#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ttv s HIS 14 N 0.00 3.24 0.55 3.10 3.76 -1.26 -4.95 115.29 119.73 1ttv s HIS 14 Ca 0.00 0.35 0.00 0.00 -0.15 0.00 0.00 55.06 55.26 1ttv s HIS 14 Cb 0.00 -2.53 0.00 0.00 1.11 0.00 0.00 32.58 31.16 1ttv s HIS 14 CO 0.00 -0.21 0.00 -0.89 -0.85 0.00 0.00 174.74 172.79 1ttv n ILE 15 N 5.10 -0.55 -3.87 0.60 -0.00 -1.26 -5.05 119.36 114.33 1ttv n ILE 15 Ca -0.10 0.75 -0.09 0.00 -0.00 0.00 0.00 62.75 63.32 1ttv n ILE 15 Cb 0.51 -1.22 -0.01 0.00 -0.00 0.00 0.00 39.64 38.93 1ttv n ILE 15 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1ttv s SER 16 N -7.15 -0.04 0.00 4.38 0.15 -1.26 -5.02 113.70 104.75 1ttv s SER 16 Ca 0.00 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 55.71 1ttv s SER 16 Cb 0.00 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 1ttv s SER 16 CO 0.00 -1.48 0.00 0.41 1.20 0.00 0.00 173.24 173.37 1ttv n THR 17 N -0.49 0.00 -4.24 6.45 -1.04 -1.26 -4.66 114.28 109.04 1ttv n THR 17 Ca -0.05 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.70 1ttv n THR 17 Cb 0.60 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 69.03 1ttv n THR 17 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1ttv s SER 18 N -3.25 4.59 0.00 8.00 1.04 -1.26 -4.99 113.70 117.84 1ttv s SER 18 Ca 0.00 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.95 1ttv s SER 18 Cb 0.00 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.21 1ttv s SER 18 CO 0.00 0.08 0.00 -0.67 0.98 0.00 0.00 173.24 173.63 1ttv n ASP 19 N -0.19 0.00 -4.79 7.02 -0.08 -1.26 -5.01 116.55 112.24 1ttv n ASP 19 Ca -0.09 0.00 -0.27 0.00 -1.51 0.00 0.00 54.79 52.92 1ttv n ASP 19 Cb 0.56 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.96 1ttv n ASP 19 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1ttv s GLN 20 N -0.01 2.23 -0.09 -0.67 -0.21 -1.26 -5.16 119.66 114.49 1ttv s GLN 20 Ca 0.00 -2.00 -0.20 0.00 0.02 0.00 0.00 55.36 53.18 1ttv s GLN 20 Cb 0.00 -1.92 0.04 0.00 1.00 0.00 0.00 33.01 32.13 1ttv s GLN 20 CO 0.00 -0.30 0.47 -1.21 -2.12 0.00 0.00 175.29 172.13 1ttv s GLU 21 N -4.00 0.73 0.00 2.91 2.02 -1.26 -4.87 118.70 114.22 1ttv s GLU 21 Ca 0.32 0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.56 1ttv s GLU 21 Cb 0.02 0.34 0.00 0.00 0.10 0.00 0.00 34.13 34.59 1ttv s GLU 21 CO 0.18 -0.18 0.00 1.63 0.02 0.00 0.00 175.26 176.92 1ttv n LYS 22 N 1.77 -0.82 -1.29 1.61 4.76 -1.26 -4.92 118.16 118.01 1ttv n LYS 22 Ca -0.18 0.20 -0.31 0.00 -2.87 0.00 0.00 58.31 55.16 1ttv n LYS 22 Cb 0.56 -3.95 0.09 0.00 -1.84 0.00 0.00 35.03 29.89 1ttv n LYS 22 CO 0.00 0.00 0.00 -0.48 -1.37 0.00 0.00 177.40 175.55 1ttv s LEU 23 N 0.00 2.93 0.32 -0.35 0.05 -1.26 -4.25 118.68 116.12 1ttv s LEU 23 Ca 0.00 1.74 0.10 0.00 0.05 0.00 0.00 54.13 56.02 1ttv s LEU 23 Cb 0.00 -4.43 -0.06 0.00 -2.05 0.00 0.00 46.19 39.65 1ttv s LEU 23 CO 0.00 -2.04 -0.12 0.68 -0.55 0.00 0.00 176.35 174.32 1ttv s VAL 24 N -2.93 2.21 -0.47 1.48 -7.23 0.21 -3.09 120.40 110.58 1ttv s VAL 24 Ca 0.61 -2.24 0.01 0.00 -1.81 0.00 0.00 61.98 58.55 1ttv s VAL 24 Cb -0.17 -2.53 0.12 0.00 0.56 0.00 0.00 36.38 34.37 1ttv s VAL 24 CO 0.56 -0.27 0.23 -1.58 -0.31 0.00 0.00 175.10 173.73 1ttv s GLN 25 N -3.60 1.96 0.31 4.82 -0.44 -0.93 -1.42 119.66 120.36 1ttv s GLN 25 Ca 0.31 -2.23 -0.29 0.00 -2.50 0.00 0.00 55.36 50.65 1ttv s GLN 25 Cb 0.01 -3.43 -0.11 0.00 -1.64 0.00 0.00 33.01 27.84 1ttv s GLN 25 CO 0.15 -1.07 1.46 -2.14 0.50 0.00 0.00 175.29 174.19 1ttv s PRO 26 N 0.39 4.21 0.98 1.67 0.02 -1.26 -0.53 135.00 140.48 1ttv s PRO 26 Ca 0.13 2.42 -0.12 0.00 0.02 0.00 0.00 61.00 63.46 1ttv s PRO 26 Cb -0.22 -3.04 0.14 0.00 0.02 0.00 0.00 