#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h83 s MET 1 N 0.00 2.23 0.34 0.00 1.00 -1.26 -5.05 119.30 116.57 3h83 s MET 1 Ca 0.00 -1.47 0.08 0.00 0.00 0.00 0.00 55.69 54.30 3h83 s MET 1 Cb 0.00 -2.12 0.79 0.00 0.00 0.00 0.00 34.83 33.50 3h83 s MET 1 CO 0.00 0.34 1.85 0.52 0.00 0.00 0.00 175.02 177.73 3h83 h MET 2 N 1.90 0.70 -0.66 2.03 2.07 -2.05 -2.71 114.93 116.22 3h83 h MET 2 Ca -0.44 -0.04 0.12 0.00 -2.07 0.00 0.00 59.70 57.27 3h83 h MET 2 Cb 1.25 -0.16 -0.08 0.00 -1.87 0.00 0.00 31.60 30.74 3h83 h MET 2 CO 0.61 0.47 0.22 -2.95 1.07 0.00 0.00 176.91 176.32 3h83 h ASN 3 N 0.73 0.17 -0.05 1.22 7.08 -1.96 0.85 115.58 123.61 3h83 h ASN 3 Ca 0.47 0.10 0.01 0.00 -3.08 0.00 0.00 56.30 53.80 3h83 h ASN 3 Cb 0.73 0.10 -0.00 0.00 -2.08 0.00 0.00 38.32 37.07 3h83 h ASN 3 CO -0.23 0.08 0.10 -0.61 -2.08 0.00 0.00 177.43 174.69 3h83 h GLN 4 N 0.37 0.00 -0.01 4.14 5.75 -1.91 -0.96 115.11 122.49 3h83 h GLN 4 Ca 0.35 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.85 3h83 h GLN 4 Cb 0.49 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.04 3h83 h GLN 4 CO -0.37 0.00 -0.09 -0.25 -2.65 0.00 0.00 178.83 175.47 3h83 n ASP 5 N -3.44 0.62 -4.54 -0.69 8.00 0.29 -4.79 116.55 112.00 3h83 n ASP 5 Ca -0.02 -0.81 -0.36 0.00 0.71 0.00 0.00 54.79 54.32 3h83 n ASP 5 Cb 0.18 -0.03 -0.11 0.00 -0.02 0.00 0.00 41.12 41.13 3h83 n ASP 5 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h83 s ILE 6 N -2.33 4.67 0.04 0.53 -1.09 -0.37 -0.66 121.20 121.99 3h83 s ILE 6 Ca 0.33 -0.06 -0.16 0.00 -2.23 0.00 0.00 60.65 58.53 3h83 s ILE 6 Cb 0.20 -3.16 -0.28 0.00 -1.58 0.00 0.00 42.46 37.65 3h83 s ILE 6 CO 0.44 0.37 1.10 -0.08 -1.23 0.00 0.00 174.94 175.54 3h83 h GLU 7 N 7.69 0.60 -2.18 2.79 4.81 -0.75 -3.45 114.58 124.09 3h83 h GLU 7 Ca -0.37 -0.76 -0.06 0.00 -0.13 0.00 0.00 59.36 58.04 3h83 h GLU 7 Cb 1.18 0.24 -0.21 0.00 0.63 0.00 0.00 28.75 30.59 3h83 h GLU 7 CO 0.62 1.33 0.06 0.21 -0.73 0.00 0.00 179.01 180.50 3h83 s LYS 8 N -3.03 0.83 -0.22 1.92 2.20 -1.20 -5.01 119.74 115.22 3h83 s LYS 8 Ca -0.10 0.66 -0.24 0.00 -0.36 0.00 0.00 55.97 55.93 3h83 s LYS 8 Cb 0.05 0.40 -0.01 0.00 -1.51 0.00 0.00 37.83 36.76 3h83 s LYS 8 CO 0.91 -0.16 0.81 0.08 -0.36 0.00 0.00 175.35 176.63 3h83 s VAL 9 N -0.16 4.87 -0.10 4.02 1.01 -1.26 -1.00 120.40 127.77 3h83 s VAL 9 Ca -0.04 1.54 -0.10 0.00 0.00 0.00 0.00 61.98 63.39 3h83 s VAL 9 Cb -0.03 -4.10 -0.28 0.00 0.00 0.00 0.00 36.38 31.97 3h83 s VAL 9 CO 0.03 -0.03 0.48 -0.07 0.00 0.00 0.00 175.10 175.51 3h83 h LEU 10 N 8.90 0.47 -7.37 3.92 3.38 -1.22 -3.46 115.31 119.92 3h83 h LEU 10 Ca -0.25 -0.93 -0.46 0.00 0.09 0.00 0.00 57.88 56.33 3h83 h LEU 10 Cb 1.11 -0.15 -0.39 0.00 0.09 0.00 0.00 40.66 41.32 3h83 h LEU 10 CO 0.85 1.80 -0.76 -0.63 0.09 0.00 0.00 178.44 179.79 3h83 s ILE 11 N -2.55 0.38 0.84 1.22 1.01 -1.00 -5.03 121.20 116.07 3h83 s ILE 11 Ca -0.20 -0.12 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 3h83 s ILE 11 Cb 0.06 -0.69 0.09 0.00 0.01 0.00 0.00 42.46 41.93 3h83 s ILE 11 CO 0.79 0.06 1.10 -0.94 0.00 0.00 0.00 174.94 175.95 3h83 s SER 12 N 1.95 4.13 0.15 3.58 1.04 -1.26 -1.84 113.70 121.44 3h83 s SER 12 Ca 0.03 1.27 -0.15 0.00 0.48 0.00 0.00 55.95 57.57 3h83 s SER 12 Cb -0.14 -1.97 0.02 0.00 0.10 0.00 0.00 66.02 64.03 3h83 s SER 12 CO -0.06 -2.20 1.77 -0.08 0.98 0.00 0.00 173.24 173.65 3h83 h GLU 13 N -1.25 0.61 -0.92 4.02 4.81 -1.96 -1.30 114.58 118.60 3h83 h GLU 13 Ca -0.48 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 58.77 3h83 h GLU 13 Cb 1.28 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 30.47 3h83 h GLU 13 CO 0.59 0.47 0.57 1.49 -0.73 0.00 0.00 179.01 181.40 3h83 h GLU 14 N 0.58 0.95 -0.41 1.92 4.81 -1.92 -0.17 114.58 120.34 3h83 h GLU 14 Ca 0.16 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 3h83 h GLU 14 Cb 0.03 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3h83 h GLU 14 CO -0.03 0.63 -0.19 1.96 -0.73 0.00 0.00 179.01 180.65 3h83 h GLN 15 N 0.98 0.79 -0.33 1.92 4.20 -1.71 -2.43 115.11 118.53 3h83 h GLN 15 Ca 0.43 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 3h83 h GLN 15 Cb 0.30 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3h83 h GLN 15 CO -0.21 0.92 0.09 0.82 -0.67 0.00 0.00 178.83 179.78 3h83 h ILE 16 N 0.70 1.21 -0.57 2.54 2.04 -0.83 -1.68 117.51 120.92 3h83 h ILE 16 Ca 0.10 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.29 3h83 h ILE 16 Cb 0.70 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3h83 h ILE 16 CO 0.05 0.24 0.35 1.56 0.00 0.00 0.00 178.15 180.35 3h83 h GLN 17 N 0.38 0.66 -0.67 2.37 4.20 -0.95 0.15 115.11 121.25 3h83 h GLN 17 Ca 0.11 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 3h83 h GLN 17 Cb 0.27 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 3h83 h GLN 17 CO -0.00 0.44 0.17 0.93 -0.67 0.00 0.00 178.83 179.70 3h83 h GLU 18 N 0.68 1.07 -0.36 1.46 5.08 -1.42 -1.04 114.58 120.05 3h83 h GLU 18 Ca 0.23 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3h83 h GLU 18 Cb 0.03 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3h83 h GLU 18 CO -0.10 0.95 0.09 -0.22 -1.00 0.00 0.00 179.01 178.73 3h83 h LYS 19 N 1.00 0.58 -0.85 2.33 1.63 -0.70 -1.92 116.57 118.65 3h83 h LYS 19 Ca 0.21 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.85 3h83 h LYS 19 Cb 0.36 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.87 3h83 h LYS 19 