#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 2.70 -0.09 1.47 0.00 -1.26 -4.68 118.16 116.30 3ci2 n LYS 21 Ca 0.00 -4.61 0.10 0.00 0.00 0.00 0.00 58.31 53.80 3ci2 n LYS 21 Cb 0.00 -2.32 0.13 0.00 0.00 0.00 0.00 35.03 32.85 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 1.27 1.80 -3.65 3.15 -2.24 -1.26 -4.80 114.28 108.54 3ci2 n THR 22 Ca 0.27 -2.16 -0.11 0.00 -2.27 0.00 0.00 64.05 59.78 3ci2 n THR 22 Cb 0.38 -0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.74 1.03 -0.39 -0.78 1.03 -1.26 0.12 118.70 115.71 3ci2 s GLU 23 Ca 0.30 -0.69 0.10 0.00 0.03 0.00 0.00 54.97 54.72 3ci2 s GLU 23 Cb 0.27 0.45 0.30 0.00 -0.80 0.00 0.00 34.13 34.35 3ci2 s GLU 23 CO 0.03 -0.39 0.63 0.91 -1.33 0.00 0.00 175.26 175.11 3ci2 n TRP 24 N -0.13 0.05 -0.36 4.83 8.01 -0.98 -4.94 117.44 123.93 3ci2 n TRP 24 Ca -0.16 -3.71 0.08 0.00 -1.31 0.00 0.00 57.50 52.41 3ci2 n TRP 24 Cb 0.63 -0.39 0.26 0.00 -2.01 0.00 0.00 31.31 29.80 3ci2 n TRP 24 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3ci2 h PRO 25 N 3.49 0.92 -0.75 -0.99 0.11 -1.93 -0.26 132.00 132.59 3ci2 h PRO 25 Ca 0.09 -0.06 0.22 0.00 0.11 0.00 0.00 66.00 66.36 3ci2 h PRO 25 Cb 0.91 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 3ci2 h PRO 25 CO 0.49 0.61 0.64 0.93 -0.21 0.00 0.00 178.00 180.46 3ci2 h GLU 26 N 0.94 0.00 0.00 1.05 3.07 -2.01 0.94 114.58 118.58 3ci2 h GLU 26 Ca 0.52 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.29 3ci2 h GLU 26 Cb 0.58 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 3ci2 h GLU 26 CO -0.29 0.00 -0.40 -0.07 -1.40 0.00 0.00 179.01 176.85 3ci2 h LEU 27 N 0.00 0.00 -9.34 1.33 3.38 -1.45 -3.46 115.31 105.76 3ci2 h LEU 27 Ca 0.36 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.69 3ci2 h LEU 27 Cb 1.63 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.47 3ci2 h LEU 27 CO -0.00 0.40 0.14 0.52 0.09 0.00 0.00 178.44 179.59 3ci2 n VAL 28 N -3.22 1.34 0.00 1.22 0.31 0.32 -1.12 118.33 117.19 3ci2 n VAL 28 Ca 0.02 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 3ci2 n VAL 28 Cb 0.68 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 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 1.74 2.58 3.65 2.92 0.00 -0.43 -4.98 105.19 110.66 3ci2 n GLY 29 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.92 2.23 0.38 1.61 1.02 -0.28 -4.81 119.74 118.97 3ci2 s LYS 30 Ca 0.00 -1.52 -0.11 0.00 0.02 0.00 0.00 55.97 54.36 3ci2 s LYS 30 Cb 0.00 -2.10 -0.07 0.00 -0.52 0.00 0.00 37.83 35.14 3ci2 s LYS 30 CO 0.00 0.28 0.75 -1.54 -0.92 0.00 0.00 175.35 173.91 3ci2 s SER 31 N -3.70 6.56 0.19 2.83 1.04 -1.26 0.29 113.70 119.65 3ci2 s SER 31 Ca 0.33 1.13 -0.22 0.00 0.48 0.00 0.00 55.95 57.67 3ci2 s SER 31 Cb -0.05 -2.32 0.11 0.00 0.10 0.00 0.00 66.02 63.86 3ci2 s SER 31 