#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 3.47 -0.15 -2.53 3.76 -1.26 -5.02 115.29 113.55 1ttv s HIS 14 Ca 0.00 0.96 -0.20 0.00 -0.15 0.00 0.00 55.06 55.67 1ttv s HIS 14 Cb 0.00 -2.37 -0.24 0.00 1.11 0.00 0.00 32.58 31.09 1ttv s HIS 14 CO 0.00 -0.03 0.46 0.82 -0.85 0.00 0.00 174.74 175.14 1ttv h ILE 15 N 1.21 1.12 0.00 0.60 2.04 -1.96 -3.48 117.51 117.05 1ttv h ILE 15 Ca -0.47 -2.30 0.00 0.00 1.00 0.00 0.00 64.86 63.09 1ttv h ILE 15 Cb 1.19 2.65 0.00 0.00 -0.74 0.00 0.00 36.82 39.91 1ttv h ILE 15 CO 0.64 0.54 0.00 -1.20 0.00 0.00 0.00 178.15 178.13 1ttv n SER 16 N -4.24 0.00 0.00 1.72 7.64 -1.26 -2.97 113.62 114.51 1ttv n SER 16 Ca -0.25 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.63 1ttv n SER 16 Cb 0.74 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 1ttv n SER 16 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ttv n THR 17 N 0.00 0.00 -3.57 0.44 5.66 -1.26 -5.07 114.28 110.48 1ttv n THR 17 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 1ttv n THR 17 Cb 0.00 -0.01 -0.09 0.00 -1.55 0.00 0.00 70.33 68.68 1ttv n THR 17 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1ttv s SER 18 N -1.64 5.69 0.51 1.09 1.04 -1.16 -4.93 113.70 114.31 1ttv s SER 18 Ca 0.00 -1.63 0.22 0.00 0.48 0.00 0.00 55.95 55.01 1ttv s SER 18 Cb 0.00 -2.01 1.36 0.00 0.10 0.00 0.00 66.02 65.47 1ttv s SER 18 CO 0.00 -0.60 2.10 -2.24 0.98 0.00 0.00 173.24 173.48 1ttv h ASP 19 N 8.44 0.00 -2.89 7.02 3.04 -1.95 -3.41 116.42 126.68 1ttv h ASP 19 Ca -0.23 0.00 -0.56 0.00 -3.24 0.00 0.00 57.03 53.00 1ttv h ASP 19 Cb 1.08 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 39.34 1ttv h ASP 19 CO 0.80 0.10 0.90 -1.58 -2.04 0.00 0.00 179.24 177.42 1ttv s GLN 20 N -4.58 4.24 -0.02 4.15 0.74 -1.26 -4.84 119.66 118.09 1ttv s GLN 20 Ca -0.04 1.77 0.09 0.00 0.05 0.00 0.00 55.36 57.24 1ttv s GLN 20 Cb 0.15 -3.76 0.17 0.00 1.10 0.00 0.00 33.01 30.68 1ttv s GLN 20 CO 0.63 -0.68 1.09 0.39 -0.55 0.00 0.00 175.29 176.16 1ttv n GLU 21 N 6.40 0.12 -3.73 1.67 1.02 -1.26 -5.10 120.64 119.76 1ttv n GLU 21 Ca 0.14 -1.39 -0.13 0.00 -0.02 0.00 0.00 57.16 55.76 1ttv n GLU 21 Cb 0.45 0.28 -0.14 0.00 -0.02 0.00 0.00 31.44 32.01 1ttv n GLU 21 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1ttv s LYS 22 N -0.10 0.15 0.22 3.49 0.00 -1.26 -4.98 119.74 117.26 1ttv s LYS 22 Ca 0.12 0.47 0.11 0.00 0.00 0.00 0.00 55.97 56.66 1ttv s LYS 22 Cb 0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 37.83 37.79 1ttv s LYS 22 CO -0.06 -0.17 -0.20 -0.51 0.00 0.00 0.00 175.35 174.40 1ttv s LEU 23 N 1.29 2.51 0.25 2.77 1.43 -1.26 -4.37 118.68 121.29 1ttv s LEU 23 Ca -0.09 -0.94 0.11 0.00 -1.03 0.00 0.00 54.13 52.18 1ttv s LEU 23 Cb -0.11 -1.02 -0.05 0.00 0.03 0.00 0.00 46.19 45.04 1ttv s LEU 23 CO -0.07 0.03 -0.19 0.68 0.23 0.00 0.00 176.35 177.03 1ttv s VAL 24 N -2.20 2.24 -0.32 -1.59 -7.23 0.81 -0.27 120.40 111.84 1ttv s VAL 24 Ca 0.23 -2.32 0.03 0.00 -1.81 0.00 0.00 61.98 58.11 1ttv s VAL 24 Cb -0.06 -2.20 0.09 0.00 0.56 0.00 0.00 36.38 34.78 1ttv s VAL 24 CO 0.11 -0.44 0.04 -1.58 -0.31 0.00 0.00 175.10 172.92 1ttv s GLN 25 N -3.49 1.37 1.10 4.82 2.00 -0.65 -1.05 119.66 123.76 1ttv s GLN 25 Ca 0.27 -1.59 -0.12 0.00 -2.00 0.00 0.00 55.36 51.92 1ttv s GLN 25 Cb -0.04 -2.87 0.25 0.00 0.80 0.00 0.00 33.01 31.15 1ttv s GLN 25 CO 0.12 -0.90 1.05 -2.14 -0.50 0.00 0.00 175.29 172.93 1ttv s PRO 26 N 1.11 -0.42 0.59 1.67 0.02 -1.26 -0.84 135.00 135.87 1ttv s PRO 26 Ca 0.08 0.91 -0.11 0.00 0.02 0.00 0.00 61.00 61.90 1ttv s PRO 26 Cb -0.19 -1.61 -0.04 