#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 2.74 0.00 -2.53 3.76 -1.26 -4.91 115.29 113.09 1ttv s HIS 14 Ca 0.00 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.44 1ttv s HIS 14 Cb 0.00 -3.38 0.00 0.00 1.11 0.00 0.00 32.58 30.31 1ttv s HIS 14 CO 0.00 -1.65 0.00 0.44 -0.85 0.00 0.00 174.74 172.68 1ttv n ILE 15 N -0.86 0.00 0.00 0.60 -5.35 -1.26 -5.05 119.36 107.44 1ttv n ILE 15 Ca 0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 1ttv n ILE 15 Cb 0.49 -0.09 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 1ttv n ILE 15 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1ttv n SER 16 N -1.80 0.00 -4.41 7.28 2.88 -1.26 -4.71 113.62 111.60 1ttv n SER 16 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1ttv n SER 16 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1ttv n SER 16 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1ttv s THR 17 N 0.00 1.03 0.07 2.46 2.01 -1.26 -5.10 115.64 114.86 1ttv s THR 17 Ca 0.00 -2.00 -0.31 0.00 0.31 0.00 0.00 61.69 59.69 1ttv s THR 17 Cb 0.00 -2.72 -0.10 0.00 0.01 0.00 0.00 72.50 69.69 1ttv s THR 17 CO 0.00 -0.03 1.92 -1.54 -0.69 0.00 0.00 174.62 174.29 1ttv n SER 18 N -0.61 4.14 -2.07 3.53 3.41 -1.26 -4.87 113.62 115.89 1ttv n SER 18 Ca -0.02 0.94 -0.17 0.00 -0.26 0.00 0.00 58.87 59.36 1ttv n SER 18 Cb 0.66 -1.54 0.20 0.00 -0.26 0.00 0.00 64.21 63.28 1ttv n SER 18 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ttv n ASP 19 N 6.78 3.98 -4.34 4.04 8.00 -1.26 -4.89 116.55 128.86 1ttv n ASP 19 Ca 0.19 -3.36 -0.33 0.00 0.71 0.00 0.00 54.79 51.99 1ttv n ASP 19 Cb 0.39 -0.79 -0.14 0.00 -0.02 0.00 0.00 41.12 40.56 1ttv n ASP 19 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 1ttv s GLN 20 N -2.95 3.36 0.00 -1.24 0.74 -1.26 -5.12 119.66 113.20 1ttv s GLN 20 Ca 0.52 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 55.25 1ttv s GLN 20 Cb 0.43 -2.74 0.00 0.00 1.10 0.00 0.00 33.01 31.80 1ttv s GLN 20 CO 0.11 0.08 0.00 0.39 -0.55 0.00 0.00 175.29 175.31 1ttv n GLU 21 N 3.94 2.12 -0.93 1.67 -0.58 -1.26 -4.69 120.64 120.91 1ttv n GLU 21 Ca -0.18 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.56 1ttv n GLU 21 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 1ttv n GLU 21 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ttv n LYS 22 N -0.40 -0.33 -1.30 3.49 4.76 -1.26 -4.99 118.16 118.13 1ttv n LYS 22 Ca 0.00 0.08 -0.32 0.00 -2.87 0.00 0.00 58.31 55.20 1ttv n LYS 22 Cb 0.00 -3.39 0.09 0.00 -1.84 0.00 0.00 35.03 29.90 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 3.12 0.35 -0.35 1.02 -1.26 -4.60 118.68 116.95 1ttv s LEU 23 Ca 0.00 1.99 0.08 0.00 0.02 0.00 0.00 54.13 56.22 1ttv s LEU 23 Cb 0.00 -4.54 -0.07 0.00 0.02 0.00 0.00 46.19 41.60 1ttv s LEU 23 CO 0.00 -2.15 -0.06 0.68 0.02 0.00 0.00 176.35 174.83 1ttv s VAL 24 N -2.62 2.08 -0.39 -1.59 -7.23 0.44 -3.05 120.40 108.03 1ttv s VAL 24 Ca 0.65 -2.15 0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1ttv s VAL 24 Cb -0.20 -2.70 0.11 0.00 0.56 0.00 0.00 36.38 34.15 1ttv s VAL 24 CO 0.52 -0.17 0.15 -1.58 -0.31 0.00 0.00 175.10 173.71 1ttv s GLN 25 N -3.66 1.78 0.24 4.82 2.00 -0.79 -0.26 119.66 123.79 1ttv s GLN 25 Ca 0.33 -1.94 -0.31 0.00 -2.00 0.00 0.00 55.36 51.44 1ttv s GLN 25 Cb 0.04 -3.40 -0.11 0.00 0.80 0.00 0.00 33.01 30.35 1ttv s GLN 25 CO 0.16 -1.02 1.57 -2.14 -0.50 0.00 0.00 175.29 173.36 1ttv s PRO 26 N 0.87 4.18 0.97 1.67 0.02 -1.26 -0.44 135.00 141.01 1ttv s PRO 26 Ca 0.11 2.46 -0.13 0.00 0.02 0.00 0.00 61.00 63.45 1ttv s PRO 26 Cb -0.21 -3.09 0.05 0.00 0.02 0.00 