34.50 31.40 1ttv s PRO 26 CO -0.04 -0.44 0.87 0.25 -0.33 0.00 0.00 177.00 177.31 1ttv n THR 27 N 1.42 0.00 -0.35 0.99 -2.24 0.67 -4.30 114.28 110.46 1ttv n THR 27 Ca 0.04 -0.14 0.35 0.00 -2.27 0.00 0.00 64.05 62.03 1ttv n THR 27 Cb 0.40 -0.88 0.72 0.00 -2.10 0.00 0.00 70.33 68.47 1ttv n THR 27 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1ttv h PRO 28 N -1.96 0.05 0.35 -0.78 0.13 -1.93 0.47 132.00 128.33 1ttv h PRO 28 Ca -0.47 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1ttv h PRO 28 Cb 1.29 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1ttv h PRO 28 CO 0.40 0.04 -0.17 1.25 -0.23 0.00 0.00 178.00 179.29 1ttv h LEU 29 N 0.06 -0.40 -1.50 1.56 5.85 -1.95 -2.96 115.31 115.96 1ttv h LEU 29 Ca 0.61 -0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.34 1ttv h LEU 29 Cb 2.29 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 43.38 1ttv h LEU 29 CO -0.06 0.06 0.43 0.25 -0.34 0.00 0.00 178.44 178.77 1ttv h LEU 30 N -1.08 0.53 0.24 2.25 5.85 -1.51 -2.73 115.31 118.86 1ttv h LEU 30 Ca -0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1ttv h LEU 30 Cb 0.43 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1ttv h LEU 30 CO 0.08 0.34 -0.46 -0.07 -0.34 0.00 0.00 178.44 177.98 1ttv h LEU 31 N 0.60 -1.34 -0.88 2.25 3.38 -0.15 -2.28 115.31 116.89 1ttv h LEU 31 Ca 0.28 0.13 0.21 0.00 0.09 0.00 0.00 57.88 58.59 1ttv h LEU 31 Cb 0.34 0.48 -0.12 0.00 0.09 0.00 0.00 40.66 41.44 1ttv h LEU 31 CO -0.09 -0.53 0.36 -1.28 0.09 0.00 0.00 178.44 176.99 1ttv h SER 32 N -0.76 0.28 -0.90 -0.43 0.87 -1.31 0.43 113.55 111.73 1ttv h SER 32 Ca -0.03 0.15 0.10 0.00 -1.23 0.00 0.00 61.79 60.79 1ttv h SER 32 Cb 0.71 0.15 -0.08 0.00 -0.44 0.00 0.00 62.40 62.74 1ttv h SER 32 CO -0.18 -0.01 0.54 -0.07 -0.53 0.00 0.00 176.83 176.59 1ttv h LEU 33 N 0.38 0.79 -0.27 2.23 3.38 -1.34 0.21 115.31 120.68 1ttv h LEU 33 Ca 0.54 0.05 -0.17 0.00 0.09 0.00 0.00 57.88 58.38 1ttv h LEU 33 Cb 1.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1ttv h LEU 33 CO -0.53 0.44 -0.50 -0.07 0.09 0.00 0.00 178.44 177.87 1ttv h LEU 34 N 0.89 0.91 -1.15 1.67 3.38 0.14 0.90 115.31 122.05 1ttv h LEU 34 Ca 0.44 -0.53 0.12 0.00 0.09 0.00 0.00 57.88 57.99 1ttv h LEU 34 Cb 0.40 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 1ttv h LEU 34 CO -0.25 1.27 0.60 0.11 0.09 0.00 0.00 178.44 180.26 1ttv h LYS 35 N 0.59 0.86 0.00 1.13 1.79 0.12 0.54 116.57 121.60 1ttv h LYS 35 Ca 0.02 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.43 1ttv h LYS 35 Cb 1.10 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.56 1ttv h LYS 35 CO 0.11 0.57 -0.74 0.77 -1.08 0.00 0.00 179.45 179.08 1ttv h SER 36 N 0.89 0.00 -0.20 0.86 0.02 -0.54 -3.29 113.55 111.28 1ttv h SER 36 Ca 0.45 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.38 1ttv h SER 36 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1ttv h SER 36 CO -0.22 0.01 0.00 0.00 -1.14 0.00 0.00 176.83 175.48 1ttv n ALA 37 N -2.12 2.49 -0.38 3.77 0.00 0.30 -4.85 120.51 119.72 1ttv n ALA 37 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1ttv n ALA 37 Cb 0.53 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1ttv n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ttv n GLY 38 N 0.95 1.16 3.55 0.00 0.00 -0.66 -4.85 105.19 105.33 1ttv n GLY 38 Ca 0.11 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1ttv n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ttv s ALA 39 N -2.12 2.87 0.04 4.61 0.00 0.17 -4.98 121.76 122.35 1ttv s ALA 39 Ca 0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 51.96 50.76 1ttv s ALA 39 Cb 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 23.12 