#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vgt n ASP 7 N 0.00 3.49 -4.26 -1.43 8.00 -1.26 -4.89 116.55 116.19 1vgt n ASP 7 Ca 0.00 1.21 -0.27 0.00 0.71 0.00 0.00 54.79 56.43 1vgt n ASP 7 Cb 0.00 -1.57 -0.15 0.00 -0.02 0.00 0.00 41.12 39.38 1vgt n ASP 7 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1vgt s VAL 8 N -0.90 1.77 -0.14 2.53 1.01 -0.32 -4.08 120.40 120.26 1vgt s VAL 8 Ca 0.56 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1vgt s VAL 8 Cb -0.51 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.36 1vgt s VAL 8 CO 0.61 0.35 -0.16 0.00 0.00 0.00 0.00 175.10 175.90 1vgt s ALA 10 N 0.66 3.60 -0.06 0.00 0.00 -0.25 -1.73 121.76 123.99 1vgt s ALA 10 Ca -0.08 -0.58 0.01 0.00 0.00 0.00 0.00 51.96 51.31 1vgt s ALA 10 Cb -0.16 -2.31 0.02 0.00 0.00 0.00 0.00 23.12 20.67 1vgt s ALA 10 CO 0.02 0.17 -0.08 0.08 0.00 0.00 0.00 175.76 175.94 1vgt s VAL 11 N -2.16 0.87 -0.29 0.00 1.01 0.69 -0.68 120.40 119.84 1vgt s VAL 11 Ca 0.44 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1vgt s VAL 11 Cb -0.11 -0.84 0.07 0.00 0.00 0.00 0.00 36.38 35.51 1vgt s VAL 11 CO 0.32 0.30 -0.04 -0.69 0.00 0.00 0.00 175.10 174.99 1vgt s VAL 12 N 0.92 2.32 -0.24 2.92 1.01 0.50 -1.44 120.40 126.40 1vgt s VAL 12 Ca -0.10 -1.85 -0.29 0.00 0.00 0.00 0.00 61.98 59.73 1vgt s VAL 12 Cb -0.15 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1vgt s VAL 12 CO 0.01 -0.24 1.43 -2.16 0.00 0.00 0.00 175.10 174.14 1vgt s PRO 13 N 1.05 3.93 -0.09 2.72 0.04 -1.26 -1.08 135.00 140.31 1vgt s PRO 13 Ca -0.02 1.51 0.21 0.00 0.04 0.00 0.00 61.00 62.75 1vgt s PRO 13 Cb -0.20 -3.93 0.44 0.00 0.04 0.00 0.00 34.50 30.86 1vgt s PRO 13 CO -0.06 -1.11 1.18 0.00 0.04 0.00 0.00 177.00 177.05 1vgt n ALA 14 N 7.74 2.83 -3.29 8.56 0.00 0.34 -4.37 120.51 132.32 1vgt n ALA 14 Ca 0.16 -2.70 -0.41 0.00 0.00 0.00 0.00 53.44 50.50 1vgt n ALA 14 Cb 0.46 -0.64 -0.02 0.00 0.00 0.00 0.00 19.45 19.25 1vgt n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vgt n ALA 15 N -0.08 4.47 0.61 0.00 0.00 -1.04 -4.44 120.51 120.03 1vgt n ALA 15 Ca 0.11 -4.71 0.11 0.00 0.00 0.00 0.00 53.44 48.95 1vgt n ALA 15 Cb 0.99 -2.11 0.08 0.00 0.00 0.00 0.00 19.45 18.41 1vgt n ALA 15 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1vgt n PRO 26 N 1.94 0.26 -0.25 0.00 -0.02 -1.26 -4.92 135.00 130.75 1vgt n PRO 26 Ca 0.25 0.02 0.05 0.00 -2.02 0.00 0.00 63.50 61.80 1vgt n PRO 26 Cb 0.37 -1.61 0.16 0.00 -0.02 0.00 0.00 33.50 32.39 1vgt n PRO 26 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1vgt h LYS 27 N 0.00 0.14 0.00 -0.52 1.79 -1.98 0.91 116.57 116.91 1vgt h LYS 27 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1vgt h LYS 27 Cb 0.71 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1vgt h LYS 27 CO 0.00 0.09 0.00 0.00 -1.08 0.00 0.00 179.45 178.46 1vgt n GLN 28 N -5.29 0.06 -0.24 3.15 0.00 -1.26 -1.83 117.38 111.98 1vgt n GLN 28 Ca 0.13 0.18 0.12 0.00 0.00 0.00 0.00 57.00 57.43 1vgt n GLN 28 Cb 0.46 -1.50 0.24 0.00 0.00 0.00 0.00 30.24 29.44 1vgt n GLN 28 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 1vgt n TYR 29 N -1.45 0.63 -1.67 2.61 0.53 0.31 -1.20 117.16 116.92 1vgt n TYR 29 Ca 0.05 -0.32 -0.31 0.00 -1.02 0.00 0.00 57.90 56.30 1vgt n TYR 29 Cb 0.19 -0.00 0.04 0.00 -1.03 0.00 0.00 39.34 38.54 1vgt n TYR 29 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1vgt s LEU 30 N -1.33 3.16 0.10 7.72 1.43 -0.76 -4.78 118.68 124.22 1vgt s LEU 30 Ca 0.41 1.55 0.09 0.00 -1.03 0.00 0.00 54.13 55.15 1vgt s LEU 30 Cb 0.23 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 1vgt s LEU 30 CO 0.32 -1.26 -0.23 -0.44 0.23 0.00 0.00 176.35 174.96 1vgt s SER 31 N -3.92 2.84 -0.22 2.29 0.01 -1.26 -0.62 113.70 112.83 1vgt s SER 31 Ca 0.57 -0.69 -0.03 0.00 1.31 0.00 0.00 55.95 57.11 1vgt s SER 31 Cb -0.13 -0.18 0.07 0.00 0.21 0.00 0.00 66.02 65.99 1vgt s SER 31 CO 0.55 0.12 0.06 -0.63 0.41 0.00 0.00 173.24 173.75 1vgt s ILE 32 N -1.07 0.40 0.00 1.44 1.01 -0.27 -4.96 121.20 117.74 1vgt s ILE 32 Ca 0.09 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.13 1vgt s ILE 32 Cb -0.10 -1.03 0.00 0.00 0.01 0.00 0.00 42.46 41.34 1vgt s ILE 32 CO 0.05 -0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.26 1vgt n GLY 33 N 5.09 0.94 0.04 6.18 0.00 -1.26 -2.95 105.19 113.22 1vgt n GLY 33 Ca -0.07 -0.77 0.14 0.00 0.00 0.00 0.00 46.02 45.32 1vgt n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1vgt n ASN 34 N 3.97 0.12 -4.05 1.61 0.23 -1.26 -4.90 115.26 110.98 1vgt n ASN 34 Ca 0.00 -1.18 -0.09 0.00 -0.53 0.00 0.00 54.58 52.78 1vgt n ASN 34 Cb 0.00 -0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.59 1vgt n ASN 34 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1vgt s GLN 35 N -1.99 0.51 0.74 -3.83 -0.21 -1.15 -5.15 119.66 108.57 1vgt s GLN 35 Ca 0.40 -0.95 -0.11 0.00 0.02 0.00 0.00 55.36 54.72 1vgt s GLN 35 Cb 0.19 0.08 0.03 0.00 1.00 0.00 0.00 33.01 34.31 1vgt s GLN 35 CO 0.31 -0.06 1.07 0.95 -2.12 0.00 0.00 175.29 175.45 1vgt s THR 36 N -2.69 3.65 0.15 -0.19 -4.23 -1.26 -1.11 115.64 109.96 1vgt s THR 36 Ca -0.03 0.54 -0.17 0.00 -1.18 0.00 0.00 61.69 60.85 1vgt s THR 36 Cb -0.01 -3.25 -0.00 0.00 1.34 0.00 0.00 72.50 70.58 1vgt s THR 36 CO -0.05 -0.70 1.79 0.40 -0.54 0.00 0.00 174.62 175.52 1vgt h ILE 37 N -0.89 1.11 -0.71 2.99 1.08 -0.56 -2.06 117.51 118.47 1vgt h ILE 37 Ca -0.45 -0.22 0.15 0.00 -0.39 0.00 0.00 64.86 63.95 1vgt h ILE 37 Cb 1.23 0.59 -0.11 0.00 -3.07 0.00 0.00 36.82 35.47 1vgt h ILE 37 CO 0.57 0.11 0.14 0.25 -0.69 0.00 0.00 178.15 178.53 1vgt h LEU 38 N 0.49 -0.04 -0.78 1.44 5.85 -1.17 0.25 115.31 121.37 1vgt h LEU 38 Ca 0.13 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 1vgt h LEU 38 Cb -0.03 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1vgt h LEU 38 CO -0.03 -0.05 0.27 -0.33 -0.34 0.00 0.00 178.44 177.96 1vgt h GLU 39 N 0.24 1.18 -0.40 1.25 5.08 -1.66 0.14 114.58 120.42 1vgt h GLU 39 Ca 0.39 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1vgt h GLU 39 Cb 0.66 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1vgt h GLU 39 CO -0.51 0.99 0.24 0.45 -1.00 0.00 0.00 179.01 179.18 1vgt h HIS 40 N 1.14 0.53 -0.31 4.33 3.86 -0.63 -0.56 115.15 123.51 1vgt h HIS 40 Ca 0.25 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.44 1vgt h HIS 40 Cb 0.27 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1vgt h HIS 40 CO 0.02 0.38 0.10 1.03 0.86 0.00 0.00 177.93 180.32 1vgt h SER 41 N 0.53 0.46 -0.27 2.45 0.87 -0.70 -2.20 113.55 114.68 1vgt h SER 41 Ca 0.14 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1vgt h SER 41 Cb 0.00 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1vgt h SER 41 CO -0.03 0.54 0.08 0.58 -0.53 0.00 0.00 176.83 177.47 1vgt h VAL 42 N 0.35 1.20 0.00 2.23 2.07 -0.62 -2.47 116.25 119.01 1vgt h VAL 42 Ca 0.10 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1vgt h VAL 42 Cb 0.25 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1vgt h VAL 42 CO -0.00 0.21 -0.03 0.45 0.02 0.00 0.00 177.57 178.22 1vgt h HIS 43 N 0.27 0.00 -0.23 1.57 3.86 -1.06 -0.65 115.15 118.91 1vgt h HIS 43 Ca 0.09 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.18 1vgt h HIS 43 Cb 0.25 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1vgt h HIS 43 CO 0.01 0.03 -0.37 0.00 0.86 0.00 0.00 177.93 178.46 1vgt h ALA 44 N 1.97 0.93 -0.22 2.45 0.00 -0.94 -1.65 119.26 121.80 1vgt h ALA 44 Ca -0.00 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1vgt h ALA 44 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1vgt h ALA 44 CO 0.00 0.62 -0.42 -0.07 0.00 0.00 0.00 179.25 179.39 1vgt h LEU 45 N 0.43 0.75 -0.94 0.00 3.38 -1.05 -3.18 115.31 114.70 1vgt h LEU 45 Ca 0.04 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1vgt h LEU 45 Cb 0.84 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1vgt h LEU 45 CO 0.07 1.15 0.00 -0.07 0.09 0.00 0.00 178.44 179.68 1vgt h LEU 46 N 0.38 0.00 -1.77 1.67 3.38 -0.97 -2.91 115.31 115.09 1vgt h LEU 46 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1vgt h LEU 46 Cb 1.