0.00 34.50 31.27 1ttv s PRO 26 CO -0.06 -0.59 0.40 0.25 -0.33 0.00 0.00 177.00 176.68 1ttv n THR 27 N 2.92 0.00 -0.22 0.99 -2.24 -0.87 -4.27 114.28 110.60 1ttv n THR 27 Ca 0.10 -0.19 0.32 0.00 -2.27 0.00 0.00 64.05 62.00 1ttv n THR 27 Cb 0.38 -0.64 0.71 0.00 -2.10 0.00 0.00 70.33 68.68 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 -1.63 0.00 0.23 -0.78 0.13 -1.93 0.17 132.00 128.18 1ttv h PRO 28 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1ttv h PRO 28 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1ttv h PRO 28 CO 0.35 0.00 -0.11 1.25 -0.23 0.00 0.00 178.00 179.26 1ttv h LEU 29 N 0.00 -0.26 -1.56 1.56 5.85 -1.97 -3.10 115.31 115.82 1ttv h LEU 29 Ca 0.48 0.01 0.15 0.00 0.84 0.00 0.00 57.88 59.36 1ttv h LEU 29 Cb 2.16 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 43.21 1ttv h LEU 29 CO -0.01 0.09 0.50 0.25 -0.34 0.00 0.00 178.44 178.94 1ttv h LEU 30 N -0.85 0.41 0.27 2.25 5.85 -1.64 -2.51 115.31 119.09 1ttv h LEU 30 Ca -0.03 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1ttv h LEU 30 Cb 0.23 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1ttv h LEU 30 CO 0.05 0.21 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.87 1ttv h LEU 31 N 0.44 -1.20 -0.98 2.25 3.38 -0.78 -1.53 115.31 116.89 1ttv h LEU 31 Ca 0.37 0.11 0.25 0.00 0.09 0.00 0.00 57.88 58.70 1ttv h LEU 31 Cb 0.82 0.42 -0.13 0.00 0.09 0.00 0.00 40.66 41.86 1ttv h LEU 31 CO -0.12 -0.50 0.54 -1.28 0.09 0.00 0.00 178.44 177.16 1ttv h SER 32 N -0.73 0.55 -0.57 -0.43 0.87 -1.37 0.86 113.55 112.74 1ttv h SER 32 Ca -0.03 0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1ttv h SER 32 Cb 0.67 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 1ttv h SER 32 CO -0.13 0.03 0.38 -0.07 -0.53 0.00 0.00 176.83 176.50 1ttv h LEU 33 N 0.49 0.65 -0.21 2.23 3.38 -1.31 -1.06 115.31 119.47 1ttv h LEU 33 Ca 0.64 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.55 1ttv h LEU 33 Cb 1.27 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1ttv h LEU 33 CO -0.52 0.47 -0.06 -0.07 0.09 0.00 0.00 178.44 178.35 1ttv h LEU 34 N 0.77 0.42 -1.44 1.67 3.38 0.85 0.90 115.31 121.86 1ttv h LEU 34 Ca 0.21 -0.38 0.27 0.00 0.09 0.00 0.00 57.88 58.08 1ttv h LEU 34 Cb -0.08 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.47 1ttv h LEU 34 CO -0.05 0.70 0.68 0.11 0.09 0.00 0.00 178.44 179.97 1ttv h LYS 35 N 0.14 0.34 0.00 1.13 1.79 1.00 0.36 116.57 121.32 1ttv h LYS 35 Ca 0.05 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.45 1ttv h LYS 35 Cb 0.52 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1ttv h LYS 35 CO 0.02 0.22 -1.36 0.43 -1.08 0.00 0.00 179.45 177.68 1ttv n SER 36 N -4.58 0.63 0.00 0.86 7.64 -0.45 -3.97 113.62 113.76 1ttv n SER 36 Ca 0.25 0.25 0.13 0.00 1.01 0.00 0.00 58.87 60.51 1ttv n SER 36 Cb 0.91 0.76 0.59 0.00 -1.01 0.00 0.00 64.21 65.45 1ttv n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ttv n ALA 37 N -2.26 2.23 0.00 -0.43 0.00 0.11 -4.85 120.51 115.32 1ttv n ALA 37 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ttv n ALA 37 Cb 0.64 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.14 1.21 3.58 0.00 0.00 -0.47 -4.80 105.19 105.86 1ttv n GLY 38 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 2.98 -0.08 4.61 0.00 -0.53 -5.01 121.76 121.73 1ttv s ALA 39 Ca 0.00 -1.15 0.12 0.00 0.00 0.00 0.00 51.96 50.93 1ttv s ALA 39 Cb 0.00 -0.99 0.18 0.00 0.00 0.00 0.00 23.12 22.31 1ttv s ALA 39 CO 0.00 0.63 1.09 0.94 0.00 0.00 0.00 175.76 178.43 1ttv n GLN 40 N 1.06 0.77 -4.31 0.00 -0.06 -1.26 -4.53 117.38 109.05 