CO 0.20 -0.35 1.46 0.55 0.98 0.00 0.00 173.24 176.08 3ci2 n VAL 32 N -1.09 -0.56 0.25 5.02 3.14 0.82 -0.42 118.33 125.49 3ci2 n VAL 32 Ca 0.02 2.24 0.13 0.00 -2.96 0.00 0.00 64.34 63.77 3ci2 n VAL 32 Cb 0.54 -2.88 0.66 0.00 -1.06 0.00 0.00 33.84 31.09 3ci2 n VAL 32 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 3ci2 h GLU 33 N 0.00 0.00 0.01 1.45 4.39 -1.95 -1.35 114.58 117.13 3ci2 h GLU 33 Ca 0.26 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.92 3ci2 h GLU 33 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 3ci2 h GLU 33 CO -0.92 0.14 -0.13 0.93 -1.16 0.00 0.00 179.01 177.87 3ci2 h GLU 34 N 0.00 0.07 -0.77 2.33 4.39 -1.13 -2.36 114.58 117.12 3ci2 h GLU 34 Ca -0.00 -0.09 0.14 0.00 0.34 0.00 0.00 59.36 59.75 3ci2 h GLU 34 Cb 0.48 0.03 -0.10 0.00 -0.10 0.00 0.00 28.75 29.06 3ci2 h GLU 34 CO 0.02 0.93 0.32 0.00 -1.16 0.00 0.00 179.01 179.11 3ci2 h ALA 35 N 0.15 1.09 -0.48 3.43 0.00 -0.54 -0.23 119.26 122.68 3ci2 h ALA 35 Ca -0.02 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.08 3ci2 h ALA 35 Cb 0.98 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3ci2 h ALA 35 CO 0.02 -0.20 0.13 -0.22 0.00 0.00 0.00 179.25 178.98 3ci2 h LYS 36 N 0.46 0.27 -0.38 0.00 3.64 -1.22 0.26 116.57 119.60 3ci2 h LYS 36 Ca 0.42 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.85 3ci2 h LYS 36 Cb 0.64 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.34 3ci2 h LYS 36 CO -0.40 0.18 0.01 0.87 -2.27 0.00 0.00 179.45 177.84 3ci2 h LYS 37 N 0.28 0.11 -0.14 1.90 1.57 -0.49 0.23 116.57 120.04 3ci2 h LYS 37 Ca 0.23 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 3ci2 h LYS 37 Cb 0.28 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3ci2 h LYS 37 CO -0.28 0.07 0.03 0.28 -0.57 0.00 0.00 179.45 178.98 3ci2 h VAL 38 N 0.12 1.21 0.23 0.50 2.07 -0.76 0.10 116.25 119.71 3ci2 h VAL 38 Ca 0.19 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 67.04 3ci2 h VAL 38 Cb 0.25 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3ci2 h VAL 38 CO -0.30 0.20 -0.30 0.40 0.02 0.00 0.00 177.57 177.59 3ci2 h ILE 39 N 0.01 0.37 0.00 4.57 2.04 -0.06 0.10 117.51 124.55 3ci2 h ILE 39 Ca 0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 3ci2 h ILE 39 Cb 0.28 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3ci2 h ILE 39 CO 0.00 0.00 -0.07 -0.07 0.00 0.00 0.00 178.15 178.01 3ci2 h LEU 40 N -0.59 0.00 -1.42 1.44 3.38 -0.55 0.53 115.31 118.11 3ci2 h LEU 40 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3ci2 h LEU 40 Cb 0.56 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3ci2 h LEU 40 CO -0.10 0.07 -0.29 -0.61 0.09 0.00 0.00 178.44 177.59 3ci2 h GLN 41 N 0.00 0.00 0.00 1.13 5.75 0.12 -3.34 115.11 118.78 3ci2 h GLN 41 Ca -0.00 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.24 