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.76 1vgt h LEU 46 CO 0.09 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.47 1vgt h ALA 47 N 2.19 1.33 -2.77 1.53 0.00 -1.28 -3.42 119.26 116.85 1vgt h ALA 47 Ca 0.00 -0.14 -0.57 0.00 0.00 0.00 0.00 54.91 54.19 1vgt h ALA 47 Cb 0.38 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1vgt h ALA 47 CO 0.00 0.20 -0.05 -1.58 0.00 0.00 0.00 179.25 177.82 1vgt s HIS 48 N -4.22 3.66 0.48 0.00 5.65 -1.10 -4.96 115.29 114.80 1vgt s HIS 48 Ca -0.03 1.13 0.28 0.00 0.25 0.00 0.00 55.06 56.69 1vgt s HIS 48 Cb 0.13 -2.57 1.58 0.00 -1.18 0.00 0.00 32.58 30.55 1vgt s HIS 48 CO 0.62 0.35 2.14 -1.00 -0.65 0.00 0.00 174.74 176.20 1vgt h PRO 49 N 5.72 0.00 0.00 2.88 0.13 -1.89 -1.26 132.00 137.58 1vgt h PRO 49 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1vgt h PRO 49 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1vgt h PRO 49 CO 0.70 0.08 0.00 0.00 -0.23 0.00 0.00 178.00 178.54 1vgt h ARG 50 N 0.00 0.00 -5.05 0.86 3.08 -1.93 -3.39 114.38 107.95 1vgt h ARG 50 Ca -0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.37 1vgt h ARG 50 Cb 0.21 0.00 -0.17 0.00 0.08 0.00 0.00 29.97 30.08 1vgt h ARG 50 CO 0.01 0.00 0.71 0.14 -1.07 0.00 0.00 179.97 179.76 1vgt s VAL 51 N -3.35 4.68 0.18 2.04 -7.23 -0.48 -1.17 120.40 115.08 1vgt s VAL 51 Ca 0.05 -1.33 0.06 0.00 -1.81 0.00 0.00 61.98 58.96 1vgt s VAL 51 Cb 0.07 -4.73 -0.13 0.00 0.56 0.00 0.00 36.38 32.15 1vgt s VAL 51 CO 0.61 -1.46 1.42 0.11 -0.31 0.00 0.00 175.10 175.47 1vgt h LYS 52 N 8.97 0.07 -3.98 4.82 1.79 -1.67 -3.44 116.57 123.13 1vgt h LYS 52 Ca 0.04 -0.08 -0.15 0.00 -2.18 0.00 0.00 60.65 58.28 1vgt h LYS 52 Cb 1.04 0.02 -0.19 0.00 -1.58 0.00 0.00 32.23 31.52 1vgt h LYS 52 CO 1.11 0.86 -0.65 1.03 -1.08 0.00 0.00 179.45 180.72 1vgt s ARG 53 N -3.17 0.44 -0.13 3.15 0.52 -1.25 -4.79 118.95 113.72 1vgt s ARG 53 Ca -0.01 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 1vgt s ARG 53 Cb 0.11 0.16 0.02 0.00 0.52 0.00 0.00 34.95 35.76 1vgt s ARG 53 CO 0.81 -0.08 -0.12 0.08 0.02 0.00 0.00 175.30 176.00 1vgt s VAL 54 N -2.22 1.34 -0.24 3.52 1.01 -0.32 -1.09 120.40 122.41 1vgt s VAL 54 Ca -0.09 -0.50 -0.14 0.00 0.00 0.00 0.00 61.98 61.25 1vgt s VAL 54 Cb -0.04 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1vgt s VAL 54 CO -0.04 0.42 0.34 -0.69 0.00 0.00 0.00 175.10 175.13 1vgt s VAL 55 N 1.48 5.22 -0.20 2.92 1.01 0.14 -1.21 120.40 129.75 1vgt s VAL 55 Ca 0.03 0.54 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 1vgt s VAL 55 Cb -0.13 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1vgt s VAL 55 CO -0.08 0.22 -0.01 -0.63 0.00 0.00 0.00 175.10 174.60 1vgt s ILE 56 N 1.65 3.79 -0.18 2.22 1.01 0.84 -0.37 121.20 130.16 1vgt s ILE 56 Ca 0.15 -0.36 -0.23 0.00 0.00 0.00 0.00 60.65 60.21 1vgt s ILE 56 Cb -0.15 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 1vgt s ILE 56 CO 0.08 0.43 0.71 0.00 0.00 0.00 0.00 174.94 176.16 1vgt s ALA 57 N 1.11 3.52 0.05 9.38 0.00 -0.25 -1.91 121.76 133.67 1vgt s ALA 57 Ca 0.02 -0.14 0.07 0.00 0.00 0.00 0.00 51.96 51.91 1vgt s ALA 57 Cb -0.14 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1vgt s ALA 57 CO 0.01 -0.57 -0.20 0.42 0.00 0.00 0.00 175.76 175.42 1vgt s ILE 58 N 1.94 1.60 -0.15 0.00 -1.09 -0.51 -0.50 121.20 122.49 1vgt s ILE 58 Ca 0.33 -1.21 -0.17 0.00 -2.23 0.00 0.00 60.65 57.36 1vgt s ILE 58 Cb -0.16 -1.40 -0.14 0.00 -1.58 0.00 0.00 42.46 39.17 1vgt s ILE 58 CO 0.11 0.15 0.27 0.77 -1.23 0.00 0.00 174.94 175.02 1vgt h SER 59 N 4.78 0.00 -3.86 3.58 4.64 -1.87 0.16 113.55 120.98 1vgt h SER 59 Ca -0.42 -0.47 0.00 0.00 -0.47 0.00 0.00 61.79 60.43 1vgt h SER 59 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1vgt h SER 59 CO 0.43 1.00 0.00 -0.24 -0.87 0.00 0.00 176.83 177.15 1vgt n SER 63 N -4.59 0.00 -0.19 4.97 2.88 -1.26 -4.96 113.62 110.47 1vgt n SER 63 Ca -0.14 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1vgt n SER 63 Cb 0.40 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.96 1vgt n SER 63 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1vgt h ARG 64 N 0.00 0.19 -0.86 -1.46 9.65 -2.05 -2.61 114.38 117.25 1vgt h ARG 64 Ca 0.00 -0.01 0.08 0.00 -1.10 0.00 0.00 59.98 58.94 1vgt h ARG 64 Cb 0.00 -0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.47 1vgt h ARG 64 CO 0.00 0.13 0.52 0.35 2.80 0.00 0.00 179.97 183.77 1vgt h PHE 65 N 0.20 0.96 -0.06 2.20 3.04 -1.97 -2.59 116.94 118.71 1vgt h PHE 65 Ca 0.30 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.29 1vgt h PHE 65 Cb 0.45 -0.31 -0.00 0.00 2.56 0.00 0.00 35.95 38.65 1vgt h PHE 65 CO -0.28 0.45 0.06 0.00 -2.02 0.00 0.00 178.31 176.52 1vgt h ALA 66 N 1.43 1.85 0.00 2.41 0.00 -1.92 -2.50 119.26 120.53 1vgt h ALA 66 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1vgt h ALA 66 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1vgt h ALA 66 CO -0.20 -0.09 0.00 -0.56 0.00 0.00 0.00 179.25 178.40 1vgt h GLN 67 N 0.00 0.00 -7.19 0.00 -0.00 -1.56 -3.46 115.11 102.90 1vgt h GLN 67 Ca 0.03 0.00 -0.49 0.00 -0.00 0.00 0.00 58.65 58.20 1vgt h GLN 67 Cb 0.14 0.00 0.05 0.00 -0.00 0.00 0.00 27.48 27.67 1vgt h GLN 67 CO -0.00 0.00 0.38 -0.51 -0.00 0.00 0.00 178.83 178.70 1vgt s LEU 68 N -5.80 3.55 0.00 0.06 1.02 -0.94 -4.95 118.68 111.62 1vgt s LEU 68 Ca 0.07 1.74 0.22 0.00 0.02 0.00 0.00 54.13 56.18 1vgt s LEU 68 Cb 0.07 -4.53 1.05 0.00 0.02 0.00 0.00 46.19 42.81 1vgt s LEU 68 CO 0.63 -0.97 1.70 -0.81 0.02 0.00 0.00 176.35 176.93 1vgt n PRO 69 N -1.86 0.22 -0.37 1.29 -0.04 -1.26 -3.54 135.00 129.45 1vgt n PRO 69 Ca 0.08 0.09 -0.02 0.00 -0.04 0.00 0.00 63.50 63.61 1vgt n PRO 69 Cb 0.53 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.60 1vgt n PRO 69 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1vgt h LEU 70 N 0.00 1.14 -1.04 1.53 4.07 -1.92 -2.93 115.31 116.17 1vgt h LEU 70 Ca 0.00 -0.04 0.21 0.00 0.08 0.00 0.00 57.88 58.13 1vgt h LEU 70 Cb 0.26 -0.29 -0.11 0.00 1.08 0.00 0.00 40.66 41.60 1vgt h LEU 70 CO 0.00 0.84 0.61 0.00 -1.08 0.00 0.00 178.44 178.81 1vgt h ALA 71 N 1.35 1.75 -0.61 1.53 0.00 -1.81 -1.98 119.26 119.49 1vgt