1ttv n GLN 40 Ca -0.14 -1.97 -0.20 0.00 -2.00 0.00 0.00 57.00 52.68 1ttv n GLN 40 Cb 0.52 -1.09 -0.08 0.00 -4.06 0.00 0.00 30.24 25.54 1ttv n GLN 40 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 1ttv s LYS 41 N -1.71 1.81 -0.15 3.69 0.00 -1.26 -5.07 119.74 117.04 1ttv s LYS 41 Ca 0.20 -2.06 0.18 0.00 0.00 0.00 0.00 55.97 54.29 1ttv s LYS 41 Cb 0.18 0.26 -0.26 0.00 0.00 0.00 0.00 37.83 38.00 1ttv s LYS 41 CO 0.01 -0.66 0.20 0.39 0.00 0.00 0.00 175.35 175.29 1ttv n GLU 42 N -0.67 0.68 -4.32 1.78 1.02 -1.26 -4.92 120.64 112.95 1ttv n GLU 42 Ca 0.07 -0.02 -0.31 0.00 -0.02 0.00 0.00 57.16 56.87 1ttv n GLU 42 Cb 0.62 -1.54 -0.10 0.00 -0.02 0.00 0.00 31.44 30.41 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 -2.70 3.76 -0.09 2.62 2.01 -1.26 -4.16 115.64 115.82 1ttv s THR 43 Ca -0.09 -0.88 -0.13 0.00 0.31 0.00 0.00 61.69 60.90 1ttv s THR 43 Cb 0.08 -2.70 0.03 0.00 0.01 0.00 0.00 72.50 69.92 1ttv s THR 43 CO 0.84 0.28 0.33 -0.36 -0.69 0.00 0.00 174.62 175.02 1ttv s PHE 44 N -1.12 -0.30 0.44 4.92 0.40 0.64 -4.94 117.98 118.02 1ttv s PHE 44 Ca 0.20 0.68 -0.21 0.00 -0.60 0.00 0.00 56.93 56.99 1ttv s PHE 44 Cb -0.11 0.12 -0.10 0.00 0.51 0.00 0.00 43.02 43.43 1ttv s PHE 44 CO 0.11 -0.26 0.98 0.95 0.70 0.00 0.00 175.22 177.71 1ttv s THR 45 N -0.37 4.14 0.42 0.64 -4.23 -1.26 -0.42 115.64 114.56 1ttv s THR 45 Ca -0.05 1.38 0.27 0.00 -1.18 0.00 0.00 61.69 62.11 1ttv s THR 45 Cb -0.03 -3.58 0.45 0.00 1.34 0.00 0.00 72.50 70.67 1ttv s THR 45 CO 0.02 -0.24 1.63 0.24 -0.54 0.00 0.00 174.62 175.72 1ttv h MET 46 N 1.92 0.11 -0.03 3.99 2.86 -1.94 0.55 114.93 122.39 1ttv h MET 46 Ca -0.49 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.14 1ttv h MET 46 Cb 1.20 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.83 1ttv h MET 46 CO 0.61 0.07 0.01 -0.22 1.06 0.00 0.00 176.91 178.44 1ttv h LYS 47 N 0.11 0.04 -0.38 1.72 1.63 -1.97 0.21 116.57 117.94 1ttv h LYS 47 Ca 0.81 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 60.54 1ttv h LYS 47 Cb 2.39 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 34.00 1ttv h LYS 47 CO -0.48 0.15 0.01 0.93 -3.45 0.00 0.00 179.45 176.60 1ttv h GLU 48 N -0.07 0.66 -0.04 1.90 4.39 -0.42 0.18 114.58 121.18 1ttv h GLU 48 Ca 0.01 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.53 1ttv h GLU 48 Cb 0.12 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1ttv h GLU 48 CO -0.00 0.76 -0.13 0.28 -1.16 0.00 0.00 179.01 178.75 1ttv h VAL 49 N 0.48 0.66 0.00 3.13 2.07 -0.51 0.51 116.25 122.59 1ttv h VAL 49 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1ttv h VAL 49 Cb 0.46 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1ttv h VAL 49 CO 0.02 0.00 -0.05 0.25 0.02 0.00 0.00 177.57 177.81 1ttv h LEU 50 N -0.20 0.00 0.15 2.57 6.46 -0.51 -2.62 115.31 121.16 1ttv h LEU 50 Ca 0.06 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1ttv h LEU 50 Cb 0.29 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.22 1ttv h LEU 50 CO -0.16 0.05 -0.07 0.22 -0.62 0.00 0.00 178.44 177.86 1ttv h TYR 51 N 0.00 -0.19 -0.84 1.25 3.20 0.52 -3.21 116.97 117.69 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 0.44 0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.70 1ttv h TYR 51 CO 0.00 0.01 0.50 0.45 -1.64 0.00 0.00 178.16 177.47 1ttv h HIS 52 N -1.03 0.91 -0.59 -3.82 -0.00 -0.98 -2.01 115.15 107.63 1ttv h HIS 52 Ca -0.02 0.03 0.12 0.00 -0.00 0.00 0.00 60.37 60.50 1ttv h HIS 52 Cb 0.28 -0.28 -0.12 0.00 -0.00 0.00 0.00 27.41 27.30 1ttv h HIS 52 CO 0.03 0.40 -0.20 1.25 -0.00 0.00 0.00 177.93 