0.00 0.02 0.00 0.00 34.50 32.68 1ttv s PRO 26 CO -0.11 -3.41 0.99 0.95 -0.33 0.00 0.00 177.00 175.09 1ttv s THR 27 N -2.56 4.71 0.56 0.99 -4.23 -1.26 -4.60 115.64 109.25 1ttv s THR 27 Ca 0.68 0.84 0.39 0.00 -1.18 0.00 0.00 61.69 62.42 1ttv s THR 27 Cb -0.24 -3.85 0.59 0.00 1.34 0.00 0.00 72.50 70.34 1ttv s THR 27 CO 0.63 -1.06 1.71 1.55 -0.54 0.00 0.00 174.62 176.91 1ttv h PRO 28 N -0.10 0.00 0.09 3.99 0.13 -1.95 0.51 132.00 134.68 1ttv h PRO 28 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ttv h PRO 28 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ttv h PRO 28 CO 0.62 0.00 -0.05 1.25 -0.23 0.00 0.00 178.00 179.59 1ttv h LEU 29 N 0.00 -0.11 -1.32 1.56 5.85 -1.97 -3.10 115.31 116.22 1ttv h LEU 29 Ca 0.64 -0.35 0.08 0.00 0.84 0.00 0.00 57.88 59.10 1ttv h LEU 29 Cb 2.66 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 43.67 1ttv h LEU 29 CO -0.01 0.52 0.52 0.25 -0.34 0.00 0.00 178.44 179.38 1ttv h LEU 30 N -0.97 0.71 0.21 2.25 5.85 -1.31 -2.68 115.31 119.37 1ttv h LEU 30 Ca -0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ttv h LEU 30 Cb 0.45 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1ttv h LEU 30 CO 0.02 0.44 -0.45 -0.07 -0.34 0.00 0.00 178.44 178.04 1ttv h LEU 31 N 0.79 -1.32 -0.99 2.25 3.38 -0.16 -2.04 115.31 117.23 1ttv h LEU 31 Ca 0.36 0.13 0.27 0.00 0.09 0.00 0.00 57.88 58.73 1ttv h LEU 31 Cb 0.35 0.47 -0.13 0.00 0.09 0.00 0.00 40.66 41.44 1ttv h LEU 31 CO -0.13 -0.51 0.55 -1.28 0.09 0.00 0.00 178.44 177.15 1ttv h SER 32 N -0.72 0.55 -0.79 -0.43 0.87 -1.40 0.65 113.55 112.28 1ttv h SER 32 Ca -0.02 0.16 0.06 0.00 -1.23 0.00 0.00 61.79 60.76 1ttv h SER 32 Cb 0.69 0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 62.68 1ttv h SER 32 CO -0.18 -0.01 0.48 -0.07 -0.53 0.00 0.00 176.83 176.52 1ttv h LEU 33 N 0.45 0.74 -0.19 2.23 3.38 -1.28 -0.79 115.31 119.85 1ttv h LEU 33 Ca 0.67 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.58 1ttv h LEU 33 Cb 1.37 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1ttv h LEU 33 CO -0.54 0.47 -0.19 -0.07 0.09 0.00 0.00 178.44 178.21 1ttv h LEU 34 N 0.87 0.50 -1.18 1.67 3.38 0.50 0.37 115.31 121.42 1ttv h LEU 34 Ca 0.35 -0.48 0.28 0.00 0.09 0.00 0.00 57.88 58.12 1ttv h LEU 34 Cb 0.17 -0.14 -0.12 0.00 0.09 0.00 0.00 40.66 40.67 1ttv h LEU 34 CO -0.17 0.87 0.64 0.11 0.09 0.00 0.00 178.44 179.98 1ttv h LYS 35 N 0.14 0.42 0.00 1.13 1.79 0.47 0.46 116.57 120.98 1ttv h LYS 35 Ca 0.03 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 1ttv h LYS 35 Cb 0.73 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1ttv h LYS 35 CO 0.05 0.28 -1.26 0.45 -1.08 0.00 0.00 179.45 177.89 1ttv n SER 36 N -4.79 0.77 0.04 0.86 2.88 -0.39 -3.89 113.62 109.10 1ttv n SER 36 Ca 0.28 0.31 0.12 0.00 -1.33 0.00 0.00 58.87 58.25 1ttv n SER 36 Cb 0.88 0.48 0.49 0.00 -0.75 0.00 0.00 64.21 65.31 1ttv n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ttv n ALA 37 N -2.27 2.11 0.00 -1.46 0.00 0.14 -4.85 120.51 114.17 1ttv n ALA 37 Ca -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1ttv n ALA 37 Cb 0.67 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 0.98 1.21 3.71 0.00 0.00 -0.04 -4.82 105.19 106.23 1ttv n GLY 38 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 3.37 -0.02 4.61 0.00 -0.30 -5.00 121.76 122.43 1ttv s ALA 39 Ca 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1ttv s ALA 39 Cb 0.00 -1.33 0.04 0.00 0.00 0.00 0.00 23.12 21.82 1ttv s ALA 39 CO 0.00 0.69 0.92 0.94 0.00 0.00 0.00 175.76 178.31 1ttv n GLN 40 N 0.90 2.05 -4.35 0.00 7.27 -1.26 -4.57 117.38 117.43 1ttv n GLN 40 Ca -0.12 -1.41 -0.22 0.00 0.07 0.00 0.00 57.00 55.33 1ttv n GLN 40 Cb 0.52 -0.94 -0.08 0.00 2.41 0.00 0.00 30.24 32.15 1ttv n GLN 40 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1ttv s LYS 41 N -0.99 1.84 -0.14 3.69 0.00 -1.26 -5.07 119.74 117.82 1ttv s LYS 41 Ca 0.04 -2.09 0.17 0.00 0.00 0.00 0.00 55.97 54.09 1ttv s LYS 41 Cb 0.03 0.12 -0.25 0.00 0.00 0.00 0.00 37.83 37.74 1ttv s LYS 41 CO 0.00 -0.64 0.26 -0.85 0.00 0.00 0.00 175.35 174.13 1ttv n GLU 42 N -0.72 0.67 -4.87 1.78 0.00 -1.26 -4.92 120.64 111.32 1ttv n GLU 42 Ca 0.05 0.05 -0.33 0.00 0.00 0.00 0.00 57.16 56.93 1ttv n GLU 42 Cb 0.63 -1.59 -0.13 0.00 0.00 0.00 0.00 31.44 30.34 1ttv n GLU 42 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1ttv s THR 43 N -2.60 3.11 0.01 3.84 2.01 -1.26 -4.39 115.64 116.36 1ttv s THR 43 Ca -0.08 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.20 1ttv s THR 43 Cb 0.07 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.34 1ttv s THR 43 CO 0.83 0.59 0.02 -0.36 -0.69 0.00 0.00 174.62 175.01 1ttv s PHE 44 N -0.71 0.18 0.43 4.92 0.40 -0.22 -4.94 117.98 118.05 1ttv s PHE 44 Ca 0.11 -0.38 -0.22 0.00 -0.60 0.00 0.00 56.93 55.84 1ttv s PHE 44 Cb -0.11 -0.14 -0.10 0.00 0.51 0.00 0.00 43.02 43.19 1ttv s PHE 44 CO 0.01 -0.20 0.99 0.95 0.70 0.00 0.00 175.22 177.67 1ttv s THR 45 N -1.31 4.10 0.24 0.64 -4.23 -1.26 -0.13 115.64 113.68 1ttv s THR 45 Ca -0.14 1.40 0.00 0.00 -1.18 0.00 0.00 61.69 61.77 1ttv s THR 45 Cb -0.09 -3.62 0.33 0.00 1.34 0.00 0.00 72.50 70.47 1ttv s THR 45 CO -0.00 -0.19 1.22 0.80 -0.54 0.00 0.00 174.62 175.90 1ttv n MET 46 N -0.50 -0.06 0.22 3.99 1.56 -1.26 -0.61 117.12 120.46 1ttv n MET 46 Ca 0.07 1.17 -0.13 0.00 -0.27 0.00 0.00 57.70 58.54 1ttv n MET 46 Cb 0.52 -1.85 -0.07 0.00 2.15 0.00 0.00 33.22 33.98 1ttv n MET 46 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 1ttv h LYS 47 N 0.00 -0.69 -0.49 2.12 6.56 -1.93 0.43 116.57 122.56 1ttv h LYS 47 Ca 0.46 0.05 0.08 0.00 -1.06 0.00 0.00 60.65 60.18 1ttv h LYS 47 Cb 0.92 0.16 -0.07 0.00 -0.57 0.00 0.00 32.23 32.67 1ttv h LYS 47 CO -0.74 -0.46 0.11 0.93 -2.06 0.00 0.00 179.45 177.22 1ttv h GLU 48 N -0.72 0.24 0.41 3.15 3.07 -1.26 0.45 114.58 119.93 1ttv h GLU 48 Ca -0.05 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 1ttv h GLU 48 Cb 0.61 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.44 1ttv h GLU 48 CO -0.02 0.16 -0.49 0.28 -1.40 0.00 0.00 179.01 177.54 1ttv h VAL 49 N 0.25 0.00 0.00 3.13 2.07 -0.65 0.11 116.25 121.16 1ttv h VAL 49 Ca 0.25 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.77 1ttv h VAL 49 Cb 0.32 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 1ttv h VAL 49 CO -0.31 0.00 0.00 0.25 0.02 0.00 0.00 177.57 177.53 1ttv h LEU 50 N -0.92 0.00 0.10 2.57 6.46 0.24 -2.59 115.31 121.17 1ttv h LEU 50 Ca -0.05 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 1ttv h LEU 50 Cb 0.82 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.75 1ttv h LEU 50 CO -0.10 0.00 -0.05 0.22 -0.62 0.00 0.00 178.44 177.89 1ttv h TYR 51 N 0.00 -0.12 -0.63 1.25 3.20 0.16 -3.27 116.97 117.56 1ttv h TYR 51 Ca 0.00 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1ttv h TYR 51 Cb 0.02 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.27 1ttv h TYR 51 CO 0.00 0.12 0.28 0.45 -1.64 0.00 0.00 178.16 177.37 1ttv h HIS 52 N -1.01 0.51 -0.77 -3.82 -0.00 -0.69 -1.89 115.15 107.47 1ttv h HIS 52 Ca -0.01 0.03 0.16 0.00 -0.00 0.00 0.00 60.37 60.55 1ttv h HIS 52 Cb 0.29 -0.13 -0.14 0.00 -0.00 0.00 0.00 