h ALA 71 Ca 0.36 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1vgt h ALA 71 Cb -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1vgt h ALA 71 CO -0.08 -0.16 0.00 -1.71 0.00 0.00 0.00 179.25 177.31 1vgt n ASN 72 N -4.79 4.77 -4.77 0.00 2.85 -1.11 -4.96 115.26 107.25 1vgt n ASN 72 Ca 0.25 -2.52 -0.38 0.00 -0.11 0.00 0.00 54.58 51.81 1vgt n ASN 72 Cb 0.65 -0.58 -0.05 0.00 1.24 0.00 0.00 39.78 41.04 1vgt n ASN 72 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 1vgt s HIS 73 N -1.97 3.57 -0.11 1.20 2.46 -0.75 -4.92 115.29 114.77 1vgt s HIS 73 Ca 0.50 1.74 0.29 0.00 0.47 0.00 0.00 55.06 58.06 1vgt s HIS 73 Cb 0.33 -3.11 1.33 0.00 -0.13 0.00 0.00 32.58 31.00 1vgt s HIS 73 CO 0.23 -0.25 1.87 -1.00 -2.47 0.00 0.00 174.74 173.12 1vgt h PRO 74 N 3.32 0.00 -0.13 2.88 0.13 -1.93 -2.36 132.00 133.91 1vgt h PRO 74 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1vgt h PRO 74 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1vgt h PRO 74 CO 0.65 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.46 1vgt n GLN 75 N -2.59 1.77 -4.10 0.86 6.02 -1.26 -4.94 117.38 113.13 1vgt n GLN 75 Ca 0.00 -1.74 -0.35 0.00 -0.01 0.00 0.00 57.00 54.90 1vgt n GLN 75 Cb 0.19 -1.36 -0.13 0.00 1.02 0.00 0.00 30.24 29.96 1vgt n GLN 75 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1vgt s ILE 76 N -1.40 3.92 -0.02 5.09 1.01 -0.89 -1.17 121.20 127.75 1vgt s ILE 76 Ca 0.24 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.58 1vgt s ILE 76 Cb 0.16 -2.77 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 1vgt s ILE 76 CO 0.23 0.44 -0.02 -0.89 0.00 0.00 0.00 174.94 174.70 1vgt s THR 77 N 0.95 4.01 -0.06 2.92 2.01 -0.35 -4.71 115.64 120.41 1vgt s THR 77 Ca 0.01 -0.59 0.02 0.00 0.31 0.00 0.00 61.69 61.44 1vgt s THR 77 Cb -0.14 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.59 1vgt s THR 77 CO 0.02 0.43 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.57 1vgt s VAL 78 N -1.02 3.31 0.19 3.82 1.01 -1.26 -0.11 120.40 126.34 1vgt s VAL 78 Ca 0.18 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1vgt s VAL 78 Cb -0.11 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 1vgt s VAL 78 CO 0.08 0.59 -0.02 0.68 0.00 0.00 0.00 175.10 176.43 1vgt s VAL 79 N -0.67 0.89 0.25 2.92 -7.23 -0.80 -4.94 120.40 110.82 1vgt s VAL 79 Ca 0.10 -2.01 -0.28 0.00 -1.81 0.00 0.00 61.98 57.98 1vgt s VAL 79 Cb -0.11 -2.17 -0.09 0.00 0.56 0.00 0.00 36.38 34.57 1vgt s VAL 79 CO 0.01 -0.46 0.92 -1.81 -0.31 0.00 0.00 175.10 173.45 1vgt s ASP 80 N -3.22 7.52 0.67 4.85 1.01 -1.26 -1.43 116.67 124.81 1vgt s ASP 80 Ca 0.25 1.87 -0.11 0.00 0.71 0.00 0.00 52.55 55.26 1vgt s ASP 80 Cb 0.05 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 1vgt s ASP 80 CO 0.05 0.10 1.06 -0.83 0.21 0.00 0.00 175.17 175.76 1vgt s GLY 81 N -1.31 1.65 0.00 0.21 0.00 0.57 -4.67 107.32 103.77 1vgt s GLY 81 Ca 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 45.03 1vgt s GLY 81 CO 0.29 0.20 0.00 0.61 0.00 0.00 0.00 173.10 174.19 1vgt n GLY 82 N -2.57 4.43 0.21 0.20 0.00 -1.26 -4.85 105.19 101.35 1vgt n GLY 82 Ca 0.07 -2.18 -0.01 0.00 0.00 0.00 0.00 46.02 43.89 1vgt n GLY 82 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1vgt h ASP 83 N 0.00 -0.23 -3.02 1.61 5.19 -1.98 -3.44 116.42 114.56 1vgt h ASP 83 Ca 0.00 0.13 -0.53 0.00 -0.62 0.00 0.00 57.03 56.02 1vgt h ASP 83 Cb 0.00 0.23 -0.13 0.00 0.18 0.00 0.00 39.33 39.60 1vgt h ASP 83 CO 0.00 -0.08 -0.56 -1.83 -3.12 0.00 0.00 179.24 173.65 1vgt s GLU 84 N -6.16 1.82 0.21 3.56 -1.05 -1.26 -5.01 118.70 110.80 1vgt s GLU 84 Ca -0.13 -2.07 -0.13 0.00 -0.15 0.00 0.00 54.97 52.48 1vgt s GLU 84 Cb 0.17 -0.78 0.25 0.00 -0.44 0.00 0.00 34.13 33.33 1vgt s GLU 84 CO 0.73 -0.34 1.63 -0.09 0.95 0.00 0.00 175.26 178.14 1vgt h ARG 85 N 1.91 0.02 -0.57 -4.83 2.43 -1.95 -1.60 114.38 109.79 1vgt h ARG 85 Ca -0.38 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 58.89 1vgt h ARG 85 Cb 1.26 -0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.73 1vgt h ARG 85 CO 0.64 0.01 0.15 0.00 -1.51 0.00 0.00 179.97 179.25 1vgt h ALA 86 N 1.62 0.69 -0.87 2.80 0.00 -1.93 -0.51 119.26 121.06 1vgt h ALA 86 Ca 0.31 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1vgt h ALA 86 Cb 0.48 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1vgt h ALA 86 CO -0.63 -0.28 0.52 -0.44 0.00 0.00 0.00 179.25 178.42 1vgt h ASP 87 N 0.29 1.04 -0.50 0.00 3.32 -1.67 -1.82 116.42 117.09 1vgt h ASP 87 Ca 0.29 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1vgt h ASP 87 Cb 0.41 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1vgt h ASP 87 CO -0.36 0.80 0.30 0.28 -1.72 0.00 0.00 179.24 178.55 1vgt h SER 88 N 1.20 0.60 -0.54 6.45 0.02 -0.73 -1.80 113.55 118.75 1vgt h SER 88 Ca 0.31 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1vgt h SER 88 Cb -0.05 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1vgt h SER 88 CO -0.06 0.48 0.32 0.58 -1.14 0.00 0.00 176.83 177.01 1vgt h VAL 89 N 0.67 1.17 -0.64 2.27 2.07 -0.68 -1.36 116.25 119.74 1vgt h VAL 89 Ca 0.18 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1vgt h VAL 89 Cb -0.01 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 1vgt h VAL 89 CO -0.03 0.17 0.42 -0.07 0.02 0.00 0.00 177.57 178.08 1vgt h LEU 90 N 0.73 0.75 -0.86 2.57 3.38 -1.08 0.15 115.31 120.95 1vgt h LEU 90 Ca 0.19 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 1vgt h LEU 90 Cb 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1vgt h LEU 90 CO -0.04 0.55 -0.01 0.00 0.09 0.00 0.00 178.44 179.04 1vgt h ALA 91 N 1.58 1.05 -0.58 1.53 0.00 -0.90 -1.77 119.26 120.17 1vgt h ALA 91 Ca 0.23 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1vgt h ALA 91 Cb -0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1vgt h ALA 91 CO -0.05 0.59 0.11 0.78 0.00 0.00 0.00 179.25 180.68 1vgt h GLY 92 N 0.98 1.00 1.80 0.00 0.00 -0.29 -2.17 103.07 104.40 1vgt h GLY 92 Ca 0.15 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 1vgt h GLY 92 CO 0.02 0.58 -0.19 1.41 0.00 0.00 0.00 176.54 178.36 1vgt h LEU 93 N 0.88 0.23 -2.09 3.11 3.38 -0.15 -1.27 115.31 119.40 1vgt h LEU 93 Ca 0.18 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1vgt h LEU 93 Cb 0.37 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1vgt h LEU 93 CO 0.01 0.44 -0.01 0.11 0.09 0.00 0.00 178.44 179.07 1vgt h LYS 94 N 0.22 0.00 -0.37 1.13 1.57 -0.67 -1.47 116.57 116.99 1vgt h LYS 94 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1vgt h LYS 94 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1vgt h LYS 94 CO 0.03 0.01 0.00 0.00 -0.57 0.00 0.00 179.45 178.92 1vgt n ALA 95 N -2.10 2.41 1.74 3.86 0.00 -0.51 -4.59 120.51 121.32 1vgt n ALA 95 Ca -0.01 -0.99 0.13 0.00 0.00 0.00 0.00 53.44 52.57 1vgt n ALA 95 Cb 0.21 -0.81 0.77 0.00 0.00 0.00 0.00 19.45 19.62 1vgt n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1vgt n ALA 96 N 1.40 2.53 -0.78 0.00 0.00 -0.55 -4.99 120.51 118.11 1vgt n ALA 96 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1vgt n ALA 96 Cb 0.58 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1vgt