#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 2.37 -0.43 3.10 3.76 -1.26 -4.99 115.29 117.83 1ttv s HIS 14 Ca 0.00 1.42 0.07 0.00 -0.15 0.00 0.00 55.06 56.40 1ttv s HIS 14 Cb 0.00 -3.70 0.26 0.00 1.11 0.00 0.00 32.58 30.25 1ttv s HIS 14 CO 0.00 -2.63 0.71 -0.89 -0.85 0.00 0.00 174.74 171.09 1ttv n ILE 15 N -1.07 -0.35 -3.52 0.60 5.41 -1.26 -4.96 119.36 114.20 1ttv n ILE 15 Ca 0.11 -2.94 -0.41 0.00 1.00 0.00 0.00 62.75 60.51 1ttv n ILE 15 Cb 0.46 -0.30 -0.05 0.00 -0.71 0.00 0.00 39.64 39.04 1ttv n ILE 15 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1ttv s SER 16 N -1.48 6.22 0.00 4.38 1.04 -1.26 -4.87 113.70 117.73 1ttv s SER 16 Ca 0.33 -3.16 0.00 0.00 0.48 0.00 0.00 55.95 53.60 1ttv s SER 16 Cb 0.21 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1ttv s SER 16 CO -0.16 -0.36 0.00 0.41 0.98 0.00 0.00 173.24 174.11 1ttv n THR 17 N 3.19 0.00 -2.71 2.02 -1.04 -1.26 -4.79 114.28 109.68 1ttv n THR 17 Ca 0.16 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.75 1ttv n THR 17 Cb 0.40 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.89 1ttv n THR 17 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1ttv s SER 18 N 0.00 7.27 0.00 8.00 0.01 -1.26 -4.87 113.70 122.85 1ttv s SER 18 Ca 0.00 1.55 0.02 0.00 1.31 0.00 0.00 55.95 58.83 1ttv s SER 18 Cb 0.00 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.71 1ttv s SER 18 CO 0.00 -0.38 0.96 0.47 0.41 0.00 0.00 173.24 174.70 1ttv n ASP 19 N 4.64 -0.73 -4.68 2.44 9.92 -1.26 -4.76 116.55 122.12 1ttv n ASP 19 Ca 0.07 -1.90 -0.36 0.00 -0.53 0.00 0.00 54.79 52.08 1ttv n ASP 19 Cb 0.50 0.22 -0.09 0.00 -0.64 0.00 0.00 41.12 41.10 1ttv n ASP 19 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1ttv s GLN 20 N 0.00 4.10 0.00 -1.24 0.74 -1.26 -5.08 119.66 116.92 1ttv s GLN 20 Ca 0.03 -0.26 0.00 0.00 0.05 0.00 0.00 55.36 55.18 1ttv s GLN 20 Cb 0.03 -3.49 0.00 0.00 1.10 0.00 0.00 33.01 30.65 1ttv s GLN 20 CO -0.01 0.14 0.00 0.39 -0.55 0.00 0.00 175.29 175.26 1ttv n GLU 21 N 4.03 3.88 -0.95 1.67 1.02 -1.26 -4.81 120.64 124.22 1ttv n GLU 21 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 1ttv n GLU 21 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.94 1ttv n GLU 21 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ttv n LYS 22 N 0.00 -0.17 -2.23 3.49 4.76 -1.26 -4.93 118.16 117.81 1ttv n LYS 22 Ca 0.00 0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.07 1ttv n LYS 22 Cb 0.00 -3.10 -0.03 0.00 -1.84 0.00 0.00 35.03 30.06 1ttv n LYS 22 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1ttv s LEU 23 N 0.00 4.40 0.24 -0.35 1.43 -1.26 -3.69 118.68 119.46 1ttv s LEU 23 Ca 0.00 2.33 0.10 0.00 -1.03 0.00 0.00 54.13 55.53 1ttv s LEU 23 Cb 0.00 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 1ttv s LEU 23 CO 0.00 -0.55 -0.09 0.68 0.23 0.00 0.00 176.35 176.62 1ttv s VAL 24 N 0.51 3.07 -0.37 -1.59 -7.23 0.31 -3.36 120.40 111.74 1ttv s VAL 24 Ca 0.59 -1.98 0.04 0.00 -1.81 0.00 0.00 61.98 58.82 1ttv s VAL 24 Cb -0.36 -2.60 0.11 0.00 0.56 0.00 0.00 36.38 34.09 1ttv s VAL 24 CO 0.35 -0.30 0.09 -1.58 -0.31 0.00 0.00 175.10 173.35 1ttv s GLN 25 N -3.36 1.58 0.80 4.82 2.00 0.17 0.18 119.66 125.85 1ttv s GLN 25 Ca 0.29 -2.01 -0.14 0.00 -2.00 0.00 0.00 55.36 51.50 1ttv s GLN 25 Cb -0.07 -3.24 0.07 0.00 0.80 0.00 0.00 33.01 30.58 1ttv s GLN 25 CO 0.17 -0.97 1.14 -2.30 -0.50 0.00 0.00 175.29 172.83 1ttv n PRO 26 N 4.06 0.20 -1.23 1.67 -0.02 -1.26 -0.18 135.00 138.23 1ttv n PRO 26 Ca 0.04 0.14 -0.33 0.00 -2.02 0.00 0.00 63.50 61.33 1ttv n PRO 26 Cb 0.40 -2.39 0.11 0.00 -0.02 0.00 0.00 