CO 0.00 0.63 0.46 0.28 -3.45 0.00 0.00 179.45 177.36 3h83 h VAL 20 N 0.44 1.25 -0.43 2.00 2.07 -0.52 0.98 116.25 122.04 3h83 h VAL 20 Ca 0.11 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3h83 h VAL 20 Cb 0.31 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3h83 h VAL 20 CO 0.00 0.28 0.28 0.25 0.02 0.00 0.00 177.57 178.40 3h83 h LEU 21 N 1.19 0.51 -0.15 2.57 5.85 -1.05 -1.35 115.31 122.88 3h83 h LEU 21 Ca 0.30 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 3h83 h LEU 21 Cb 0.04 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3h83 h LEU 21 CO -0.05 0.39 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.34 3h83 h GLU 22 N 0.58 0.28 -0.80 1.25 4.81 -0.86 -2.71 114.58 117.14 3h83 h GLU 22 Ca 0.16 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3h83 h GLU 22 Cb -0.04 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 3h83 h GLU 22 CO -0.03 0.53 0.36 -0.07 -0.73 0.00 0.00 179.01 179.07 3h83 h LEU 23 N -0.00 1.05 -0.92 1.64 3.38 -0.70 -2.58 115.31 117.18 3h83 h LEU 23 Ca 0.04 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3h83 h LEU 23 Cb 0.42 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3h83 h LEU 23 CO 0.01 0.90 0.07 1.23 0.09 0.00 0.00 178.44 180.75 3h83 h GLY 24 N 1.16 0.93 1.21 0.83 0.00 -1.21 -0.01 103.07 105.99 3h83 h GLY 24 Ca 0.27 -0.59 -0.12 0.00 0.00 0.00 0.00 47.33 46.89 3h83 h GLY 24 CO -0.03 0.55 -0.21 0.00 0.00 0.00 0.00 176.54 176.84 3h83 h ALA 25 N 1.25 0.78 -0.13 3.60 0.00 -1.22 0.11 119.26 123.65 3h83 h ALA 25 Ca 0.17 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3h83 h ALA 25 Cb 0.39 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3h83 h ALA 25 CO 0.01 0.66 0.02 0.82 0.00 0.00 0.00 179.25 180.76 3h83 h ILE 26 N 0.78 1.22 -0.74 0.00 2.04 -1.06 -2.28 117.51 117.47 3h83 h ILE 26 Ca 0.10 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 3h83 h ILE 26 Cb 0.76 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 3h83 h ILE 26 CO 0.06 0.20 0.35 0.40 0.00 0.00 0.00 178.15 179.17 3h83 h ILE 27 N -0.02 1.24 -0.70 -0.67 2.04 -0.93 -0.36 117.51 118.10 3h83 h ILE 27 Ca 0.04 -0.67 0.03 0.00 1.00 0.00 0.00 64.86 65.26 3h83 h ILE 27 Cb 0.30 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 3h83 h ILE 27 CO 0.00 0.28 0.44 0.00 0.00 0.00 0.00 178.15 178.88 3h83 h ALA 28 N 1.18 0.92 -0.25 1.87 0.00 -0.63 -1.50 119.26 120.85 3h83 h ALA 28 Ca 0.25 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3h83 h ALA 28 Cb 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3h83 h ALA 28 CO -0.03 0.22 0.03 1.49 0.00 0.00 0.00 179.25 180.96 3h83 h GLU 29 N 0.86 0.42 -0.26 0.00 4.81 -1.11 -2.13 114.58 117.18 3h83 h GLU 29 Ca 0.28 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 3h83 h GLU 29 Cb 0.01 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3h83 h GLU 29 CO -0.11 0.56 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.26 3h83 h ASP 30 N 0.22 0.37 -0.64 1.04 3.32 -0.63 -2.77 116.42 117.33 3h83 h ASP 30 Ca 0.07 -0.07 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 3h83 h ASP 30 Cb 0.35 -0.10 -0.13 0.00 0.22 0.00 0.00 39.33 39.68 3h83 h ASP 30 CO 0.01 0.46 0.22 -1.22 -1.72 0.00 0.00 179.24 176.99 3h83 n TYR 31 N -4.29 2.09 -0.08 4.55 4.01 -0.60 -4.72 117.16 118.11 3h83 n TYR 31 Ca 0.01 -1.29 0.03 0.00 -0.16 0.00 0.00 57.90 56.48 3h83 n TYR 31 Cb 0.24 -0.63 0.37 0.00 -0.31 0.00 0.00 39.34 39.00 3h83 n TYR 31 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3h83 h LYS 32 N 2.08 0.69 0.20 -0.72 2.10 -1.08 -3.24 116.57 116.60 3h83 h LYS 32 Ca 0.26 -0.04 -0.31 0.00 -2.00 0.00 0.00 60.65 58.56 3h83 h LYS 32 Cb 2.16 -0.15 0.03 0.00 -0.90 0.00 0.00 32.23 33.36 3h83 h LYS 32 CO 0.65 0.45 -1.38 -0.91 -2.00 0.00 0.00 179.45 176.27 3h83 h ASN 33 N 0.71 0.72 -4.43 7.07 2.35 -1.85 -3.47 115.58 116.68 3h83 h ASN 33 Ca 0.20 -0.76 -0.43 0.00 -0.55 0.00 0.00 56.30 54.76 3h83 h ASN 33 Cb -0.05 -0.23 -0.21 0.00 0.05 0.00 0.00 38.32 37.87 3h83 h ASN 33 CO -0.05 1.59 -0.79 0.42 -1.65 0.00 0.00 177.43 176.96 3h83 s THR 34 N -2.67 1.20 -0.56 2.81 -4.23 -1.22 -5.10 115.64 105.86 3h83 s THR 34 Ca -0.07 -1.35 -0.25 0.00 -1.18 0.00 0.00 61.69 58.84 3h83 s THR 34 Cb 0.05 -1.15 0.04 0.00 1.34 0.00 0.00 72.50 72.78 3h83 s THR 34 CO 0.93 -0.21 1.01 0.54 -0.54 0.00 0.00 174.62 176.35 3h83 s VAL 35 N -1.28 4.28 0.84 2.29 0.11 -1.26 -4.85 120.40 120.53 3h83 s VAL 35 Ca -0.01 0.45 -0.12 0.00 -2.93 0.00 0.00 61.98 59.37 3h83 s VAL 35 Cb -0.10 -4.60 0.09 0.00 -1.53 0.00 0.00 36.38 30.25 3h83 s VAL 35 CO 0.03 -1.19 1.11 -2.16 -3.33 0.00 0.00 175.10 169.56 3h83 s PRO 36 N 4.25 1.73 -0.36 1.54 0.04 -1.26 -4.79 135.00 136.16 3h83 s PRO 36 Ca 0.34 0.52 -0.11 0.00 0.04 0.00 0.00 61.00 61.79 3h83 s PRO 36 Cb -0.11 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.56 3h83 s PRO 36 CO 0.21 -1.84 0.20 -1.17 0.04 0.00 0.00 177.00 174.44 3h83 s LEU 37 N -5.88 4.59 -0.25 -3.56 2.96 -0.30 -1.85 118.68 114.39 3h83 s LEU 37 Ca 0.62 -0.88 -0.17 0.00 -0.22 0.00 0.00 54.13 53.48 3h83 s LEU 37 Cb -0.15 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 3h83 s LEU 37 CO 0.54 -0.34 0.48 0.00 -1.32 0.00 0.00 176.35 175.71 3h83 s ALA 38 N 1.57 3.58 -0.11 5.97 0.00 0.85 -1.12 121.76 132.50 3h83 s ALA 38 Ca 0.03 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.40 3h83 s ALA 38 Cb -0.19 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 