22.22 1ttv s ALA 39 CO 0.00 0.62 -0.02 0.94 0.00 0.00 0.00 175.76 177.30 1ttv n GLN 40 N 1.09 0.03 -0.39 0.00 0.00 -1.26 -4.30 117.38 112.55 1ttv n GLN 40 Ca -0.15 0.01 -0.23 0.00 -0.00 0.00 0.00 57.00 56.64 1ttv n GLN 40 Cb 0.52 -0.35 0.21 0.00 0.00 0.00 0.00 30.24 30.62 1ttv n GLN 40 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1ttv n LYS 41 N -3.12 -3.45 -0.09 3.69 0.00 -1.26 -4.97 118.16 108.96 1ttv n LYS 41 Ca -0.01 -1.02 -0.09 0.00 -0.00 0.00 0.00 58.31 57.19 1ttv n LYS 41 Cb 0.03 -1.68 -0.16 0.00 -0.00 0.00 0.00 35.03 33.22 1ttv n LYS 41 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1ttv n GLU 42 N -3.61 0.68 -4.09 -1.58 0.28 -1.26 -4.96 120.64 106.10 1ttv n GLU 42 Ca 0.09 0.01 -0.29 0.00 -0.16 0.00 0.00 57.16 56.82 1ttv n GLU 42 Cb 0.45 -1.54 -0.07 0.00 1.43 0.00 0.00 31.44 31.71 1ttv n GLU 42 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1ttv s THR 43 N -2.52 4.34 -0.09 3.84 2.01 -1.26 -4.45 115.64 117.50 1ttv s THR 43 Ca -0.10 -0.97 -0.15 0.00 0.31 0.00 0.00 61.69 60.78 1ttv s THR 43 Cb 0.06 -3.14 0.03 0.00 0.01 0.00 0.00 72.50 69.47 1ttv s THR 43 CO 0.83 0.03 0.37 -0.36 -0.69 0.00 0.00 174.62 174.80 1ttv s PHE 44 N -1.52 -0.34 0.39 4.92 0.40 -0.51 -4.97 117.98 116.35 1ttv s PHE 44 Ca 0.29 0.73 -0.24 0.00 -0.60 0.00 0.00 56.93 57.11 1ttv s PHE 44 Cb -0.11 0.14 -0.10 0.00 0.51 0.00 0.00 43.02 43.46 1ttv s PHE 44 CO 0.21 -0.30 0.99 0.95 0.70 0.00 0.00 175.22 177.77 1ttv s THR 45 N -0.48 4.07 0.48 0.64 -4.23 -1.26 0.68 115.64 115.53 1ttv s THR 45 Ca -0.06 1.53 0.40 0.00 -1.18 0.00 0.00 61.69 62.38 1ttv s THR 45 Cb -0.04 -3.76 0.60 0.00 1.34 0.00 0.00 72.50 70.64 1ttv s THR 45 CO 0.02 -0.04 1.51 0.80 -0.54 0.00 0.00 174.62 176.37 1ttv n MET 46 N -0.04 -0.02 -0.06 3.99 1.56 -1.26 0.12 117.12 121.41 1ttv n MET 46 Ca 0.05 1.13 -0.13 0.00 -0.27 0.00 0.00 57.70 58.48 1ttv n MET 46 Cb 0.51 -2.40 -0.07 0.00 2.15 0.00 0.00 33.22 33.41 1ttv n MET 46 CO 0.00 0.00 0.00 -0.22 -0.73 0.00 0.00 175.97 175.02 1ttv h LYS 47 N 0.00 0.44 -0.08 2.12 1.63 -1.94 -1.70 116.57 117.04 1ttv h LYS 47 Ca 0.88 -0.25 -0.04 0.00 -0.85 0.00 0.00 60.65 60.40 1ttv h LYS 47 Cb 3.19 0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 34.83 1ttv h LYS 47 CO -0.24 0.82 -0.09 0.93 -3.45 0.00 0.00 179.45 177.42 1ttv h GLU 48 N 0.09 0.20 0.32 1.90 4.39 0.59 -2.03 114.58 120.04 1ttv h GLU 48 Ca 0.02 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1ttv h GLU 48 Cb 0.75 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.38 1ttv h GLU 48 CO 0.05 0.64 -0.44 0.28 -1.16 0.00 0.00 179.01 178.38 1ttv h VAL 49 N -0.23 0.00 -0.07 3.13 2.07 -0.89 -0.27 116.25 119.99 1ttv h VAL 49 Ca 0.01 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1ttv h VAL 49 Cb 0.61 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1ttv h VAL 49 CO 0.02 0.00 0.16 0.25 0.02 0.00 0.00 177.57 178.02 1ttv h LEU 50 N -0.79 0.00 0.22 2.57 6.46 -1.40 -2.31 115.31 120.06 1ttv h LEU 50 Ca -0.04 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1ttv h LEU 50 Cb 0.71 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 1ttv h LEU 50 CO -0.12 0.00 -0.11 0.22 -0.62 0.00 0.00 178.44 177.82 1ttv h TYR 51 N 0.00 -0.27 -0.71 1.25 3.20 -0.36 -3.20 116.97 116.88 1ttv h TYR 51 Ca 0.03 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.98 1ttv h TYR 51 Cb 0.36 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.65 1ttv h TYR 51 CO 0.00 -0.01 0.37 0.45 -1.64 0.00 0.00 178.16 177.32 1ttv h HIS 52 N -1.02 0.66 -0.73 -3.82 -0.00 -0.79 -1.89 115.15 107.56 1ttv h HIS 52 Ca -0.03 0.03 0.15 0.00 -0.00 0.00 0.00 60.37 60.52 1ttv h HIS 52 Cb 0.38 -0.19 -0.13 0.00 -0.00 0.00 0.00 27.41 27.46 1ttv h HIS 52 CO 0.04 0.27 -0.12 -0.07 -0.00 0.00 0.00 177.93 178.04 1ttv h LEU 53 N 0.64 -0.57 -0.97 2.43 4.07 -1.53 1.37 115.31 120.74 1ttv h LEU 53 Ca 0.34 0.21 0.10 0.00 0.08 0.00 0.00 57.88 58.61 1ttv h LEU 53 Cb 0.31 0.41 -0.08 0.00 1.08 0.00 0.00 40.66 42.39 1ttv h LEU 53 CO -0.24 -0.22 0.61 1.23 -1.08 0.00 0.00 178.44 178.74 1ttv h GLY 54 N 0.03 1.55 2.00 0.83 0.00 -1.33 0.94 103.07 107.09 1ttv h GLY 54 Ca 0.36 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 47.11 1ttv h GLY 54 CO -0.72 0.21 -0.76 1.46 0.00 0.00 0.00 176.54 176.73 1ttv h GLN 55 N 1.02 0.00 -0.01 4.80 4.20 -0.05 -3.10 115.11 121.96 1ttv h GLN 55 Ca 0.46 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.17 1ttv h GLN 55 Cb 0.38 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1ttv h GLN 55 CO -0.24 0.76 0.00 -0.92 -0.67 0.00 0.00 178.83 177.76 1ttv h TYR 56 N 0.00 0.02 0.39 2.96 3.20 0.34 -1.28 116.97 122.61 1ttv h TYR 56 Ca -0.01 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1ttv h TYR 56 Cb 1.48 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.75 1ttv h TYR 56 CO 0.00 0.31 -0.23 0.82 -1.64 0.00 0.00 178.16 177.42 1ttv h ILE 57 N -0.28 0.53 -0.34 1.81 2.04 -0.98 0.14 117.51 120.43 1ttv h ILE 57 Ca 0.00 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.94 1ttv h ILE 57 Cb 0.30 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1ttv h ILE 57 CO 0.00 0.00 0.24 0.00 0.00 0.00 0.00 178.15 178.39 1ttv h MET 58 N -0.59 0.13 0.34 2.37 -0.00 -1.59 0.61 114.93 116.21 1ttv h MET 58 Ca -0.05 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.70 59.63 1ttv h MET 58 Cb 0.47 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.05 1ttv h MET 58 CO 0.06 0.09 -0.17 0.00 -0.00 0.00 0.00 176.91 176.89 1ttv h ALA 59 N 1.82 -0.46 0.00 -3.00 0.00 -0.60 -3.22 119.26 113.80 1ttv h ALA 59 Ca 0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ttv h ALA 59 Cb 0.45 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1ttv h ALA 59 CO -0.02 -0.46 -0.05 0.87 0.00 0.00 0.00 179.25 179.59 1ttv h LYS 60 N -1.07 0.00 -4.36 0.00 6.56 -0.44 -3.47 116.57 113.80 1ttv h LYS 60 Ca -0.05 0.00 -0.07 0.00 -1.06 0.00 0.00 60.65 59.47 1ttv h LYS 60 Cb 0.44 0.00 0.05 0.00 -0.57 0.00 0.00 32.23 32.16 1ttv h LYS 60 CO 0.08 0.05 -0.23 0.94 -2.06 0.00 0.00 179.45 178.22 1ttv n GLN 61 N -3.40 -1.00 -0.20 3.15 -0.06 0.21 -4.97 117.38 111.11 1ttv n GLN 61 Ca -0.02 0.79 0.08 0.00 -2.00 0.00 0.00 57.00 55.85 1ttv n GLN 61 Cb 0.18 -3.92 0.19 0.00 -4.06 0.00 0.00 30.24 22.63 1ttv n GLN 61 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1ttv n LEU 62 N -1.94 3.13 -4.92 1.69 4.77 -1.11 -4.99 117.00 113.64 1ttv n LEU 62 Ca -0.02 -1.82 -0.27 0.00 -0.03 0.00 0.00 56.01 53.87 1ttv n LEU 62 Cb 0.53 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1ttv n LEU 62 CO 0.31 0.75 0.24 -0.72 -1.33 0.00 0.00 177.39 176.64 1ttv s TYR 63 N -1.06 3.50 0.18 -1.77 -0.85 -1.26 -2.40 117.35 113.70 1ttv s TYR 63 Ca 0.30 0.57 -0.19 0.00 -0.52 0.00 0.00 57.07 57.23 1ttv s TYR 63 Cb 0.16 -2.06 -0.08 0.00 0.38 0.00 0.00 41.96 40.36 1ttv s TYR 63 CO 0.22 0.08 0.68 0.34 -1.52 0.00 0.00 175.55 175.34 1ttv s ASP 64 N -3.64 7.05 0.05 -0.18 2.15 -0.05 -4.90 116.67 117.16 1ttv s ASP 64 Ca 0.43 1.36 -0.31 0.00 0.43 0.00 0.00 52.55 54.46 1ttv s ASP 64 Cb -0.10 -2.40 -0.18 0.00 -0.30 0.00 0.00 42.92 39.94 1ttv s ASP 64 CO 0.35 0.10 1.48 -0.08 -0.17 0.00 0.00 175.17 176.84 1ttv h GLU 65 N 3.70 -0.82 -0.07 4.34 4.22 -1.98 -3.21 114.58 120.77 1ttv h GLU 65 Ca -0.48 0.06 0.04 0.00 0.08 0.00 0.00 59.36 59.05 1ttv h GLU 65 Cb 1.20 