n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vgt n GLY 97 N 0.72 2.51 1.07 0.00 0.00 -1.26 -2.23 105.19 105.99 1vgt n GLY 97 Ca 0.20 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.87 1vgt n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vgt n ASP 98 N 2.27 3.12 -4.63 1.61 9.92 -1.26 -4.95 116.55 122.63 1vgt n ASP 98 Ca 0.00 -1.98 -0.53 0.00 -0.53 0.00 0.00 54.79 51.75 1vgt n ASP 98 Cb 0.00 -0.36 -0.06 0.00 -0.64 0.00 0.00 41.12 40.06 1vgt n ASP 98 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1vgt n ALA 99 N 1.21 -0.55 0.08 2.24 0.00 -0.95 -4.87 120.51 117.68 1vgt n ALA 99 Ca 0.20 0.47 0.03 0.00 0.00 0.00 0.00 53.44 54.14 1vgt n ALA 99 Cb 0.50 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 1vgt n ALA 99 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1vgt h GLN 100 N 5.48 0.00 -5.58 0.00 4.20 -1.92 -3.43 115.11 113.87 1vgt h GLN 100 Ca -0.47 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 57.74 1vgt h GLN 100 Cb 1.32 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 28.84 1vgt h GLN 100 CO 0.84 0.27 -0.81 -1.58 -0.67 0.00 0.00 178.83 176.87 1vgt s TRP 101 N -3.03 1.44 -0.02 2.96 0.52 -1.26 -0.05 118.94 119.50 1vgt s TRP 101 Ca -0.01 -0.34 0.06 0.00 0.02 0.00 0.00 56.10 55.83 1vgt s TRP 101 Cb 0.08 -0.87 -0.01 0.00 -1.15 0.00 0.00 33.47 31.52 1vgt s TRP 101 CO 0.79 0.04 -0.19 0.08 0.02 0.00 0.00 176.95 177.69 1vgt s VAL 102 N -0.72 1.48 -0.28 4.03 1.01 0.00 -3.00 120.40 122.92 1vgt s VAL 102 Ca 0.04 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1vgt s VAL 102 Cb -0.08 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 1vgt s VAL 102 CO 0.01 0.42 0.13 -0.76 0.00 0.00 0.00 175.10 174.90 1vgt s LEU 103 N -0.40 3.82 -0.18 3.92 1.43 -0.70 -1.51 118.68 125.06 1vgt s LEU 103 Ca 0.06 -0.25 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 1vgt s LEU 103 Cb -0.08 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 1vgt s LEU 103 CO -0.00 -0.09 0.00 -0.69 0.23 0.00 0.00 176.35 175.80 1vgt s VAL 104 N 1.66 4.11 0.01 -1.59 1.01 0.65 -0.22 120.40 126.03 1vgt s VAL 104 Ca 0.06 -0.27 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1vgt s VAL 104 Cb -0.16 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 1vgt s VAL 104 CO 0.07 0.45 -0.03 -2.28 0.00 0.00 0.00 175.10 173.31 1vgt s HIS 105 N 0.68 0.24 0.31 5.22 5.04 -0.52 -0.73 115.29 125.54 1vgt s HIS 105 Ca -0.00 -0.23 -0.29 0.00 -1.54 0.00 0.00 55.06 53.00 1vgt s HIS 105 Cb -0.14 -0.16 -0.10 0.00 0.04 0.00 0.00 32.58 32.22 1vgt s HIS 105 CO 0.02 -0.07 1.39 -0.51 -2.34 0.00 0.00 174.74 173.23 1vgt s ASP 106 N -0.64 6.65 0.52 9.88 -0.00 -1.26 -4.12 116.67 127.70 1vgt s ASP 106 Ca -0.06 2.75 0.30 0.00 -0.00 0.00 0.00 52.55 55.55 1vgt s ASP 106 Cb -0.04 -2.64 1.26 0.00 -0.00 0.00 0.00 42.92 41.49 1vgt s ASP 106 CO -0.00 -0.66 1.95 0.00 -0.00 0.00 0.00 175.17 176.46 1vgt h ALA 107 N 3.89 1.03 -0.75 5.23 0.00 -1.93 -2.88 119.26 123.85 1vgt h ALA 107 Ca -0.48 -0.07 -0.33 0.00 0.00 0.00 0.00 54.91 54.02 1vgt h ALA 107 Cb 1.23 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.80 1vgt h ALA 107 CO 0.70 0.10 0.36 0.00 0.00 0.00 0.00 179.25 180.40 1vgt n ALA 108 N -2.15 4.91 -3.91 0.00 0.00 -1.26 -3.39 120.51 114.71 1vgt n ALA 108 Ca 0.00 -2.76 -0.30 0.00 0.00 0.00 0.00 53.44 50.38 1vgt n ALA 108 Cb 0.33 -1.21 -0.14 0.00 0.00 0.00 0.00 19.45 18.44 1vgt n ALA 108 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1vgt s ARG 109 N -3.18 1.87 0.20 0.00 0.52 -1.09 -0.55 118.95 116.72 1vgt s ARG 109 Ca 0.53 -2.52 0.26 0.00 -0.52 0.00 0.00 55.73 53.48 1vgt s ARG 109 Cb 0.45 -3.17 0.80 0.00 0.52 0.00 0.00 34.95 33.55 1vgt s ARG 109 CO 0.09 -1.12 1.76 -0.35 0.02 0.00 0.00 175.30 175.71 1vgt n PRO 110 N 3.19 0.26 -3.60 3.54 -0.04 -1.26 -4.40 135.00 132.69 1vgt n PRO 110 Ca 0.05 0.20 -0.40 0.00 -0.04 0.00 0.00 63.50 63.32 1vgt n PRO 110 Cb 0.32 -1.79 -0.08 0.00 -0.04 0.00 0.00 33.50 31.91 1vgt n PRO 110 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vgt s LEU 112 N 0.94 1.54 0.12 0.00 0.20 -1.26 -4.12 118.68 116.09 1vgt s LEU 112 Ca 0.09 -0.24 -0.09 0.00 0.69 0.00 0.00 54.13 54.58 1vgt s LEU 112 Cb -0.23 -0.70 -0.06 0.00 -0.43 0.00 0.00 46.19 44.77 1vgt s LEU 112 CO -0.03 0.00 0.43 -1.00 -0.29 0.00 0.00 176.35 175.47 1vgt s HIS 113 N 0.76 3.54 0.31 5.38 3.76 -1.26 -4.95 115.29 122.82 1vgt s HIS 113 Ca -0.13 0.78 0.02 0.00 -0.15 0.00 0.00 55.06 55.57 1vgt s HIS 113 Cb -0.15 -2.16 0.50 0.00 1.11 0.00 0.00 32.58 31.88 1vgt s HIS 113 CO 0.02 0.45 1.83 1.96 -0.85 0.00 0.00 174.74 178.16 1vgt h GLN 114 N 3.33 0.62 -0.66 1.40 1.08 -1.99 -0.99 115.11 117.91 1vgt h GLN 114 Ca -0.48 -0.14 -0.06 0.00 -1.45 0.00 0.00 58.65 56.51 1vgt h GLN 114 Cb 1.18 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 28.50 1vgt h GLN 114 CO 0.68 0.64 0.16 0.38 -0.95 0.00 0.00 178.83 179.74 1vgt h ASP 115 N 0.59 0.98 -0.29 1.46 2.03 -1.99 0.25 116.42 119.46 1vgt h ASP 115 Ca 0.12 -0.20 -0.12 0.00 -0.73 0.00 0.00 57.03 56.11 1vgt h ASP 115 Cb 0.37 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 38.61 1vgt h ASP 115 CO 0.01 0.95 -0.27 0.44 -1.03 0.00 0.00 179.24 179.34 1vgt h ASP 116 N 0.99 0.74 -0.62 4.15 3.32 -1.84 -1.59 116.42 121.58 1vgt h ASP 116 Ca 0.21 -0.46 0.02 0.00 0.02 0.00 0.00 57.03 56.81 1vgt h ASP 116 Cb 0.35 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.66 1vgt h ASP 116 CO 0.00 1.05 0.40 0.25 -1.72 0.00 0.00 179.24 179.22 1vgt h LEU 117 N 0.44 0.67 -0.85 1.55 5.85 -0.79 -1.83 115.31 120.35 1vgt h LEU 117 Ca 0.05 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1vgt h LEU 117 Cb 0.84 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 1vgt h LEU 117 CO 0.07 0.47 0.56 0.00 -0.34 0.00 0.00 178.44 179.20 1vgt h ALA 118 N 1.25 1.09 -0.60 1.25 0.00 -0.34 -0.50 119.26 121.40 1vgt h ALA 118 Ca 0.24 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1vgt h ALA 118 Cb -0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 1vgt h ALA 118 CO -0.08 0.46 0.17 0.00 0.00 0.00 0.00 179.25 179.80 1vgt h ARG 119 N 1.13 0.92 -0.26 0.00 3.08 -0.86 -1.66 114.38 116.72 1vgt h ARG 119 Ca 0.32 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 1vgt h ARG 119 Cb -0.10 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1vgt h ARG 119 CO -0.08 0.80 -0.03 1.25 -1.07 0.00 0.00 179.97 180.84 1vgt h LEU 120 N 0.89 0.49 -2.06 3.04 5.85 -0.71 -3.01 115.31 119.79 1vgt h LEU 120 Ca 0.20 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1vgt h LEU 120 Cb 0.28 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1vgt h LEU 120 CO -0.01 0.71 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.67 1vgt h LEU 121 N 0.25 0.00 -2.51 2.25 3.38 -0.82 -1.25 115.31 116.60 1vgt h LEU 121 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1vgt h LEU 121 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1vgt h LEU 121 CO 0.02 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.62 1vgt h ALA 122 N 1.93 1.00 -0.10 1.53 0.00 -1.16 -2.68 119.26 119.78 1vgt h ALA 122 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1vgt