#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 2.72 0.25 -2.53 2.46 -1.26 -4.93 115.29 112.00 1ttv s HIS 14 Ca 0.00 -0.16 0.07 0.00 0.47 0.00 0.00 55.06 55.43 1ttv s HIS 14 Cb 0.00 -1.43 -0.05 0.00 -0.13 0.00 0.00 32.58 30.96 1ttv s HIS 14 CO 0.00 0.42 -0.09 0.42 -2.47 0.00 0.00 174.74 173.02 1ttv s ILE 15 N -1.19 1.63 -0.65 0.89 1.01 -1.26 -5.09 121.20 116.54 1ttv s ILE 15 Ca 0.21 -2.15 0.05 0.00 0.00 0.00 0.00 60.65 58.75 1ttv s ILE 15 Cb -0.11 -2.28 0.28 0.00 0.01 0.00 0.00 42.46 40.36 1ttv s ILE 15 CO 0.13 -0.42 0.88 -1.54 0.00 0.00 0.00 174.94 173.98 1ttv n SER 16 N -0.49 4.22 -1.85 3.58 3.41 -1.26 -4.84 113.62 116.39 1ttv n SER 16 Ca -0.06 -3.53 -0.13 0.00 -0.26 0.00 0.00 58.87 54.89 1ttv n SER 16 Cb 0.62 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 1ttv n SER 16 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ttv n THR 17 N 0.51 -0.27 -4.25 6.66 -2.24 -1.26 -4.93 114.28 108.49 1ttv n THR 17 Ca 0.31 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.84 1ttv n THR 17 Cb 0.40 -1.51 -0.07 0.00 -2.10 0.00 0.00 70.33 67.05 1ttv n THR 17 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1ttv s SER 18 N -2.07 4.63 0.38 3.42 0.01 -1.26 -5.01 113.70 113.81 1ttv s SER 18 Ca 0.00 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1ttv s SER 18 Cb 0.00 -0.92 0.00 0.00 0.21 0.00 0.00 66.02 65.31 1ttv s SER 18 CO 0.00 0.04 0.00 -0.67 0.41 0.00 0.00 173.24 173.02 1ttv n ASP 19 N -0.53 -8.11 -4.60 2.44 2.03 -1.26 -5.01 116.55 101.51 1ttv n ASP 19 Ca -0.08 1.13 -0.28 0.00 0.52 0.00 0.00 54.79 56.07 1ttv n ASP 19 Cb 0.57 -4.13 -0.09 0.00 -0.72 0.00 0.00 41.12 36.75 1ttv n ASP 19 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1ttv s GLN 20 N -3.03 2.17 0.00 -0.67 0.74 -1.26 -5.09 119.66 112.51 1ttv s GLN 20 Ca 0.00 -1.10 0.00 0.00 0.05 0.00 0.00 55.36 54.31 1ttv s GLN 20 Cb 0.00 -2.28 0.00 0.00 1.10 0.00 0.00 33.01 31.83 1ttv s GLN 20 CO 0.00 0.48 0.00 0.39 -0.55 0.00 0.00 175.29 175.61 1ttv n GLU 21 N 0.36 0.00 -0.95 1.67 1.02 -1.26 -4.93 120.64 116.55 1ttv n GLU 21 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 1ttv n GLU 21 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 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 -0.38 -0.97 3.49 4.76 -1.26 -5.00 118.16 118.80 1ttv n LYS 22 Ca 0.00 0.10 -0.28 0.00 -2.87 0.00 0.00 58.31 55.25 1ttv n LYS 22 Cb 0.00 -3.41 0.21 0.00 -1.84 0.00 0.00 35.03 29.99 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 1.23 0.29 -0.35 1.02 -1.26 -4.66 118.68 114.94 1ttv s LEU 23 Ca 0.00 1.23 0.11 0.00 0.02 0.00 0.00 54.13 55.49 1ttv s LEU 23 Cb 0.00 -3.28 -0.05 0.00 0.02 0.00 0.00 46.19 42.87 1ttv s LEU 23 CO 0.00 -3.57 -0.17 0.68 0.02 0.00 0.00 176.35 173.31 1ttv s VAL 24 N -2.81 2.50 -0.41 -1.59 -7.23 0.11 -3.04 120.40 107.94 1ttv s VAL 24 Ca 0.67 -2.35 0.03 0.00 -1.81 0.00 0.00 61.98 58.51 1ttv s VAL 24 Cb -0.20 -2.38 0.12 0.00 0.56 0.00 0.00 36.38 34.47 1ttv s VAL 24 CO 0.60 -0.37 0.16 -1.58 -0.31 0.00 0.00 175.10 173.60 1ttv s GLN 25 N -3.53 1.44 0.53 4.82 2.00 -0.32 -1.14 119.66 123.46 1ttv s GLN 25 Ca 0.30 -1.97 -0.22 0.00 -2.00 0.00 0.00 55.36 51.47 1ttv s GLN 25 Cb -0.04 -2.83 -0.05 0.00 0.80 0.00 0.00 33.01 30.89 1ttv s GLN 25 CO 0.16 -1.04 1.39 -2.14 -0.50 0.00 0.00 175.29 173.15 1ttv s PRO 26 N 0.57 3.21 0.96 1.67 0.02 -1.26 -1.32 135.00 138.85 1ttv s PRO 26 Ca 0.14 2.30 -0.11 0.00 0.02 0.00 0.00 61.00 63.35 1ttv s PRO 26 Cb -0.22 -2.32 0.17 0.00 0.02 0.00 0.00 34.50 32.15 1ttv s PRO 26 CO -0.07 -1.16 1.11 