33.50 31.60 1ttv n PRO 26 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ttv s THR 27 N -2.10 2.35 0.55 3.45 -4.23 0.07 -4.47 115.64 111.26 1ttv s THR 27 Ca 0.73 0.15 0.41 0.00 -1.18 0.00 0.00 61.69 61.80 1ttv s THR 27 Cb -0.29 -2.57 0.61 0.00 1.34 0.00 0.00 72.50 71.58 1ttv s THR 27 CO 0.51 -0.11 1.71 -0.65 -0.54 0.00 0.00 174.62 175.55 1ttv h PRO 28 N -0.77 0.00 0.30 3.99 0.11 -1.93 0.32 132.00 134.03 1ttv h PRO 28 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1ttv h PRO 28 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ttv h PRO 28 CO 0.48 0.00 -0.14 1.25 -0.21 0.00 0.00 178.00 179.37 1ttv h LEU 29 N 0.00 -0.34 -1.11 2.35 5.85 -1.97 -3.11 115.31 116.98 1ttv h LEU 29 Ca 0.68 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.38 1ttv h LEU 29 Cb 2.77 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 43.82 1ttv h LEU 29 CO -0.01 0.13 0.60 0.25 -0.34 0.00 0.00 178.44 179.08 1ttv h LEU 30 N -1.05 0.92 -0.19 2.25 5.85 -1.35 -2.82 115.31 118.92 1ttv h LEU 30 Ca -0.04 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.72 1ttv h LEU 30 Cb 0.42 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 1ttv h LEU 30 CO 0.07 0.57 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.27 1ttv h LEU 31 N 1.03 -1.28 -0.90 2.25 3.38 -0.51 -1.02 115.31 118.25 1ttv h LEU 31 Ca 0.42 0.16 0.21 0.00 0.09 0.00 0.00 57.88 58.76 1ttv h LEU 31 Cb 0.27 0.51 -0.12 0.00 0.09 0.00 0.00 40.66 41.41 1ttv h LEU 31 CO -0.17 -0.32 0.43 -1.28 0.09 0.00 0.00 178.44 177.19 1ttv h SER 32 N -0.35 0.41 -0.83 -0.43 0.87 -1.42 0.40 113.55 112.19 1ttv h SER 32 Ca 0.04 0.14 0.10 0.00 -1.23 0.00 0.00 61.79 60.84 1ttv h SER 32 Cb 0.46 0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 62.44 1ttv h SER 32 CO -0.36 0.05 0.47 -0.07 -0.53 0.00 0.00 176.83 176.39 1ttv h LEU 33 N 0.47 0.66 -0.23 2.23 3.38 -1.12 0.61 115.31 121.31 1ttv h LEU 33 Ca 0.55 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 58.44 1ttv h LEU 33 Cb 1.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1ttv h LEU 33 CO -0.49 0.36 -0.40 -0.07 0.09 0.00 0.00 178.44 177.93 1ttv h LEU 34 N 0.77 0.74 -0.83 1.67 3.38 0.32 0.72 115.31 122.08 1ttv h LEU 34 Ca 0.41 -0.53 0.18 0.00 0.09 0.00 0.00 57.88 58.02 1ttv h LEU 34 Cb 0.41 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 40.84 1ttv h LEU 34 CO -0.26 1.14 0.35 0.11 0.09 0.00 0.00 178.44 179.87 1ttv h LYS 35 N 0.38 0.43 0.00 1.13 1.79 0.11 1.02 116.57 121.43 1ttv h LYS 35 Ca 0.01 -0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 1ttv h LYS 35 Cb 1.00 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.54 1ttv h LYS 35 CO 0.09 0.29 -0.87 1.03 -1.08 0.00 0.00 179.45 178.91 1ttv h SER 36 N 0.45 0.00 0.19 0.86 0.87 -0.89 -3.29 113.55 111.73 1ttv h SER 36 Ca 0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 1ttv h SER 36 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 1ttv h SER 36 CO -0.46 0.20 0.00 0.00 -0.53 0.00 0.00 176.83 176.04 1ttv n ALA 37 N -2.22 2.52 0.00 6.23 0.00 0.24 -4.81 120.51 122.46 1ttv n ALA 37 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1ttv n ALA 37 Cb 0.64 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.93 1.56 3.83 0.00 0.00 -0.45 -4.81 105.19 106.25 1ttv n GLY 38 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 3.72 0.00 4.61 0.00 0.33 -4.98 121.76 123.44 1ttv s ALA 39 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1ttv s ALA 39 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 23.12 21.48 1ttv s ALA 39 CO 0.00 0.74 0.00 1.04 0.00 0.00 0.00 175.76 177.54 1ttv n GLN 40 N 0.80 