27.41 27.43 1ttv h HIS 52 CO 0.05 0.18 -0.11 -0.07 -0.00 0.00 0.00 177.93 177.97 1ttv h LEU 53 N 0.50 -0.58 -0.98 2.43 4.07 -1.60 1.52 115.31 120.67 1ttv h LEU 53 Ca 0.31 0.22 0.10 0.00 0.08 0.00 0.00 57.88 58.58 1ttv h LEU 53 Cb 0.33 0.43 -0.08 0.00 1.08 0.00 0.00 40.66 42.42 1ttv h LEU 53 CO -0.26 -0.23 0.62 1.23 -1.08 0.00 0.00 178.44 178.71 1ttv h GLY 54 N 0.03 1.56 2.00 0.83 0.00 -1.39 0.49 103.07 106.59 1ttv h GLY 54 Ca 0.39 -0.43 -0.16 0.00 0.00 0.00 0.00 47.33 47.13 1ttv h GLY 54 CO -0.75 0.23 -0.76 1.46 0.00 0.00 0.00 176.54 176.72 1ttv h GLN 55 N 1.05 0.00 0.00 4.80 4.20 0.21 -3.11 115.11 122.26 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 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1ttv h GLN 55 CO -0.23 0.76 -0.00 -0.92 -0.67 0.00 0.00 178.83 177.77 1ttv h TYR 56 N 0.00 -0.00 0.43 2.96 3.20 0.36 -1.30 116.97 122.61 1ttv h TYR 56 Ca -0.01 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 1ttv h TYR 56 Cb 1.50 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.77 1ttv h TYR 56 CO 0.00 0.26 -0.24 0.82 -1.64 0.00 0.00 178.16 177.36 1ttv h ILE 57 N -0.26 0.51 -0.30 1.81 2.04 -1.07 0.13 117.51 120.37 1ttv h ILE 57 Ca -0.00 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.95 1ttv h ILE 57 Cb 0.26 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1ttv h ILE 57 CO 0.00 0.00 0.22 0.00 0.00 0.00 0.00 178.15 178.37 1ttv h MET 58 N -0.62 0.00 0.26 2.37 -0.00 -1.58 0.83 114.93 116.19 1ttv h MET 58 Ca -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.64 1ttv h MET 58 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.10 1ttv h MET 58 CO 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 176.91 176.85 1ttv h ALA 59 N 1.84 -0.35 0.00 -3.00 0.00 -0.57 -3.26 119.26 113.92 1ttv h ALA 59 Ca 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ttv h ALA 59 Cb 0.58 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ttv h ALA 59 CO -0.00 -0.34 -0.08 0.87 0.00 0.00 0.00 179.25 179.69 1ttv h LYS 60 N -1.05 0.00 -4.03 0.00 6.56 -0.44 -3.47 116.57 114.14 1ttv h LYS 60 Ca -0.04 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.48 1ttv h LYS 60 Cb 0.37 0.00 0.06 0.00 -0.57 0.00 0.00 32.23 32.09 1ttv h LYS 60 CO 0.06 0.08 -0.26 0.94 -2.06 0.00 0.00 179.45 178.21 1ttv n GLN 61 N -3.44 -0.84 0.00 3.15 7.27 0.29 -4.98 117.38 118.83 1ttv n GLN 61 Ca -0.01 0.53 0.10 0.00 0.07 0.00 0.00 57.00 57.69 1ttv n GLN 61 Cb 0.23 -3.33 -0.05 0.00 2.41 0.00 0.00 30.24 29.50 1ttv n GLN 61 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1ttv n LEU 62 N -1.97 1.59 -4.78 1.69 4.77 -1.07 -4.96 117.00 112.27 1ttv n LEU 62 Ca -0.02 -0.65 -0.37 0.00 -0.03 0.00 0.00 56.01 54.93 1ttv n LEU 62 Cb 0.54 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.56 1ttv n LEU 62 CO 0.24 0.32 0.66 -0.72 -1.33 0.00 0.00 177.39 176.56 1ttv s TYR 63 N -2.65 3.69 0.38 -1.77 -0.85 -1.26 -1.94 117.35 112.95 1ttv s TYR 63 Ca 0.14 1.79 -0.25 0.00 -0.52 0.00 0.00 57.07 58.23 1ttv s TYR 63 Cb 0.17 -2.94 -0.09 0.00 0.38 0.00 0.00 41.96 39.48 1ttv s TYR 63 CO 0.68 0.18 1.06 0.34 -1.52 0.00 0.00 175.55 176.30 1ttv s ASP 64 N -1.58 6.81 0.05 -0.18 2.15 0.22 -4.91 116.67 119.23 1ttv s ASP 64 Ca 0.50 2.09 -0.30 0.00 0.43 0.00 0.00 52.55 55.27 1ttv s ASP 64 Cb -0.19 -2.59 -0.18 0.00 -0.30 0.00 0.00 42.92 39.66 1ttv s ASP 64 CO 0.25 -0.45 1.45 -0.33 -0.17 0.00 0.00 175.17 175.91 1ttv h GLU 65 N 2.69 -0.76 0.19 4.34 4.39 -1.96 -3.29 114.58 120.18 1ttv h GLU 65 Ca -0.48 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.27 1ttv h GLU 65 