h ALA 122 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1vgt h ALA 122 CO 0.01 0.00 0.10 -0.07 0.00 0.00 0.00 179.25 179.29 1vgt h LEU 123 N 0.00 0.00 -2.24 0.00 3.38 -1.35 -1.82 115.31 113.28 1vgt h LEU 123 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1vgt h LEU 123 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1vgt h LEU 123 CO 0.00 0.00 -0.02 0.77 0.09 0.00 0.00 178.44 179.28 1vgt h SER 124 N 0.00 0.00 1.52 -0.43 4.64 -1.71 0.31 113.55 117.88 1vgt h SER 124 Ca 0.05 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.27 1vgt h SER 124 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1vgt h SER 124 CO -0.00 0.02 -0.49 -0.33 -0.87 0.00 0.00 176.83 175.17 1vgt h GLU 125 N 0.00 0.00 0.00 4.77 4.39 -1.57 -3.39 114.58 118.78 1vgt h GLU 125 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1vgt h GLU 125 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1vgt h GLU 125 CO 0.00 0.43 -0.11 0.25 -1.16 0.00 0.00 179.01 178.42 1vgt n THR 126 N -3.19 0.00 -4.26 1.13 -2.24 -0.84 -5.10 114.28 99.79 1vgt n THR 126 Ca 0.02 -0.23 -0.29 0.00 -2.27 0.00 0.00 64.05 61.28 1vgt n THR 126 Cb 0.71 0.86 -0.10 0.00 -2.10 0.00 0.00 70.33 69.70 1vgt n THR 126 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1vgt s SER 127 N -0.67 4.21 0.00 3.42 0.15 0.10 -5.00 113.70 115.91 1vgt s SER 127 Ca 0.00 -0.47 0.18 0.00 0.70 0.00 0.00 55.95 56.36 1vgt s SER 127 Cb 0.00 -0.72 -0.15 0.00 -1.71 0.00 0.00 66.02 63.44 1vgt s SER 127 CO 0.00 0.17 0.82 0.54 1.20 0.00 0.00 173.24 175.97 1vgt n ARG 128 N 0.65 1.12 -0.05 5.44 1.74 -1.26 -4.58 116.66 119.71 1vgt n ARG 128 Ca -0.14 -0.23 -0.05 0.00 -0.77 0.00 0.00 57.85 56.66 1vgt n ARG 128 Cb 0.53 -1.36 -0.08 0.00 -1.02 0.00 0.00 32.46 30.52 1vgt n ARG 128 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1vgt n THR 129 N -1.09 0.73 -0.45 0.55 -1.04 -1.26 -4.82 114.28 106.90 1vgt n THR 129 Ca 0.05 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 1vgt n THR 129 Cb 0.31 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.10 1vgt n THR 129 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1vgt n GLY 130 N 2.36 -1.82 0.00 3.41 0.00 -1.26 -4.43 105.19 103.46 1vgt n GLY 130 Ca -0.17 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.89 1vgt n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vgt n GLY 131 N 0.00 -1.04 3.15 -0.02 0.00 -0.21 -1.08 105.19 105.98 1vgt n GLY 131 Ca 0.00 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 1vgt n GLY 131 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1vgt s ILE 132 N -2.00 0.88 0.34 -0.61 -4.36 -0.11 -0.24 121.20 115.09 1vgt s ILE 132 Ca 0.00 -1.44 -0.27 0.00 -0.26 0.00 0.00 60.65 58.68 1vgt s ILE 132 Cb 0.00 -1.12 -0.09 0.00 1.25 0.00 0.00 42.46 42.49 1vgt s ILE 132 CO 0.00 -0.45 1.14 -0.76 0.24 0.00 0.00 174.94 175.11 1vgt s LEU 133 N -2.10 4.36 0.15 0.37 1.02 -1.03 -0.89 118.68 120.57 1vgt s LEU 133 Ca 0.00 2.32 -0.16 0.00 0.02 0.00 0.00 54.13 56.31 1vgt s LEU 133 Cb -0.06 -3.83 0.03 0.00 0.02 0.00 0.00 46.19 42.35 1vgt s LEU 133 CO 0.00 -0.42 0.43 0.00 0.02 0.00 0.00 176.35 176.39 1vgt s ALA 134 N -1.31 -0.91 -0.04 4.21 0.00 -0.52 -1.19 121.76 122.01 1vgt s ALA 134 Ca 0.51 -0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.38 1vgt s ALA 134 Cb -0.31 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.56 1vgt s ALA 134 CO 0.40 -0.69 -0.10 0.00 0.00 0.00 0.00 175.76 175.37 1vgt s ALA 135 N -3.83 1.01 0.61 0.00 0.00 -0.37 -1.22 121.76 117.96 1vgt s ALA 135 Ca 0.05 -0.37 -0.19 0.00 0.00 0.00 0.00 51.96 51.45 1vgt s ALA 135 Cb 0.01 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 1vgt s ALA 135 CO -0.09 0.14 1.26 -2.14 0.00 0.00 0.00 175.76 174.93 1vgt s PRO 136 N 0.31 2.83 -0.16 0.00 0.02 -1.26 0.35 135.00 137.09 1vgt s PRO 136 Ca -0.06 1.97 -0.22 0.00 0.02 0.00 0.00 61.00 62.71 1vgt s PRO 136 Cb -0.11 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.45 1vgt s PRO 136 CO 0.01 -1.35 0.68 0.08 -0.33 0.00 0.00 177.00 176.09 1vgt s VAL 137 N -1.48 5.00 -0.03 3.83 1.01 -0.38 -4.72 120.40 123.64 1vgt s VAL 137 Ca 0.79 1.33 0.13 0.00 0.00 0.00 0.00 61.98 64.23 1vgt s VAL 137 Cb -0.34 -4.00 -0.20 0.00 0.00 0.00 0.00 36.38 31.83 1vgt s VAL 137 CO 0.37 0.13 0.27 0.54 0.00 0.00 0.00 175.10 176.41 1vgt n ARG 138 N 4.77 0.57 -2.18 2.72 1.74 -1.26 -4.87 116.66 118.15 1vgt n ARG 138 Ca -0.00 -0.11 -0.33 0.00 -0.77 0.00 0.00 57.85 56.64 1vgt n ARG 138 Cb 0.50 -1.32 -0.01 0.00 -1.02 0.00 0.00 32.46 30.62 1vgt n ARG 138 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1vgt s ASP 139 N -3.65 6.08 0.23 0.55 -0.00 -1.26 -5.02 116.67 113.61 1vgt s ASP 139 Ca -0.05 1.74 -0.30 0.00 -0.00 0.00 0.00 52.55 53.94 1vgt s ASP 139 Cb 0.08 -2.53 -0.09 0.00 -0.00 0.00 0.00 42.92 40.39 1vgt s ASP 139 CO 0.55 -0.96 1.16 -0.89 -0.00 0.00 0.00 175.17 175.03 1vgt s THR 140 N -2.50 3.50 0.05 -1.27 2.01 -1.26 -4.79 115.64 111.37 1vgt s THR 140 Ca 0.62 1.37 0.03 0.00 0.31 0.00 0.00 61.69 64.03 1vgt s THR 140 Cb -0.14 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 1vgt s THR 140 CO 0.35 0.27 -0.01 -0.04 -0.69 0.00 0.00 174.62 174.50 1vgt s MET 141 N -0.85 2.62 0.02 4.92 1.00 -1.25 -5.05 119.30 120.71 1vgt s MET 141 Ca 0.49 -0.75 0.06 0.00 0.00 0.00 0.00 55.69 55.49 1vgt s MET 141 Cb -0.33 -2.58 -0.02 0.00 0.00 0.00 0.00 34.83 31.91 1vgt s MET 141 CO 0.39 0.58 -0.17 0.15 0.00 0.00 0.00 175.02 175.97 1vgt s LYS 142 N -1.94 1.21 -0.21 2.03 -0.14 -1.26 -0.58 119.74 118.85 1vgt s LYS 142 Ca 0.22 -0.76 -0.08 0.00 -1.36 0.00 0.00 55.97 53.99 1vgt s LYS 142 Cb -0.12 -1.24 -0.04 0.00 -1.68 0.00 0.00 37.83 34.76 1vgt s LYS 142 CO 0.14 0.32 0.08 0.50 -0.76 0.00 0.00 175.35 175.64 1vgt s ARG 143 N -0.90 3.92 0.62 1.68 6.06 0.03 -4.84 118.95 125.50 1vgt s ARG 143 Ca 0.05 -0.36 -0.12 0.00 -2.50 0.00 0.00 55.73 52.80 1vgt s ARG 143 Cb -0.08 -3.31 -0.04 0.00 0.06 0.00 0.00 34.95 31.59 1vgt s ARG 143 CO 0.01 0.12 1.03 0.00 -2.50 0.00 0.00 175.30 173.96 1vgt s ALA 144 N 0.80 2.97 0.36 6.12 0.00 -1.26 -0.12 121.76 130.62 1vgt s ALA 144 Ca 0.04 0.03 -0.26 0.00 0.00 0.00 0.00 51.96 51.77 1vgt s ALA 144 Cb -0.13 -3.12 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 1vgt s ALA 144 CO 0.02 -0.75 1.12 -1.21 0.00 0.00 0.00 175.76 174.94 1vgt s GLU 145 N -4.88 4.29 -0.08 0.00 2.02 0.61 -4.47 118.70 116.20 1vgt s GLU 145 Ca 0.57 1.75 -0.36 0.00 0.02 0.00 0.00 54.97 56.96 1vgt s GLU 145 Cb -0.12 -2.83 -0.13 0.00 0.10 0.00 0.00 34.13 31.15 1vgt s GLU 145 CO 0.49 -0.09 1.77 -2.30 0.02 0.00 0.00 175.26 175.15 1vgt n PRO 146 N 0.43 1.88 -1.08 0.39 -0.02 -1.26 -1.70 135.00 133.64 1vgt n PRO 146 Ca 0.02 0.69 -0.03 0.00 -2.02 0.00 0.00 63.50 62.16 1vgt n PRO 146 Cb 0.47 -2.47 -0.01 0.00 -0.02 0.00 0.00 33.50 31.46 1vgt n PRO 146 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vgt n GLY 147 N 4.08 0.48 3.27 -1.23 0.00 -1.26 -5.00 105.19 105.53 1vgt n GLY 147 Ca 0.22 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 1vgt n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vgt s LYS 148 N -1.54 1.10 -0.93 1.61 