0.00 -0.64 0.00 1.13 -1.26 -3.95 117.38 113.46 1ttv n GLN 40 Ca -0.10 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.73 1ttv n GLN 40 Cb 0.52 -0.09 0.13 0.00 0.11 0.00 0.00 30.24 30.91 1ttv n GLN 40 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1ttv n LYS 41 N -2.08 -1.68 -0.01 -1.09 0.00 -1.26 -4.93 118.16 107.11 1ttv n LYS 41 Ca 0.00 -0.49 -0.06 0.00 -0.00 0.00 0.00 58.31 57.76 1ttv n LYS 41 Cb 0.00 -1.44 -0.12 0.00 -0.00 0.00 0.00 35.03 33.46 1ttv n LYS 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ttv n GLU 42 N -1.09 0.63 -4.12 -1.58 1.02 -1.26 -4.92 120.64 109.32 1ttv n GLU 42 Ca 0.03 0.25 -0.27 0.00 -0.02 0.00 0.00 57.16 57.15 1ttv n GLU 42 Cb 0.46 -1.78 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 1ttv n GLU 42 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ttv s THR 43 N -2.71 4.21 -0.05 2.62 2.01 -1.26 -4.44 115.64 116.02 1ttv s THR 43 Ca -0.04 -1.13 -0.20 0.00 0.31 0.00 0.00 61.69 60.62 1ttv s THR 43 Cb 0.08 -3.11 0.04 0.00 0.01 0.00 0.00 72.50 69.53 1ttv s THR 43 CO 0.82 -0.05 0.45 -0.36 -0.69 0.00 0.00 174.62 174.79 1ttv s PHE 44 N -1.65 -0.38 0.48 4.92 0.40 0.13 -4.93 117.98 116.95 1ttv s PHE 44 Ca 0.29 0.69 -0.20 0.00 -0.60 0.00 0.00 56.93 57.11 1ttv s PHE 44 Cb -0.10 0.21 -0.09 0.00 0.51 0.00 0.00 43.02 43.55 1ttv s PHE 44 CO 0.21 -0.44 1.00 0.95 0.70 0.00 0.00 175.22 177.64 1ttv s THR 45 N -1.05 4.14 0.57 0.64 -4.23 -1.26 0.11 115.64 114.56 1ttv s THR 45 Ca -0.11 1.26 0.39 0.00 -1.18 0.00 0.00 61.69 62.05 1ttv s THR 45 Cb -0.03 -3.54 0.58 0.00 1.34 0.00 0.00 72.50 70.84 1ttv s THR 45 CO 0.06 -0.36 1.63 -0.03 -0.54 0.00 0.00 174.62 175.37 1ttv h MET 46 N 1.50 0.00 0.16 3.99 4.05 -1.93 0.53 114.93 123.23 1ttv h MET 46 Ca -0.49 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 58.93 1ttv h MET 46 Cb 1.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 1ttv h MET 46 CO 0.60 0.00 -0.08 -0.22 0.23 0.00 0.00 176.91 177.44 1ttv h LYS 47 N 0.00 -0.21 -0.41 0.39 1.63 -1.91 -2.17 116.57 113.89 1ttv h LYS 47 Ca 0.66 0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.44 1ttv h LYS 47 Cb 2.88 0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 34.54 1ttv h LYS 47 CO -0.01 0.21 0.11 0.93 -3.45 0.00 0.00 179.45 177.25 1ttv h GLU 48 N -0.87 0.65 0.40 1.90 5.08 -0.96 -0.31 114.58 120.46 1ttv h GLU 48 Ca -0.02 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1ttv h GLU 48 Cb 0.52 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1ttv h GLU 48 CO 0.04 0.65 -0.52 0.28 -1.00 0.00 0.00 179.01 178.46 1ttv h VAL 49 N 0.52 0.00 0.00 3.13 2.07 -0.23 0.65 116.25 122.40 1ttv h VAL 49 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1ttv h VAL 49 Cb 0.29 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1ttv h VAL 49 CO -0.00 0.00 0.00 0.25 0.02 0.00 0.00 177.57 177.84 1ttv h LEU 50 N -0.94 0.00 0.12 2.57 6.46 -1.36 -1.03 115.31 121.13 1ttv h LEU 50 Ca -0.05 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 1ttv h LEU 50 Cb 0.85 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 1ttv h LEU 50 CO -0.13 0.00 -0.06 0.22 -0.62 0.00 0.00 178.44 177.85 1ttv h TYR 51 N 0.00 -0.15 0.00 1.25 3.20 0.87 -2.85 116.97 119.28 1ttv h TYR 51 Ca 0.00 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1ttv h TYR 51 Cb 0.07 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1ttv h TYR 51 CO 0.00 0.11 -0.31 0.45 -1.64 0.00 0.00 178.16 176.77 1ttv h HIS 52 N -1.01 0.00 -0.52 -3.82 -0.00 -0.80 -2.70 115.15 106.30 1ttv h HIS 52 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 1ttv h HIS 52 Cb 