.33 3ci2 n ASP 74 Ca 0.08 -0.37 -0.26 0.00 0.71 0.00 0.00 54.79 54.95 3ci2 n ASP 74 Cb 0.88 -0.91 -0.09 0.00 -0.02 0.00 0.00 41.12 40.99 3ci2 n ASP 74 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3ci2 s ASN 75 N -2.03 4.40 -0.21 -2.24 0.01 -1.26 -0.44 114.94 113.16 3ci2 s ASN 75 Ca 0.34 -0.54 -0.29 0.00 -0.71 0.00 0.00 52.86 51.66 3ci2 s ASN 75 Cb -0.20 -0.80 0.00 0.00 0.41 0.00 0.00 41.25 40.66 3ci2 s ASN 75 CO 0.41 0.09 1.13 -0.63 -1.51 0.00 0.00 177.10 176.59 3ci2 s ILE 76 N -1.76 4.52 -0.26 0.60 1.01 0.22 -0.11 121.20 125.43 3ci2 s ILE 76 Ca 0.26 1.84 -0.08 0.00 0.00 0.00 0.00 60.65 62.67 3ci2 s ILE 76 Cb -0.09 -4.20 -0.15 0.00 0.01 0.00 0.00 42.46 38.03 3ci2 s ILE 76 CO 0.16 -0.18 -0.22 0.00 0.00 0.00 0.00 174.94 174.71 3ci2 n ALA 77 N 6.46 1.23 -2.53 9.38 0.00 -1.12 -2.71 120.51 131.23 3ci2 n ALA 77 Ca 0.13 -1.02 -0.24 0.00 0.00 0.00 0.00 53.44 52.31 3ci2 n ALA 77 Cb 0.46 -0.06 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.50 1.89 0.44 0.00 -0.44 -1.03 -5.03 119.66 113.00 3ci2 s GLN 78 Ca -0.36 -1.68 -0.23 0.00 -2.50 0.00 0.00 55.36 50.60 3ci2 s GLN 78 Cb 0.11 -1.89 -0.08 0.00 -1.64 0.00 0.00 33.01 29.52 3ci2 s GLN 78 CO 0.56 0.31 1.12 0.08 0.50 0.00 0.00 175.29 177.86 3ci2 s VAL 79 N -2.46 3.33 0.62 1.34 1.01 -1.26 -4.72 120.40 118.25 3ci2 s VAL 79 Ca 0.31 0.99 -0.12 0.00 0.00 0.00 0.00 61.98 63.16 3ci2 s VAL 79 Cb -0.05 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3ci2 s VAL 79 CO 0.17 -0.02 1.03 -2.84 0.00 0.00 0.00 175.10 173.44 3ci2 s PRO 80 N -2.68 3.53 0.18 2.72 0.02 -1.26 -4.81 135.00 132.70 3ci2 s PRO 80 Ca 0.62 0.81 -0.23 0.00 0.02 0.00 0.00 61.00 62.23 3ci2 s PRO 80 Cb -0.26 -2.07 0.06 0.00 0.02 0.00 0.00 34.50 32.25 3ci2 s PRO 80 CO 0.31 -0.62 0.64 -0.98 -0.33 0.00 0.00 177.00 176.02 3ci2 s ARG 81 N -5.01 1.36 0.36 5.54 1.70 -1.03 -1.54 118.95 120.32 3ci2 s ARG 81 Ca 0.56 -0.57 -0.15 0.00 -0.47 0.00 0.00 55.73 55.10 3ci2 s ARG 81 Cb -0.11 0.58 -0.09 0.00 -0.57 0.00 0.00 34.95 34.76 3ci2 s ARG 81 CO 0.51 -0.60 0.79 0.08 -1.08 0.00 0.00 175.30 175.00 3ci2 s VAL 82 N -3.75 4.64 0.00 4.99 1.01 0.73 0.24 120.40 128.26 3ci2 s VAL 82 Ca 0.03 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.02 3ci2 s VAL 82 Cb -0.02 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.73 3ci2 s VAL 82 CO -0.09 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.35