179.42 1ttv h LEU 53 N 0.86 -0.72 -1.37 2.43 5.85 -1.58 1.64 115.31 122.41 1ttv h LEU 53 Ca 0.39 0.19 0.14 0.00 0.84 0.00 0.00 57.88 59.44 1ttv h LEU 53 Cb 0.30 0.43 -0.06 0.00 0.37 0.00 0.00 40.66 41.70 1ttv h LEU 53 CO -0.22 -0.23 0.54 1.23 -0.34 0.00 0.00 178.44 179.42 1ttv h GLY 54 N -0.05 1.04 1.86 3.75 0.00 -1.37 0.18 103.07 108.49 1ttv h GLY 54 Ca 0.28 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 47.15 1ttv h GLY 54 CO -0.64 0.10 -0.93 1.46 0.00 0.00 0.00 176.54 176.53 1ttv h GLN 55 N 0.63 0.00 -0.22 4.80 4.20 0.09 -3.06 115.11 121.55 1ttv h GLN 55 Ca 0.41 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.08 1ttv h GLN 55 Cb 0.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 1ttv h GLN 55 CO -0.17 0.77 -0.04 -0.92 -0.67 0.00 0.00 178.83 177.80 1ttv h TYR 56 N 0.00 0.46 0.61 2.96 3.20 0.48 -1.96 116.97 122.72 1ttv h TYR 56 Ca -0.04 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.71 1ttv h TYR 56 Cb 1.67 -0.11 0.01 0.00 1.54 0.00 0.00 36.73 39.83 1ttv h TYR 56 CO 0.00 0.64 -0.29 0.82 -1.64 0.00 0.00 178.16 177.68 1ttv h ILE 57 N 0.15 0.23 -0.89 1.81 2.04 -0.91 -1.86 117.51 118.07 1ttv h ILE 57 Ca 0.06 -0.33 0.16 0.00 1.00 0.00 0.00 64.86 65.75 1ttv h ILE 57 Cb 0.48 0.31 -0.10 0.00 -0.74 0.00 0.00 36.82 36.77 1ttv h ILE 57 CO 0.02 0.03 0.48 0.00 0.00 0.00 0.00 178.15 178.67 1ttv h MET 58 N -1.08 0.62 0.77 2.37 -0.00 -1.62 0.81 114.93 116.81 1ttv h MET 58 Ca -0.08 -0.04 -0.04 0.00 -0.00 0.00 0.00 59.70 59.54 1ttv h MET 58 Cb 0.68 -0.14 0.01 0.00 -0.00 0.00 0.00 31.60 32.15 1ttv h MET 58 CO 0.14 0.41 -0.37 0.00 -0.00 0.00 0.00 176.91 177.09 1ttv h ALA 59 N 1.59 -1.04 0.00 -3.00 0.00 -1.33 -2.77 119.26 112.71 1ttv h ALA 59 Ca 0.50 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1ttv h ALA 59 Cb 0.74 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ttv h ALA 59 CO -0.38 -1.02 -0.01 0.87 0.00 0.00 0.00 179.25 178.71 1ttv h LYS 60 N -1.17 0.00 -4.24 0.00 6.56 -0.86 -3.47 116.57 113.39 1ttv h LYS 60 Ca -0.11 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.38 1ttv h LYS 60 Cb 0.81 0.00 0.08 0.00 -0.57 0.00 0.00 32.23 32.55 1ttv h LYS 60 CO 0.17 0.01 -0.34 0.94 -2.06 0.00 0.00 179.45 178.17 1ttv n GLN 61 N -3.14 -1.05 -0.38 3.15 -0.06 0.28 -4.96 117.38 111.22 1ttv n GLN 61 Ca -0.01 0.57 0.11 0.00 -2.00 0.00 0.00 57.00 55.66 1ttv n GLN 61 Cb 0.19 -3.71 0.31 0.00 -4.06 0.00 0.00 30.24 22.97 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 -2.17 3.95 -4.93 1.69 4.77 -1.01 -4.96 117.00 114.34 1ttv n LEU 62 Ca -0.03 -2.06 -0.28 0.00 -0.03 0.00 0.00 56.01 53.62 1ttv n LEU 62 Cb 0.55 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1ttv n LEU 62 CO 0.30 0.94 -0.04 -0.72 -1.33 0.00 0.00 177.39 176.53 1ttv s TYR 63 N -1.11 3.49 0.38 -1.77 -0.85 -1.26 -2.46 117.35 113.77 1ttv s TYR 63 Ca 0.47 0.25 -0.25 0.00 -0.52 0.00 0.00 57.07 57.02 1ttv s TYR 63 Cb 0.25 -1.78 -0.09 0.00 0.38 0.00 0.00 41.96 40.72 1ttv s TYR 63 CO 0.30 0.46 1.05 0.34 -1.52 0.00 0.00 175.55 176.18 1ttv s ASP 64 N -3.07 6.87 0.02 -0.18 -1.08 0.26 -4.91 116.67 114.58 1ttv s ASP 64 Ca 0.37 2.05 -0.27 0.00 -0.52 0.00 0.00 52.55 54.18 1ttv s ASP 64 Cb -0.11 -2.59 -0.16 0.00 -1.46 0.00 0.00 42.92 38.60 1ttv s ASP 64 CO 0.28 -0.41 1.23 -0.08 0.52 0.00 0.00 175.17 176.71 1ttv h GLU 65 N 2.73 -0.73 -0.20 4.34 4.22 -1.98 -3.25 114.58 119.71 1ttv h GLU 65 Ca -0.48 0.05 0.04 0.00 0.08 0.00 0.00 59.36 59.05 1ttv h GLU 65 Cb 1.21 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.59 1ttv h GLU 65 CO 0.63 -0.42 -0.02 1.57 -2.18 0.00 