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.72 1ttv h HIS 52 CO 0.05 0.31 0.14 1.25 -0.00 0.00 0.00 177.93 179.69 1ttv h LEU 53 N 0.00 0.77 -0.92 2.43 5.85 -1.30 0.27 115.31 122.42 1ttv h LEU 53 Ca -0.00 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 1ttv h LEU 53 Cb 0.58 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1ttv h LEU 53 CO 0.04 0.79 0.11 1.23 -0.34 0.00 0.00 178.44 180.27 1ttv h GLY 54 N 0.72 0.97 2.00 3.75 0.00 -1.24 -1.89 103.07 107.39 1ttv h GLY 54 Ca 0.16 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 1ttv h GLY 54 CO -0.00 0.55 -0.46 1.46 0.00 0.00 0.00 176.54 178.09 1ttv h GLN 55 N 0.86 0.00 -0.61 4.80 4.20 -1.19 -2.92 115.11 120.25 1ttv h GLN 55 Ca 0.18 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1ttv h GLN 55 Cb 0.35 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1ttv h GLN 55 CO 0.00 0.46 0.32 -0.92 -0.67 0.00 0.00 178.83 178.03 1ttv h TYR 56 N 0.00 0.83 0.17 2.96 3.20 0.37 0.48 116.97 124.98 1ttv h TYR 56 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1ttv h TYR 56 Cb 0.98 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.99 1ttv h TYR 56 CO 0.00 0.59 -0.08 0.82 -1.64 0.00 0.00 178.16 177.84 1ttv h ILE 57 N 0.85 0.92 0.00 1.81 2.04 -1.32 0.18 117.51 121.99 1ttv h ILE 57 Ca 0.22 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 1ttv h ILE 57 Cb 0.04 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.57 1ttv h ILE 57 CO -0.03 0.20 -0.02 0.00 0.00 0.00 0.00 178.15 178.30 1ttv h MET 58 N -0.74 0.00 0.00 2.37 -0.00 -1.45 0.82 114.93 115.94 1ttv h MET 58 Ca -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.68 1ttv h MET 58 Cb 0.51 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.11 1ttv h MET 58 CO 0.04 0.02 -0.00 0.00 -0.00 0.00 0.00 176.91 176.97 1ttv h ALA 59 N 1.98 0.00 0.00 -3.00 0.00 -0.83 -3.32 119.26 114.09 1ttv h ALA 59 Ca -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ttv h ALA 59 Cb 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ttv h ALA 59 CO 0.00 0.00 -0.07 0.87 0.00 0.00 0.00 179.25 180.05 1ttv h LYS 60 N -1.00 0.00 -4.07 0.00 6.56 -0.51 -3.47 116.57 114.08 1ttv h LYS 60 Ca -0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.54 1ttv h LYS 60 Cb 0.14 0.00 0.04 0.00 -0.57 0.00 0.00 32.23 31.83 1ttv h LYS 60 CO -0.00 0.07 -0.16 0.94 -2.06 0.00 0.00 179.45 178.24 1ttv n GLN 61 N -3.73 -0.76 0.00 3.15 7.27 0.28 -4.98 117.38 118.61 1ttv n GLN 61 Ca -0.02 0.71 0.08 0.00 0.07 0.00 0.00 57.00 57.84 1ttv n GLN 61 Cb 0.17 -3.42 -0.00 0.00 2.41 0.00 0.00 30.24 29.41 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 -1.73 1.67 -4.84 1.69 4.77 -1.05 -4.99 117.00 112.52 1ttv n LEU 62 Ca -0.01 -0.77 -0.32 0.00 -0.03 0.00 0.00 56.01 54.87 1ttv n LEU 62 Cb 0.52 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1ttv n LEU 62 CO 0.25 0.32 0.68 -0.72 -1.33 0.00 0.00 177.39 176.59 1ttv s TYR 63 N -1.92 3.42 0.16 -1.77 -0.85 -1.26 -2.53 117.35 112.61 1ttv s TYR 63 Ca 0.14 1.48 -0.19 0.00 -0.52 0.00 0.00 57.07 57.98 1ttv s TYR 63 Cb 0.13 -2.81 -0.08 0.00 0.38 0.00 0.00 41.96 39.59 1ttv s TYR 63 CO 0.41 -0.37 0.65 0.34 -1.52 0.00 0.00 175.55 175.06 1ttv s ASP 64 N -2.97 7.03 0.07 -0.18 2.15 -0.41 -4.90 116.67 117.46 1ttv s ASP 64 Ca 0.59 1.32 -0.31 0.00 0.43 0.00 0.00 52.55 54.59 1ttv s ASP 64 Cb -0.10 -2.38 -0.18 0.00 -0.30 0.00 0.00 42.92 39.96 1ttv s ASP 64 CO 0.30 0.12 1.61 -0.33 -0.17 0.00 0.00 175.17 176.70 1ttv h GLU 65 N 3.78 -0.69 0.13 4.34 4.39 -1.96 -3.29 114.58 121.29 1ttv h GLU 65 Ca -0.48 0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.26 