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.59 1ttv h GLU 65 CO 0.65 -0.51 -0.21 0.87 -2.18 0.00 0.00 179.01 177.63 1ttv h LYS 66 N -0.95 -0.29 -5.13 1.92 6.56 -1.99 -3.39 116.57 113.30 1ttv h LYS 66 Ca -0.09 0.02 -0.67 0.00 -1.06 0.00 0.00 60.65 58.86 1ttv h LYS 66 Cb 0.68 0.06 -0.31 0.00 -0.57 0.00 0.00 32.23 32.09 1ttv h LYS 66 CO 0.14 -0.19 -0.81 1.14 -2.06 0.00 0.00 179.45 177.67 1ttv s GLN 67 N -6.10 3.18 0.24 3.15 0.00 -1.21 -4.99 119.66 113.93 1ttv s GLN 67 Ca -0.15 -0.75 0.25 0.00 -0.00 0.00 0.00 55.36 54.71 1ttv s GLN 67 Cb 0.10 -2.66 0.57 0.00 0.00 0.00 0.00 33.01 31.02 1ttv s GLN 67 CO 0.67 -0.07 1.61 1.96 0.00 0.00 0.00 175.29 179.46 1ttv h GLN 68 N 7.58 0.00 -0.28 9.60 7.50 -1.77 -3.02 115.11 134.73 1ttv h GLN 68 Ca -0.37 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.78 1ttv h GLN 68 Cb 1.17 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.70 1ttv h GLN 68 CO 0.59 0.00 0.00 -2.39 -1.50 0.00 0.00 178.83 175.53 1ttv n HIS 69 N -2.43 0.37 -5.20 2.96 1.44 -1.26 -4.73 115.22 106.37 1ttv n HIS 69 Ca 0.04 -0.19 -0.32 0.00 -2.01 0.00 0.00 57.72 55.25 1ttv n HIS 69 Cb 0.46 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.41 1ttv n HIS 69 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1ttv s ILE 70 N -1.63 2.16 -0.25 0.61 -1.09 -1.21 -2.05 121.20 117.74 1ttv s ILE 70 Ca 0.23 -1.00 0.00 0.00 -2.23 0.00 0.00 60.65 57.65 1ttv s ILE 70 Cb 0.12 -1.81 0.07 0.00 -1.58 0.00 0.00 42.46 39.26 1ttv s ILE 70 CO 0.17 0.56 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.74 1ttv s VAL 71 N 0.09 1.40 -0.34 2.92 1.01 -1.13 -0.87 120.40 123.49 1ttv s VAL 71 Ca -0.11 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 60.59 1ttv s VAL 71 Cb -0.16 -1.78 0.10 0.00 0.00 0.00 0.00 36.38 34.54 1ttv s VAL 71 CO 0.06 -0.25 0.10 -1.38 0.00 0.00 0.00 175.10 173.63 1ttv s HIS 72 N 1.43 2.48 -0.28 5.22 -3.43 -1.01 -1.23 115.29 118.46 1ttv s HIS 72 Ca -0.01 -2.27 -0.00 0.00 -0.80 0.00 0.00 55.06 51.97 1ttv s HIS 72 Cb -0.18 -2.18 0.09 0.00 -1.43 0.00 0.00 32.58 28.88 1ttv s HIS 72 CO -0.09 -0.89 0.06 0.00 -2.00 0.00 0.00 174.74 171.82 1ttv h SER 74 N 8.05 0.22 -3.75 0.00 0.02 -1.89 -3.36 113.55 112.85 1ttv h SER 74 Ca -0.14 -0.27 -0.77 0.00 -0.84 0.00 0.00 61.79 59.78 1ttv h SER 74 Cb 1.04 -0.06 -0.28 0.00 0.14 0.00 0.00 62.40 63.25 1ttv h SER 74 CO 0.44 0.43 -0.06 0.21 -1.14 0.00 0.00 176.83 176.72 1ttv s ASN 75 N -5.68 6.36 -0.22 3.07 3.84 -1.26 -4.67 114.94 116.38 1ttv s ASN 75 Ca -0.14 -2.55 -0.27 0.00 0.21 0.00 0.00 52.86 50.11 1ttv s ASN 75 Cb 0.06 -2.14 0.08 0.00 -0.55 0.00 0.00 41.25 38.71 1ttv s ASN 75 CO 0.71 -0.58 0.79 -0.62 -2.79 0.00 0.00 177.10 174.61 1ttv s ASP 76 N 2.13 -0.64 0.54 -4.21 2.15 -1.26 -5.03 116.67 110.35 1ttv s ASP 76 Ca 0.15 1.11 0.29 0.00 0.43 0.00 0.00 52.55 54.53 1ttv s ASP 76 Cb -0.16 1.08 1.45 0.00 -0.30 0.00 0.00 42.92 44.99 1ttv s ASP 76 CO -0.06 -0.31 1.94 -0.65 -0.17 0.00 0.00 175.17 175.92 1ttv h PRO 77 N 4.26 0.00 0.21 4.34 0.11 -1.93 0.14 132.00 139.13 1ttv h PRO 77 Ca -0.28 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 1ttv h PRO 77 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ttv h PRO 77 CO 0.15 0.00 -0.10 1.25 -0.21 0.00 0.00 178.00 179.09 1ttv h LEU 78 N 0.00 -0.24 -2.00 2.35 5.85 -1.95 -0.64 115.31 118.67 1ttv h LEU 78 Ca 0.35 0.01 0.15 0.00 0.84 0.00 0.00 57.88 59.22 1ttv h LEU 78 Cb 1.41 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.48 1ttv h LEU 78 CO -0.00 -0.09 0.37 1.23 -0.34 0.00 0.00 178.44 179.60 1ttv h GLY 79 N -0.45 0.00 2.00 3.75 0.00 -1.66 0.37 103.07 107.09 1ttv h GLY 79 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.17 1ttv h GLY 