0.00 179.01 178.59 1ttv h LYS 66 N -1.02 0.03 -5.13 1.92 2.10 -2.01 -3.39 116.57 109.07 1ttv h LYS 66 Ca -0.08 -0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.90 1ttv h LYS 66 Cb 0.64 -0.01 -0.33 0.00 -0.90 0.00 0.00 32.23 31.64 1ttv h LYS 66 CO 0.13 0.02 -0.83 1.14 -2.00 0.00 0.00 179.45 177.91 1ttv s GLN 67 N -6.20 3.11 0.00 0.07 -2.07 -1.24 -4.98 119.66 108.35 1ttv s GLN 67 Ca -0.13 -0.79 0.29 0.00 -1.82 0.00 0.00 55.36 52.91 1ttv s GLN 67 Cb 0.10 -2.59 1.32 0.00 -1.09 0.00 0.00 33.01 30.74 1ttv s GLN 67 CO 0.69 -0.08 1.95 1.04 -1.32 0.00 0.00 175.29 177.56 1ttv n GLN 68 N 4.31 0.23 -0.34 9.60 3.00 -1.23 -3.09 117.38 129.86 1ttv n GLN 68 Ca -0.20 -0.02 0.06 0.00 -0.01 0.00 0.00 57.00 56.84 1ttv n GLN 68 Cb 0.51 -1.50 0.22 0.00 0.00 0.00 0.00 30.24 29.47 1ttv n GLN 68 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.06 174.67 1ttv n HIS 69 N -1.37 0.84 -5.24 1.08 1.44 -1.26 -4.75 115.22 105.95 1ttv n HIS 69 Ca 0.10 -0.35 -0.31 0.00 -2.01 0.00 0.00 57.72 55.15 1ttv n HIS 69 Cb 0.29 -0.12 -0.16 0.00 0.12 0.00 0.00 29.99 30.13 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 2.14 -0.35 0.61 -1.09 -1.20 -2.67 121.20 117.03 1ttv s ILE 70 Ca 0.32 -1.05 0.01 0.00 -2.23 0.00 0.00 60.65 57.70 1ttv s ILE 70 Cb 0.19 -1.77 0.11 0.00 -1.58 0.00 0.00 42.46 39.41 1ttv s ILE 70 CO 0.17 0.57 0.11 -0.69 -1.23 0.00 0.00 174.94 173.88 1ttv s VAL 71 N -0.30 1.45 -0.36 2.92 1.01 -0.65 -0.58 120.40 123.90 1ttv s VAL 71 Ca 0.01 -1.93 0.03 0.00 0.00 0.00 0.00 61.98 60.09 1ttv s VAL 71 Cb -0.13 -2.07 0.10 0.00 0.00 0.00 0.00 36.38 34.29 1ttv s VAL 71 CO 0.02 -0.69 0.08 -1.38 0.00 0.00 0.00 175.10 173.14 1ttv s HIS 72 N 1.14 3.37 -0.29 5.22 -3.43 -1.03 -1.34 115.29 118.93 1ttv s HIS 72 Ca 0.12 -2.83 -0.00 0.00 -0.80 0.00 0.00 55.06 51.54 1ttv s HIS 72 Cb -0.19 -2.72 0.09 0.00 -1.43 0.00 0.00 32.58 28.33 1ttv s HIS 72 CO -0.15 -0.91 0.07 0.00 -2.00 0.00 0.00 174.74 171.74 1ttv h SER 74 N 8.05 0.20 -3.71 0.00 4.64 -1.88 -3.38 113.55 117.47 1ttv h SER 74 Ca -0.14 -0.52 -0.77 0.00 -0.47 0.00 0.00 61.79 59.89 1ttv h SER 74 Cb 1.04 -0.06 -0.27 0.00 -0.31 0.00 0.00 62.40 62.80 1ttv h SER 74 CO 0.45 0.68 -0.02 0.20 -0.87 0.00 0.00 176.83 177.28 1ttv s ASN 75 N -5.97 6.49 -0.13 4.97 -0.87 -1.26 -4.73 114.94 113.44 1ttv s ASN 75 Ca -0.15 -2.53 -0.29 0.00 -1.57 0.00 0.00 52.86 48.32 1ttv s ASN 75 Cb 0.03 -2.17 0.08 0.00 -0.02 0.00 0.00 41.25 39.17 1ttv s ASN 75 CO 0.72 -0.61 0.77 -0.62 -2.57 0.00 0.00 177.10 174.79 1ttv s ASP 76 N 2.29 -0.61 0.57 -1.22 2.15 -1.26 -5.02 116.67 113.57 1ttv s ASP 76 Ca 0.15 0.83 0.27 0.00 0.43 0.00 0.00 52.55 54.23 1ttv s ASP 76 Cb -0.15 0.72 1.52 0.00 -0.30 0.00 0.00 42.92 44.71 1ttv s ASP 76 CO -0.06 -0.45 2.01 -0.65 -0.17 0.00 0.00 175.17 175.85 1ttv h PRO 77 N 3.44 0.00 -0.01 4.34 0.11 -1.94 -1.38 132.00 136.56 1ttv h PRO 77 Ca -0.26 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 1ttv h PRO 77 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ttv h PRO 77 CO 0.28 0.00 -0.09 1.25 -0.21 0.00 0.00 178.00 179.23 1ttv h LEU 78 N 0.00 0.10 -1.26 2.35 5.85 -1.95 -2.51 115.31 117.89 1ttv h LEU 78 Ca 0.17 -0.70 0.05 0.00 0.84 0.00 0.00 57.88 58.24 1ttv h LEU 78 Cb 0.85 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.80 1ttv h LEU 78 CO -0.00 0.79 0.53 1.23 -0.34 0.00 0.00 178.44 180.64 1ttv h GLY 79 N -0.58 1.13 2.00 3.75 0.00 -1.47 0.67 103.07 108.57 1ttv h GLY 79 Ca -0.01 -0.37 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 1ttv h GLY 79 CO 0.02 0.29 -0.33 1.05 0.00 0.00 0.00 176.54 177.56 