1ttv h GLU 65 Cb 1.20 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1ttv h GLU 65 CO 0.65 -0.44 -0.11 0.87 -1.16 0.00 0.00 179.01 178.82 1ttv h LYS 66 N -0.74 -0.22 -5.36 2.33 6.56 -1.99 -3.40 116.57 113.76 1ttv h LYS 66 Ca -0.07 0.02 -0.61 0.00 -1.06 0.00 0.00 60.65 58.92 1ttv h LYS 66 Cb 0.56 0.05 -0.12 0.00 -0.57 0.00 0.00 32.23 32.15 1ttv h LYS 66 CO 0.12 -0.15 -0.16 -0.65 -2.06 0.00 0.00 179.45 176.55 1ttv s GLN 67 N -3.61 4.12 0.21 3.15 1.11 -1.24 -4.95 119.66 118.46 1ttv s GLN 67 Ca -0.04 0.21 0.18 0.00 0.01 0.00 0.00 55.36 55.72 1ttv s GLN 67 Cb 0.01 -3.59 0.02 0.00 -1.01 0.00 0.00 33.01 28.44 1ttv s GLN 67 CO 0.13 -0.16 1.18 1.96 0.01 0.00 0.00 175.29 178.40 1ttv h GLN 68 N 7.68 0.00 -0.50 2.91 7.50 -1.78 -3.07 115.11 127.84 1ttv h GLN 68 Ca -0.33 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.82 1ttv h GLN 68 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.69 1ttv h GLN 68 CO 0.70 0.26 0.00 -2.39 -1.50 0.00 0.00 178.83 175.91 1ttv n HIS 69 N -2.99 0.64 -5.16 2.96 1.44 -1.26 -4.73 115.22 106.12 1ttv n HIS 69 Ca -0.02 -0.27 -0.31 0.00 -2.01 0.00 0.00 57.72 55.11 1ttv n HIS 69 Cb 0.71 -0.10 -0.17 0.00 0.12 0.00 0.00 29.99 30.55 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 1.93 -0.27 0.61 -1.09 -1.23 -1.96 121.20 117.55 1ttv s ILE 70 Ca 0.24 -0.98 0.01 0.00 -2.23 0.00 0.00 60.65 57.69 1ttv s ILE 70 Cb 0.15 -1.65 0.08 0.00 -1.58 0.00 0.00 42.46 39.46 1ttv s ILE 70 CO 0.13 0.54 0.01 -0.69 -1.23 0.00 0.00 174.94 173.70 1ttv s VAL 71 N 0.07 1.43 -0.34 2.92 1.01 -1.13 -1.29 120.40 123.07 1ttv s VAL 71 Ca -0.09 -1.44 0.01 0.00 0.00 0.00 0.00 61.98 60.46 1ttv s VAL 71 Cb -0.15 -1.88 0.10 0.00 0.00 0.00 0.00 36.38 34.45 1ttv s VAL 71 CO 0.05 -0.36 0.09 -1.38 0.00 0.00 0.00 175.10 173.50 1ttv s HIS 72 N 1.39 2.55 -0.29 5.22 -3.43 -1.05 -1.20 115.29 118.48 1ttv s HIS 72 Ca 0.02 -2.31 -0.00 0.00 -0.80 0.00 0.00 55.06 51.97 1ttv s HIS 72 Cb -0.18 -2.22 0.09 0.00 -1.43 0.00 0.00 32.58 28.84 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 0.24 -3.37 0.00 0.87 -1.92 -3.33 113.55 114.10 1ttv h SER 74 Ca -0.14 -0.05 -0.76 0.00 -1.23 0.00 0.00 61.79 59.61 1ttv h SER 74 Cb 1.04 -0.06 -0.24 0.00 -0.44 0.00 0.00 62.40 62.70 1ttv h SER 74 CO 0.45 0.22 0.18 0.20 -0.53 0.00 0.00 176.83 177.35 1ttv s ASN 75 N -5.44 6.59 -0.27 6.23 0.01 -1.26 -4.75 114.94 116.04 1ttv s ASN 75 Ca -0.13 -2.30 -0.24 0.00 -0.71 0.00 0.00 52.86 49.48 1ttv s ASN 75 Cb 0.08 -2.25 0.08 0.00 0.41 0.00 0.00 41.25 39.57 1ttv s ASN 75 CO 0.70 -0.76 0.78 -0.62 -1.51 0.00 0.00 177.10 175.69 1ttv s ASP 76 N 2.79 -0.71 0.64 -1.22 2.15 -1.25 -5.02 116.67 114.05 1ttv s ASP 76 Ca 0.17 1.33 0.34 0.00 0.43 0.00 0.00 52.55 54.83 1ttv s ASP 76 Cb -0.14 1.34 1.90 0.00 -0.30 0.00 0.00 42.92 45.72 1ttv s ASP 76 CO -0.05 -0.23 2.13 -0.65 -0.17 0.00 0.00 175.17 176.20 1ttv h PRO 77 N 5.08 0.00 0.04 4.34 0.11 -1.93 -1.44 132.00 138.20 1ttv h PRO 77 Ca -0.29 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.75 1ttv h PRO 77 Cb 1.17 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1ttv h PRO 77 CO 0.08 0.00 -0.29 1.25 -0.21 0.00 0.00 178.00 178.83 1ttv h LEU 78 N 0.00 0.19 -1.32 2.35 5.85 -1.95 -2.68 115.31 117.75 1ttv h LEU 78 Ca 0.03 -0.91 0.00 0.00 0.84 0.00 0.00 57.88 57.84 1ttv h LEU 78 Cb 0.40 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1ttv h LEU 78 CO -0.00 1.09 0.42 1.23 -0.34 0.00 0.00 178.44 180.84 1ttv h GLY 79 N -0.68 0.94 2.00 3.75 0.00 -1.49 -1.19 103.07 106.41 1ttv h GLY 79 Ca -0.05 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.79 1ttv h GLY 