3ci2 h GLN 41 Cb 0.29 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.80 3ci2 h GLN 41 CO 0.01 0.29 -1.72 -3.47 -2.65 0.00 0.00 178.83 171.29 3ci2 n ASP 42 N -4.05 1.92 -3.56 -0.69 -0.08 0.94 -4.85 116.55 106.18 3ci2 n ASP 42 Ca -0.02 0.38 -0.28 0.00 -1.51 0.00 0.00 54.79 53.36 3ci2 n ASP 42 Cb 0.35 -0.83 -0.08 0.00 2.34 0.00 0.00 41.12 42.89 3ci2 n ASP 42 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 3ci2 n LYS 43 N -4.37 2.51 -0.00 -0.67 3.00 0.15 -5.00 118.16 113.77 3ci2 n LYS 43 Ca -0.36 -4.63 0.00 0.00 -0.00 0.00 0.00 58.31 53.32 3ci2 n LYS 43 Cb 0.69 -2.28 0.00 0.00 0.00 0.00 0.00 35.03 33.44 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 1.11 -0.00 0.30 1.64 -0.02 -1.25 -0.33 135.00 136.44 3ci2 n PRO 44 Ca 0.28 0.00 0.17 0.00 -2.02 0.00 0.00 63.50 61.93 3ci2 n PRO 44 Cb 0.39 -0.00 0.91 0.00 -0.02 0.00 0.00 33.50 34.78 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 0.00 0.00 -4.87 -0.52 3.07 -1.91 -3.45 114.58 106.90 3ci2 h GLU 45 Ca 0.00 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 58.71 3ci2 h GLU 45 Cb 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.86 3ci2 h GLU 45 CO -0.00 0.04 1.40 0.00 -1.40 0.00 0.00 179.01 179.05 3ci2 n ALA 46 N -2.18 0.75 -1.86 3.43 0.00 0.55 -4.80 120.51 116.41 3ci2 n ALA 46 Ca -0.02 -0.90 -0.40 0.00 0.00 0.00 0.00 53.44 52.12 3ci2 n ALA 46 Cb 0.18 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 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 4.80 2.32 -2.49 0.00 1.13 0.21 -4.79 117.38 118.55 3ci2 n GLN 47 Ca 0.28 -2.54 -0.43 0.00 -1.94 0.00 0.00 57.00 52.37 3ci2 n GLN 47 Cb 0.34 -3.34 -0.02 0.00 0.11 0.00 0.00 30.24 27.33 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 5.58 4.38 0.32 5.09 1.01 -1.26 -4.43 121.20 131.89 3ci2 s ILE 48 Ca 0.56 1.67 0.10 0.00 0.00 0.00 0.00 60.65 62.99 3ci2 s ILE 48 Cb 0.09 -4.08 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 3ci2 s ILE 48 CO 0.06 -0.11 -0.12 -0.63 0.00 0.00 0.00 174.94 174.14 3ci2 s ILE 49 N 3.13 2.41 -0.05 2.92 1.09 -1.26 -5.05 121.20 124.40 3ci2 s ILE 49 Ca 0.52 -2.24 -0.25 0.00 -1.10 0.00 0.00 60.65 57.59 3ci2 s ILE 49 Cb -0.21 -2.55 -0.04 0.00 -1.06 0.00 0.00 42.46 38.61 3ci2 s ILE 49 CO 0.14 -0.28 0.77 0.54 -0.10 0.00 0.00 174.94 176.01 3ci2 s VAL 50 N -2.55 4.99 -0.30 2.92 0.11 -1.26 -3.32 120.40 120.99 3ci2 s VAL 50 Ca 0.32 1.59 0.00 0.00 -2.93 0.00 0.00 61.98 60.96 3ci2 s VAL 50 Cb -0.01 -4.11 0.09 0.00 -1.53 0.00 0.00 36.38 30.83 3ci2 s VAL 50 CO 0.16 0.24 0.07 -0.22 -3.33 0.00 0.00 175.10 172.02 3ci2 s LEU 51 N 0.81 2.68 -0.01 2.54 0.20 -1.05 -4.95 118.68 118.89 3ci2 s LEU 51 Ca 0.41 -1.62 -0.30 0.00 0.69 0.00 0.00 54.13 53.31 3ci2 s LEU 51 Cb -0.19 -1.03 -0.09 0.00 -0.43 0.00 0.00 