0.95 -0.33 0.00 0.00 177.00 177.50 1ttv s THR 27 N -1.27 2.24 0.49 0.99 -4.23 -1.13 -4.46 115.64 108.26 1ttv s THR 27 Ca 0.70 0.08 0.31 0.00 -1.18 0.00 0.00 61.69 61.60 1ttv s THR 27 Cb -0.42 -2.20 0.51 0.00 1.34 0.00 0.00 72.50 71.73 1ttv s THR 27 CO 0.50 -0.10 1.76 1.55 -0.54 0.00 0.00 174.62 177.79 1ttv h PRO 28 N -1.95 0.13 0.35 3.99 0.13 -1.94 0.31 132.00 133.02 1ttv h PRO 28 Ca -0.48 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1ttv h PRO 28 Cb 1.28 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ttv h PRO 28 CO 0.46 0.08 -0.17 1.25 -0.23 0.00 0.00 178.00 179.39 1ttv h LEU 29 N 0.13 -0.40 -1.53 1.56 5.85 -1.98 -3.10 115.31 115.84 1ttv h LEU 29 Ca 0.63 0.01 0.16 0.00 0.84 0.00 0.00 57.88 59.52 1ttv h LEU 29 Cb 2.16 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 43.24 1ttv h LEU 29 CO -0.14 -0.00 0.54 0.25 -0.34 0.00 0.00 178.44 178.74 1ttv h LEU 30 N -1.05 0.42 0.19 2.25 5.85 -1.63 -2.48 115.31 118.87 1ttv h LEU 30 Ca -0.05 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1ttv h LEU 30 Cb 0.36 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1ttv h LEU 30 CO 0.08 0.21 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.94 1ttv h LEU 31 N 0.44 -1.11 -0.97 2.25 3.38 -0.45 -2.14 115.31 116.71 1ttv h LEU 31 Ca 0.40 0.11 0.26 0.00 0.09 0.00 0.00 57.88 58.74 1ttv h LEU 31 Cb 0.92 0.39 -0.13 0.00 0.09 0.00 0.00 40.66 41.93 1ttv h LEU 31 CO -0.14 -0.44 0.52 -1.28 0.09 0.00 0.00 178.44 177.20 1ttv h SER 32 N -0.62 0.52 -0.68 -0.43 0.87 -1.37 1.04 113.55 112.89 1ttv h SER 32 Ca -0.02 0.16 0.12 0.00 -1.23 0.00 0.00 61.79 60.82 1ttv h SER 32 Cb 0.58 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.60 1ttv h SER 32 CO -0.15 -0.00 0.46 -0.07 -0.53 0.00 0.00 176.83 176.53 1ttv h LEU 33 N 0.45 0.40 -0.07 2.23 3.38 -1.31 0.26 115.31 120.65 1ttv h LEU 33 Ca 0.65 0.01 -0.24 0.00 0.09 0.00 0.00 57.88 58.40 1ttv h LEU 33 Cb 1.32 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 1ttv h LEU 33 CO -0.54 0.23 -1.05 -0.07 0.09 0.00 0.00 178.44 177.11 1ttv h LEU 34 N 0.44 0.37 -1.73 1.67 3.38 0.14 -1.88 115.31 117.69 1ttv h LEU 34 Ca 0.32 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1ttv h LEU 34 Cb 0.66 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 1ttv h LEU 34 CO -0.10 1.20 0.33 0.11 0.09 0.00 0.00 178.44 180.07 1ttv h LYS 35 N 0.12 0.30 0.00 1.13 6.56 0.13 0.79 116.57 125.60 1ttv h LYS 35 Ca -0.09 -0.02 -0.07 0.00 -1.06 0.00 0.00 60.65 59.41 1ttv h LYS 35 Cb 1.73 -0.07 -0.01 0.00 -0.57 0.00 0.00 32.23 33.31 1ttv h LYS 35 CO 0.17 0.20 -1.56 0.45 -2.06 0.00 0.00 179.45 176.64 1ttv n SER 36 N -4.47 0.49 -0.12 0.86 2.88 -0.62 -3.99 113.62 108.65 1ttv n SER 36 Ca 0.07 0.20 0.12 0.00 -1.33 0.00 0.00 58.87 57.93 1ttv n SER 36 Cb 0.34 0.95 0.64 0.00 -0.75 0.00 0.00 64.21 65.39 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 -2.31 2.62 0.00 -1.46 0.00 -0.42 -4.84 120.51 114.10 1ttv n ALA 37 Ca -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1ttv n ALA 37 Cb 0.68 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 1.23 3.50 0.00 0.00 -0.68 -4.81 105.19 105.36 1ttv n GLY 38 Ca 0.18 0.00 -0.30 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 2.73 0.04 4.61 0.00 0.26 -4.99 121.76 122.42 1ttv s ALA 39 Ca 0.00 -1.24 -0.00 0.00 0.00 0.00 0.00 51.96 50.72 1ttv s ALA 39 Cb 0.00 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 1ttv s ALA 39 CO 0.00 0.60 -0.00 1.04 0.00 0.00 0.00 175.76 177.39 1ttv n GLN 40 N 1.14 0.00 -0.39 0.00 1.13 -1.26 -4.20 