Cb 1.22 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 1ttv h GLU 65 CO 0.63 -0.47 -0.23 0.87 -1.16 0.00 0.00 179.01 178.65 1ttv h LYS 66 N -0.92 -0.42 -5.18 2.33 6.56 -1.99 -3.39 116.57 113.56 1ttv h LYS 66 Ca -0.08 0.03 -0.62 0.00 -1.06 0.00 0.00 60.65 58.92 1ttv h LYS 66 Cb 0.65 0.09 -0.14 0.00 -0.57 0.00 0.00 32.23 32.26 1ttv h LYS 66 CO 0.13 -0.28 -0.34 -0.65 -2.06 0.00 0.00 179.45 176.26 1ttv s GLN 67 N -4.28 4.07 0.31 3.15 -0.21 -1.24 -4.95 119.66 116.50 1ttv s GLN 67 Ca -0.08 -0.04 0.23 0.00 0.02 0.00 0.00 55.36 55.49 1ttv s GLN 67 Cb 0.02 -3.59 0.31 0.00 1.00 0.00 0.00 33.01 30.75 1ttv s GLN 67 CO 0.27 -0.10 1.44 1.96 -2.12 0.00 0.00 175.29 176.74 1ttv h GLN 68 N 7.78 0.00 -0.54 2.91 7.50 -1.77 -3.08 115.11 127.91 1ttv h GLN 68 Ca -0.35 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.80 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 0.66 0.00 0.00 -2.39 -1.50 0.00 0.00 178.83 175.60 1ttv n HIS 69 N -2.75 0.80 -5.20 2.96 1.44 -1.26 -4.74 115.22 106.46 1ttv n HIS 69 Ca 0.03 -0.34 -0.32 0.00 -2.01 0.00 0.00 57.72 55.09 1ttv n HIS 69 Cb 0.51 -0.11 -0.16 0.00 0.12 0.00 0.00 29.99 30.35 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 -1.62 2.28 -0.27 0.61 -1.09 -1.22 -2.18 121.20 117.71 1ttv s ILE 70 Ca 0.30 -1.01 0.01 0.00 -2.23 0.00 0.00 60.65 57.72 1ttv s ILE 70 Cb 0.18 -1.83 0.08 0.00 -1.58 0.00 0.00 42.46 39.31 1ttv s ILE 70 CO 0.17 0.58 0.01 -0.69 -1.23 0.00 0.00 174.94 173.78 1ttv s VAL 71 N -0.43 1.39 -0.34 2.92 1.01 -1.09 -0.61 120.40 123.25 1ttv s VAL 71 Ca 0.05 -1.41 0.01 0.00 0.00 0.00 0.00 61.98 60.63 1ttv s VAL 71 Cb -0.12 -1.85 0.10 0.00 0.00 0.00 0.00 36.38 34.52 1ttv s VAL 71 CO 0.01 -0.36 0.10 -1.38 0.00 0.00 0.00 175.10 173.47 1ttv s HIS 72 N 1.41 2.48 -0.29 5.22 -3.43 -0.82 -1.33 115.29 118.54 1ttv s HIS 72 Ca 0.02 -2.28 -0.00 0.00 -0.80 0.00 0.00 55.06 52.00 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 -0.12 -0.89 0.07 0.00 -2.00 0.00 0.00 174.74 171.80 1ttv h SER 74 N 8.05 0.21 -3.72 0.00 0.87 -1.91 -3.35 113.55 113.70 1ttv h SER 74 Ca -0.13 -0.22 -0.77 0.00 -1.23 0.00 0.00 61.79 59.43 1ttv h SER 74 Cb 1.04 -0.06 -0.27 0.00 -0.44 0.00 0.00 62.40 62.67 1ttv h SER 74 CO 0.45 0.38 -0.03 0.20 -0.53 0.00 0.00 176.83 177.30 1ttv s ASN 75 N -5.62 6.44 -0.24 6.23 0.01 -1.26 -4.73 114.94 115.77 1ttv s ASN 75 Ca -0.14 -2.53 -0.26 0.00 -0.71 0.00 0.00 52.86 49.22 1ttv s ASN 75 Cb 0.06 -2.16 0.08 0.00 0.41 0.00 0.00 41.25 39.65 1ttv s ASN 75 CO 0.70 -0.60 0.80 -0.62 -1.51 0.00 0.00 177.10 175.87 1ttv s ASP 76 N 2.24 -0.66 0.52 -1.22 2.15 -1.26 -5.03 116.67 113.42 1ttv s ASP 76 Ca 0.15 1.19 0.26 0.00 0.43 0.00 0.00 52.55 54.58 1ttv s ASP 76 Cb -0.15 1.18 1.37 0.00 -0.30 0.00 0.00 42.92 45.03 1ttv s ASP 76 CO -0.06 -0.27 1.96 -0.65 -0.17 0.00 0.00 175.17 175.98 1ttv h PRO 77 N 4.49 0.05 0.42 4.34 0.11 -1.93 0.19 132.00 139.68 1ttv h PRO 77 Ca -0.28 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 1ttv h PRO 77 Cb 1.16 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ttv h PRO 77 CO 0.11 0.03 -0.20 1.25 -0.21 0.00 0.00 178.00 178.98 1ttv h LEU 78 N 0.05 -0.48 -1.88 2.35 5.85 -1.94 0.34 115.31 119.61 1ttv h LEU 78 Ca 0.31 0.02 0.11 0.00 0.84 0.00 0.00 57.88 59.16 1ttv h LEU 78 Cb 1.17 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 1ttv h LEU 78 CO -0.02 -0.24 0.33 1.23 -0.34 0.00 0.00 178.44 179.40 1ttv h GLY 79 N -0.78 0.20 2.00 3.75 0.00 -1.65 0.29 103.07 106.88 1ttv h GLY 79 Ca -0.06 -0.06 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 1ttv h GLY 