3h83 s ALA 38 CO 0.07 -0.66 -0.18 0.42 0.00 0.00 0.00 175.76 175.41 3h83 s ILE 39 N 2.11 2.57 -0.08 0.00 1.01 0.00 -0.83 121.20 125.97 3h83 s ILE 39 Ca 0.20 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 60.02 3h83 s ILE 39 Cb -0.16 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 3h83 s ILE 39 CO 0.09 0.54 -0.10 -0.83 0.00 0.00 0.00 174.94 174.65 3h83 s GLY 40 N 0.29 1.63 -0.22 6.18 0.00 -0.87 -0.37 107.32 113.96 3h83 s GLY 40 Ca -0.14 -0.90 -0.20 0.00 0.00 0.00 0.00 44.72 43.48 3h83 s GLY 40 CO 0.07 -0.53 0.59 0.54 0.00 0.00 0.00 173.10 173.77 3h83 s VAL 41 N -0.44 5.03 0.64 1.40 0.11 -1.26 -1.91 120.40 123.98 3h83 s VAL 41 Ca 0.06 1.09 -0.16 0.00 -2.93 0.00 0.00 61.98 60.03 3h83 s VAL 41 Cb -0.12 -3.91 -0.01 0.00 -1.53 0.00 0.00 36.38 30.81 3h83 s VAL 41 CO 0.02 0.10 1.15 -0.76 -3.33 0.00 0.00 175.10 172.28 3h83 s LEU 42 N 2.05 3.47 -0.11 2.54 1.43 -0.57 -3.41 118.68 124.08 3h83 s LEU 42 Ca 0.26 2.16 0.19 0.00 -1.03 0.00 0.00 54.13 55.71 3h83 s LEU 42 Cb -0.16 -4.57 -0.26 0.00 0.03 0.00 0.00 46.19 41.23 3h83 s LEU 42 CO 0.10 -1.69 0.31 0.29 0.23 0.00 0.00 176.35 175.59 3h83 n LYS 43 N -2.17 0.67 0.25 1.70 5.02 -1.26 -4.76 118.16 117.60 3h83 n LYS 43 Ca 0.12 -0.03 0.09 0.00 -2.02 0.00 0.00 58.31 56.47 3h83 n LYS 43 Cb 0.51 -1.56 0.63 0.00 -0.02 0.00 0.00 35.03 34.59 3h83 n LYS 43 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3h83 h GLY 44 N 3.95 0.00 2.00 0.72 0.00 -1.76 -2.50 103.07 105.49 3h83 h GLY 44 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 3h83 h GLY 44 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 3h83 n ALA 45 N -2.39 1.88 0.01 3.60 0.00 -1.22 -4.34 120.51 118.05 3h83 n ALA 45 Ca -0.02 0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 3h83 n ALA 45 Cb 0.23 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.24 3h83 n ALA 45 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3h83 h MET 46 N 0.00 -0.12 -0.50 0.00 2.86 -1.72 -0.81 114.93 114.65 3h83 h MET 46 Ca 0.00 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3h83 h MET 46 Cb 0.49 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 3h83 h MET 46 CO 0.00 -0.08 0.24 -1.35 1.06 0.00 0.00 176.91 176.78 3h83 h PRO 47 N -0.12 0.72 -0.64 -0.22 0.11 -1.84 -1.54 132.00 128.46 3h83 h PRO 47 Ca 0.07 -0.10 -0.08 0.00 0.11 0.00 0.00 66.00 66.00 3h83 h PRO 47 Cb 0.23 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 3h83 h PRO 47 CO -0.17 0.60 0.08 0.35 -0.21 0.00 0.00 178.00 178.64 3h83 h PHE 48 N 0.66 1.15 -0.61 0.65 3.57 -1.77 -2.21 116.94 118.38 3h83 h PHE 48 Ca 0.17 -0.17 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 3h83 h PHE 48 Cb 0.12 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 3h83 h PHE 48 CO -0.01 0.98 0.22 1.98 -2.23 0.00 0.00 178.31 179.26 3h83 h MET 49 N 0.99 0.92 -0.09 1.11 4.05 -0.98 0.18 114.93 121.11 3h83 h MET 49 Ca 0.19 -0.18 -0.00 0.00 -0.28 0.00 0.00 59.70 59.43 3h83 h MET 49 Cb 0.47 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.12 3h83 h MET 49 CO 0.02 0.80 0.06 0.00 0.23 0.00 0.00 176.91 178.01 3h83 h ALA 50 N 1.08 0.12 0.00 0.39 0.00 -1.15 -0.33 119.26 119.37 3h83 h ALA 50 Ca 0.20 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.87 3h83 h ALA 50 Cb 0.24 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3h83 h ALA 50 CO -0.01 -0.37 -0.92 -0.44 0.00 0.00 0.00 179.25 177.50 3h83 h ASP 51 N 0.09 0.41 0.11 0.00 3.32 -1.23 -2.59 116.42 116.53 3h83 h ASP 51 Ca 0.03 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 3h83 h ASP 51 Cb 0.02 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3h83 h ASP 51 CO -0.01 1.13 -0.05 0.25 -1.72 0.00 0.00 179.24 178.85 3h83 h LEU 52 N 0.17 -0.12 -1.24 1.55 5.85 -0.62 -3.08 115.31 117.82 3h83 h LEU 52 Ca -0.06 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.34 3h83 h LEU 52 Cb 1.55 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.60 3h83 h LEU 52 CO 0.15 0.18 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.08 3h83 h LEU 53 N -0.43 0.17 -2.02 2.25 3.38 -1.09 -1.79 115.31 115.78 3h83 h LEU 53 Ca -0.01 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 57.99 3h83 h LEU 53 Cb 0.36 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3h83 h LEU 53 CO 0.02 0.45 0.20 0.11 0.09 0.00 0.00 178.44 179.31 3h83 h LYS 54 N 0.15 0.00 -0.70 1.13 1.57 -1.43 -1.51 116.57 115.79 3h83 h LYS 54 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3h83 h LYS 54 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3h83 h LYS 54 CO 0.04 0.00 0.00 0.54 -0.57 0.00 0.00 179.45 179.46 3h83 n ARG 55 N -4.41 3.28 -3.68 3.15 5.12 -0.71 -4.78 116.66 114.62 3h83 n ARG 55 Ca 0.04 -2.80 -0.38 0.00 -1.93 0.00 0.00 57.85 52.78 3h83 n ARG 55 Cb 0.36 -1.75 -0.09 0.00 -1.16 0.00 0.00 32.46 29.82 3h83 n ARG 55 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3h83 s THR 56 N -1.44 3.79 -1.45 0.55 2.01 -0.57 -3.72 115.64 114.81 3h83 s THR 56 Ca 0.51 -2.47 -0.14 0.00 0.31 0.00 0.00 61.69 59.90 3h83 s THR 56 Cb 0.30 -3.50 0.05 0.00 0.01 0.00 0.00 72.50 69.35 3h83 s THR 56 CO 0.29 -0.82 2.19 -0.67 -0.69 0.00 0.00 174.62 174.93 3h83 n ASP 57 N 4.08 3.97 -3.62 3.53 2.03 -1.26 -4.84 116.55 120.42 3h83 n ASP 57 Ca 0.03 -2.85 -0.10 0.00 0.52 0.00 0.00 54.79 52.38 3h83 n ASP 57 Cb 0.40 -1.66 -0.04 0.00 -0.72 0.00 0.00 41.12 39.10 3h83 n ASP 57 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3h83 