1ttv h GLU 80 N 0.93 0.00 0.07 4.80 -0.00 -1.43 0.59 114.58 119.53 1ttv h GLU 80 Ca 0.34 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.69 1ttv h GLU 80 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.91 1ttv h GLU 80 CO -0.11 0.33 -0.03 1.25 -0.00 0.00 0.00 179.01 180.45 1ttv h LEU 81 N 0.00 -0.07 -1.58 3.06 5.85 -0.58 -3.34 115.31 118.64 1ttv h LEU 81 Ca -0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1ttv h LEU 81 Cb 0.91 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1ttv h LEU 81 CO 0.04 0.34 -0.22 -0.26 -0.34 0.00 0.00 178.44 178.01 1ttv h PHE 82 N -0.88 0.00 -1.01 1.25 0.04 -1.05 -3.47 116.94 111.82 1ttv h PHE 82 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1ttv h PHE 82 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1ttv h PHE 82 CO 0.00 0.22 0.00 0.41 -0.60 0.00 0.00 178.31 178.34 1ttv n GLY 83 N -0.56 0.94 3.17 -1.45 0.00 0.14 -5.08 105.19 102.36 1ttv n GLY 83 Ca -0.02 -0.66 -0.08 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 -2.97 0.15 -0.17 1.61 -7.23 -0.86 -5.04 120.40 105.88 1ttv s VAL 84 Ca 0.00 -1.60 0.14 0.00 -1.81 0.00 0.00 61.98 58.71 1ttv s VAL 84 Cb 0.00 -1.64 -0.24 0.00 0.56 0.00 0.00 36.38 35.07 1ttv s VAL 84 CO 0.00 -0.68 0.17 1.67 -0.31 0.00 0.00 175.10 175.95 1ttv n GLN 85 N -0.03 0.68 -3.56 4.82 7.27 -1.26 -4.51 117.38 120.78 1ttv n GLN 85 Ca -0.11 0.09 -0.17 0.00 0.07 0.00 0.00 57.00 56.88 1ttv n GLN 85 Cb 0.62 -1.58 -0.06 0.00 2.41 0.00 0.00 30.24 31.63 1ttv n GLN 85 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1ttv s GLU 86 N -2.52 1.01 0.02 3.69 -1.05 -1.26 -1.52 118.70 117.06 1ttv s GLU 86 Ca -0.13 0.12 -0.28 0.00 -0.15 0.00 0.00 54.97 54.53 1ttv s GLU 86 Cb 0.07 0.47 0.08 0.00 -0.44 0.00 0.00 34.13 34.31 1ttv s GLU 86 CO 0.80 -0.32 0.71 -0.59 0.95 0.00 0.00 175.26 176.80 1ttv s PHE 87 N -1.42 -0.55 0.01 4.83 -0.71 -0.45 -4.97 117.98 114.72 1ttv s PHE 87 Ca -0.10 0.69 -0.04 0.00 -1.04 0.00 0.00 56.93 56.43 1ttv s PHE 87 Cb -0.01 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.24 1ttv s PHE 87 CO 0.07 -0.66 0.23 -1.12 -1.34 0.00 0.00 175.22 172.41 1ttv s SER 88 N -1.88 6.43 -0.03 1.98 0.01 -1.26 -1.63 113.70 117.32 1ttv s SER 88 Ca -0.04 0.44 0.10 0.00 1.31 0.00 0.00 55.95 57.77 1ttv s SER 88 Cb -0.01 -2.04 0.34 0.00 0.21 0.00 0.00 66.02 64.53 1ttv s SER 88 CO -0.01 0.23 1.24 1.33 0.41 0.00 0.00 173.24 176.44 1ttv n VAL 89 N 0.89 0.69 0.08 3.43 0.24 -1.09 -3.97 118.33 118.61 1ttv n VAL 89 Ca -0.10 -0.54 -0.11 0.00 -2.04 0.00 0.00 64.34 61.56 1ttv n VAL 89 Cb 0.52 0.10 -0.06 0.00 -1.47 0.00 0.00 33.84 32.94 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 2.12 0.20 -4.24 7.34 3.64 -1.94 -3.38 116.57 120.32 1ttv h LYS 90 Ca 0.00 -0.26 -0.76 0.00 -1.27 0.00 0.00 60.65 58.36 1ttv h LYS 90 Cb 0.66 0.08 -0.22 0.00 -0.41 0.00 0.00 32.23 32.35 1ttv h LYS 90 CO 0.06 1.04 0.95 -1.83 -2.27 0.00 0.00 179.45 177.39 1ttv s GLU 91 N -3.00 4.13 0.49 1.90 -1.05 -1.25 -4.83 118.70 115.08 1ttv s GLU 91 Ca -0.03 -2.85 0.16 0.00 -0.15 0.00 0.00 54.97 52.10 1ttv s GLU 91 Cb 0.09 -4.84 1.20 0.00 -0.44 0.00 0.00 34.13 30.14 1ttv s GLU 91 CO 0.84 -1.54 2.08 0.45 0.95 0.00 0.00 175.26 178.05 1ttv h HIS 92 N 6.96 0.14 -0.99 4.83 3.86 -1.90 -1.83 115.15 126.23 1ttv h HIS 92 Ca 0.25 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.56 1ttv h HIS 92 Cb 0.88 -0.05 -0.07 0.00 1.06 0.00 0.00 27.41 29.22 1ttv h HIS 92 CO 0.95 0.08 0.63 0.00 0.86 0.00 0.00 177.93 180.46 1ttv h ARG 93 N 0.15 1.02 0.33 2.45 2.47 -1.96 0.60 114.38 119.44 1ttv h ARG 93 Ca 0.12 