3.01 -0.69 -5.05 119.74 117.27 1vgt s LYS 148 Ca 0.00 -1.39 -0.01 0.00 -1.01 0.00 0.00 55.97 53.57 1vgt s LYS 148 Cb 0.00 -0.86 0.33 0.00 -1.01 0.00 0.00 37.83 36.29 1vgt s LYS 148 CO 0.00 0.14 1.78 0.09 0.51 0.00 0.00 175.35 177.87 1vgt n ASN 149 N 0.09 7.07 -4.01 2.83 3.02 -1.26 -4.22 115.26 118.79 1vgt n ASN 149 Ca -0.12 -3.73 -0.14 0.00 -0.03 0.00 0.00 54.58 50.56 1vgt n ASN 149 Cb 0.59 -1.07 -0.13 0.00 -0.61 0.00 0.00 39.78 38.56 1vgt n ASN 149 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vgt s ALA 150 N -4.17 0.50 -0.01 5.41 0.00 -1.26 -5.04 121.76 117.18 1vgt s ALA 150 Ca 0.43 -0.49 -0.30 0.00 0.00 0.00 0.00 51.96 51.60 1vgt s ALA 150 Cb 0.27 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 1vgt s ALA 150 CO -0.20 0.05 1.32 0.42 0.00 0.00 0.00 175.76 177.34 1vgt s ILE 151 N -0.74 3.92 -0.16 0.00 1.01 -1.26 -0.28 121.20 123.69 1vgt s ILE 151 Ca -0.04 1.29 -0.24 0.00 0.00 0.00 0.00 60.65 61.66 1vgt s ILE 151 Cb -0.06 -3.83 -0.23 0.00 0.01 0.00 0.00 42.46 38.35 1vgt s ILE 151 CO 0.00 0.01 0.51 0.00 0.00 0.00 0.00 174.94 175.46 1vgt h ALA 152 N 7.62 0.13 -2.17 9.38 0.00 -0.75 -3.43 119.26 130.04 1vgt h ALA 152 Ca -0.37 -0.88 0.21 0.00 0.00 0.00 0.00 54.91 53.87 1vgt h ALA 152 Cb 1.17 0.38 -0.09 0.00 0.00 0.00 0.00 17.79 19.26 1vgt h ALA 152 CO 0.89 0.41 0.56 -3.38 0.00 0.00 0.00 179.25 177.73 1vgt s HIS 153 N -2.32 -0.10 0.19 0.00 0.00 -1.06 -5.00 115.29 107.00 1vgt s HIS 153 Ca -0.23 -0.17 -0.20 0.00 -3.00 0.00 0.00 55.06 51.46 1vgt s HIS 153 Cb 0.02 0.62 -0.08 0.00 -4.00 0.00 0.00 32.58 29.14 1vgt s HIS 153 CO 0.66 -0.72 0.70 0.99 -1.00 0.00 0.00 174.74 175.37 1vgt s THR 154 N -3.07 4.59 -0.28 -5.38 2.01 -1.26 -0.79 115.64 111.45 1vgt s THR 154 Ca 0.13 1.29 -0.10 0.00 0.31 0.00 0.00 61.69 63.33 1vgt s THR 154 Cb -0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 1vgt s THR 154 CO 0.01 0.30 0.15 -0.69 -0.69 0.00 0.00 174.62 173.70 1vgt s VAL 155 N -1.41 4.84 0.13 3.82 1.01 0.25 -4.83 120.40 124.21 1vgt s VAL 155 Ca 0.40 -0.09 -0.33 0.00 0.00 0.00 0.00 61.98 61.96 1vgt s VAL 155 Cb -0.18 -3.34 -0.12 0.00 0.00 0.00 0.00 36.38 32.74 1vgt s VAL 155 CO 0.21 0.22 1.71 -0.67 0.00 0.00 0.00 175.10 176.58 1vgt n ASP 156 N 5.00 3.57 0.02 3.32 4.64 -1.26 -3.79 116.55 128.05 1vgt n ASP 156 Ca -0.15 1.04 0.12 0.00 -1.38 0.00 0.00 54.79 54.43 1vgt n ASP 156 Cb 0.51 -1.48 0.26 0.00 -1.04 0.00 0.00 41.12 39.37 1vgt n ASP 156 CO 0.00 0.00 0.00 -2.11 -0.82 0.00 0.00 177.20 174.27 1vgt n ARG 157 N 4.49 0.08 -2.08 -0.67 1.85 -1.26 -4.71 116.66 114.36 1vgt n ARG 157 Ca 0.18 0.02 -0.41 0.00 -1.00 0.00 0.00 57.85 56.64 1vgt n ARG 157 Cb 0.32 -1.55 -0.02 0.00 -1.05 0.00 0.00 32.46 30.16 1vgt n ARG 157 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1vgt s ASN 158 N -3.34 6.74 0.00 2.89 3.84 -1.26 -1.85 114.94 121.96 1vgt s ASN 158 Ca 0.10 2.60 0.00 0.00 0.21 0.00 0.00 52.86 55.77 1vgt s ASN 158 Cb 0.16 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 38.24 1vgt s ASN 158 CO 0.69 -0.62 0.00 0.61 -2.79 0.00 0.00 177.10 174.99 1vgt n GLY 159 N 1.99 0.52 3.69 1.21 0.00 -1.26 -5.02 105.19 106.31 1vgt n GLY 159 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1vgt n GLY 159 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vgt s LEU 160 N 0.00 4.13 0.04 0.99 2.96 -0.77 -5.07 118.68 120.95 1vgt s LEU 160 Ca 0.00 0.16 0.04 0.00 -0.22 0.00 0.00 54.13 54.11 1vgt s LEU 160 Cb 0.00 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 1vgt s LEU 160 CO 0.00 0.12 -0.12 0.26 -1.32 0.00 0.00 176.35 175.29 1vgt s TRP 161 N 0.71 1.05 -0.12 5.38 0.52 -1.26 -1.25 118.94 123.97 1vgt s TRP 161 Ca 0.07 -0.35 -0.29 0.00 0.02 0.00 0.00 56.10 55.54 1vgt s TRP 161 Cb -0.12 -0.62 -0.01 0.00 -1.15 0.00 0.00 33.47 31.56 1vgt s TRP 161 CO 0.01 0.01 1.01 -1.01 0.02 0.00 0.00 176.95 177.00 1vgt s HIS 162 N -0.88 3.49 0.18 -1.98 3.76 0.16 -4.89 115.29 115.12 1vgt s HIS 162 Ca -0.01 1.57 -0.30 0.00 -0.15 0.00 0.00 55.06 56.18 1vgt s HIS 162 Cb -0.08 -3.20 -0.07 0.00 1.11 0.00 0.00 32.58 30.34 1vgt s HIS 162 CO 0.01 -0.27 0.97 0.00 -0.85 0.00 0.00 174.74 174.59 1vgt s ALA 163 N 2.13 3.30 0.24 -1.40 0.00 -1.26 -1.23 121.76 123.54 1vgt s ALA 163 Ca 0.48 0.62 0.01 0.00 0.00 0.00 0.00 51.96 53.07 1vgt s ALA 163 Cb -0.18 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.68 1vgt s ALA 163 CO 0.17 0.06 0.03 1.28 0.00 0.00 0.00 175.76 177.30 1vgt n LEU 164 N 2.13 0.00 -4.28 0.00 4.77 -0.33 -4.93 117.00 114.36 1vgt n LEU 164 Ca 0.00 -1.63 -0.15 0.00 -0.03 0.00 0.00 56.01 54.20 1vgt n LEU 164 Cb 0.48 0.34 -0.10 0.00 -2.33 0.00 0.00 43.42 41.81 1vgt n LEU 164 CO 0.51 -0.24 -0.38 0.42 -1.33 0.00 0.00 177.39 176.37 1vgt s THR 165 N -2.12 1.12 0.94 -5.08 -4.23 -1.26 -4.39 115.64 100.61 1vgt s THR 165 Ca 0.05 -2.05 -0.11 0.00 -1.18 0.00 0.00 61.69 58.39 1vgt s THR 165 Cb 0.00 -2.05 0.15 0.00 1.34 0.00 0.00 72.50 71.95 1vgt s THR 165 CO 0.03 -0.58 1.10 -2.84 -0.54 0.00 0.00 174.62 171.79 1vgt s PRO 166 N -3.79 0.89 -0.11 3.99 0.02 -1.26 -4.83 135.00 129.90 1vgt s PRO 166 Ca 0.21 1.12 0.02 0.00 0.02 0.00 0.00 61.00 62.38 1vgt s PRO 166 Cb 0.04 -1.74 0.01 0.00 0.02 0.00 0.00 34.50 32.82 1vgt s PRO 166 CO 0.04 -2.58 -0.19 -0.65 -0.33 0.00 0.00 177.00 173.29 1vgt s GLN 167 N -4.74 2.59 -0.16 5.54 -0.21 0.10 -2.47 119.66 120.31 1vgt s GLN 167 Ca 0.65 -0.70 0.02 0.00 0.02 0.00 0.00 55.36 55.34 1vgt s GLN 167 Cb -0.21 -2.10 0.02 0.00 1.00 0.00 0.00 33.01 31.72 1vgt s GLN 167 CO 0.59 0.01 -0.20 0.12 -2.12 0.00 0.00 175.29 173.68 1vgt s PHE 168 N 0.78 2.66 0.05 0.91 5.36 0.66 -0.25 117.98 128.15 1vgt s PHE 168 Ca -0.10 -1.48 -0.05 0.00 -0.96 0.00 0.00 56.93 54.34 1vgt s PHE 168 Cb -0.16 -1.84 -0.01 0.00 -0.34 0.00 0.00 43.02 40.67 1vgt s PHE 168 CO 0.01 -0.72 0.09 -0.06 -1.46 0.00 0.00 175.22 173.08 1vgt s PHE 169 N 1.13 0.24 0.40 10.12 0.08 -0.57 -1.04 117.98 128.33 1vgt s PHE 169 Ca 0.00 -0.60 -0.27 0.00 0.12 0.00 0.00 56.93 56.18 1vgt s PHE 169 Cb -0.14 -0.16 -0.10 0.00 -0.57 0.00 0.00 43.02 42.04 1vgt s PHE 169 CO -0.08 -0.39 1.47 -2.30 -0.10 0.00 0.00 175.22 173.81 1vgt n PRO 170 N 0.55 2.54 -0.20 0.24 -0.02 -1.26 -0.82 135.00 136.04 1vgt n PRO 170 Ca -0.18 0.90 -0.07 0.00 -2.02 0.00 0.00 63.50 62.13 1vgt n PRO 170 Cb 0.59 -2.65 0.03 0.00 -0.02 0.00 0.00 33.50 31.45 1vgt n PRO 170 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1vgt h ARG 171 N 2.75 0.76 -0.19 -0.52 1.12 -0.73 -2.03 114.38 115.54 1vgt h ARG 171 Ca -0.51 -0.06 -0.10 0.00 -1.11 0.00 0.00 59.98 58.20 1vgt h ARG 171 Cb 1.25 -0.16 -0.00 0.00 -0.01 0.00 0.00 29.97 31.05 1vgt h ARG 171 CO 0.63 0.54 -0.26 1.49 -3.11 0.00 0.00 179.97 179.26 1vgt h GLU 172 N 0.76 0.52 -0.27 0.20 4.57 -1.91 -1.15 114.58 117.30 1vgt h GLU 172 Ca 0.20 -0.30 0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1vgt h GLU 172 Cb -0.03 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1vgt h GLU 172 CO -0.04 0.89 0.15 1.25 -1.18 0.00 0.00 179.01 180.08 1vgt h LEU 173 N 0.18 0.23 0.07 1.64 5.85 -1.94 0.86 115.31 122.20 1vgt h LEU 173 Ca 0.02 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1vgt