s THR 58 N 3.17 0.04 0.02 5.18 -1.32 -1.26 -4.91 115.64 116.56 3h83 s THR 58 Ca 0.47 -0.53 -0.30 0.00 -1.21 0.00 0.00 61.69 60.12 3h83 s THR 58 Cb 0.13 -1.25 -0.06 0.00 -1.51 0.00 0.00 72.50 69.81 3h83 s THR 58 CO -0.08 -0.20 1.47 -0.31 -2.21 0.00 0.00 174.62 173.29 3h83 s TYR 59 N -3.81 2.75 0.16 9.09 2.02 -1.26 -4.99 117.35 121.30 3h83 s TYR 59 Ca 0.04 0.69 -0.14 0.00 -0.37 0.00 0.00 57.07 57.29 3h83 s TYR 59 Cb 0.01 -3.75 0.02 0.00 -0.40 0.00 0.00 41.96 37.83 3h83 s TYR 59 CO -0.10 -2.84 0.38 -0.48 -1.57 0.00 0.00 175.55 170.95 3h83 s LEU 60 N 2.41 0.57 -0.06 -1.29 0.05 -1.26 -4.06 118.68 115.03 3h83 s LEU 60 Ca 0.67 -0.57 0.04 0.00 0.05 0.00 0.00 54.13 54.31 3h83 s LEU 60 Cb -0.34 1.67 -0.02 0.00 -2.05 0.00 0.00 46.19 45.44 3h83 s LEU 60 CO 0.28 -0.92 -0.16 -0.70 -0.55 0.00 0.00 176.35 174.30 3h83 s GLU 61 N -3.88 2.62 -0.00 1.48 2.12 -0.77 -4.99 118.70 115.28 3h83 s GLU 61 Ca 0.09 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.69 3h83 s GLU 61 Cb 0.02 -2.37 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 3h83 s GLU 61 CO -0.05 0.52 0.07 -1.64 -0.54 0.00 0.00 175.26 173.62 3h83 s MET 62 N -0.48 3.01 0.25 4.30 -1.94 -1.26 -0.10 119.30 123.08 3h83 s MET 62 Ca 0.06 -0.52 -0.16 0.00 -1.71 0.00 0.00 55.69 53.37 3h83 s MET 62 Cb -0.12 -2.82 0.01 0.00 2.01 0.00 0.00 34.83 33.91 3h83 s MET 62 CO 0.02 0.64 0.55 0.34 -0.01 0.00 0.00 175.02 176.56 3h83 s ASP 63 N -1.73 -0.15 0.01 3.03 -1.08 -0.01 -4.91 116.67 111.82 3h83 s ASP 63 Ca 0.23 -0.80 -0.05 0.00 -0.52 0.00 0.00 52.55 51.41 3h83 s ASP 63 Cb -0.12 0.63 -0.01 0.00 -1.46 0.00 0.00 42.92 41.96 3h83 s ASP 63 CO 0.14 -1.19 0.08 -0.36 0.52 0.00 0.00 175.17 174.36 3h83 s PHE 64 N -3.98 0.11 0.13 -5.34 0.08 -1.26 -2.05 117.98 105.67 3h83 s PHE 64 Ca 0.18 -0.25 0.08 0.00 0.12 0.00 0.00 56.93 57.05 3h83 s PHE 64 Cb -0.02 -0.09 -0.04 0.00 -0.57 0.00 0.00 43.02 42.30 3h83 s PHE 64 CO 0.07 -0.25 -0.18 -1.64 -0.10 0.00 0.00 175.22 173.12 3h83 s MET 65 N -1.38 1.13 -0.01 0.44 -1.94 -0.80 -4.31 119.30 112.42 3h83 s MET 65 Ca -0.15 -1.26 0.04 0.00 -1.71 0.00 0.00 55.69 52.62 3h83 s MET 65 Cb -0.08 -1.21 -0.01 0.00 2.01 0.00 0.00 34.83 35.54 3h83 s MET 65 CO 0.01 0.26 -0.15 0.00 -0.01 0.00 0.00 175.02 175.13 3h83 s ALA 66 N -1.74 1.22 0.11 3.03 0.00 -0.90 -1.51 121.76 121.96 3h83 s ALA 66 Ca 0.10 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.44 3h83 s ALA 66 Cb -0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 3h83 s ALA 66 CO 0.05 0.29 -0.02 0.14 0.00 0.00 0.00 175.76 176.22 3h83 s VAL 67 N -0.31 0.46 0.08 0.00 -7.23 -1.26 -0.79 120.40 111.34 3h83 s VAL 67 Ca 0.05 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.32 3h83 s VAL 67 Cb -0.06 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 3h83 s VAL 67 CO -0.00 -0.74 -0.05 -0.94 -0.31 0.00 0.00 175.10 173.05 3h83 s SER 68 N -3.04 0.89 0.40 4.85 1.04 -0.16 -4.87 113.70 112.80 3h83 s SER 68 Ca 0.16 -0.96 -0.25 0.00 0.48 0.00 0.00 55.95 55.38 3h83 s SER 68 Cb 0.07 0.12 -0.09 0.00 0.10 0.00 0.00 66.02 66.22 3h83 s SER 68 CO -0.03 -0.48 1.12 -0.55 0.98 0.00 0.00 173.24 174.28 3h83 s SER 69 N -2.85 6.60 0.00 7.02 0.15 -1.26 -1.00 113.70 122.36 3h83 s SER 69 Ca 0.08 2.22 0.24 0.00 0.70 0.00 0.00 55.95 59.20 3h83 s SER 69 Cb 0.05 -2.60 0.30 0.00 -1.71 0.00 0.00 66.02 62.06 3h83 s SER 69 CO -0.06 -0.61 1.32 -1.22 1.20 0.00 0.00 173.24 173.87 3h83 n TYR 70 N 0.01 0.00 0.00 3.44 4.01 -1.26 -4.79 117.16 118.57 3h83 n TYR 70 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 3h83 n TYR 70 Cb 0.48 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 3h83 n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h83 n GLY 71 N 1.33 1.00 0.19 2.72 0.00 -1.26 -4.58 105.19 104.58 3h83 n GLY 71 Ca 0.14 -1.17 -0.04 0.00 0.00 0.00 0.00 46.02 44.96 3h83 n GLY 71 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3h83 h HIS 72 N 0.00 0.25 0.00 1.61 -0.00 -1.98 -1.42 115.15 113.61 3h83 h HIS 72 Ca 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 3h83 h HIS 72 Cb 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 27.37 3h83 h HIS 72 CO 0.00 0.07 -0.01 0.77 -0.00 0.00 0.00 177.93 178.76 3h83 h SER 73 N 0.31 0.00 -0.10 3.26 0.02 -1.89 -0.97 113.55 114.18 3h83 h SER 73 Ca 0.23 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 3h83 h SER 73 Cb 0.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 3h83 h SER 73 CO -0.25 0.01 -0.02 0.74 -1.14 0.00 0.00 176.83 176.17 3h83 h THR 74 N 0.00 1.28 0.00 -2.27 2.02 -1.27 0.31 112.91 112.98 3h83 h THR 74 Ca -0.00 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.24 3h83 h THR 74 Cb 0.02 1.70 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 3h83 h THR 74 CO 0.00 0.26 -0.09 -0.37 0.37 0.00 0.00 175.52 175.69 3h83 h VAL 75 N -0.13 0.35 0.00 3.16 -1.51 -1.15 -1.54 116.25 115.43 3h83 h VAL 75 Ca 0.03 -0.53 -0.24 0.00 -1.23 0.00 0.00 66.70 64.72 3h83 h VAL 75 Cb 0.42 1.39 -0.04 0.00 -2.13 0.00 0.00 31.29 30.93 3h83 h VAL 75 CO 0.01 0.09 -1.91 -1.54 -1.23 0.00 0.00 177.57 172.99 3h83 n SER 76 N -3.39 2.08 -0.00 4.19 3.41 -0.42 -4.74 113.62 114.76 3h83 n SER 76 Ca -0.01 -0.03 0.01 0.00 -0.26 0.00 0.00 58.87 58.58 3h83 n SER 76 Cb 0.26 0.48 -0.01 0.00 -0.26 0.00 0.00 64.21 64.67 3h83 n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h83 n THR 77 N -2.64 0.00 -0.14 6.66 -2.24 0.11 -5.00 114.28 