117.38 113.81 1ttv n GLN 40 Ca -0.15 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.69 1ttv n GLN 40 Cb 0.52 -0.24 0.21 0.00 0.11 0.00 0.00 30.24 30.84 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 -2.97 -3.41 -0.06 -1.09 0.00 -1.26 -4.96 118.16 104.40 1ttv n LYS 41 Ca -0.00 -1.01 -0.04 0.00 -0.00 0.00 0.00 58.31 57.25 1ttv n LYS 41 Cb 0.00 -1.65 -0.15 0.00 -0.00 0.00 0.00 35.03 33.23 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 -3.48 0.67 -4.11 -1.58 4.71 -1.26 -4.96 120.64 110.63 1ttv n GLU 42 Ca 0.09 -0.01 -0.27 0.00 -0.01 0.00 0.00 57.16 56.96 1ttv n GLU 42 Cb 0.43 -1.56 -0.06 0.00 -1.01 0.00 0.00 31.44 29.24 1ttv n GLU 42 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1ttv s THR 43 N -2.76 4.31 -0.09 2.62 2.01 -1.26 -4.40 115.64 116.06 1ttv s THR 43 Ca -0.09 -1.14 -0.22 0.00 0.31 0.00 0.00 61.69 60.56 1ttv s THR 43 Cb 0.08 -3.18 0.05 0.00 0.01 0.00 0.00 72.50 69.46 1ttv s THR 43 CO 0.85 -0.09 0.52 -0.36 -0.69 0.00 0.00 174.62 174.84 1ttv s PHE 44 N -1.72 -0.49 0.49 4.92 0.40 -0.29 -5.00 117.98 116.30 1ttv s PHE 44 Ca 0.30 0.98 -0.19 0.00 -0.60 0.00 0.00 56.93 57.42 1ttv s PHE 44 Cb -0.10 0.24 -0.08 0.00 0.51 0.00 0.00 43.02 43.58 1ttv s PHE 44 CO 0.22 -0.42 1.00 0.95 0.70 0.00 0.00 175.22 177.67 1ttv s THR 45 N -0.69 4.20 0.55 0.64 -4.23 -1.26 0.10 115.64 114.95 1ttv s THR 45 Ca -0.08 1.22 0.43 0.00 -1.18 0.00 0.00 61.69 62.09 1ttv s THR 45 Cb -0.03 -3.57 0.64 0.00 1.34 0.00 0.00 72.50 70.89 1ttv s THR 45 CO 0.05 -0.44 1.68 -0.03 -0.54 0.00 0.00 174.62 175.33 1ttv h MET 46 N 1.29 0.00 0.01 3.99 4.05 -1.91 0.33 114.93 122.69 1ttv h MET 46 Ca -0.48 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 58.94 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 -0.00 0.87 0.23 0.00 0.00 176.91 178.61 1ttv h LYS 47 N 0.00 -0.01 -0.17 0.39 1.79 -1.98 -2.16 116.57 114.42 1ttv h LYS 47 Ca 0.74 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 59.20 1ttv h LYS 47 Cb 3.03 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 33.67 1ttv h LYS 47 CO -0.01 0.63 0.04 0.93 -1.08 0.00 0.00 179.45 179.95 1ttv h GLU 48 N -0.67 0.28 0.27 3.15 4.39 -0.86 -0.89 114.58 120.25 1ttv h GLU 48 Ca -0.00 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1ttv h GLU 48 Cb 0.65 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1ttv h GLU 48 CO 0.00 0.43 -0.35 0.28 -1.16 0.00 0.00 179.01 178.21 1ttv h VAL 49 N 0.08 0.00 -0.25 3.13 2.07 -0.80 0.11 116.25 120.60 1ttv h VAL 49 Ca 0.05 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.65 1ttv h VAL 49 Cb 0.28 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1ttv h VAL 49 CO 0.00 0.00 0.28 0.25 0.02 0.00 0.00 177.57 178.12 1ttv h LEU 50 N -0.64 0.00 0.25 2.57 6.46 -1.43 -2.17 115.31 120.35 1ttv h LEU 50 Ca -0.03 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1ttv h LEU 50 Cb 0.57 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1ttv h LEU 50 CO -0.09 0.00 -0.12 0.22 -0.62 0.00 0.00 178.44 177.83 1ttv h TYR 51 N 0.00 -0.31 -0.70 1.25 5.03 0.15 -3.16 116.97 119.24 1ttv h TYR 51 Ca 0.12 -0.01 0.10 0.00 2.58 0.00 0.00 58.73 61.52 1ttv h TYR 51 Cb 0.68 0.10 -0.07 0.00 1.55 0.00 0.00 36.73 38.99 1ttv h TYR 51 CO 0.00 0.02 0.33 0.45 -1.32 0.00 0.00 178.16 177.64 1ttv h HIS 52 N -0.97 0.59 -0.69 -3.82 -0.00 -0.35 -1.55 115.15 108.36 1ttv h HIS 52 Ca -0.03 0.03 0.15 0.00 -0.00 0.00 0.00 60.37 60.51 1ttv h HIS 52 Cb 0.47 -0.16 -0.13 0.00 -0.00 0.00 0.00 27.41 27.59 1ttv h HIS 52 CO 0.05 0.19 -0.11 1.25 -0.00 0.00 0.00 177.93 