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.76 1ttv h ARG 93 Cb 0.28 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 1ttv h ARG 93 CO -0.02 0.68 -0.16 0.00 0.56 0.00 0.00 179.97 181.03 1ttv h ARG 94 N 1.06 -0.43 -0.62 0.04 2.47 -1.75 -3.01 114.38 112.13 1ttv h ARG 94 Ca 0.46 0.03 0.11 0.00 -1.26 0.00 0.00 59.98 59.32 1ttv h ARG 94 Cb 0.35 0.10 -0.09 0.00 -1.65 0.00 0.00 29.97 28.68 1ttv h ARG 94 CO -0.21 -0.14 0.15 0.82 0.56 0.00 0.00 179.97 181.15 1ttv h ILE 95 N -1.00 0.65 -0.65 2.04 2.04 -1.42 -0.31 117.51 118.85 1ttv h ILE 95 Ca -0.05 -0.10 0.10 0.00 1.00 0.00 0.00 64.86 65.81 1ttv h ILE 95 Cb 0.49 0.34 -0.07 0.00 -0.74 0.00 0.00 36.82 36.83 1ttv h ILE 95 CO 0.08 0.05 0.27 1.88 0.00 0.00 0.00 178.15 180.43 1ttv h TYR 96 N 0.29 0.48 0.00 1.37 0.05 -0.96 0.25 116.97 118.45 1ttv h TYR 96 Ca 0.33 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 59.07 1ttv h TYR 96 Cb 0.48 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 1ttv h TYR 96 CO -0.23 0.14 -0.32 0.00 -1.05 0.00 0.00 178.16 176.69 1ttv h ALA 97 N 1.43 1.07 0.45 3.88 0.00 -1.09 -3.07 119.26 121.94 1ttv h ALA 97 Ca 0.33 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ttv h ALA 97 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ttv h ALA 97 CO -0.30 0.40 -0.22 0.52 0.00 0.00 0.00 179.25 179.65 1ttv h MET 98 N 0.00 -0.59 -0.85 0.00 2.86 0.67 -3.05 114.93 113.97 1ttv h MET 98 Ca -0.00 0.04 0.10 0.00 -2.06 0.00 0.00 59.70 57.78 1ttv h MET 98 Cb 0.78 0.13 -0.08 0.00 0.06 0.00 0.00 31.60 32.50 1ttv h MET 98 CO 0.04 -0.28 0.50 0.82 1.06 0.00 0.00 176.91 179.04 1ttv h ILE 99 N -0.90 0.91 -0.49 -1.22 2.04 -1.41 -2.24 117.51 114.19 1ttv h ILE 99 Ca -0.06 -0.28 0.10 0.00 1.00 0.00 0.00 64.86 65.61 1ttv h ILE 99 Cb 0.58 0.01 -0.08 0.00 -0.74 0.00 0.00 36.82 36.59 1ttv h ILE 99 CO 0.10 0.15 -0.02 0.77 0.00 0.00 0.00 178.15 179.15 1ttv h SER 100 N 0.82 -0.25 0.45 1.72 4.64 -1.52 0.30 113.55 119.72 1ttv h SER 100 Ca 0.41 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1ttv h SER 100 Cb 0.39 0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1ttv h SER 100 CO -0.25 -0.09 0.00 0.03 -0.87 0.00 0.00 176.83 175.65 1ttv h ARG 101 N 0.09 0.00 -1.04 4.77 3.08 -1.29 -2.63 114.38 117.36 1ttv h ARG 101 Ca 0.24 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.85 1ttv h ARG 101 Cb 0.37 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 30.17 1ttv h ARG 101 CO -0.43 0.00 0.57 0.09 -1.07 0.00 0.00 179.97 179.14 1ttv n ASN 102 N -2.34 4.42 -3.89 7.04 3.02 0.11 -4.84 115.26 118.77 1ttv n ASN 102 Ca 0.00 -3.35 -0.28 0.00 -0.03 0.00 0.00 54.58 50.93 1ttv n ASN 102 Cb 0.16 -0.83 -0.17 0.00 -0.61 0.00 0.00 39.78 38.34 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 -2.75 1.53 0.04 3.41 1.43 -0.99 -2.04 118.68 119.30 1ttv s LEU 103 Ca 0.47 -0.61 -0.20 0.00 -1.03 0.00 0.00 54.13 52.77 1ttv s LEU 103 Cb 0.39 -0.89 -0.10 0.00 0.03 0.00 0.00 46.19 45.62 1ttv s LEU 103 CO 0.07 -0.18 1.31 -0.37 0.23 0.00 0.00 176.35 177.41 1ttv h VAL 104 N 6.35 0.00 -3.36 -1.59 -1.51 -1.06 -3.42 116.25 111.66 1ttv h VAL 104 Ca -0.25 0.00 -0.64 0.00 -1.23 0.00 0.00 66.70 64.59 1ttv h VAL 104 Cb 1.11 0.00 -0.21 0.00 -2.13 0.00 0.00 31.29 30.06 1ttv h VAL 104 CO 0.40 0.00 -0.65 -0.55 -1.23 0.00 0.00 177.57 175.54 1ttv s SER 105 N -3.23 4.95 -0.21 4.19 0.15 -1.26 -5.00 113.70 113.30 1ttv s SER 105 Ca -0.10 -0.12 -0.03 0.00 0.70 0.00 0.00 55.95 56.39 1ttv s SER 105 Cb 0.02 -1.83 -0.00 0.00 -1.71 0.00 0.00 66.02 62.49 1ttv s SER 105 CO 0.33 0.13 -0.07 0.00 1.20 0.00 0.00 