h LEU 173 Cb 0.83 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1vgt h LEU 173 CO 0.06 0.17 -0.04 0.25 -0.34 0.00 0.00 178.44 178.55 1vgt h LEU 174 N 0.31 -0.08 -0.48 2.25 5.85 -1.31 0.48 115.31 122.33 1vgt h LEU 174 Ca 0.11 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1vgt h LEU 174 Cb 0.02 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1vgt h LEU 174 CO -0.06 -0.04 0.22 -0.74 -0.34 0.00 0.00 178.44 177.47 1vgt h HIS 175 N -0.11 0.39 -0.30 1.25 2.76 -0.96 -0.38 115.15 117.80 1vgt h HIS 175 Ca -0.01 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.11 1vgt h HIS 175 Cb 0.09 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1vgt h HIS 175 CO -0.07 0.18 -0.08 -0.44 -1.30 0.00 0.00 177.93 176.22 1vgt h ASP 176 N 0.43 0.60 0.09 3.26 3.45 -0.70 -1.21 116.42 122.33 1vgt h ASP 176 Ca 0.21 -0.37 -0.00 0.00 0.43 0.00 0.00 57.03 57.30 1vgt h ASP 176 Cb 0.16 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 38.76 1vgt h ASP 176 CO -0.17 0.83 -0.04 0.00 -1.57 0.00 0.00 179.24 178.28 1vgt h LEU 178 N -0.46 0.18 0.01 0.00 3.38 -1.08 0.61 115.31 117.95 1vgt h LEU 178 Ca -0.01 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1vgt h LEU 178 Cb 0.39 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1vgt h LEU 178 CO 0.02 0.12 -0.13 0.74 0.09 0.00 0.00 178.44 179.28 1vgt h THR 179 N 0.37 0.69 -0.59 0.22 2.02 -1.19 -1.12 112.91 113.30 1vgt h THR 179 Ca 0.29 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.47 1vgt h THR 179 Cb 0.35 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1vgt h THR 179 CO -0.30 0.00 0.37 -0.09 0.37 0.00 0.00 175.52 175.87 1vgt h ARG 180 N -0.22 0.79 -0.35 6.66 9.65 -0.93 -1.07 114.38 128.92 1vgt h ARG 180 Ca 0.04 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1vgt h ARG 180 Cb 0.27 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.66 1vgt h ARG 180 CO -0.12 0.56 0.23 0.00 2.80 0.00 0.00 179.97 183.44 1vgt h ALA 181 N 1.19 0.45 -0.56 2.80 0.00 -0.79 -0.40 119.26 121.94 1vgt h ALA 181 Ca 0.21 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1vgt h ALA 181 Cb -0.04 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1vgt h ALA 181 CO -0.04 -0.09 0.20 -0.07 0.00 0.00 0.00 179.25 179.25 1vgt h LEU 182 N 0.48 0.80 -0.86 0.00 3.38 -1.04 0.81 115.31 118.87 1vgt h LEU 182 Ca 0.13 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1vgt h LEU 182 Cb -0.05 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1vgt h LEU 182 CO -0.03 0.78 0.44 0.78 0.09 0.00 0.00 178.44 180.50 1vgt h ASN 183 N 0.78 1.11 -0.00 -0.43 2.35 -0.68 -1.37 115.58 117.34 1vgt h ASN 183 Ca 0.18 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1vgt h ASN 183 Cb 0.24 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1vgt h ASN 183 CO -0.01 0.91 0.00 -0.62 -1.65 0.00 0.00 177.43 176.06 1vgt n GLU 184 N -4.33 1.02 -2.02 0.81 -0.58 -0.21 -4.91 120.64 110.43 1vgt n GLU 184 Ca 0.09 -0.03 -0.09 0.00 -0.42 0.00 0.00 57.16 56.71 1vgt n GLU 184 Cb 0.12 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.48 1vgt n GLU 184 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1vgt n GLY 185 N 1.00 0.18 3.72 0.62 0.00 -0.51 -5.00 105.19 105.20 1vgt n GLY 185 Ca 0.24 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1vgt n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vgt s ALA 186 N -2.45 1.97 -0.66 4.61 0.00 0.18 -4.93 121.76 120.48 1vgt s ALA 186 Ca 0.00 0.70 -0.22 0.00 0.00 0.00 0.00 51.96 52.44 1vgt s ALA 186 Cb 0.00 -3.43 0.08 0.00 0.00 0.00 0.00 23.12 19.77 1vgt s ALA 186 CO 0.00 -2.08 0.93 0.99 0.00 0.00 0.00 175.76 175.60 1vgt s THR 187 N -2.32 4.41 -0.21 0.00 2.01 -1.26 -4.81 115.64 113.46 1vgt s THR 187 Ca 0.70 -0.49 -0.09 0.00 0.31 0.00 0.00 61.69 62.12 1vgt s THR 187 Cb -0.25 -4.66 -0.05 0.00 0.01 0.00 0.00 72.50 67.55 1vgt s THR 187 CO 0.50 -1.41 0.12 -0.63 -0.69 0.00 0.00 174.62 172.50 1vgt s ILE 188 N 3.82 5.15 0.00 1.82 1.01 -1.26 -4.94 121.20 126.81 1vgt s ILE 188 Ca 0.21 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1vgt s ILE 188 Cb -0.18 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.93 1vgt s ILE 188 CO 0.09 0.41 0.00 0.35 0.00 0.00 0.00 174.94 175.79 1vgt n THR 189 N 3.82 0.00 -3.47 2.92 -2.24 -1.26 -4.96 114.28 109.08 1vgt n THR 189 Ca -0.16 0.10 -0.23 0.00 -2.27 0.00 0.00 64.05 61.49 1vgt n THR 189 Cb 0.52 -1.01 0.03 0.00 -2.10 0.00 0.00 70.33 67.77 1vgt n THR 189 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1vgt s ASP 190 N -1.49 4.85 0.18 3.42 3.84 -1.26 -4.91 116.67 121.30 1vgt s ASP 190 Ca 0.00 -1.07 -0.10 0.00 -0.00 0.00 0.00 52.55 51.39 1vgt s ASP 190 Cb 0.00 0.39 0.08 0.00 -1.38 0.00 0.00 42.92 42.01 1vgt s ASP 190 CO 0.00 -1.24 1.68 -0.33 -0.00 0.00 0.00 175.17 175.28 1vgt h GLU 191 N 0.46 1.04 -0.97 2.11 3.07 -1.98 -2.12 114.58 116.18 1vgt h GLU 191 Ca -0.33 -0.27 0.17 0.00 -0.50 0.00 0.00 59.36 58.43 1vgt h GLU 191 Cb 1.30 -0.12 -0.10 0.00 -0.84 0.00 0.00 28.75 28.98 1vgt h GLU 191 CO 0.49 0.96 0.58 0.00 -1.40 0.00 0.00 179.01 179.64 1vgt h ALA 192 N 1.04 1.57 0.00 3.43 0.00 -1.97 -0.94 119.26 122.39 1vgt h ALA 192 Ca 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1vgt h ALA 192 Cb 0.41 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1vgt h ALA 192 CO 0.01 -0.02 -0.09 0.66 0.00 0.00 0.00 179.25 179.81 1vgt h SER 193 N 0.77 0.00 -0.24 0.00 4.64 -1.76 0.51 113.55 117.46 1vgt h SER 193 Ca 0.55 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.73 1vgt h SER 193 Cb 0.80 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1vgt h SER 193 CO -0.37 0.09 -0.37 0.00 -0.87 0.00 0.00 176.83 175.31 1vgt h ALA 194 N 1.91 0.36 -0.71 5.18 0.00 -1.17 -1.48 119.26 123.35 1vgt h ALA 194 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1vgt h ALA 194 Cb 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1vgt h ALA 194 CO 0.01 0.44 0.37 -0.07 0.00 0.00 0.00 179.25 180.00 1vgt h LEU 195 N 0.38 0.89 -0.47 0.00 4.07 -1.06 -2.04 115.31 117.08 1vgt h LEU 195 Ca 0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 1vgt h LEU 195 Cb 0.96 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 42.45 1vgt h LEU 195 CO 0.09 0.73 0.26 -0.33 -1.08 0.00 0.00 178.44 178.11 1vgt h GLU 196 N 0.99 0.65 -0.79 1.13 5.08 -0.81 0.21 114.58 121.05 1vgt h GLU 196 Ca 0.25 -0.08 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1vgt h GLU 196 Cb 0.06 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1vgt h GLU 196 CO -0.04 0.52 0.52 -0.92 -1.00 0.00 0.00 179.01 178.09 1vgt h TYR 197 N 0.62 0.94 -0.00 4.33 3.20 -0.63 -1.80 116.97 123.63 1vgt h TYR 197 Ca 0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1vgt h TYR 197 Cb 0.05 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.01 1vgt h TYR 197 CO -0.02 0.55 -0.03 0.00 -1.64 0.00 0.00 178.16 177.02 1vgt n GLY 199 N 1.35 0.99 3.94 0.00 0.00 -0.68 -5.09 105.19 105.71 1vgt n GLY 199 Ca 0.12 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1vgt n GLY 199 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vgt s PHE 200 N -2.00 3.34 -0.42 1.61 0.40 -0.00 -5.00 117.98 115.90 1vgt s PHE 200 Ca 0.00 -0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.28 1vgt s PHE 200 Cb 0.00 -1.59 0.13 0.00 0.51 0.00 0.00 43.02 42.07 1vgt s PHE 200 CO 0.00 0.40 0.21 -1.01 0.70 0.00 0.00 175.22 175.52 1vgt s HIS 201 N -2.04 2.04 0.54 0.36 3.76 -1.26 -3.89 115.29 114.80 1vgt s HIS 201 Ca 0.35 -2.38 -0.21 0.00 -0.15 0.00 0.00 55.06 52.67 1vgt s HIS 201 Cb -0.09 -1.93 -0.05 0.00 1.11 0.00 0.00 32.58 31.63 1vgt s HIS 201 CO 0.28 -0.80 1.27 -2.14 -0.85 0.00 0.00 174.74 172.51 1vgt s PRO 202 N 0.52 3.21 0.47 8.40 0.02 -1.26 -4.94 135.00 141.42 1vgt s PRO 202 Ca 0.16 2.02 -0.21 0.00 0.02 0.00 0.00 61.00 62.99 1vgt s PRO 202 Cb -0.24 -2.19 -0.09 0.00 0.02 0.00 0.00 34.50 32.01 1vgt s PRO 202 CO -0.03 -1.06 1.03 -0.65 -0.33 0.00 0.00 177.00 175.96 1vgt s GLN 203 N -2.98 3.90 -0.36 5.54 1.11 -0.24 -4.87 119.66 121.74 1vgt s GLN 203 Ca 0.72 1.35 -0.13 0.00 0.01 0.00 0.00 55.36 57.31 1vgt s GLN 203 Cb -0.35 -2.15 0.00 0.00 -1.01 0.00 0.00 33.01 29.50 1vgt s GLN 203 CO 0.41 -0.35 0.24 -0.51 0.01 0.00 0.00 175.29 175.09 1vgt s LEU 204 N -3.35 4.69 -0.27 2.90 1.43 -1.26 -0.94 118.68 121.88 1vgt s LEU 204 Ca 0.66 -0.70 -0.09 0.00 -1.03 0.00 0.00 54.13 52.97 1vgt s LEU 204 Cb -0.16 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 1vgt s LEU 204 CO 0.20 -0.33 0.12 -0.69 0.23 0.00 0.00 176.35 175.88 1vgt s VAL 205 N 1.66 4.67 0.14 -1.59 1.01 -0.06 -4.97 120.40 121.25 1vgt s VAL 205 Ca 0.05 -0.10 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 1vgt s VAL 205 Cb -0.18 -3.23 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 1vgt s VAL 205 CO 0.09 0.27 1.48 -0.70 0.00 0.00 0.00 175.10 176.24 1vgt s GLU 206 N 1.66 4.27 0.30 2.72 2.12 -1.26 -1.44 118.70 127.07 1vgt s GLU 206 Ca 0.06 2.22 0.06 0.00 0.36 0.00 0.00 54.97 57.67 1vgt s GLU 206 Cb -0.16 -3.21 -0.06 0.00 0.26 0.00 0.00 34.13 30.97 1vgt s GLU 206 CO 0.06 -0.53 -0.02 0.20 -0.54 0.00 0.00 175.26 174.44 1vgt s GLY 207 N 1.14 1.95 0.56 -1.50 0.00 -0.35 -4.82 107.32 104.28 1vgt s GLY 207 Ca 0.67 -1.98 -0.20 0.00 0.00 0.00 0.00 44.72 43.21 1vgt s GLY 207 CO 0.31 -1.85 1.24 0.50 0.00 0.00 0.00 173.10 173.29 1vgt s ARG 208 N -3.77 3.16 0.00 2.90 0.52 -1.26 -4.56 118.95 115.94 1vgt s ARG 208 Ca 0.32 1.93 0.28 0.00 -0.52 0.00 0.00 55.73 57.73 1vgt s ARG 208 Cb 0.06 -2.11 1.59 0.00 0.52 0.00 0.00 34.95 35.01 1vgt s ARG 208 CO 0.13 -1.08 2.03 0.00 0.02 0.00 0.00 175.30 176.41 1vgt n ALA 209 N -1.23 2.65 1.67 2.13 0.00 -1.26 -2.85 120.51 121.63 1vgt n ALA 209 Ca 0.12 -0.21 0.10 0.00 0.00 0.00 0.00 53.44 53.44 1vgt n ALA 209 Cb 0.48 -1.42 0.47 0.00 0.00 0.00 0.00 19.45 18.98 1vgt n ALA 209 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1vgt n ASP 210 N -0.80 0.71 -4.27 0.00 3.85 -1.26 -4.36 116.55 110.43 1vgt n ASP 210 Ca 0.21 -1.55 -0.43 0.00 -0.71 0.00 0.00 54.79 52.31 1vgt n ASP 210 Cb 0.13 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 1vgt n ASP 210 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1vgt n ASN 211 N -0.31 4.71 -4.93 -1.12 2.85 -1.13 -4.72 115.26 110.61 1vgt n ASN 211 Ca 0.15 -2.93 -0.25 0.00 -0.11 0.00 0.00 54.58 51.44 1vgt n ASN 211 Cb 0.18 -1.67 -0.01 0.00 1.24 0.00 0.00 39.78 39.51 1vgt n ASN 211 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 1vgt s ILE 212 N 3.17 5.06 -0.28 -1.44 -5.25 -1.26 -4.96 121.20 116.25 1vgt s ILE 212 Ca 0.49 -0.27 -0.08 0.00 -0.99 0.00 0.00 60.65 59.80 1vgt s ILE 212 Cb 0.06 -3.84 -0.02 0.00 2.95 0.00 0.00 42.46 41.61 1vgt s ILE 212 CO 0.02 -0.57 0.11 -0.75 -1.79 0.00 0.00 174.94 171.95 1vgt s LYS 213 N -4.27 3.54 -0.55 0.37 2.20 -1.26 -4.28 119.74 115.48 1vgt s LYS 213 Ca 0.42 -0.57 -0.27 0.00 -0.36 0.00 0.00 55.97 55.19 1vgt s LYS 213 Cb -0.10 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1vgt s LYS 213 CO 0.37 -0.28 1.78 0.08 -0.36 0.00 0.00 175.35 176.93 1vgt s VAL 214 N 1.62 3.44 0.32 4.02 1.01 0.28 -5.02 120.40 126.08 1vgt s VAL 214 Ca 0.06 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1vgt s VAL 214 Cb -0.16 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1vgt s VAL 214 CO 0.05 -0.86 0.00 0.41 0.00 0.00 0.00 175.10 174.70 1vgt n THR 215 N 7.19 -4.11 0.00 3.92 -1.04 -1.26 -4.84 114.28 114.14 1vgt n THR 215 Ca 0.20 1.73 0.00 0.00 -2.04 0.00 0.00 64.05 63.93 1vgt n THR 215 Cb 0.51 -2.47 0.00 0.00 -1.82 0.00 0.00 70.33 66.55 1vgt n THR 215 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1vgt n GLU 218 N -0.46 0.00 0.13 -2.82 -0.00 -1.26 -5.16 120.64 111.07 1vgt n GLU 218 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.16 57.26 1vgt n GLU 218 Cb 0.00 -0.41 0.59 0.00 -0.00 0.00 0.00 31.44 31.62 1vgt n GLU 218 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1vgt h ASP 219 N 0.00 0.13 0.20 -1.84 3.32 -1.98 -2.91 116.42 113.34 1vgt h ASP 219 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vgt h ASP 219 Cb 0.00 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1vgt h ASP 219 CO 0.00 0.09 -0.19 0.25 -1.72 0.00 0.00 179.24 177.67 1vgt h LEU 220 N 0.16 -0.51 -0.74 1.55 5.85 -1.98 0.18 115.31 119.82 1vgt h LEU 220 Ca 0.10 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.91 1vgt h LEU 220 Cb 0.22 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1vgt h LEU 220 CO -0.02 -0.29 0.45 0.00 -0.34 0.00 0.00 178.44 178.25 1vgt h ALA 221 N 0.33 0.98 -0.33 1.25 0.00 -1.95 0.20 119.26 119.74 1vgt h ALA 221 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1vgt h ALA 221 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1vgt h ALA 221 CO -0.05 0.21 -0.06 1.25 0.00 0.00 0.00 179.25 180.60 1vgt h LEU 222 N 0.87 0.63 -1.03 0.00 5.85 -1.50 -1.52 115.31 118.61 1vgt h LEU 222 Ca 0.31 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.70 1vgt h LEU 222 Cb 0.07 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1vgt h LEU 222 CO -0.13 0.84 0.65 0.00 -0.34 0.00 0.00 178.44 179.46 1vgt h ALA 223 N 0.81 1.34 -0.54 1.25 0.00 -0.20 -0.74 119.26 121.17 1vgt h ALA 223 Ca 0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1vgt h ALA 223 Cb 0.55 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1vgt h ALA 223 CO 0.03 0.58 0.22 1.49 0.00 0.00 0.00 179.25 181.57 1vgt h GLU 224 N 1.28 0.80 -0.29 0.00 4.81 -0.23 0.14 114.58 121.09 1vgt h GLU 224 Ca 0.39 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.52 1vgt h GLU 224 Cb -0.04 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.17 1vgt h GLU 224 CO -0.11 0.70 0.04 0.35 -0.73 0.00 0.00 179.01 179.26 1vgt h PHE 225 N 0.73 0.06 -0.70 0.92 3.57 -0.56 -2.11 116.94 118.86 1vgt h PHE 225 Ca 0.18 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1vgt h PHE 225 Cb 0.18 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1vgt h PHE 225 CO 0.01 0.00 0.45 1.88 -2.23 0.00 0.00 178.31 178.41 1vgt h TYR 226 N 0.14 0.89 0.00 0.41 0.99 -0.81 -3.52 116.97 115.08 1vgt h TYR 226 Ca 0.14 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.88 1vgt h TYR 226 Cb 0.16 -0.30 0.00 0.00 1.00 0.00 0.00 36.73 37.59 1vgt h TYR 226 CO -0.18 0.58 0.00 1.28 -0.00 0.00 0.00 178.16 179.83