79 CO 0.10 0.03 -0.58 -2.09 0.00 0.00 0.00 176.54 173.99 1ttv h GLU 80 N 0.14 0.00 0.19 4.80 4.57 -0.93 0.13 114.58 123.48 1ttv h GLU 80 Ca 0.23 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1ttv h GLU 80 Cb 0.71 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1ttv h GLU 80 CO -0.03 0.58 -0.09 1.25 -1.18 0.00 0.00 179.01 179.54 1ttv h LEU 81 N 0.00 -0.22 -1.80 1.64 5.85 0.18 -3.32 115.31 117.64 1ttv h LEU 81 Ca -0.01 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1ttv h LEU 81 Cb 1.09 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1ttv h LEU 81 CO 0.08 0.18 -0.15 -0.26 -0.34 0.00 0.00 178.44 177.94 1ttv h PHE 82 N -0.93 0.00 -0.02 1.25 0.04 -1.26 -3.46 116.94 112.56 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 0.15 0.00 0.41 -0.60 0.00 0.00 178.31 178.28 1ttv n GLY 83 N -0.81 0.89 3.04 -1.45 0.00 0.28 -5.08 105.19 102.07 1ttv n GLY 83 Ca -0.02 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.02 0.53 -0.03 1.61 -7.23 -0.27 -5.01 120.40 107.98 1ttv s VAL 84 Ca 0.00 -0.91 0.12 0.00 -1.81 0.00 0.00 61.98 59.39 1ttv s VAL 84 Cb 0.00 -0.57 -0.18 0.00 0.56 0.00 0.00 36.38 36.19 1ttv s VAL 84 CO 0.00 -0.27 0.91 -0.61 -0.31 0.00 0.00 175.10 174.82 1ttv h GLN 85 N 4.81 0.00 -3.05 4.82 4.15 -1.86 -3.38 115.11 120.60 1ttv h GLN 85 Ca -0.34 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 58.95 1ttv h GLN 85 Cb 1.20 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 28.68 1ttv h GLN 85 CO 0.43 0.56 -0.30 -1.83 -1.93 0.00 0.00 178.83 175.75 1ttv s GLU 86 N -2.73 0.59 -0.28 1.69 -1.05 -1.26 -1.29 118.70 114.37 1ttv s GLU 86 Ca -0.02 -0.05 -0.16 0.00 -0.15 0.00 0.00 54.97 54.59 1ttv s GLU 86 Cb 0.09 0.26 0.09 0.00 -0.44 0.00 0.00 34.13 34.13 1ttv s GLU 86 CO 0.81 -0.15 0.74 -0.59 0.95 0.00 0.00 175.26 177.03 1ttv s PHE 87 N -0.98 -0.99 -0.08 4.83 -0.71 -0.44 -4.99 117.98 114.63 1ttv s PHE 87 Ca -0.10 1.96 -0.27 0.00 -1.04 0.00 0.00 56.93 57.47 1ttv s PHE 87 Cb -0.05 0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 42.33 1ttv s PHE 87 CO 0.03 -0.49 0.89 -1.54 -1.34 0.00 0.00 175.22 172.77 1ttv s SER 88 N 1.64 7.15 0.00 1.98 1.04 -1.26 -2.67 113.70 121.58 1ttv s SER 88 Ca -0.10 1.41 0.16 0.00 0.48 0.00 0.00 55.95 57.90 1ttv s SER 88 Cb -0.05 -2.50 0.70 0.00 0.10 0.00 0.00 66.02 64.26 1ttv s SER 88 CO -0.19 -0.31 1.50 1.33 0.98 0.00 0.00 173.24 176.55 1ttv n VAL 89 N 4.24 0.85 -0.20 5.02 0.24 -0.93 -3.20 118.33 124.35 1ttv n VAL 89 Ca 0.05 0.21 0.18 0.00 -2.04 0.00 0.00 64.34 62.74 1ttv n VAL 89 Cb 0.50 -0.94 0.52 0.00 -1.47 0.00 0.00 33.84 32.45 1ttv n VAL 89 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 1ttv h LYS 90 N 0.00 0.37 -4.47 7.34 1.63 -1.92 -3.23 116.57 116.29 1ttv h LYS 90 Ca 0.00 -0.02 -0.74 0.00 -0.85 0.00 0.00 60.65 59.03 1ttv h LYS 90 Cb 0.25 -0.08 -0.21 0.00 -0.60 0.00 0.00 32.23 31.59 1ttv h LYS 90 CO 0.00 0.25 0.87 -1.21 -3.45 0.00 0.00 179.45 175.91 1ttv s GLU 91 N -5.39 3.92 0.20 1.90 0.41 -1.19 -4.85 118.70 113.69 1ttv s GLU 91 Ca -0.08 -2.47 -0.11 0.00 -0.41 0.00 0.00 54.97 51.89 1ttv s GLU 91 Cb 0.22 -4.84 0.13 0.00 -1.78 0.00 0.00 34.13 27.85 1ttv s GLU 91 CO 0.77 -1.60 1.86 0.45 -0.49 0.00 0.00 175.26 176.26 1ttv h HIS 92 N 7.59 0.87 -0.65 1.61 3.86 -1.88 -1.96 115.15 124.59 1ttv h HIS 92 Ca 0.22 0.02 0.17 0.00 -1.16 0.00 0.00 60.37 59.62 1ttv h HIS 92 Cb 0.94 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 1ttv h HIS 92 CO 1.04 0.55 0.46 0.07 0.86 0.00 0.00 177.93 180.91 1ttv h ARG 93 N 0.93 0.08 0.19 2.45 0.11 -1.92 -1.66 114.38 114.55 1ttv h