46.19 44.46 3ci2 s LEU 51 CO 0.21 -0.38 2.01 -2.65 -0.29 0.00 0.00 176.35 175.25 3ci2 n PRO 52 N 4.73 2.68 -1.37 0.98 -0.02 -1.26 -2.27 135.00 138.47 3ci2 n PRO 52 Ca -0.03 0.95 -0.51 0.00 -2.02 0.00 0.00 63.50 61.90 3ci2 n PRO 52 Cb 0.43 -3.02 -0.06 0.00 -0.02 0.00 0.00 33.50 30.83 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 5.89 0.81 0.00 -1.45 0.31 0.19 -2.64 118.33 121.44 3ci2 n VAL 53 Ca 0.22 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 3ci2 n VAL 53 Cb 0.41 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.34 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 1.61 2.57 3.39 2.92 0.00 -1.26 -4.98 105.19 109.45 3ci2 n GLY 54 Ca 0.18 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.77 2.61 -1.04 -1.08 -4.84 114.28 108.15 3ci2 n THR 55 Ca 0.00 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.49 3ci2 n THR 55 Cb 0.00 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 66.88 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 6.18 3.20 0.00 12.58 -1.09 -1.26 -4.95 121.20 135.85 3ci2 s ILE 56 Ca 0.54 0.23 0.00 0.00 -2.23 0.00 0.00 60.65 59.20 3ci2 s ILE 56 Cb 0.12 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 3ci2 s ILE 56 CO 0.28 -0.06 0.00 1.33 -1.23 0.00 0.00 174.94 175.26 3ci2 n VAL 57 N 6.22 0.00 -3.19 2.92 0.24 -1.26 -5.10 118.33 118.15 3ci2 n VAL 57 Ca 0.22 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.20 3ci2 n VAL 57 Cb 0.43 -1.07 -0.06 0.00 -1.47 0.00 0.00 33.84 31.68 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 1.06 4.75 -0.47 3.34 2.01 -1.26 -4.97 115.64 120.10 3ci2 s THR 58 Ca 0.00 0.79 -0.03 0.00 0.31 0.00 0.00 61.69 62.76 3ci2 s THR 58 Cb 0.00 -3.62 0.13 0.00 0.01 0.00 0.00 72.50 69.02 3ci2 s THR 58 CO 0.00 -0.18 2.53 0.23 -0.69 0.00 0.00 174.62 176.51 3ci2 n MET 59 N -0.38 2.33 -1.92 4.92 2.81 -1.26 -4.94 117.12 118.69 3ci2 n MET 59 Ca 0.03 -2.34 -0.28 0.00 -1.81 0.00 0.00 57.70 53.29 3ci2 n MET 59 Cb 0.53 -2.06 0.19 0.00 -0.71 0.00 0.00 33.22 31.17 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 0.57 -1.16 -2.37 0.03 0.28 -1.26 -5.01 120.64 111.71 3ci2 n GLU 60 Ca 0.46 -2.07 -0.16 0.00 -0.16 0.00 0.00 57.16 55.24 3ci2 n GLU 60 Cb 0.53 -1.27 0.03 0.00 1.43 0.00 0.00 31.44 32.16 3ci2 n GLU 60 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 3ci2 n TYR 61 N -3.71 2.26 -2.74 -1.84 9.36 -1.26 -4.78 117.16 114.45 3ci2 n TYR 61 Ca 0.16 -2.34 -0.43 0.00 3.32 0.00 0.00 57.90 58.60 3ci2 n TYR 61 Cb 0.56 -0.28 0.00 0.00 -0.63 0.00 0.00 39.34 39.00 3ci2 n TYR 61 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3ci2 n ARG 62 N -0.60 3.40 0.00 2.98 3.00 -1.26 -4.77 116.66 119.40 3ci2 n ARG 62 Ca 0.30 -3.69 0.00 0.00 -0.01 0.00 0.00 57.85 54.45 3ci2 n ARG 62 Cb 0.87 -3.06 0.00 0.00 0.00 0.00 