79 CO 0.05 0.00 -0.65 -2.09 0.00 0.00 0.00 176.54 173.85 1ttv h GLU 80 N 0.00 0.00 0.20 4.80 4.57 -0.73 0.66 114.58 124.08 1ttv h GLU 80 Ca 0.24 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 1ttv h GLU 80 Cb 0.97 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 1ttv h GLU 80 CO -0.00 0.65 -0.09 1.25 -1.18 0.00 0.00 179.01 179.63 1ttv h LEU 81 N 0.00 -0.22 -1.91 1.64 5.85 0.13 -3.31 115.31 117.49 1ttv h LEU 81 Ca -0.01 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1ttv h LEU 81 Cb 1.16 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1ttv h LEU 81 CO 0.08 0.17 -0.12 -0.26 -0.34 0.00 0.00 178.44 177.98 1ttv h PHE 82 N -0.93 0.00 -0.51 1.25 0.04 -1.33 -3.47 116.94 111.99 1ttv h PHE 82 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1ttv h PHE 82 Cb 0.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1ttv h PHE 82 CO 0.01 0.12 0.00 0.41 -0.60 0.00 0.00 178.31 178.25 1ttv n GLY 83 N -0.94 0.84 3.03 -1.45 0.00 0.09 -5.06 105.19 101.71 1ttv n GLY 83 Ca -0.02 -0.64 -0.08 0.00 0.00 0.00 0.00 46.02 45.28 1ttv n GLY 83 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ttv s VAL 84 N -2.51 0.19 -0.05 1.61 -7.23 -0.43 -5.02 120.40 106.96 1ttv s VAL 84 Ca 0.00 -1.30 0.13 0.00 -1.81 0.00 0.00 61.98 59.00 1ttv s VAL 84 Cb 0.00 -0.81 -0.20 0.00 0.56 0.00 0.00 36.38 35.93 1ttv s VAL 84 CO 0.00 -0.70 0.75 -0.61 -0.31 0.00 0.00 175.10 174.23 1ttv h GLN 85 N 4.01 0.00 -3.35 4.82 4.15 -1.86 -3.40 115.11 119.48 1ttv h GLN 85 Ca -0.33 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 58.97 1ttv h GLN 85 Cb 1.18 0.00 -0.19 0.00 0.21 0.00 0.00 27.48 28.68 1ttv h GLN 85 CO 0.51 0.47 -0.37 -1.83 -1.93 0.00 0.00 178.83 175.69 1ttv s GLU 86 N -2.69 0.64 -0.30 1.69 -1.05 -1.26 -1.34 118.70 114.40 1ttv s GLU 86 Ca -0.04 -0.42 -0.12 0.00 -0.15 0.00 0.00 54.97 54.24 1ttv s GLU 86 Cb 0.08 0.27 0.12 0.00 -0.44 0.00 0.00 34.13 34.17 1ttv s GLU 86 CO 0.82 -0.18 0.72 -0.59 0.95 0.00 0.00 175.26 176.98 1ttv s PHE 87 N -1.86 -1.17 -0.28 4.83 -0.71 -0.37 -4.98 117.98 113.44 1ttv s PHE 87 Ca -0.10 2.09 -0.27 0.00 -1.04 0.00 0.00 56.93 57.60 1ttv s PHE 87 Cb -0.04 0.70 0.01 0.00 -1.21 0.00 0.00 43.02 42.48 1ttv s PHE 87 CO 0.00 -0.58 0.98 0.45 -1.34 0.00 0.00 175.22 174.74 1ttv s SER 88 N 2.50 6.92 0.51 1.98 0.15 -1.26 -2.82 113.70 121.67 1ttv s SER 88 Ca -0.07 1.07 0.34 0.00 0.70 0.00 0.00 55.95 57.99 1ttv s SER 88 Cb -0.09 -2.50 1.84 0.00 -1.71 0.00 0.00 66.02 63.56 1ttv s SER 88 CO -0.19 -0.73 2.04 -0.37 1.20 0.00 0.00 173.24 175.20 1ttv h VAL 89 N 5.59 0.00 -0.72 4.45 -1.51 -1.81 -2.43 116.25 119.83 1ttv h VAL 89 Ca -0.21 -0.01 0.21 0.00 -1.23 0.00 0.00 66.70 65.46 1ttv h VAL 89 Cb 1.07 0.77 -0.03 0.00 -2.13 0.00 0.00 31.29 30.98 1ttv h VAL 89 CO 0.97 0.00 0.61 0.50 -1.23 0.00 0.00 177.57 178.42 1ttv h LYS 90 N 0.00 0.00 -3.76 5.19 1.63 -1.91 -3.16 116.57 114.56 1ttv h LYS 90 Ca 0.00 0.00 -0.79 0.00 -0.85 0.00 0.00 60.65 59.01 1ttv h LYS 90 Cb 0.01 0.00 -0.26 0.00 -0.60 0.00 0.00 32.23 31.38 1ttv h LYS 90 CO 0.00 0.00 0.45 -1.21 -3.45 0.00 0.00 179.45 175.24 1ttv s GLU 91 N -4.80 4.04 0.54 1.90 2.02 -0.92 -4.86 118.70 116.62 1ttv s GLU 91 Ca -0.05 -2.95 0.22 0.00 0.02 0.00 0.00 54.97 52.21 1ttv s GLU 91 Cb 0.19 -4.58 1.40 0.00 0.10 0.00 0.00 34.13 31.24 1ttv s GLU 91 CO 0.66 -1.31 2.09 0.45 0.02 0.00 0.00 175.26 177.18 1ttv h HIS 92 N 7.03 0.00 -0.71 1.61 3.86 -1.85 -1.62 115.15 123.48 1ttv h HIS 92 Ca 0.17 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.35 1ttv h HIS 92 Cb 0.92 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.36 1ttv h HIS 92 CO 0.86 0.00 0.31 -0.09 0.86 0.00 0.00 177.93 179.87 