179.32 1ttv h LEU 53 N 0.56 -0.52 -1.29 2.43 5.85 -1.49 1.28 115.31 122.14 1ttv h LEU 53 Ca 0.35 0.20 0.13 0.00 0.84 0.00 0.00 57.88 59.39 1ttv h LEU 53 Cb 0.40 0.38 -0.07 0.00 0.37 0.00 0.00 40.66 41.75 1ttv h LEU 53 CO -0.29 -0.20 0.56 1.23 -0.34 0.00 0.00 178.44 179.40 1ttv h GLY 54 N 0.04 1.18 1.89 3.75 0.00 -1.24 0.20 103.07 108.89 1ttv h GLY 54 Ca 0.35 -0.31 -0.15 0.00 0.00 0.00 0.00 47.33 47.22 1ttv h GLY 54 CO -0.67 0.13 -0.78 1.46 0.00 0.00 0.00 176.54 176.68 1ttv h GLN 55 N 0.73 0.00 -0.07 4.80 4.20 0.28 -3.09 115.11 121.96 1ttv h GLN 55 Ca 0.42 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.11 1ttv h GLN 55 Cb 0.61 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 1ttv h GLN 55 CO -0.19 0.65 -0.04 -0.92 -0.67 0.00 0.00 178.83 177.66 1ttv h TYR 56 N 0.00 0.18 0.64 2.96 3.20 0.40 -1.16 116.97 123.19 1ttv h TYR 56 Ca -0.03 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 1ttv h TYR 56 Cb 1.55 -0.04 0.01 0.00 1.54 0.00 0.00 36.73 39.79 1ttv h TYR 56 CO 0.00 0.54 -0.31 0.82 -1.64 0.00 0.00 178.16 177.58 1ttv h ILE 57 N -0.24 0.35 -0.25 1.81 2.04 -0.84 0.37 117.51 120.75 1ttv h ILE 57 Ca 0.01 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.87 1ttv h ILE 57 Cb 0.50 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1ttv h ILE 57 CO 0.01 0.01 0.18 0.00 0.00 0.00 0.00 178.15 178.35 1ttv h MET 58 N -0.92 0.00 0.22 2.37 -0.00 -1.62 0.83 114.93 115.81 1ttv h MET 58 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.60 1ttv h MET 58 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.28 1ttv h MET 58 CO 0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 176.91 176.95 1ttv h ALA 59 N 1.87 -0.29 0.00 -3.00 0.00 -0.78 -3.28 119.26 113.78 1ttv h ALA 59 Ca 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1ttv h ALA 59 Cb 0.48 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ttv h ALA 59 CO -0.00 -0.29 -0.09 0.87 0.00 0.00 0.00 179.25 179.74 1ttv h LYS 60 N -1.04 0.00 -4.18 0.00 6.56 0.02 -3.47 116.57 114.45 1ttv h LYS 60 Ca -0.03 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.50 1ttv h LYS 60 Cb 0.33 0.00 0.04 0.00 -0.57 0.00 0.00 32.23 32.04 1ttv h LYS 60 CO 0.05 0.09 -0.19 0.94 -2.06 0.00 0.00 179.45 178.28 1ttv n GLN 61 N -3.64 -0.86 0.00 3.15 -0.06 0.29 -4.98 117.38 111.28 1ttv n GLN 61 Ca -0.02 0.74 0.08 0.00 -2.00 0.00 0.00 57.00 55.79 1ttv n GLN 61 Cb 0.20 -3.62 0.05 0.00 -4.06 0.00 0.00 30.24 22.81 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 -1.82 2.08 -4.84 1.69 4.77 -1.12 -5.00 117.00 112.76 1ttv n LEU 62 Ca -0.02 -0.93 -0.32 0.00 -0.03 0.00 0.00 56.01 54.71 1ttv n LEU 62 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 1ttv n LEU 62 CO 0.27 0.38 0.69 -0.72 -1.33 0.00 0.00 177.39 176.68 1ttv s TYR 63 N -1.45 3.46 0.28 -1.77 -0.85 -1.26 -2.96 117.35 112.81 1ttv s TYR 63 Ca 0.17 1.45 -0.23 0.00 -0.52 0.00 0.00 57.07 57.94 1ttv s TYR 63 Cb 0.13 -2.79 -0.09 0.00 0.38 0.00 0.00 41.96 39.59 1ttv s TYR 63 CO 0.25 -0.43 0.84 0.34 -1.52 0.00 0.00 175.55 175.02 1ttv s ASP 64 N -3.20 7.17 0.03 -0.18 2.15 0.03 -4.89 116.67 117.77 1ttv s ASP 64 Ca 0.59 1.62 -0.23 0.00 0.43 0.00 0.00 52.55 54.95 1ttv s ASP 64 Cb -0.10 -2.50 -0.16 0.00 -0.30 0.00 0.00 42.92 39.86 1ttv s ASP 64 CO 0.34 -0.04 1.42 -0.33 -0.17 0.00 0.00 175.17 176.38 1ttv h GLU 65 N 3.18 0.12 0.13 4.34 5.08 -1.96 -3.25 114.58 122.21 1ttv h GLU 65 Ca -0.47 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 57.86 1ttv h GLU 65 Cb 1.19 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1ttv