0.00 32.46 30.27 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 4.48 0.07 0.82 0.55 0.13 -1.26 -1.76 119.36 122.41 3ci2 n ILE 63 Ca 0.39 0.00 0.11 0.00 -1.10 0.00 0.00 62.75 62.15 3ci2 n ILE 63 Cb 0.41 -0.28 0.01 0.00 -0.84 0.00 0.00 39.64 38.94 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 0.42 0.71 -3.71 9.51 5.75 -1.26 -4.54 116.55 123.44 3ci2 n ASP 64 Ca 0.00 -0.54 -0.29 0.00 -0.01 0.00 0.00 54.79 53.94 3ci2 n ASP 64 Cb 0.11 0.82 -0.13 0.00 -1.03 0.00 0.00 41.12 40.89 3ci2 n ASP 64 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3ci2 s ARG 65 N -3.08 1.38 -1.17 0.11 0.52 -0.72 0.65 118.95 116.65 3ci2 s ARG 65 Ca 0.07 -2.16 -0.21 0.00 -0.52 0.00 0.00 55.73 52.91 3ci2 s ARG 65 Cb 0.16 -2.38 0.03 0.00 0.52 0.00 0.00 34.95 33.28 3ci2 s ARG 65 CO 0.81 -1.19 1.69 0.08 0.02 0.00 0.00 175.30 176.71 3ci2 s VAL 66 N 0.14 3.93 -0.61 3.52 1.01 -1.24 -4.14 120.40 123.01 3ci2 s VAL 66 Ca 0.20 -1.30 -0.26 0.00 0.00 0.00 0.00 61.98 60.61 3ci2 s VAL 66 Cb -0.20 -4.98 -0.10 0.00 0.00 0.00 0.00 36.38 31.10 3ci2 s VAL 66 CO -0.03 -1.78 2.42 -2.11 0.00 0.00 0.00 175.10 173.60 3ci2 n ARG 67 N 8.57 0.84 -2.25 2.72 1.85 -1.16 -4.55 116.66 122.68 3ci2 n ARG 67 Ca 0.43 -0.30 -0.40 0.00 -1.00 0.00 0.00 57.85 56.58 3ci2 n ARG 67 Cb 0.48 -3.47 -0.03 0.00 -1.05 0.00 0.00 32.46 28.39 3ci2 n ARG 67 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3ci2 s LEU 68 N 12.98 3.24 -0.71 2.89 1.43 -1.21 -4.32 118.68 132.98 3ci2 s LEU 68 Ca 0.98 0.03 -0.26 0.00 -1.03 0.00 0.00 54.13 53.84 3ci2 s LEU 68 Cb -0.19 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.47 3ci2 s LEU 68 CO 0.21 -2.15 1.60 -0.36 0.23 0.00 0.00 176.35 175.88 3ci2 s PHE 69 N 7.68 1.97 0.34 0.29 0.08 -1.22 -2.53 117.98 124.58 3ci2 s PHE 69 Ca 0.54 0.34 0.07 0.00 0.12 0.00 0.00 56.93 58.00 3ci2 s PHE 69 Cb -0.11 -4.35 -0.01 0.00 -0.57 0.00 0.00 43.02 37.98 3ci2 s PHE 69 CO 0.19 -2.16 0.45 0.14 -0.10 0.00 0.00 175.22 173.73 3ci2 s VAL 70 N 7.52 3.99 0.00 -0.44 -7.23 -0.96 -1.27 120.40 122.01 3ci2 s VAL 70 Ca 0.53 -1.05 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 3ci2 s VAL 70 Cb -0.10 -3.38 0.00 0.00 0.56 0.00 0.00 36.38 33.47 3ci2 s VAL 70 CO 0.15 -0.16 0.00 -0.90 -0.31 0.00 0.00 175.10 173.89 3ci2 n ASP 71 N -1.60 0.00 -1.06 4.85 5.75 0.96 0.57 116.55 126.02 3ci2 n ASP 71 Ca -0.00 0.00 0.10 0.00 -0.01 0.00 0.00 54.79 54.88 3ci2 n ASP 71 Cb 0.58 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.94 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 2.33 -2.65 0.11 4.01 -1.26 -3.95 118.16 116.75 3ci2 n LYS 72 Ca 0.00 -2.06 -0.02 0.00 -0.51 0.00 0.00 58.31 55.71 3ci2 n LYS 72 Cb 0.00 -1.46 0.05 0.00 -0.51 0.00 0.00 35.03 33.11 3ci2 n LYS 72 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3ci2 