79 CO 0.05 0.36 -0.60 1.05 0.00 0.00 0.00 176.54 177.40 1ttv h GLU 80 N 0.91 0.00 0.43 4.80 4.11 -1.47 0.07 114.58 123.43 1ttv h GLU 80 Ca 0.24 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.65 1ttv h GLU 80 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1ttv h GLU 80 CO -0.05 0.60 -0.21 1.25 0.07 0.00 0.00 179.01 180.67 1ttv h LEU 81 N 0.00 -0.49 -1.73 3.06 5.85 -0.91 -3.25 115.31 117.84 1ttv h LEU 81 Ca -0.01 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1ttv h LEU 81 Cb 1.08 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1ttv h LEU 81 CO 0.08 -0.14 -0.17 -0.26 -0.34 0.00 0.00 178.44 177.60 1ttv h PHE 82 N -1.00 0.00 -0.01 1.25 0.04 -1.35 -3.47 116.94 112.40 1ttv h PHE 82 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1ttv h PHE 82 Cb 0.45 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.60 1ttv h PHE 82 CO 0.02 0.17 0.00 0.41 -0.60 0.00 0.00 178.31 178.31 1ttv n GLY 83 N -0.73 0.91 3.08 -1.45 0.00 -0.12 -5.08 105.19 101.81 1ttv n GLY 83 Ca -0.02 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.01 0.15 -0.00 1.61 -7.23 -0.43 -5.02 120.40 107.47 1ttv s VAL 84 Ca 0.00 -1.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 1ttv s VAL 84 Cb 0.00 -0.93 -0.25 0.00 0.56 0.00 0.00 36.38 35.75 1ttv s VAL 84 CO 0.00 -0.68 0.82 -0.61 -0.31 0.00 0.00 175.10 174.32 1ttv h GLN 85 N 3.71 0.15 -4.09 4.82 4.15 -1.88 -3.40 115.11 118.58 1ttv h GLN 85 Ca -0.33 -0.26 -0.14 0.00 0.77 0.00 0.00 58.65 58.69 1ttv h GLN 85 Cb 1.18 0.10 -0.17 0.00 0.21 0.00 0.00 27.48 28.79 1ttv h GLN 85 CO 0.52 0.95 -0.66 -1.83 -1.93 0.00 0.00 178.83 175.88 1ttv s GLU 86 N -2.62 0.50 -0.29 1.69 -1.05 -1.26 -1.04 118.70 114.63 1ttv s GLU 86 Ca -0.08 -0.94 -0.13 0.00 -0.15 0.00 0.00 54.97 53.68 1ttv s GLU 86 Cb 0.08 0.18 0.12 0.00 -0.44 0.00 0.00 34.13 34.06 1ttv s GLU 86 CO 0.83 -0.10 0.72 -0.59 0.95 0.00 0.00 175.26 177.08 1ttv s PHE 87 N -2.88 -1.14 -0.26 4.83 -0.71 -0.34 -4.97 117.98 112.50 1ttv s PHE 87 Ca -0.03 2.08 -0.28 0.00 -1.04 0.00 0.00 56.93 57.66 1ttv s PHE 87 Cb 0.00 0.69 0.01 0.00 -1.21 0.00 0.00 43.02 42.51 1ttv s PHE 87 CO -0.06 -0.57 1.01 0.45 -1.34 0.00 0.00 175.22 174.71 1ttv s SER 88 N 2.38 6.99 0.39 1.98 0.15 -1.26 -2.82 113.70 121.51 1ttv s SER 88 Ca -0.07 1.20 0.27 0.00 0.70 0.00 0.00 55.95 58.05 1ttv s SER 88 Cb -0.09 -2.52 1.40 0.00 -1.71 0.00 0.00 66.02 63.10 1ttv s SER 88 CO -0.19 -0.71 1.83 -0.37 1.20 0.00 0.00 173.24 175.00 1ttv h VAL 89 N 5.54 0.00 -0.95 4.45 -1.51 -1.78 -2.75 116.25 119.25 1ttv h VAL 89 Ca -0.20 -0.08 0.22 0.00 -1.23 0.00 0.00 66.70 65.41 1ttv h VAL 89 Cb 1.07 0.74 -0.07 0.00 -2.13 0.00 0.00 31.29 30.89 1ttv h VAL 89 CO 0.98 0.00 0.63 0.50 -1.23 0.00 0.00 177.57 178.45 1ttv h LYS 90 N 0.00 0.39 -4.54 5.19 1.63 -1.91 -3.18 116.57 114.15 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 0.10 -0.09 -0.20 0.00 -0.60 0.00 0.00 32.23 31.45 1ttv h LYS 90 CO 0.00 0.26 1.02 -1.21 -3.45 0.00 0.00 179.45 176.07 1ttv s GLU 91 N -5.44 3.99 0.47 1.90 2.02 -1.04 -4.84 118.70 115.77 1ttv s GLU 91 Ca -0.08 -2.54 0.16 0.00 0.02 0.00 0.00 54.97 52.53 1ttv s GLU 91 Cb 0.23 -4.91 1.13 0.00 0.10 0.00 0.00 34.13 30.69 1ttv s GLU 91 CO 0.79 -1.65 2.03 0.45 0.02 0.00 0.00 175.26 176.90 1ttv h HIS 92 N 7.41 0.26 -0.52 1.61 3.86 -1.85 -0.93 115.15 124.99 1ttv h HIS 92 Ca 0.25 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1ttv h HIS 92 Cb 0.91 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 29.27 1ttv h HIS 92 CO 1.05 0.14 0.32 0.00 0.86 0.00 0.00 177.93 180.29 1ttv h ARG 93 N 0.26 0.70 -0.01 2.45 3.08 -1.91 -1.19 114.38 117.75 1ttv h ARG 93 Ca 0.19 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1ttv h ARG 93 Cb 0.43 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1ttv h ARG 93 CO -0.04 0.49 -0.01 0.00 -1.07 0.00 0.00 179.97 179.34 1ttv h ARG 94 N 0.72 0.02 0.76 0.04 2.47 -1.56 -2.51 114.38 114.31 1ttv h ARG 94 Ca 0.19 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.86 1ttv h ARG 94 Cb -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.29 1ttv h ARG 94 CO -0.04 0.51 -0.39 0.82 0.56 0.00 0.00 179.97 181.44 1ttv h ILE 95 N -0.47 0.00 -0.55 2.04 2.04 -1.37 0.18 117.51 119.39 1ttv h ILE 95 Ca 0.00 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.02 1ttv h ILE 95 Cb 0.51 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1ttv h ILE 95 CO 0.00 0.00 0.55 0.22 0.00 0.00 0.00 178.15 178.92 1ttv h TYR 96 N -1.05 0.00 0.00 1.37 3.20 -1.35 0.22 116.97 119.36 1ttv h TYR 96 Ca -0.10 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.76 1ttv h TYR 96 Cb 0.81 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 1ttv h TYR 96 CO 0.02 0.00 -0.03 0.00 -1.64 0.00 0.00 178.16 176.50 1ttv h ALA 97 N 1.41 0.01 -0.68 1.82 0.00 -0.96 -2.63 119.26 118.22 1ttv h ALA 97 Ca 0.26 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1ttv h ALA 97 Cb 1.36 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1ttv h ALA 97 CO -0.00 0.02 0.25 0.00 0.00 0.00 0.00 179.25 179.52 1ttv h MET 98 N -1.00 1.01 -0.03 0.00 -0.00 0.26 -2.09 114.93 113.09 1ttv h MET 98 Ca -0.01 -0.18 -0.12 0.00 -0.00 0.00 0.00 59.70 59.39 1ttv h MET 98 Cb 0.67 -0.16 -0.02 0.00 -0.00 0.00 0.00 31.60 32.09 1ttv h MET 98 CO -0.00 0.84 -0.55 -0.84 -0.00 0.00 0.00 176.91 176.36 1ttv h ILE 99 N 0.99 1.38 -0.38 -0.10 -0.00 -0.75 -2.89 117.51 115.75 1ttv h ILE 99 Ca 0.23 -1.87 -0.10 0.00 -0.00 0.00 0.00 64.86 63.12 1ttv h ILE 99 Cb 0.22 1.98 -0.01 0.00 -0.00 0.00 0.00 36.82 39.01 1ttv h ILE 99 CO -0.02 0.54 -0.13 -1.28 -0.00 0.00 0.00 178.15 177.26 1ttv h SER 100 N 0.07 0.78 0.78 2.16 0.87 -1.03 -2.65 113.55 114.52 1ttv h SER 100 Ca -0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1ttv h SER 100 Cb 0.99 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.73 1ttv h SER 100 CO 0.08 0.99 0.00 0.03 -0.53 0.00 0.00 176.83 177.39 1ttv h ARG 101 N 0.57 0.00 -1.04 2.24 3.08 -1.32 -2.87 114.38 115.04 1ttv h ARG 101 Ca 0.09 0.00 -0.40 0.00 0.07 0.00 0.00 59.98 59.74 1ttv h ARG 101 Cb 0.67 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 30.49 1ttv h ARG 101 CO 0.05 0.00 0.51 0.09 -1.07 0.00 0.00 179.97 179.55 1ttv n ASN 102 N -2.46 4.14 -4.18 7.04 3.02 -1.00 -4.83 115.26 117.00 1ttv n ASN 102 Ca 0.02 -3.23 -0.35 0.00 -0.03 0.00 0.00 54.58 50.98 1ttv n ASN 102 Cb 0.24 -0.80 -0.13 0.00 -0.61 0.00 0.00 39.78 38.49 1ttv n ASN 102 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ttv s LEU 103 N -2.50 4.21 -0.00 3.41 1.43 -1.08 -0.75 118.68 123.39 1ttv s LEU 103 Ca 0.43 -1.40 -0.24 0.00 -1.03 0.00 0.00 54.13 51.89 1ttv s LEU 103 Cb 0.36 -1.75 -0.16 0.00 0.03 0.00 0.00 46.19 44.66 1ttv s LEU 103 CO 0.07 -0.32 1.19 -0.37 0.23 0.00 0.00 176.35 177.14 1ttv h VAL 104 N 6.41 0.73 -3.34 -1.59 -1.51 -0.79 -3.40 116.25 112.75 1ttv h VAL 104 Ca -0.20 -0.68 -0.72 0.00 -1.23 0.00 0.00 66.70 63.87 1ttv h VAL 104 Cb 1.06 1.08 -0.31 0.00 -2.13 0.00 0.00 31.29 30.99 1ttv h VAL 104 CO 0.57 0.13 -0.43 -0.55 -1.23 0.00 0.00 177.57 176.07 1ttv s SER 105 N -5.15 5.60 -0.24 4.19 0.15 -1.11 -4.98 113.70 112.17 1ttv s SER 105 Ca -0.14 -1.93 -0.03 0.00 0.70 0.00 0.00 55.95 54.55 1ttv s SER 105 Cb 0.02 -1.97 0.01 0.00 -1.71 0.00 0.00 66.02 62.37 1ttv s SER 105 CO 0.54 -0.66 -0.05 0.00 1.20 0.00 0.00 173.24 174.27 1ttv s ALA 106 N 1.31 2.76 -0.47 5.45 0.00 -1.26 0.46 121.76 130.02 1ttv s ALA 106 Ca 0.06 -1.31 -0.26 0.00 0.00 0.00 0.00 51.96 50.45 1ttv s ALA 106 Cb -0.25 -1.71 -0.07 0.00 0.00 0.00 0.00 23.12 21.09 1ttv s ALA 106 CO -0.01 -0.62 2.37 0.54 0.00 0.00 0.00 175.76 178.03 1ttv s ASN 107 N 1.41 4.56 0.64 0.00 4.22 -1.21 -4.92 114.94 119.63 1ttv s ASN 107 Ca 0.03 1.13 -0.17 0.00 -2.14 0.00 0.00 52.86 51.71 1ttv s ASN 107 Cb -0.15 -2.50 -0.01 0.00 1.28 0.00 0.00 41.25 39.86 1ttv s ASN 107 CO -0.04 -2.78 1.19 0.68 -2.04 0.00 0.00 177.10 174.11 1ttv s VAL 108 N 11.73 2.66 -0.67 3.54 -7.23 -1.26 -4.91 120.40 124.26 1ttv s VAL 108 Ca 0.97 0.37 -0.08 0.00 -1.81 0.00 0.00 61.98 61.43 1ttv s VAL 108 Cb -0.18 -3.04 0.17 0.00 0.56 0.00 0.00 36.38 33.89 1ttv s VAL 108 CO 0.27 -0.13 0.54 -1.59 -0.31 0.00 0.00 175.10 173.88 1ttv s LYS 109 N -3.59 2.93 0.12 4.82 -2.85 -1.26 -5.01 119.74 114.91 1ttv s LYS 109 Ca 0.75 -2.37 -0.22 0.00 -1.00 0.00 0.00 55.97 53.13 1ttv s LYS 109 Cb -0.28 -4.03 0.08 0.00 -2.06 0.00 0.00 37.83 31.54 1ttv s LYS 109 CO 0.37 -1.22 1.05 0.39 0.10 0.00 0.00 175.35 176.04 1ttv n GLU 110 N 3.93 0.49 -3.78 1.78 -0.58 -1.26 -5.13 120.64 116.09 1ttv n GLU 110 Ca 0.07 -1.22 -0.37 0.00 -0.42 0.00 0.00 57.16 55.22 1ttv n GLU 110 Cb 0.42 1.71 -0.12 0.00 -0.57 0.00 0.00 31.44 32.88 1ttv n GLU 110 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1ttv s SER 111 N -3.43 5.22 -0.38 1.62 1.04 -1.26 -5.07 113.70 111.45 1ttv s SER 111 Ca 0.24 -1.51 -0.24 0.00 0.48 0.00 0.00 55.95 54.92 1ttv s SER 111 Cb -0.02 -1.83 0.01 0.00 0.10 0.00 0.00 66.02 64.28 1ttv s SER 111 CO 0.04 -0.41 0.85 -0.94 0.98 0.00 0.00 173.24 173.76 1ttv s SER 112 N 1.60 6.59 0.43 7.02 1.04 -1.26 -5.04 113.70 124.08 1ttv s SER 112 Ca 0.01 0.40 0.07 0.00 0.48 0.00 0.00 55.95 56.91 1ttv s SER 112 Cb -0.21 -2.42 0.01 0.00 0.10 0.00 0.00 66.02 63.50 1ttv s SER 112 CO -0.01 -0.81 0.59 -1.61 0.98 0.00 0.00 173.24 172.38 1ttv s GLU 113 N 3.29 2.81 0.32 4.02 2.02 -1.26 -5.11 118.70 124.79 1ttv s GLU 113 Ca 0.34 -1.18 -0.03 0.00 0.02 0.00 0.00 54.97 54.12 1ttv s GLU 113 Cb -0.12 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.33 1ttv s GLU 113 CO 0.18 -0.30 0.56 -0.51 0.02 0.00 0.00 175.26 175.21 1ttv s ASP 114 N -4.35 6.38 -0.41 -0.19 1.11 -1.26 -5.07 116.67 112.88 1ttv s ASP 114 Ca 0.55 0.62 -0.05 0.00 0.18 0.00 0.00 52.55 53.85 1ttv s ASP 114 Cb -0.10 -2.11 0.10 0.00 1.07 0.00 0.00 42.92 41.88 1ttv s ASP 114 CO 0.33 -0.25 0.22 -0.63 1.18 0.00 0.00 175.17 176.02 1ttv s ILE 115 N -2.20 3.61 0.32 0.77 1.01 -1.26 -4.93 121.20 118.52 1ttv s ILE 115 Ca 0.42 -1.79 0.14 0.00 0.00 0.00 0.00 60.65 59.42 1ttv s ILE 115 Cb -0.10 -3.35 0.08 0.00 0.01 0.00 0.00 42.46 39.09 1ttv s ILE 115 CO 0.33 -0.60 1.77 -0.26 0.00 0.00 0.00 174.94 176.19 1ttv h PHE 116 N 8.19 0.00 0.00 3.97 0.04 -2.04 -3.46 116.94 123.63 1ttv h PHE 116 Ca -0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.60 1ttv h PHE 116 Cb 1.06 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.21 1ttv h PHE 116 CO 0.59 0.42 0.00 0.41 -0.60 0.00 0.00 178.31 179.13 1ttv n GLY 117 N -0.20 1.32 3.31 -1.45 0.00 -1.26 -5.13 105.19 101.78 1ttv n GLY 117 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 3.93 0.00 1.61 3.04 -1.26 -5.35 114.94 114.90 1ttv s ASN 118 Ca 0.00 -0.40 0.17 0.00 0.04 0.00 0.00 52.86 52.67 1ttv s ASN 118 Cb 0.00 -1.62 1.01 0.00 -1.54 0.00 0.00 41.25 39.10 1ttv s ASN 118 CO 0.00 0.09 1.41 1.33 -3.04 0.00 0.00 177.10 176.89