h GLU 65 CO 0.65 0.44 -0.21 0.87 -1.00 0.00 0.00 179.01 179.76 1ttv h LYS 66 N -0.22 -0.39 -4.91 2.33 1.79 -1.98 -3.40 116.57 109.79 1ttv h LYS 66 Ca 0.02 0.03 -0.63 0.00 -2.18 0.00 0.00 60.65 57.88 1ttv h LYS 66 Cb 0.39 0.09 -0.35 0.00 -1.58 0.00 0.00 32.23 30.78 1ttv h LYS 66 CO 0.01 -0.26 -0.85 1.14 -1.08 0.00 0.00 179.45 178.41 1ttv s GLN 67 N -6.10 2.58 0.33 3.15 0.00 -1.23 -5.00 119.66 113.41 1ttv s GLN 67 Ca -0.15 -0.69 0.26 0.00 -0.00 0.00 0.00 55.36 54.78 1ttv s GLN 67 Cb 0.07 -2.20 0.76 0.00 0.00 0.00 0.00 33.01 31.64 1ttv s GLN 67 CO 0.65 -0.11 1.74 1.96 0.00 0.00 0.00 175.29 179.53 1ttv h GLN 68 N 7.61 0.00 -0.23 9.60 7.50 -1.79 -3.04 115.11 134.77 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 0.54 0.00 0.00 -2.39 -1.50 0.00 0.00 178.83 175.48 1ttv n HIS 69 N -2.63 0.30 -5.14 2.96 1.44 -1.26 -4.74 115.22 106.15 1ttv n HIS 69 Ca 0.04 -0.15 -0.30 0.00 -2.01 0.00 0.00 57.72 55.30 1ttv n HIS 69 Cb 0.42 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.36 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 -1.70 1.88 -0.29 0.61 -1.09 -1.15 -1.94 121.20 117.52 1ttv s ILE 70 Ca 0.20 -0.96 0.01 0.00 -2.23 0.00 0.00 60.65 57.67 1ttv s ILE 70 Cb 0.11 -1.59 0.09 0.00 -1.58 0.00 0.00 42.46 39.48 1ttv s ILE 70 CO 0.15 0.52 0.04 -0.69 -1.23 0.00 0.00 174.94 173.73 1ttv s VAL 71 N -0.08 1.44 -0.34 2.92 1.01 -1.12 -0.79 120.40 123.43 1ttv s VAL 71 Ca -0.04 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 60.38 1ttv s VAL 71 Cb -0.13 -1.96 0.10 0.00 0.00 0.00 0.00 36.38 34.40 1ttv s VAL 71 CO 0.04 -0.46 0.10 -1.38 0.00 0.00 0.00 175.10 173.39 1ttv s HIS 72 N 1.37 2.48 -0.28 5.22 -3.43 -1.15 -1.44 115.29 118.05 1ttv s HIS 72 Ca 0.05 -2.28 -0.01 0.00 -0.80 0.00 0.00 55.06 52.02 1ttv s HIS 72 Cb -0.18 -2.18 0.09 0.00 -1.43 0.00 0.00 32.58 28.87 1ttv s HIS 72 CO -0.14 -0.89 0.07 0.00 -2.00 0.00 0.00 174.74 171.78 1ttv h SER 74 N 8.06 0.23 -3.42 0.00 0.02 -1.90 -3.35 113.55 113.19 1ttv h SER 74 Ca -0.14 -0.21 -0.76 0.00 -0.84 0.00 0.00 61.79 59.84 1ttv h SER 74 Cb 1.04 -0.06 -0.24 0.00 0.14 0.00 0.00 62.40 63.28 1ttv h SER 74 CO 0.44 0.38 0.15 0.20 -1.14 0.00 0.00 176.83 176.87 1ttv s ASN 75 N -5.62 6.60 -0.20 3.07 -0.87 -1.26 -4.69 114.94 111.97 1ttv s ASN 75 Ca -0.14 -2.34 -0.27 0.00 -1.57 0.00 0.00 52.86 48.54 1ttv s ASN 75 Cb 0.06 -2.25 0.08 0.00 -0.02 0.00 0.00 41.25 39.13 1ttv s ASN 75 CO 0.70 -0.74 0.78 -1.81 -2.57 0.00 0.00 177.10 173.47 1ttv s ASP 76 N 2.73 -0.65 0.56 -1.22 1.01 -1.26 -5.02 116.67 112.83 1ttv s ASP 76 Ca 0.17 1.07 0.27 0.00 0.71 0.00 0.00 52.55 54.77 1ttv s ASP 76 Cb -0.14 1.02 1.48 0.00 1.01 0.00 0.00 42.92 46.29 1ttv s ASP 76 CO -0.06 -0.34 1.98 -0.65 0.21 0.00 0.00 175.17 176.31 1ttv h PRO 77 N 4.12 0.00 -0.00 8.23 0.11 -1.93 -1.26 132.00 141.27 1ttv h PRO 77 Ca -0.27 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 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 0.17 0.00 -0.01 1.25 -0.21 0.00 0.00 178.00 179.21 1ttv h LEU 78 N 0.00 0.01 -1.42 2.35 5.85 -1.95 -2.51 115.31 117.64 1ttv h LEU 78 Ca 0.22 -0.75 0.06 0.00 0.84 0.00 0.00 57.88 58.25 1ttv h LEU 78 Cb 1.00 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1ttv h LEU 78 CO -0.00 0.75 0.45 1.23 -0.34 0.00 0.00 178.44 180.53 1ttv h GLY 79 N -0.74 0.89 2.00 3.75 0.00 -1.48 0.23 103.07 107.72 1ttv h GLY 79 Ca -0.00 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 1ttv h GLY 79 CO 0.00 0.22 -0.40 1.05 0.00 0.00 0.00 176.54 177.41 1ttv h GLU 80 N 0.71 0.00 0.00 4.80 -0.00 -1.35 -1.14 114.58 117.61 1ttv h GLU 80 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.65 1ttv h GLU 80 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.99 1ttv h GLU 80 CO -0.09 0.40 -0.06 1.25 -0.00 0.00 0.00 179.01 180.50 1ttv h LEU 81 N 0.00 0.00 -2.16 3.06 5.85 -0.55 -3.35 115.31 118.16 1ttv h LEU 81 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1ttv h LEU 81 Cb 1.04 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 1ttv h LEU 81 CO 0.05 0.46 -0.04 -0.26 -0.34 0.00 0.00 178.44 178.31 1ttv h PHE 82 N -0.86 0.00 -1.14 1.25 0.04 -0.77 -3.46 116.94 112.00 1ttv h PHE 82 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1ttv h PHE 82 Cb 0.06 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.22 1ttv h PHE 82 CO -0.03 0.04 -0.04 0.41 -0.60 0.00 0.00 178.31 178.09 1ttv n GLY 83 N -1.24 0.80 3.16 -1.45 0.00 -0.47 -5.05 105.19 100.94 1ttv n GLY 83 Ca -0.03 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.89 0.07 -0.00 1.61 -7.23 -0.96 -5.05 120.40 105.96 1ttv s VAL 84 Ca 0.03 -0.62 0.11 0.00 -1.81 0.00 0.00 61.98 59.70 1ttv s VAL 84 Cb -0.01 -0.53 -0.20 0.00 0.56 0.00 0.00 36.38 36.20 1ttv s VAL 84 CO 0.04 -0.34 0.94 -0.61 -0.31 0.00 0.00 175.10 174.82 1ttv h GLN 85 N 4.05 0.00 -2.97 4.82 4.15 -1.88 -3.41 115.11 119.87 1ttv h GLN 85 Ca -0.30 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.00 1ttv h GLN 85 Cb 1.19 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 28.68 1ttv h GLN 85 CO 0.41 0.65 -0.25 -1.83 -1.93 0.00 0.00 178.83 175.88 1ttv s GLU 86 N -2.69 0.69 -0.29 1.69 -1.05 -1.26 -1.82 118.70 113.97 1ttv s GLU 86 Ca -0.02 -0.17 -0.14 0.00 -0.15 0.00 0.00 54.97 54.49 1ttv s GLU 86 Cb 0.09 0.31 0.11 0.00 -0.44 0.00 0.00 34.13 34.20 1ttv s GLU 86 CO 0.82 -0.19 0.73 -0.59 0.95 0.00 0.00 175.26 176.97 1ttv s PHE 87 N -1.33 -1.09 0.34 4.83 -0.71 -0.52 -4.98 117.98 114.52 1ttv s PHE 87 Ca -0.13 2.04 -0.26 0.00 -1.04 0.00 0.00 56.93 57.54 1ttv s PHE 87 Cb -0.05 0.66 -0.10 0.00 -1.21 0.00 0.00 43.02 42.32 1ttv s PHE 87 CO 0.05 -0.54 0.99 -1.12 -1.34 0.00 0.00 175.22 173.26 1ttv s SER 88 N 2.13 7.15 -0.02 1.98 0.01 -1.26 -2.80 113.70 120.88 1ttv s SER 88 Ca -0.08 1.95 0.09 0.00 1.31 0.00 0.00 55.95 59.22 1ttv s SER 88 Cb -0.07 -2.59 0.31 0.00 0.21 0.00 0.00 66.02 63.88 1ttv s SER 88 CO -0.19 -0.21 1.21 1.33 0.41 0.00 0.00 173.24 175.79 1ttv n VAL 89 N 0.43 0.63 0.08 3.43 0.24 -0.82 -3.89 118.33 118.44 1ttv n VAL 89 Ca 0.03 -0.49 -0.11 0.00 -2.04 0.00 0.00 64.34 61.72 1ttv n VAL 89 Cb 0.49 0.09 -0.13 0.00 -1.47 0.00 0.00 33.84 32.82 1ttv n VAL 89 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 1ttv h LYS 90 N 1.94 0.12 -4.10 7.34 1.57 -1.93 -3.39 116.57 118.13 1ttv h LYS 90 Ca 0.00 -0.21 -0.77 0.00 -1.87 0.00 0.00 60.65 57.80 1ttv h LYS 90 Cb 0.61 0.08 -0.24 0.00 0.08 0.00 0.00 32.23 32.77 1ttv h LYS 90 CO 0.05 1.08 0.74 -1.21 -0.57 0.00 0.00 179.45 179.55 1ttv s GLU 91 N -2.68 4.05 0.55 3.15 2.02 -1.25 -4.85 118.70 119.69 1ttv s GLU 91 Ca -0.02 -2.81 0.25 0.00 0.02 0.00 0.00 54.97 52.41 1ttv s GLU 91 Cb 0.09 -4.74 1.45 0.00 0.10 0.00 0.00 34.13 31.02 1ttv s GLU 91 CO 0.85 -1.46 2.03 0.45 0.02 0.00 0.00 175.26 177.15 1ttv h HIS 92 N 7.12 0.00 -0.68 1.61 3.86 -1.89 -0.64 115.15 124.53 1ttv h HIS 92 Ca 0.22 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.37 1ttv h HIS 92 Cb 0.90 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.34 1ttv h HIS 92 CO 0.93 0.00 0.22 -0.09 0.86 0.00 0.00 177.93 179.86 1ttv h ARG 93 N 0.00 1.04 -0.14 2.45 2.43 -1.97 0.42 114.38 118.61 1ttv h ARG 93 Ca 0.18 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1ttv h ARG 93 Cb 0.77 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1ttv h ARG 93 CO -0.00 0.88 0.01 -0.09 -1.51 0.00 0.00 179.97 179.26 1ttv h ARG 94 N 1.01 0.24 0.59 0.20 2.43 -1.51 -2.68 114.38 114.65 1ttv h ARG 94 Ca 0.22 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1ttv h ARG 94 Cb 0.27 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1ttv h ARG 94 CO -0.01 0.46 -0.28 0.82 -1.51 0.00 0.00 179.97 179.45 1ttv h ILE 95 N -0.00 0.20 -1.11 1.20 2.04 -1.42 -2.39 117.51 116.03 1ttv h ILE 95 Ca 0.04 -0.39 0.32 0.00 1.00 0.00 0.00 64.86 65.84 1ttv h ILE 95 Cb 0.34 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1ttv h ILE 95 CO 0.01 0.03 0.92 0.22 0.00 0.00 0.00 178.15 179.32 1ttv h TYR 96 N -1.10 0.00 0.15 1.37 3.20 -1.00 0.10 116.97 119.69 1ttv h TYR 96 Ca -0.08 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 1ttv h TYR 96 Cb 0.65 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.92 1ttv h TYR 96 CO 0.01 0.00 -0.07 0.00 -1.64 0.00 0.00 178.16 176.45 1ttv h ALA 97 N 1.21 -0.21 -0.92 1.82 0.00 -1.32 -2.58 119.26 117.26 1ttv h ALA 97 Ca 0.53 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.48 1ttv h ALA 97 Cb 2.36 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 20.16 1ttv h ALA 97 CO -0.01 -0.20 0.60 0.00 0.00 0.00 0.00 179.25 179.64 1ttv h MET 98 N -1.00 0.96 -0.00 0.00 -0.00 -0.75 0.21 114.93 114.36 1ttv h MET 98 Ca -0.02 -0.06 -0.10 0.00 -0.00 0.00 0.00 59.70 59.52 1ttv h MET 98 Cb 0.16 -0.22 -0.01 0.00 -0.00 0.00 0.00 31.60 31.52 1ttv h MET 98 CO 0.03 0.64 -0.47 -0.84 -0.00 0.00 0.00 176.91 176.27 1ttv h ILE 99 N 0.99 1.34 0.01 -0.10 -0.00 -0.98 -2.25 117.51 116.52 1ttv h ILE 99 Ca 0.42 -1.63 -0.14 0.00 -0.00 0.00 0.00 64.86 63.50 1ttv h ILE 99 Cb 0.30 1.88 0.01 0.00 -0.00 0.00 0.00 36.82 39.01 1ttv h ILE 99 CO -0.17 0.47 -0.57 0.28 -0.00 0.00 0.00 178.15 178.16 1ttv h SER 100 N 0.01 0.48 0.49 2.16 0.02 -0.59 -3.16 113.55 112.95 1ttv h SER 100 Ca -0.00 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.16 1ttv h SER 100 Cb 0.84 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.23 1ttv h SER 100 CO 0.06 1.20 0.00 -2.11 -1.14 0.00 0.00 176.83 174.84 1ttv n ARG 101 N -4.25 0.02 -1.20 3.45 1.85 0.56 -2.55 116.66 114.55 1ttv n ARG 101 Ca -0.11 0.29 -0.25 0.00 -1.00 0.00 0.00 57.85 56.79 1ttv n ARG 101 Cb 0.66 -1.55 0.16 0.00 -1.05 0.00 0.00 32.46 30.68 1ttv n ARG 101 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1ttv n ASN 102 N -1.59 4.25 -4.19 2.89 3.02 -0.86 -4.89 115.26 113.89 1ttv n ASN 102 Ca 0.03 -3.57 -0.33 0.00 -0.03 0.00 0.00 54.58 50.68 1ttv n ASN 102 Cb 0.16 -0.85 -0.16 0.00 -0.61 0.00 0.00 39.78 38.33 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 -3.24 2.24 0.00 3.41 1.43 -1.06 -2.85 118.68 118.61 1ttv s LEU 103 Ca 0.56 -0.57 -0.25 0.00 -1.03 0.00 0.00 54.13 52.84 1ttv s LEU 103 Cb 0.47 -1.49 -0.19 0.00 0.03 0.00 0.00 46.19 45.00 1ttv s LEU 103 CO 0.09 0.06 1.36 -0.37 0.23 0.00 0.00 176.35 177.72 1ttv h VAL 104 N 5.80 1.24 -3.59 -1.59 -1.51 -1.48 -3.42 116.25 111.70 1ttv h VAL 104 Ca -0.35 -0.85 -0.67 0.00 -1.23 0.00 0.00 66.70 63.60 1ttv h VAL 104 Cb 1.18 1.81 -0.25 0.00 -2.13 0.00 0.00 31.29 31.90 1ttv h VAL 104 CO 0.58 0.22 -0.63 -0.55 -1.23 0.00 0.00 177.57 175.95 1ttv s SER 105 N -5.53 5.04 -0.29 4.19 0.15 -1.22 -5.02 113.70 111.01 1ttv s SER 105 Ca -0.15 -0.52 -0.03 0.00 0.70 0.00 0.00 55.95 55.94 1ttv s SER 105 Cb 