111.03 3h83 n THR 77 Ca -0.24 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3h83 n THR 77 Cb 0.89 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 70.01 3h83 n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h83 n GLY 78 N 1.32 1.71 3.68 3.38 0.00 -0.58 -4.61 105.19 110.09 3h83 n GLY 78 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 3h83 n GLY 78 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3h83 n GLU 79 N -2.00 2.33 -4.18 1.61 2.13 -1.22 -4.23 120.64 115.08 3h83 n GLU 79 Ca 0.00 0.84 -0.13 0.00 0.66 0.00 0.00 57.16 58.54 3h83 n GLU 79 Cb 0.00 -2.65 -0.10 0.00 0.27 0.00 0.00 31.44 28.96 3h83 n GLU 79 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3h83 s VAL 80 N 1.58 0.83 -0.05 6.31 -7.23 -1.26 -3.37 120.40 117.21 3h83 s VAL 80 Ca 0.80 -1.79 -0.29 0.00 -1.81 0.00 0.00 61.98 58.89 3h83 s VAL 80 Cb -0.63 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.77 3h83 s VAL 80 CO 0.39 -0.72 0.97 -0.75 -0.31 0.00 0.00 175.10 174.68 3h83 s LYS 81 N -3.31 4.49 -0.33 4.82 2.20 -0.17 -4.89 119.74 122.54 3h83 s LYS 81 Ca 0.09 1.37 -0.27 0.00 -0.36 0.00 0.00 55.97 56.80 3h83 s LYS 81 Cb 0.01 -3.50 0.01 0.00 -1.51 0.00 0.00 37.83 32.85 3h83 s LYS 81 CO -0.02 -0.16 0.96 0.42 -0.36 0.00 0.00 175.35 176.19 3h83 s ILE 82 N 1.45 4.60 -0.14 5.43 1.01 -1.26 -0.99 121.20 131.30 3h83 s ILE 82 Ca 0.49 1.43 0.17 0.00 0.00 0.00 0.00 60.65 62.74 3h83 s ILE 82 Cb -0.20 -4.33 -0.24 0.00 0.01 0.00 0.00 42.46 37.71 3h83 s ILE 82 CO 0.23 -0.45 0.32 0.18 0.00 0.00 0.00 174.94 175.22 3h83 n LEU 83 N 6.69 0.28 -3.55 2.97 4.77 0.03 -4.85 117.00 123.34 3h83 n LEU 83 Ca 0.08 0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 56.04 3h83 n LEU 83 Cb 0.48 0.34 -0.13 0.00 -2.33 0.00 0.00 43.42 41.78 3h83 n LEU 83 CO 0.57 0.39 -0.17 -0.75 -1.33 0.00 0.00 177.39 176.10 3h83 s LYS 84 N -2.65 0.18 0.62 3.23 2.47 -0.87 -4.91 119.74 117.80 3h83 s LYS 84 Ca -0.08 0.43 -0.02 0.00 -1.56 0.00 0.00 55.97 54.75 3h83 s LYS 84 Cb 0.07 -0.71 0.06 0.00 -1.46 0.00 0.00 37.83 35.79 3h83 s LYS 84 CO 0.83 -0.51 0.88 0.34 0.16 0.00 0.00 175.35 177.05 3h83 s ASP 85 N 2.37 4.99 0.61 1.43 -1.08 -1.26 -2.12 116.67 121.61 3h83 s ASP 85 Ca 0.05 0.09 -0.19 0.00 -0.52 0.00 0.00 52.55 51.98 3h83 s ASP 85 Cb -0.14 -0.83 -0.03 0.00 -1.46 0.00 0.00 42.92 40.46 3h83 s ASP 85 CO -0.11 -1.39 1.26 -0.76 0.52 0.00 0.00 175.17 174.70 3h83 s LEU 86 N -4.97 3.65 0.39 -1.34 1.43 -1.26 -4.84 118.68 111.74 3h83 s LEU 86 Ca 0.59 2.54 0.27 0.00 -1.03 0.00 0.00 54.13 56.50 3h83 s LEU 86 Cb -0.10 -4.56 0.79 0.00 0.03 0.00 0.00 46.19 42.35 3h83 s LEU 86 CO 0.41 -1.76 1.76 0.44 0.23 0.00 0.00 176.35 177.42 3h83 h ASP 87 N 0.83 0.00 -4.65 2.29 3.32 -1.97 -3.45 116.42 112.79 3h83 h ASP 87 Ca -0.51 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.29 3h83 h ASP 87 Cb 1.32 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.72 3h83 h ASP 87 CO 0.55 0.00 -0.67 0.28 -1.72 0.00 0.00 179.24 177.67 3h83 s THR 88 N -3.32 0.61 0.56 0.35 -1.32 -1.26 -5.14 115.64 106.12 3h83 s THR 88 Ca 0.06 -1.96 -0.17 0.00 -1.21 0.00 0.00 61.69 58.41 3h83 s THR 88 Cb 0.08 -1.96 -0.05 0.00 -1.51 0.00 0.00 72.50 69.06 3h83 s THR 88 CO 0.59 -0.61 1.06 -0.94 -2.21 0.00 0.00 174.62 172.51 3h83 s SER 89 N -3.11 5.91 0.02 8.08 1.04 -1.26 -4.98 113.70 119.40 3h83 s SER 89 Ca 0.20 1.87 0.16 0.00 0.48 0.00 0.00 55.95 58.66 3h83 s SER 89 Cb 0.06 -2.54 -0.17 0.00 0.10 0.00 0.00 66.02 63.47 3h83 s SER 89 CO 0.01 -1.08 0.75 0.52 0.98 0.00 0.00 173.24 174.42 3h83 n VAL 90 N -1.72 1.31 -1.66 5.02 0.31 -1.26 -4.86 118.33 115.47 3h83 n VAL 90 Ca 0.09 -0.73 -0.48 0.00 -0.01 0.00 0.00 64.34 63.22 3h83 n VAL 90 Cb 0.53 -0.81 -0.05 0.00 -0.91 0.00 0.00 33.84 32.60 3h83 n VAL 90 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3h83 n GLU 91 N -2.92 1.92 -0.90 5.55 2.13 -1.15 -1.40 120.64 123.87 3h83 n GLU 91 Ca -0.12 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.39 3h83 n GLU 91 Cb 0.91 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 30.18 3h83 n GLU 91 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h83 n GLY 92 N 3.35 1.08 3.91 8.31 0.00 0.77 -4.90 105.19 117.71 3h83 n GLY 92 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3h83 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h83 s ARG 93 N -0.05 3.58 -0.23 1.61 1.81 -0.49 -4.32 118.95 120.86 3h83 s ARG 93 Ca 0.00 -0.17 -0.23 0.00 -1.72 0.00 0.00 55.73 53.61 3h83 s ARG 93 Cb 0.00 -2.82 -0.01 0.00 -0.45 0.00 0.00 34.95 31.67 3h83 s ARG 93 CO 0.00 0.41 0.75 -0.51 -0.68 0.00 0.00 175.30 175.27 3h83 s ASP 94 N -2.80 6.76 -0.14 0.23 1.01 -1.26 0.11 116.67 120.58 3h83 s ASP 94 Ca 0.40 0.94 -0.05 0.00 0.71 0.00 0.00 52.55 54.56 3h83 s ASP 94 Cb -0.12 -2.40 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 3h83 s ASP 94 CO 0.27 -0.43 0.05 -0.63 0.21 0.00 0.00 175.17 174.63 3h83 s ILE 95 N 2.55 4.67 -0.24 0.77 -1.09 0.29 -1.15 121.20 127.00 3h83 s ILE 95 Ca 0.32 -0.09 0.02 0.00 -2.23 0.00 0.00 60.65 58.67 3h83 s ILE 95 Cb -0.16 -3.04 0.05 0.00 -1.58 0.00 0.00 42.46 37.74 3h83 s ILE 95 CO 0.09 0.54 -0.12 -0.22 -1.23 0.00 0.00 174.94 174.00 3h83 s LEU 96 N -0.30 3.13 -0.11 2.97 2.96 -0.28 -1.21 118.68 125.83 3h83 s LEU 96 Ca 0.08 -1.25 -0.23 0.00 -0.22 0.00 0.00 54.13 52.52 3h83 s LEU 96 Cb -0.12 -1.50 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 3h83 s LEU 96 CO 