ARG 93 Ca 0.25 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.32 1ttv h ARG 93 Cb -0.10 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 30.97 1ttv h ARG 93 CO -0.05 0.05 -0.09 0.00 0.10 0.00 0.00 179.97 179.98 1ttv h ARG 94 N 0.08 -0.24 -0.22 0.08 3.08 -1.77 -3.00 114.38 112.39 1ttv h ARG 94 Ca 0.31 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.43 1ttv h ARG 94 Cb 1.12 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.18 1ttv h ARG 94 CO -0.03 0.15 -0.09 0.82 -1.07 0.00 0.00 179.97 179.75 1ttv h ILE 95 N -0.75 0.69 -0.85 2.04 2.04 -1.27 0.77 117.51 120.18 1ttv h ILE 95 Ca -0.03 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.02 1ttv h ILE 95 Cb 0.51 0.69 -0.11 0.00 -0.74 0.00 0.00 36.82 37.17 1ttv h ILE 95 CO 0.04 0.00 0.38 1.88 0.00 0.00 0.00 178.15 180.45 1ttv h TYR 96 N -0.06 0.64 -0.08 1.37 -1.99 -1.42 0.81 116.97 116.25 1ttv h TYR 96 Ca 0.11 0.04 -0.18 0.00 2.00 0.00 0.00 58.73 60.71 1ttv h TYR 96 Cb 0.23 -0.15 -0.01 0.00 2.00 0.00 0.00 36.73 38.80 1ttv h TYR 96 CO -0.26 0.04 -0.70 0.00 -0.00 0.00 0.00 178.16 177.23 1ttv h ALA 97 N 1.63 0.63 -0.28 3.88 0.00 -1.19 -2.91 119.26 121.02 1ttv h ALA 97 Ca 0.50 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ttv h ALA 97 Cb 0.85 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ttv h ALA 97 CO -0.46 0.76 0.00 -1.33 0.00 0.00 0.00 179.25 178.22 1ttv n MET 98 N -3.85 0.00 -0.31 0.00 2.81 0.19 -2.46 117.12 113.51 1ttv n MET 98 Ca -0.04 0.47 0.24 0.00 -1.81 0.00 0.00 57.70 56.56 1ttv n MET 98 Cb 0.69 -1.45 0.54 0.00 -0.71 0.00 0.00 33.22 32.29 1ttv n MET 98 CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 1ttv h ILE 99 N 0.00 0.52 -0.25 2.02 -0.00 -1.46 -0.67 117.51 117.67 1ttv h ILE 99 Ca 0.00 -0.12 0.05 0.00 -0.00 0.00 0.00 64.86 64.79 1ttv h ILE 99 Cb 0.00 0.15 -0.05 0.00 -0.00 0.00 0.00 36.82 36.92 1ttv h ILE 99 CO 0.00 0.06 -0.07 0.77 -0.00 0.00 0.00 178.15 178.91 1ttv h SER 100 N 0.34 -0.26 -0.06 2.16 4.64 -1.39 0.73 113.55 119.72 1ttv h SER 100 Ca 0.58 0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.99 1ttv h SER 100 Cb 1.57 0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.82 1ttv h SER 100 CO -0.25 -0.09 0.09 0.03 -0.87 0.00 0.00 176.83 175.73 1ttv h ARG 101 N -0.01 0.00 0.04 4.77 3.08 -0.78 -0.66 114.38 120.82 1ttv h ARG 101 Ca 0.12 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.91 1ttv h ARG 101 Cb 0.20 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 1ttv h ARG 101 CO -0.26 0.00 -1.33 -0.91 -1.07 0.00 0.00 179.97 176.40 1ttv h ASN 102 N 0.00 0.14 -1.71 7.04 2.35 -0.86 -3.46 115.58 119.08 1ttv h ASN 102 Ca 0.03 -0.19 -0.66 0.00 -0.55 0.00 0.00 56.30 54.93 1ttv h ASN 102 Cb 0.20 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.53 1ttv h ASN 102 CO -0.00 1.15 1.10 0.18 -1.65 0.00 0.00 177.43 178.22 1ttv n LEU 103 N -3.32 2.89 -0.04 1.61 4.77 -0.26 -4.05 117.00 118.60 1ttv n LEU 103 Ca -0.09 0.89 -0.19 0.00 -0.03 0.00 0.00 56.01 56.59 1ttv n LEU 103 Cb 1.00 -1.28 -0.13 0.00 -2.33 0.00 0.00 43.42 40.68 1ttv n LEU 103 CO 0.48 -0.30 -0.14 -0.37 -1.33 0.00 0.00 177.39 175.73 1ttv h VAL 104 N 5.72 1.30 -3.34 4.08 -1.51 -1.24 -3.47 116.25 117.79 1ttv h VAL 104 Ca -0.44 -2.34 -0.66 0.00 -1.23 0.00 0.00 66.70 62.03 1ttv h VAL 104 Cb 1.29 2.86 -0.13 0.00 -2.13 0.00 0.00 31.29 33.19 1ttv h VAL 104 CO 0.97 0.57 -0.64 -0.55 -1.23 0.00 0.00 177.57 176.69 1ttv s SER 105 N -6.73 5.13 0.18 4.19 0.15 -1.21 -4.99 113.70 110.42 1ttv s SER 105 Ca -0.21 -0.05 0.08 0.00 0.70 0.00 0.00 55.95 56.47 1ttv s SER 105 Cb 