0.03 -1.88 0.04 0.00 -1.71 0.00 0.00 66.02 62.49 1ttv s SER 105 CO 0.66 -0.13 0.01 0.00 1.20 0.00 0.00 173.24 174.98 1ttv s ALA 106 N 1.53 2.86 -0.57 5.45 0.00 -1.26 -1.18 121.76 128.59 1ttv s ALA 106 Ca 0.04 -1.64 -0.20 0.00 0.00 0.00 0.00 51.96 50.16 1ttv s ALA 106 Cb -0.16 -1.96 0.08 0.00 0.00 0.00 0.00 23.12 21.07 1ttv s ALA 106 CO 0.02 -1.12 0.76 -0.80 0.00 0.00 0.00 175.76 174.62 1ttv s ASN 107 N 1.33 6.21 0.32 0.00 0.01 -1.17 -5.04 114.94 116.59 1ttv s ASN 107 Ca -0.02 -1.06 0.01 0.00 -0.71 0.00 0.00 52.86 51.09 1ttv s ASN 107 Cb -0.19 -2.34 -0.03 0.00 0.41 0.00 0.00 41.25 39.11 1ttv s ASN 107 CO -0.01 -1.12 0.50 0.54 -1.51 0.00 0.00 177.10 175.50 1ttv s VAL 108 N 3.09 5.14 -0.10 1.60 0.11 -1.26 -4.21 120.40 124.77 1ttv s VAL 108 Ca 0.17 -0.57 -0.30 0.00 -2.93 0.00 0.00 61.98 58.35 1ttv s VAL 108 Cb -0.20 -3.85 -0.02 0.00 -1.53 0.00 0.00 36.38 30.78 1ttv s VAL 108 CO 0.10 -0.49 1.05 -0.75 -3.33 0.00 0.00 175.10 171.69 1ttv s LYS 109 N -4.19 4.40 -0.47 1.54 2.20 -1.26 -4.89 119.74 117.07 1ttv s LYS 109 Ca 0.39 1.46 0.06 0.00 -0.36 0.00 0.00 55.97 57.52 1ttv s LYS 109 Cb -0.10 -3.55 0.18 0.00 -1.51 0.00 0.00 37.83 32.86 1ttv s LYS 109 CO 0.34 -0.36 0.62 -1.83 -0.36 0.00 0.00 175.35 173.76 1ttv s GLU 110 N 2.10 0.96 0.32 4.03 -1.05 -1.26 -5.14 118.70 118.65 1ttv s GLU 110 Ca 0.50 -1.05 -0.27 0.00 -0.15 0.00 0.00 54.97 54.01 1ttv s GLU 110 Cb -0.20 -0.29 -0.10 0.00 -0.44 0.00 0.00 34.13 33.11 1ttv s GLU 110 CO 0.19 -1.30 0.96 0.45 0.95 0.00 0.00 175.26 176.50 1ttv s SER 111 N 0.99 7.34 -0.44 0.83 0.15 -1.26 -5.02 113.70 116.29 1ttv s SER 111 Ca 0.26 1.88 -0.21 0.00 0.70 0.00 0.00 55.95 58.59 1ttv s SER 111 Cb -0.02 -2.59 0.03 0.00 -1.71 0.00 0.00 66.02 61.73 1ttv s SER 111 CO -0.07 -0.07 0.64 -0.44 1.20 0.00 0.00 173.24 174.50 1ttv s SER 112 N -1.52 6.32 0.17 5.45 0.01 -1.26 -5.03 113.70 117.83 1ttv s SER 112 Ca 0.49 -0.37 -0.31 0.00 1.31 0.00 0.00 55.95 57.07 1ttv s SER 112 Cb -0.20 -2.32 -0.09 0.00 0.21 0.00 0.00 66.02 63.62 1ttv s SER 112 CO 0.26 -0.78 1.49 -1.61 0.41 0.00 0.00 173.24 173.00 1ttv s GLU 113 N 2.80 4.26 -0.05 12.44 2.02 -1.26 -4.99 118.70 133.92 1ttv s GLU 113 Ca 0.22 2.26 -0.20 0.00 0.02 0.00 0.00 54.97 57.27 1ttv s GLU 113 Cb -0.14 -3.17 -0.05 0.00 0.10 0.00 0.00 34.13 30.87 1ttv s GLU 113 CO 0.19 -0.52 0.58 0.16 0.02 0.00 0.00 175.26 175.69 1ttv s ASP 114 N 0.97 6.89 -0.41 -0.19 -4.77 -1.26 -5.04 116.67 112.86 1ttv s ASP 114 Ca 0.66 1.06 -0.05 0.00 -3.30 0.00 0.00 52.55 50.92 1ttv s ASP 114 Cb -0.41 -2.35 0.10 0.00 -1.09 0.00 0.00 42.92 39.17 1ttv s ASP 114 CO 0.33 0.03 0.22 -0.63 0.70 0.00 0.00 175.17 175.82 1ttv s ILE 115 N 0.23 3.61 -0.10 2.11 -1.09 -1.26 -4.87 121.20 119.84 1ttv s ILE 115 Ca 0.31 -1.79 0.10 0.00 -2.23 0.00 0.00 60.65 57.04 1ttv s ILE 115 Cb -0.17 -3.35 -0.14 0.00 -1.58 0.00 0.00 42.46 37.22 1ttv s ILE 115 CO 0.15 -0.60 0.06 0.49 -1.23 0.00 0.00 174.94 173.81 1ttv n PHE 116 N 4.72 0.00 0.00 3.97 3.72 -1.26 -5.03 117.46 123.58 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 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 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 2.29 1.47 2.95 1.37 0.00 -1.26 -5.12 105.19 106.88 1ttv n GLY 117 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.00 3.79 0.00 1.61 2.47 -1.26 -5.34 114.94 114.21 1ttv s ASN 118 Ca 0.00 -1.14 0.30 0.00 0.42 0.00 0.00 52.86 52.44 1ttv s ASN 118 Cb 0.00 -1.19 1.46 0.00 -1.45 0.00 0.00 41.25 40.08 1ttv s ASN 118 CO 0.00 -0.22 1.98 1.33 -3.72 0.00 0.00 177.10 176.47