0.02 -0.16 0.69 -0.63 -1.32 0.00 0.00 176.35 174.94 3h83 s ILE 97 N 1.17 5.03 -0.22 6.68 1.01 0.45 -0.82 121.20 134.50 3h83 s ILE 97 Ca -0.06 1.38 -0.07 0.00 0.00 0.00 0.00 60.65 61.89 3h83 s ILE 97 Cb -0.19 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 3h83 s ILE 97 CO -0.06 0.19 0.05 -0.69 0.00 0.00 0.00 174.94 174.43 3h83 s VAL 98 N 1.23 4.41 0.13 2.92 1.01 0.50 -0.96 120.40 129.63 3h83 s VAL 98 Ca 0.35 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.23 3h83 s VAL 98 Cb -0.17 -3.02 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3h83 s VAL 98 CO 0.15 0.39 -0.12 -0.70 0.00 0.00 0.00 175.10 174.82 3h83 s GLU 99 N 1.08 1.00 -0.11 2.72 2.56 -0.09 -3.99 118.70 121.87 3h83 s GLU 99 Ca 0.04 -1.29 -0.11 0.00 0.00 0.00 0.00 54.97 53.61 3h83 s GLU 99 Cb -0.14 -0.75 -0.27 0.00 2.00 0.00 0.00 34.13 34.97 3h83 s GLU 99 CO 0.03 0.13 0.45 0.38 -0.56 0.00 0.00 175.26 175.69 3h83 h ASP 100 N 3.31 0.41 -4.01 -1.70 2.03 -1.87 -2.03 116.42 112.56 3h83 h ASP 100 Ca -0.38 -0.89 -0.11 0.00 -0.73 0.00 0.00 57.03 54.91 3h83 h ASP 100 Cb 1.19 -0.13 -0.23 0.00 -0.83 0.00 0.00 39.33 39.33 3h83 h ASP 100 CO 0.55 1.76 -0.20 -0.51 -1.03 0.00 0.00 179.24 179.81 3h83 s ILE 101 N -2.53 0.00 -0.14 4.15 2.07 -1.26 -0.62 121.20 122.88 3h83 s ILE 101 Ca -0.21 -0.04 0.01 0.00 -1.41 0.00 0.00 60.65 59.00 3h83 s ILE 101 Cb 0.06 -0.62 0.00 0.00 0.13 0.00 0.00 42.46 42.03 3h83 s ILE 101 CO 0.77 -0.02 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.97 3h83 s ILE 102 N 0.06 2.48 0.00 2.00 1.01 -0.92 -5.00 121.20 120.84 3h83 s ILE 102 Ca -0.01 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.80 3h83 s ILE 102 Cb -0.03 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.41 3h83 s ILE 102 CO 0.01 0.53 0.00 -0.67 0.00 0.00 0.00 174.94 174.81 3h83 n ASP 103 N 3.98 0.00 -0.09 3.58 -0.08 -1.26 -0.91 116.55 121.76 3h83 n ASP 103 Ca -0.19 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.02 3h83 n ASP 103 Cb 0.52 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.09 3h83 n ASP 103 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3h83 h SER 104 N 0.00 0.77 0.00 1.67 4.64 -1.86 -2.65 113.55 116.12 3h83 h SER 104 Ca 0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3h83 h SER 104 Cb 0.00 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 3h83 h SER 104 CO 0.00 0.93 0.00 0.61 -0.87 0.00 0.00 176.83 177.50 3h83 n GLY 105 N -0.38 0.76 0.09 -0.77 0.00 -1.26 -1.02 105.19 102.61 3h83 n GLY 105 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3h83 n GLY 105 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h83 h LEU 106 N 0.00 -0.11 -0.43 0.99 3.38 -1.92 -0.42 115.31 116.79 3h83 h LEU 106 Ca 0.00 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 3h83 h LEU 106 Cb 0.00 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3h83 h LEU 106 CO 0.00 0.23 0.08 0.74 0.09 0.00 0.00 178.44 179.58 3h83 h THR 107 N -0.46 1.24 -0.75 0.22 2.02 -1.85 -1.35 112.91 111.98 3h83 h THR 107 Ca -0.01 -0.87 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 3h83 h THR 107 Cb 0.38 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 3h83 h THR 107 CO 0.02 0.30 0.38 0.25 0.37 0.00 0.00 175.52 176.84 3h83 h LEU 108 N 0.57 0.96 -0.57 2.58 5.85 -1.88 -0.50 115.31 122.31 3h83 h LEU 108 Ca 0.13 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 3h83 h LEU 108 Cb 0.36 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3h83 h LEU 108 CO 0.01 0.80 -0.17 -1.28 -0.34 0.00 0.00 178.44 177.45 3h83 h SER 109 N 1.06 0.97 -0.81 1.25 0.87 -0.83 -1.03 113.55 115.03 3h83 h SER 109 Ca 0.26 -0.35 0.04 0.00 -1.23 0.00 0.00 61.79 60.51 3h83 h SER 109 Cb 0.08 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 61.72 3h83 h SER 109 CO -0.04 1.12 0.52 0.22 -0.53 0.00 0.00 176.83 178.13 3h83 h TYR 110 N 0.84 0.97 -0.30 2.24 3.20 -0.35 -2.16 116.97 121.42 3h83 h TYR 110 Ca 0.12 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 3h83 h TYR 110 Cb 0.73 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3h83 h TYR 110 CO 0.05 0.55 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.92 3h83 h LEU 111 N 1.00 0.62 -0.29 2.82 3.38 -0.82 -0.94 115.31 121.08 3h83 h LEU 111 Ca 0.33 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3h83 h LEU 111 Cb 0.03 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3h83 h LEU 111 CO -0.12 0.88 0.10 0.58 0.09 0.00 0.00 178.44 179.97 3h83 h VAL 112 N 0.36 0.91 0.00 1.22 2.07 -1.08 -1.02 116.25 118.71 3h83 h VAL 112 Ca 0.07 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 3h83 h VAL 112 Cb 0.64 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3h83 h VAL 112 CO 0.04 0.04 -0.16 0.44 0.02 0.00 0.00 177.57 177.95 3h83 h ASP 113 N 0.22 0.00 -0.37 0.57 3.32 -1.35 -1.68 116.42 117.13 3h83 h ASP 113 Ca 0.13 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 3h83 h ASP 113 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3h83 h ASP 113 CO -0.14 0.16 -0.10 0.25 -1.72 0.00 0.00 179.24 177.69 3h83 h LEU 114 N 0.00 0.73 -1.06 1.55 5.85 -0.60 0.36 115.31 122.14 3h83 h LEU 114 Ca -0.00 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.27 3h83 h LEU 114 Cb 0.92 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3h83 h LEU 114 CO 0.02 0.93 -0.19 -0.26 -0.34 0.00 0.00 178.44 178.60 3h83 h PHE 115 N 0.52 0.48 -0.50 1.25 0.04 -0.62 0.11 116.94 118.21 3h83 h PHE 