n LEU 73 N 1.19 1.92 -1.69 -0.35 4.77 -1.26 -5.00 117.00 116.58 3ci2 n LEU 73 Ca 0.19 -3.16 0.00 0.00 -0.03 0.00 0.00 56.01 53.01 3ci2 n LEU 73 Cb 0.50 0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 3ci2 n LEU 73 CO 0.14 1.12 0.00 -0.90 -1.33 0.00 0.00 177.39 176.42 3ci2 n ASP 74 N -0.55 -0.58 -4.79 -1.43 5.68 -1.25 -4.91 116.55 108.72 3ci2 n ASP 74 Ca 0.11 0.29 -0.31 0.00 -0.50 0.00 0.00 54.79 54.38 3ci2 n ASP 74 Cb 0.84 -0.64 -0.06 0.00 -1.14 0.00 0.00 41.12 40.12 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 -1.27 5.63 -0.15 -1.12 0.01 -1.26 -0.13 114.94 116.65 3ci2 s ASN 75 Ca 0.00 0.06 -0.29 0.00 -0.71 0.00 0.00 52.86 51.92 3ci2 s ASN 75 Cb 0.00 -1.56 -0.02 0.00 0.41 0.00 0.00 41.25 40.08 3ci2 s ASN 75 CO 0.00 0.20 1.27 -0.63 -1.51 0.00 0.00 177.10 176.44 3ci2 s ILE 76 N -1.34 4.25 -0.19 0.60 1.01 0.14 -0.02 121.20 125.65 3ci2 s ILE 76 Ca 0.28 1.52 -0.12 0.00 0.00 0.00 0.00 60.65 62.33 3ci2 s ILE 76 Cb -0.12 -3.98 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 3ci2 s ILE 76 CO 0.20 -0.12 -0.28 0.00 0.00 0.00 0.00 174.94 174.74 3ci2 n ALA 77 N 6.49 1.54 -3.92 9.38 0.00 -0.95 -1.32 120.51 131.72 3ci2 n ALA 77 Ca 0.14 -0.79 -0.29 0.00 0.00 0.00 0.00 53.44 52.49 3ci2 n ALA 77 Cb 0.45 0.18 -0.13 0.00 0.00 0.00 0.00 19.45 19.95 3ci2 n ALA 77 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3ci2 s GLN 78 N -2.48 2.24 0.45 0.00 1.11 -0.39 -4.96 119.66 115.62 3ci2 s GLN 78 Ca -0.28 -3.01 -0.20 0.00 0.01 0.00 0.00 55.36 51.88 3ci2 s GLN 78 Cb 0.09 -3.38 -0.14 0.00 -1.01 0.00 0.00 33.01 28.57 3ci2 s GLN 78 CO 0.37 -1.20 0.17 0.28 0.01 0.00 0.00 175.29 174.92 3ci2 n VAL 79 N 2.51 0.88 -1.96 1.09 0.31 -1.26 -3.44 118.33 116.46 3ci2 n VAL 79 Ca 0.13 -0.50 -0.02 0.00 -0.01 0.00 0.00 64.34 63.94 3ci2 n VAL 79 Cb 0.34 -0.18 0.01 0.00 -0.91 0.00 0.00 33.84 33.10 3ci2 n VAL 79 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3ci2 n PRO 80 N 1.08 0.39 -3.67 5.55 -0.04 -1.26 -4.78 135.00 132.27 3ci2 n PRO 80 Ca 0.11 -0.21 -0.12 0.00 -0.04 0.00 0.00 63.50 63.24 3ci2 n PRO 80 Cb 0.42 -0.07 -0.08 0.00 -0.04 0.00 0.00 33.50 33.73 3ci2 n PRO 80 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3ci2 s ARG 81 N -2.77 0.65 0.06 0.54 3.52 -1.26 -2.31 118.95 117.39 3ci2 s ARG 81 Ca 0.06 0.90 -0.23 0.00 -0.13 0.00 0.00 55.73 56.33 3ci2 s ARG 81 Cb -0.00 0.24 -0.11 0.00 -1.56 0.00 0.00 34.95 33.52 3ci2 s ARG 81 CO 0.04 -0.11 1.36 0.28 -0.81 0.00 0.00 175.30 176.06 3ci2 h VAL 82 N 4.58 0.00 0.00 7.11 2.07 0.82 -3.08 116.25 127.75 3ci2 h VAL 82 Ca -0.30 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3ci2 h VAL 82 Cb 1.18 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3ci2 h VAL 82 CO 0.16 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.36