173.24 174.82 1ttv s ALA 106 N 0.63 2.74 -0.60 5.45 0.00 -1.26 -1.89 121.76 126.83 1ttv s ALA 106 Ca -0.01 -1.16 -0.20 0.00 0.00 0.00 0.00 51.96 50.60 1ttv s ALA 106 Cb -0.14 -1.61 0.09 0.00 0.00 0.00 0.00 23.12 21.46 1ttv s ALA 106 CO 0.02 -0.38 0.77 -0.80 0.00 0.00 0.00 175.76 175.38 1ttv s ASN 107 N 1.39 6.19 0.21 0.00 0.01 -1.17 -5.02 114.94 116.54 1ttv s ASN 107 Ca 0.05 -1.22 0.08 0.00 -0.71 0.00 0.00 52.86 51.06 1ttv s ASN 107 Cb -0.14 -2.34 -0.05 0.00 0.41 0.00 0.00 41.25 39.14 1ttv s ASN 107 CO -0.04 -1.18 -0.15 0.54 -1.51 0.00 0.00 177.10 174.76 1ttv s VAL 108 N 3.09 1.80 -0.23 1.60 0.11 -1.26 -4.10 120.40 121.41 1ttv s VAL 108 Ca 0.15 -2.21 -0.12 0.00 -2.93 0.00 0.00 61.98 56.88 1ttv s VAL 108 Cb -0.21 -2.05 -0.05 0.00 -1.53 0.00 0.00 36.38 32.54 1ttv s VAL 108 CO 0.08 -0.56 0.22 -1.59 -3.33 0.00 0.00 175.10 169.92 1ttv s LYS 109 N -3.57 4.11 0.57 1.54 -2.85 -1.26 -4.96 119.74 113.32 1ttv s LYS 109 Ca 0.22 -0.15 0.00 0.00 -1.00 0.00 0.00 55.97 55.05 1ttv s LYS 109 Cb -0.01 -3.53 0.00 0.00 -2.06 0.00 0.00 37.83 32.23 1ttv s LYS 109 CO 0.07 0.06 0.00 -1.91 0.10 0.00 0.00 175.35 173.68 1ttv n GLU 110 N 4.25 -3.22 -2.65 1.78 0.00 -1.26 -4.85 120.64 114.68 1ttv n GLU 110 Ca -0.13 2.56 -0.33 0.00 0.00 0.00 0.00 57.16 59.26 1ttv n GLU 110 Cb 0.52 -3.79 -0.05 0.00 0.00 0.00 0.00 31.44 28.11 1ttv n GLU 110 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1ttv s SER 111 N -7.22 6.78 0.35 4.31 0.15 -1.26 -5.06 113.70 111.74 1ttv s SER 111 Ca 0.00 1.67 -0.01 0.00 0.70 0.00 0.00 55.95 58.30 1ttv s SER 111 Cb 0.00 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 1ttv s SER 111 CO 0.00 -0.48 0.58 -0.55 1.20 0.00 0.00 173.24 173.99 1ttv s SER 112 N -2.47 6.32 0.12 5.45 0.15 -1.26 -5.10 113.70 116.91 1ttv s SER 112 Ca 0.61 0.57 -0.01 0.00 0.70 0.00 0.00 55.95 57.82 1ttv s SER 112 Cb -0.10 -2.08 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 1ttv s SER 112 CO 0.20 -0.30 0.30 -1.83 1.20 0.00 0.00 173.24 172.80 1ttv s GLU 113 N -4.18 3.51 0.08 5.44 -1.05 -1.26 -5.10 118.70 116.13 1ttv s GLU 113 Ca 0.42 -0.34 -0.05 0.00 -0.15 0.00 0.00 54.97 54.85 1ttv s GLU 113 Cb -0.10 -2.94 -0.05 0.00 -0.44 0.00 0.00 34.13 30.60 1ttv s GLU 113 CO 0.36 0.52 0.32 0.16 0.95 0.00 0.00 175.26 177.56 1ttv s ASP 114 N -2.69 6.48 -0.41 0.83 -4.77 -1.26 -5.07 116.67 109.78 1ttv s ASP 114 Ca 0.37 0.54 -0.05 0.00 -3.30 0.00 0.00 52.55 50.11 1ttv s ASP 114 Cb -0.12 -2.07 0.10 0.00 -1.09 0.00 0.00 42.92 39.73 1ttv s ASP 114 CO 0.27 0.14 0.22 -0.63 0.70 0.00 0.00 175.17 175.87 1ttv s ILE 115 N -1.51 3.61 -0.02 2.11 1.01 -1.26 -4.86 121.20 120.28 1ttv s ILE 115 Ca 0.35 -1.79 0.09 0.00 0.00 0.00 0.00 60.65 59.30 1ttv s ILE 115 Cb -0.13 -3.35 -0.13 0.00 0.01 0.00 0.00 42.46 38.86 1ttv s ILE 115 CO 0.22 -0.60 0.17 0.49 0.00 0.00 0.00 174.94 175.23 1ttv n PHE 116 N 4.72 0.00 0.00 3.97 3.72 -1.26 -5.02 117.46 123.59 1ttv n PHE 116 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1ttv n PHE 116 Cb 0.42 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 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 2.06 1.00 3.06 1.37 0.00 -1.26 -5.13 105.19 106.29 1ttv n GLY 117 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1ttv n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ttv s ASN 118 N -1.94 3.21 0.00 1.61 2.20 -1.26 -5.33 114.94 113.44 1ttv s ASN 118 Ca 0.00 -0.74 0.00 0.00 -0.94 0.00 0.00 52.86 51.18 1ttv s ASN 118 Cb 0.00 -1.35 0.00 0.00 -2.00 0.00 0.00 41.25 37.90 1ttv s ASN 118 CO 0.00 -0.07 0.45 0.52 -2.94 0.00 0.00 177.10 175.06