115 Ca 0.09 -0.08 -0.13 0.00 2.80 0.00 0.00 57.97 60.65 3h83 h PHE 115 Cb 0.61 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 3h83 h PHE 115 CO 0.05 0.61 -0.19 0.87 -0.60 0.00 0.00 178.31 179.04 3h83 h LYS 116 N 0.40 1.02 -0.93 1.51 1.57 -1.23 -1.15 116.57 117.76 3h83 h LYS 116 Ca 0.07 -0.42 0.01 0.00 -1.87 0.00 0.00 60.65 58.43 3h83 h LYS 116 Cb 0.57 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 3h83 h LYS 116 CO 0.04 1.11 0.61 -0.92 -0.57 0.00 0.00 179.45 179.72 3h83 h TYR 117 N 0.88 1.16 0.00 -1.35 3.20 -0.32 -0.64 116.97 119.91 3h83 h TYR 117 Ca 0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3h83 h TYR 117 Cb 0.78 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.65 3h83 h TYR 117 CO 0.05 0.73 0.00 0.54 -1.64 0.00 0.00 178.16 177.84 3h83 n ARG 118 N -4.44 0.69 -2.86 1.82 1.74 0.33 -4.86 116.66 109.08 3h83 n ARG 118 Ca 0.10 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.06 3h83 n ARG 118 Cb 0.01 -1.06 0.03 0.00 -1.02 0.00 0.00 32.46 30.42 3h83 n ARG 118 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3h83 n LYS 119 N -0.56 -3.41 -1.71 5.56 5.02 -0.25 -2.93 118.16 119.88 3h83 n LYS 119 Ca 0.02 0.47 -0.39 0.00 -2.02 0.00 0.00 58.31 56.39 3h83 n LYS 119 Cb 0.01 -4.40 0.04 0.00 -0.02 0.00 0.00 35.03 30.66 3h83 n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h83 n ALA 120 N -3.25 1.24 -0.14 7.82 0.00 -0.47 -0.16 120.51 125.55 3h83 n ALA 120 Ca -0.03 0.11 -0.11 0.00 0.00 0.00 0.00 53.44 53.41 3h83 n ALA 120 Cb 0.55 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.69 3h83 n ALA 120 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3h83 h LYS 121 N 1.22 0.72 -3.08 0.00 3.64 0.54 -3.43 116.57 116.18 3h83 h LYS 121 Ca -0.50 -0.25 -0.05 0.00 -1.27 0.00 0.00 60.65 58.58 3h83 h LYS 121 Cb 1.32 -0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 32.94 3h83 h LYS 121 CO 0.56 0.83 0.01 -1.54 -2.27 0.00 0.00 179.45 177.04 3h83 s SER 122 N -6.26 -0.37 -0.08 4.20 1.04 -1.19 -4.97 113.70 106.08 3h83 s SER 122 Ca -0.13 -0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.23 3h83 s SER 122 Cb 0.10 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.74 3h83 s SER 122 CO 0.80 -0.81 -0.02 -0.69 0.98 0.00 0.00 173.24 173.50 3h83 s VAL 123 N -3.21 0.54 0.20 5.02 1.01 -1.26 -0.55 120.40 122.15 3h83 s VAL 123 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3h83 s VAL 123 Cb 0.00 -0.65 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 3h83 s VAL 123 CO -0.08 0.28 -0.16 -0.54 0.00 0.00 0.00 175.10 174.60 3h83 s LYS 124 N 1.78 1.35 -0.05 2.72 1.02 -0.35 -5.00 119.74 121.21 3h83 s LYS 124 Ca 0.03 -1.55 0.04 0.00 0.02 0.00 0.00 55.97 54.51 3h83 s LYS 124 Cb -0.13 -1.27 -0.00 0.00 -0.52 0.00 0.00 37.83 35.92 3h83 s LYS 124 CO -0.05 0.23 -0.17 0.42 -0.92 0.00 0.00 175.35 174.86 3h83 s ILE 125 N -2.60 1.43 -0.12 2.17 1.01 -1.26 -0.41 121.20 121.42 3h83 s ILE 125 Ca 0.21 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3h83 s ILE 125 Cb -0.03 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 41.22 3h83 s ILE 125 CO 0.08 0.41 -0.17 0.54 0.00 0.00 0.00 174.94 175.80 3h83 s VAL 126 N 0.14 1.66 0.02 2.92 0.11 -0.14 -0.69 120.40 124.43 3h83 s VAL 126 Ca -0.06 -0.74 0.07 0.00 -2.93 0.00 0.00 61.98 58.32 3h83 s VAL 126 Cb -0.12 -1.50 -0.02 0.00 -1.53 0.00 0.00 36.38 33.20 3h83 s VAL 126 CO 0.03 0.47 -0.21 0.28 -3.33 0.00 0.00 175.10 172.34 3h83 s THR 127 N 0.94 1.71 0.01 5.04 -1.32 0.17 -0.91 115.64 121.28 3h83 s THR 127 Ca -0.07 -1.11 -0.25 0.00 -1.21 0.00 0.00 61.69 59.05 3h83 s THR 127 Cb -0.15 -1.46 -0.18 0.00 -1.51 0.00 0.00 72.50 69.20 3h83 s THR 127 CO -0.02 0.32 1.31 0.25 -2.21 0.00 0.00 174.62 174.26 3h83 h LEU 128 N 5.13 -0.19 -9.05 9.08 5.85 -1.37 -1.20 115.31 123.55 3h83 h LEU 128 Ca -0.42 -0.25 -0.68 0.00 0.84 0.00 0.00 57.88 57.37 3h83 h LEU 128 Cb 1.15 0.05 -0.20 0.00 0.37 0.00 0.00 40.66 42.03 3h83 h LEU 128 CO 0.45 0.17 -0.78 -0.76 -0.34 0.00 0.00 178.44 177.19 3h83 s LEU 129 N -9.50 2.78 -0.01 2.25 1.43 0.21 -0.15 118.68 115.69 3h83 s LEU 129 Ca -0.15 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3h83 s LEU 129 Cb 0.02 -1.62 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 3h83 s LEU 129 CO 0.60 0.25 -0.09 -0.62 0.23 0.00 0.00 176.35 176.72 3h83 s ASP 130 N -1.55 1.12 -0.55 2.29 2.15 -0.10 -2.16 116.67 117.87 3h83 s ASP 130 Ca 0.16 -0.17 0.04 0.00 0.43 0.00 0.00 52.55 53.01 3h83 s ASP 130 Cb -0.11 -0.20 0.17 0.00 -0.30 0.00 0.00 42.92 42.48 3h83 s ASP 130 CO 0.07 0.09 0.40 -0.75 -0.17 0.00 0.00 175.17 174.81 3h83 s LYS 131 N -0.04 1.68 0.57 4.34 2.20 -0.08 -1.06 119.74 127.35 3h83 s LYS 131 Ca 0.01 -2.67 0.35 0.00 -0.36 0.00 0.00 55.97 53.30 3h83 s LYS 131 Cb -0.06 -2.46 1.67 0.00 -1.51 0.00 0.00 37.83 35.48 3h83 s LYS 131 CO -0.00 -1.31 2.11 -1.00 -0.36 0.00 0.00 175.35 174.79 3h83 h PRO 132 N 5.66 0.00 0.00 4.03 0.13 -1.83 -1.40 132.00 138.59 3h83 h PRO 132 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3h83 h PRO 132 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3h83 h PRO 132 CO 0.55 0.04 0.00 1.79 -0.23 0.00 0.00 178.00 180.14 3h83 h THR 133 N 0.00 0.00 -0.01 1.56 1.35 -1.90 -2.71 112.91 111.20 3h83 h THR 133 Ca -0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3h83 h THR 133 Cb 0.34 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3h83 h THR 133 CO 0.01 0.00 -0.25 