0.02 -1.32 -0.04 0.00 -1.71 0.00 0.00 66.02 62.97 1ttv s SER 105 CO 0.71 0.25 -0.06 0.00 1.20 0.00 0.00 173.24 175.33 1ttv s ALA 106 N -1.17 3.03 -0.14 5.45 0.00 -1.26 -1.64 121.76 126.03 1ttv s ALA 106 Ca 0.22 -1.45 -0.32 0.00 0.00 0.00 0.00 51.96 50.41 1ttv s ALA 106 Cb -0.12 -0.82 -0.09 0.00 0.00 0.00 0.00 23.12 22.09 1ttv s ALA 106 CO 0.13 0.46 2.04 0.27 0.00 0.00 0.00 175.76 178.67 1ttv n ASN 107 N -0.04 3.32 -4.35 0.00 6.94 0.63 -4.92 115.26 116.83 1ttv n ASN 107 Ca -0.10 0.66 -0.19 0.00 -0.02 0.00 0.00 54.58 54.93 1ttv n ASN 107 Cb 0.55 -1.43 -0.10 0.00 -2.36 0.00 0.00 39.78 36.44 1ttv n ASN 107 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1ttv s VAL 108 N 5.85 1.79 -0.75 3.53 0.11 -1.26 -4.88 120.40 124.78 1ttv s VAL 108 Ca 0.97 -2.20 -0.26 0.00 -2.93 0.00 0.00 61.98 57.57 1ttv s VAL 108 Cb -0.58 -2.04 -0.11 0.00 -1.53 0.00 0.00 36.38 32.13 1ttv s VAL 108 CO 0.45 -0.56 2.34 -0.54 -3.33 0.00 0.00 175.10 173.46 1ttv s LYS 109 N -3.56 1.82 0.25 1.54 3.01 -1.26 -4.84 119.74 116.71 1ttv s LYS 109 Ca 0.22 0.55 0.01 0.00 -1.01 0.00 0.00 55.97 55.74 1ttv s LYS 109 Cb -0.01 -4.77 -0.00 0.00 -1.01 0.00 0.00 37.83 32.03 1ttv s LYS 109 CO 0.07 -4.08 0.29 0.39 0.51 0.00 0.00 175.35 172.53 1ttv n GLU 110 N 8.87 0.42 -4.75 1.68 1.02 -1.26 -5.16 120.64 121.46 1ttv n GLU 110 Ca 0.44 -2.17 -0.33 0.00 -0.02 0.00 0.00 57.16 55.08 1ttv n GLU 110 Cb 0.46 1.95 -0.14 0.00 -0.02 0.00 0.00 31.44 33.70 1ttv n GLU 110 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ttv s SER 111 N -2.61 4.15 -0.03 1.62 0.15 -1.26 -5.11 113.70 110.61 1ttv s SER 111 Ca 0.24 -0.25 -0.17 0.00 0.70 0.00 0.00 55.95 56.47 1ttv s SER 111 Cb 0.00 -1.42 -0.05 0.00 -1.71 0.00 0.00 66.02 62.84 1ttv s SER 111 CO 0.17 0.22 0.47 -0.94 1.20 0.00 0.00 173.24 174.37 1ttv s SER 112 N 0.01 6.82 0.97 5.45 1.04 -1.26 -5.06 113.70 121.66 1ttv s SER 112 Ca -0.03 0.97 -0.11 0.00 0.48 0.00 0.00 55.95 57.27 1ttv s SER 112 Cb -0.14 -2.29 0.18 0.00 0.10 0.00 0.00 66.02 63.87 1ttv s SER 112 CO 0.04 0.18 1.12 -1.61 0.98 0.00 0.00 173.24 173.95 1ttv s GLU 113 N -0.38 0.57 0.28 4.02 8.01 -1.26 -5.00 118.70 124.93 1ttv s GLU 113 Ca 0.26 1.41 -0.08 0.00 0.01 0.00 0.00 54.97 56.58 1ttv s GLU 113 Cb -0.17 -1.69 -0.06 0.00 -4.31 0.00 0.00 34.13 27.91 1ttv s GLU 113 CO 0.13 -2.90 0.58 0.16 0.01 0.00 0.00 175.26 173.25 1ttv s ASP 114 N -2.62 6.53 -0.41 -0.19 1.47 -1.26 -5.06 116.67 115.13 1ttv s ASP 114 Ca 0.67 0.86 -0.05 0.00 1.18 0.00 0.00 52.55 55.21 1ttv s ASP 114 Cb -0.23 -2.20 0.10 0.00 -0.34 0.00 0.00 42.92 40.24 1ttv s ASP 114 CO 0.59 -0.18 0.22 -0.63 0.68 0.00 0.00 175.17 175.85 1ttv s ILE 115 N -2.02 3.61 -0.11 2.11 1.01 -1.26 -4.90 121.20 119.64 1ttv s ILE 115 Ca 0.46 -1.79 0.15 0.00 0.00 0.00 0.00 60.65 59.48 1ttv s ILE 115 Cb -0.11 -3.35 -0.23 0.00 0.01 0.00 0.00 42.46 38.78 1ttv s ILE 115 CO 0.27 -0.59 0.46 0.49 0.00 0.00 0.00 174.94 175.57 1ttv n PHE 116 N 4.72 0.61 -1.89 3.97 3.72 -1.26 -5.00 117.46 122.34 1ttv n PHE 116 Ca -0.06 0.22 -0.01 0.00 -0.05 0.00 0.00 57.45 57.55 1ttv n PHE 116 Cb 0.42 -1.09 -0.00 0.00 -0.94 0.00 0.00 39.48 37.87 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 1.60 0.34 3.60 1.37 0.00 -1.26 -5.03 105.19 105.81 1ttv n GLY 117 Ca -0.21 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.95 6.20 0.00 1.61 3.84 -1.26 -5.36 114.94 117.02 1ttv s ASN 118 Ca 0.00 0.18 0.00 0.00 0.21 0.00 0.00 52.86 53.25 1ttv s ASN 118 Cb 0.00 -2.19 0.00 0.00 -0.55 0.00 0.00 41.25 38.51 1ttv s ASN 118 CO 0.00 -0.18 0.00 0.52 -2.79 0.00 0.00 177.10 174.65