1ttv h ARG 93 N 0.00 1.04 0.07 2.45 1.12 -1.91 -1.58 114.38 115.57 1ttv h ARG 93 Ca 0.10 -0.17 -0.00 0.00 -1.11 0.00 0.00 59.98 58.79 1ttv h ARG 93 Cb 0.43 -0.18 0.00 0.00 -0.01 0.00 0.00 29.97 30.21 1ttv h ARG 93 CO -0.00 0.84 -0.03 0.00 -3.11 0.00 0.00 179.97 177.67 1ttv h ARG 94 N 1.00 -0.09 0.67 0.20 3.08 -1.69 -2.58 114.38 114.96 1ttv h ARG 94 Ca 0.24 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 1ttv h ARG 94 Cb 0.17 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1ttv h ARG 94 CO -0.02 0.19 -0.46 0.82 -1.07 0.00 0.00 179.97 179.42 1ttv h ILE 95 N -0.37 0.00 -0.57 2.04 2.04 -1.46 0.29 117.51 119.49 1ttv h ILE 95 Ca -0.01 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.02 1ttv h ILE 95 Cb 0.32 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1ttv h ILE 95 CO 0.02 0.00 0.62 0.22 0.00 0.00 0.00 178.15 179.00 1ttv h TYR 96 N -1.07 0.00 0.00 1.37 5.03 -1.37 -0.05 116.97 120.87 1ttv h TYR 96 Ca -0.09 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.22 1ttv h TYR 96 Cb 0.87 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.15 1ttv h TYR 96 CO -0.13 0.00 -0.05 0.00 -1.32 0.00 0.00 178.16 176.66 1ttv h ALA 97 N 1.30 0.01 -0.99 1.82 0.00 -0.93 -2.69 119.26 117.78 1ttv h ALA 97 Ca 0.27 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1ttv h ALA 97 Cb 1.50 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.27 1ttv h ALA 97 CO -0.00 0.04 0.64 0.00 0.00 0.00 0.00 179.25 179.93 1ttv h MET 98 N -1.00 1.11 -0.14 0.00 -0.00 -0.18 -1.12 114.93 113.60 1ttv h MET 98 Ca -0.01 -0.07 -0.13 0.00 -0.00 0.00 0.00 59.70 59.50 1ttv h MET 98 Cb 0.36 -0.25 -0.01 0.00 -0.00 0.00 0.00 31.60 31.70 1ttv h MET 98 CO -0.00 0.73 -0.48 -0.84 -0.00 0.00 0.00 176.91 176.32 1ttv h ILE 99 N 1.14 1.33 -0.34 -0.10 -0.00 -1.19 -2.79 117.51 115.57 1ttv h ILE 99 Ca 0.43 -1.69 -0.00 0.00 -0.00 0.00 0.00 64.86 63.59 1ttv h ILE 99 Cb 0.20 1.75 -0.02 0.00 -0.00 0.00 0.00 36.82 38.75 1ttv h ILE 99 CO -0.17 0.51 0.19 0.28 -0.00 0.00 0.00 178.15 178.96 1ttv h SER 100 N 0.28 0.40 1.44 2.16 0.02 -0.86 -0.24 113.55 116.76 1ttv h SER 100 Ca 0.02 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1ttv h SER 100 Cb 0.95 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.38 1ttv h SER 100 CO 0.08 0.32 -0.14 0.03 -1.14 0.00 0.00 176.83 175.98 1ttv h ARG 101 N 0.47 0.00 0.00 3.45 3.08 -1.17 -2.96 114.38 117.25 1ttv h ARG 101 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1ttv h ARG 101 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1ttv h ARG 101 CO -0.02 0.14 0.00 0.09 -1.07 0.00 0.00 179.97 179.11 1ttv n ASN 102 N -3.18 0.00 -4.84 7.04 5.03 -0.11 -4.78 115.26 114.43 1ttv n ASN 102 Ca 0.02 -0.78 -0.37 0.00 0.87 0.00 0.00 54.58 54.32 1ttv n ASN 102 Cb 0.49 -0.05 -0.06 0.00 -1.02 0.00 0.00 39.78 39.14 1ttv n ASN 102 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ttv s LEU 103 N -2.09 4.37 -0.20 3.41 1.43 -1.12 -0.24 118.68 124.24 1ttv s LEU 103 Ca 0.41 0.53 -0.21 0.00 -1.03 0.00 0.00 54.13 53.83 1ttv s LEU 103 Cb 0.20 -2.20 -0.20 0.00 0.03 0.00 0.00 46.19 44.02 1ttv s LEU 103 CO 0.35 0.33 0.25 -0.37 0.23 0.00 0.00 176.35 177.14 1ttv h VAL 104 N 4.09 0.92 -3.37 -1.59 -1.51 -1.11 -3.47 116.25 110.21 1ttv h VAL 104 Ca -0.51 -2.20 -0.64 0.00 -1.23 0.00 0.00 66.70 62.12 1ttv h VAL 104 Cb 1.21 2.28 -0.21 0.00 -2.13 0.00 0.00 31.29 32.44 1ttv h VAL 104 CO 0.63 0.37 -0.65 -0.55 -1.23 0.00 0.00 177.57 176.14 1ttv s SER 105 N -6.86 4.95 -0.32 4.19 0.15 -1.26 -4.99 113.70 109.57 1ttv s SER 105 Ca -0.28 -0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.21 1ttv s SER 105 Cb 0.06 -1.83 0.05 0.00 -1.71 0.00 0.00 66.02 62.58 1ttv s SER 105 CO 0.61 0.12 0.04 0.00 1.20 0.00 0.00 173.24 175.21 1ttv s ALA 106 N 0.67 2.89 -0.49 5.45 0.00 -1.26 -2.19 121.76 126.83 1ttv s ALA 106 Ca -0.00 -1.79 -0.27 0.00 0.00 0.00 0.00 51.96 49.90 1ttv s ALA 106 Cb -0.14 -2.05 -0.08 0.00 0.00 0.00 0.00 23.12 20.85 1ttv s ALA 106 CO 0.02 -1.31 2.41 -1.71 0.00 0.00 0.00 175.76 175.17 1ttv n ASN 107 N 4.67 2.28 -4.75 0.00 2.85 -1.18 -4.91 115.26 114.23 1ttv n ASN 107 Ca -0.13 -0.32 -0.35 0.00 -0.11 0.00 0.00 54.58 53.67 1ttv n ASN 107 Cb 0.44 -1.52 0.05 0.00 1.24 0.00 0.00 39.78 39.99 1ttv n ASN 107 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1ttv s VAL 108 N 11.26 2.67 0.25 3.44 -7.23 -1.26 -4.71 120.40 124.83 1ttv s VAL 108 Ca 1.02 0.38 -0.30 0.00 -1.81 0.00 0.00 61.98 61.27 1ttv s VAL 108 Cb -0.31 -3.04 -0.09 0.00 0.56 0.00 0.00 36.38 33.50 1ttv s VAL 108 CO 0.30 -0.13 1.11 -1.59 -0.31 0.00 0.00 175.10 174.48 1ttv s LYS 109 N -3.60 4.62 -0.99 4.82 -2.85 -1.26 -4.92 119.74 115.55 1ttv s LYS 109 Ca 0.75 1.80 -0.24 0.00 -1.00 0.00 0.00 55.97 57.28 1ttv s LYS 109 Cb -0.28 -3.21 -0.02 0.00 -2.06 0.00 0.00 37.83 32.25 1ttv s LYS 109 CO 0.37 0.15 1.82 -1.21 0.10 0.00 0.00 175.35 176.58 1ttv s GLU 110 N -1.10 2.87 -0.01 1.78 2.02 -1.26 -4.95 118.70 118.05 1ttv s GLU 110 Ca 0.46 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.75 1ttv s GLU 110 Cb -0.32 -5.19 -0.04 0.00 0.10 0.00 0.00 34.13 28.69 1ttv s GLU 110 CO 0.39 -3.13 0.05 -1.54 0.02 0.00 0.00 175.26 171.06 1ttv s SER 111 N 6.88 5.48 -0.42 -0.19 1.04 -1.26 -5.09 113.70 120.14 1ttv s SER 111 Ca 0.63 0.10 -0.08 0.00 0.48 0.00 0.00 55.95 57.08 1ttv s SER 111 Cb -0.04 -1.53 0.09 0.00 0.10 0.00 0.00 66.02 64.64 1ttv s SER 111 CO -0.00 0.28 0.26 -0.55 0.98 0.00 0.00 173.24 174.20 1ttv s SER 112 N -1.64 5.56 1.18 7.02 0.15 -1.26 -5.09 113.70 119.62 1ttv s SER 112 Ca 0.21 -1.67 -0.16 0.00 0.70 0.00 0.00 55.95 55.03 1ttv s SER 112 Cb -0.12 -1.95 0.28 0.00 -1.71 0.00 0.00 66.02 62.52 1ttv s SER 112 CO 0.12 -0.56 1.05 -1.61 1.20 0.00 0.00 173.24 173.44 1ttv s GLU 113 N 1.36 -1.06 0.29 5.44 2.02 -1.26 -5.03 118.70 120.45 1ttv s GLU 113 Ca 0.04 0.33 -0.02 0.00 0.02 0.00 0.00 54.97 55.34 1ttv s GLU 113 Cb -0.24 -1.58 -0.04 0.00 0.10 0.00 0.00 34.13 32.37 1ttv s GLU 113 CO 0.00 -3.69 0.52 0.16 0.02 0.00 0.00 175.26 172.27 1ttv s ASP 114 N -3.31 6.38 -0.41 -0.19 -4.77 -1.26 -5.07 116.67 108.04 1ttv s ASP 114 Ca 0.68 0.56 -0.05 0.00 -3.30 0.00 0.00 52.55 50.44 1ttv s ASP 114 Cb -0.17 -2.08 0.10 0.00 -1.09 0.00 0.00 42.92 39.68 1ttv s ASP 114 CO 0.59 -0.20 0.21 -0.63 0.70 0.00 0.00 175.17 175.84 1ttv s ILE 115 N -2.13 3.61 -0.43 2.11 1.01 -1.26 -4.94 121.20 119.17 1ttv s ILE 115 Ca 0.41 -1.78 0.03 0.00 0.00 0.00 0.00 60.65 59.32 1ttv s ILE 115 Cb -0.10 -3.35 0.60 0.00 0.01 0.00 0.00 42.46 39.62 1ttv s ILE 115 CO 0.32 -0.59 1.87 0.49 0.00 0.00 0.00 174.94 177.03 1ttv n PHE 116 N 4.72 2.87 0.00 3.97 3.72 -1.26 -4.72 117.46 126.76 1ttv n PHE 116 Ca -0.06 -1.85 0.00 0.00 -0.05 0.00 0.00 57.45 55.49 1ttv n PHE 116 Cb 0.42 -0.94 0.00 0.00 -0.94 0.00 0.00 39.48 38.02 1ttv n PHE 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ttv n GLY 117 N -1.01 1.73 3.12 1.37 0.00 -1.26 -5.09 105.19 104.06 1ttv n GLY 117 Ca 0.56 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.21 1ttv n GLY 117 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ttv s ASN 118 N -2.00 5.32 0.00 1.61 3.84 -1.26 -5.32 114.94 117.13 1ttv s ASN 118 Ca 0.00 -2.34 0.00 0.00 0.21 0.00 0.00 52.86 50.73 1ttv s ASN 118 Cb 0.00 -1.87 0.00 0.00 -0.55 0.00 0.00 41.25 38.83 1ttv s ASN 118 CO 0.00 -0.49 0.14 1.33 -2.79 0.00 0.00 177.10 175.28