0.61 -0.25 0.00 0.00 175.52 175.64 3h83 n GLY 134 N 0.24 -0.48 3.75 5.82 0.00 -0.53 -4.99 105.19 109.00 3h83 n GLY 134 Ca 0.02 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3h83 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h83 n ARG 135 N -0.50 2.55 -0.06 1.61 5.12 -1.00 -3.65 116.66 120.73 3h83 n ARG 135 Ca 0.13 0.90 0.02 0.00 -1.93 0.00 0.00 57.85 56.96 3h83 n ARG 135 Cb 0.36 -2.61 0.05 0.00 -1.16 0.00 0.00 32.46 29.10 3h83 n ARG 135 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3h83 n LYS 136 N 1.03 2.95 -3.59 5.56 5.02 -0.19 -4.95 118.16 123.99 3h83 n LYS 136 Ca 0.04 -1.70 -0.16 0.00 -2.02 0.00 0.00 58.31 54.48 3h83 n LYS 136 Cb 0.37 -1.10 -0.06 0.00 -0.02 0.00 0.00 35.03 34.22 3h83 n LYS 136 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h83 s VAL 137 N -1.00 0.02 -0.60 -0.18 0.11 -1.22 -4.97 120.40 112.56 3h83 s VAL 137 Ca 0.08 -0.19 -0.28 0.00 -2.93 0.00 0.00 61.98 58.67 3h83 s VAL 137 Cb 0.04 -0.90 0.02 0.00 -1.53 0.00 0.00 36.38 34.01 3h83 s VAL 137 CO 0.06 -0.10 1.32 -1.81 -3.33 0.00 0.00 175.10 171.23 3h83 s ASP 138 N -1.48 6.23 -0.18 3.54 1.01 -1.26 -4.92 116.67 119.61 3h83 s ASP 138 Ca -0.10 0.08 -0.04 0.00 0.71 0.00 0.00 52.55 53.21 3h83 s ASP 138 Cb -0.01 -2.55 0.09 0.00 1.01 0.00 0.00 42.92 41.45 3h83 s ASP 138 CO 0.05 -1.67 0.23 -0.22 0.21 0.00 0.00 175.17 173.77 3h83 s LEU 139 N 5.68 -0.16 -0.15 1.23 2.96 -1.26 -5.11 118.68 121.86 3h83 s LEU 139 Ca 0.46 -0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 54.30 3h83 s LEU 139 Cb -0.09 0.46 -0.03 0.00 0.50 0.00 0.00 46.19 47.02 3h83 s LEU 139 CO 0.23 -0.30 0.01 -0.54 -1.32 0.00 0.00 176.35 174.43 3h83 s LYS 140 N 2.35 3.68 0.50 1.98 1.02 -1.26 -5.06 119.74 122.95 3h83 s LYS 140 Ca 0.06 -0.42 -0.21 0.00 0.02 0.00 0.00 55.97 55.42 3h83 s LYS 140 Cb -0.15 -3.03 -0.07 0.00 -0.52 0.00 0.00 37.83 34.07 3h83 s LYS 140 CO -0.11 0.35 1.15 0.00 -0.92 0.00 0.00 175.35 175.82 3h83 s ALA 141 N 0.12 2.84 0.09 5.17 0.00 -1.26 -4.88 121.76 123.83 3h83 s ALA 141 Ca 0.02 0.89 0.08 0.00 0.00 0.00 0.00 51.96 52.95 3h83 s ALA 141 Cb -0.13 -3.38 -0.21 0.00 0.00 0.00 0.00 23.12 19.40 3h83 s ALA 141 CO 0.02 -0.73 1.17 -0.44 0.00 0.00 0.00 175.76 175.78 3h83 h ASP 142 N 1.63 0.00 -3.52 0.00 3.32 -1.29 -3.46 116.42 113.10 3h83 h ASP 142 Ca -0.50 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.22 3h83 h ASP 142 Cb 1.26 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.47 3h83 h ASP 142 CO 0.59 1.00 -0.74 -0.31 -1.72 0.00 0.00 179.24 178.05 3h83 s TYR 143 N -2.69 0.25 -0.03 4.55 2.02 -0.47 -5.01 117.35 115.97 3h83 s TYR 143 Ca -0.00 0.02 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 3h83 s TYR 143 Cb 0.10 -0.35 0.01 0.00 -0.40 0.00 0.00 41.96 41.31 3h83 s TYR 143 CO 0.82 -0.11 -0.06 0.08 -1.57 0.00 0.00 175.55 174.71 3h83 s VAL 144 N 0.94 0.59 -0.05 0.71 1.01 -1.26 -0.66 120.40 121.69 3h83 s VAL 144 Ca -0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.61 3h83 s VAL 144 Cb -0.13 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 3h83 s VAL 144 CO -0.02 0.20 0.23 1.23 0.00 0.00 0.00 175.10 176.74 3h83 h GLY 145 N 6.55 -0.16 -5.27 4.51 0.00 -0.63 -3.49 103.07 104.59 3h83 h GLY 145 Ca -0.34 0.06 -0.19 0.00 0.00 0.00 0.00 47.33 46.86 3h83 h GLY 145 CO 0.49 -0.06 -0.61 -1.36 0.00 0.00 0.00 176.54 175.00 3h83 s PHE 146 N -1.96 -0.01 -0.22 5.60 0.08 0.79 -5.01 117.98 117.25 3h83 s PHE 146 Ca -0.02 0.03 -0.10 0.00 0.12 0.00 0.00 56.93 56.96 3h83 s PHE 146 Cb 0.00 -0.02 -0.05 0.00 -0.57 0.00 0.00 43.02 42.38 3h83 s PHE 146 CO 0.07 -0.11 0.14 0.99 -0.10 0.00 0.00 175.22 176.20 3h83 s THR 147 N -0.46 5.35 -0.11 0.64 2.01 -1.26 -0.93 115.64 120.88 3h83 s THR 147 Ca -0.05 0.17 0.03 0.00 0.31 0.00 0.00 61.69 62.15 3h83 s THR 147 Cb -0.03 -3.47 -0.00 0.00 0.01 0.00 0.00 72.50 69.01 3h83 s THR 147 CO 0.00 0.40 -0.22 0.54 -0.69 0.00 0.00 174.62 174.65 3h83 s VAL 148 N 0.69 2.26 0.24 3.82 0.11 -0.23 -4.94 120.40 122.36 3h83 s VAL 148 Ca 0.08 -0.94 -0.06 0.00 -2.93 0.00 0.00 61.98 58.12 3h83 s VAL 148 Cb -0.12 -1.89 0.24 0.00 -1.53 0.00 0.00 36.38 33.08 3h83 s VAL 148 CO 0.01 0.55 1.90 -0.65 -3.33 0.00 0.00 175.10 173.59 3h83 h PRO 149 N 6.75 1.19 -5.00 1.54 0.10 -1.98 -3.39 132.00 131.21 3h83 h PRO 149 Ca -0.21 -0.07 -0.53 0.00 0.10 0.00 0.00 66.00 65.29 3h83 h PRO 149 Cb 1.23 -0.27 -0.13 0.00 0.10 0.00 0.00 31.00 31.93 3h83 h PRO 149 CO 0.49 0.79 -0.51 -3.38 0.10 0.00 0.00 178.00 175.48 3h83 s HIS 150 N -6.10 1.76 -1.14 0.65 -3.43 -1.26 -4.89 115.29 100.88 3h83 s HIS 150 Ca -0.13 -1.36 0.11 0.00 -0.80 0.00 0.00 55.06 52.88 3h83 s HIS 150 Cb 0.18 -1.04 0.03 0.00 -1.43 0.00 0.00 32.58 30.31 3h83 s HIS 150 CO 0.81 -0.43 0.73 -0.85 -2.00 0.00 0.00 174.74 173.00 3h83 n GLU 151 N -0.82 1.57 -2.50 -0.38 -0.00 -1.26 -4.85 120.64 112.40 3h83 n GLU 151 Ca -0.03 -0.81 -0.40 0.00 -0.00 0.00 0.00 57.16 55.92 3h83 n GLU 151 Cb 0.64 -1.14 -0.01 0.00 -0.00 0.00 0.00 31.44 30.93 3h83 n GLU 151 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 3h83 s PHE 152 N -1.28 2.61 0.02 -1.84 5.99 -1.26 -4.88 117.98 117.34 3h83 s PHE 152 Ca 0.10 -1.19 -0.09 0.00 0.00 0.00 0.00 56.93 55.76 3h83 s PHE 152 Cb 0.09 -4.64 0.00 0.00 0.00 0.00 0.00 43.02 38.48 3h83 s PHE 152 CO 0.23 -1.75 0.17 0.08 -0.00 0.00 0.00 175.22 173.95 3h83 s VAL 153 N 5.36 0.10 0.21 3.12 1.01 -1.26 -4.55 120.40 124.38 3h83 s VAL 153 Ca 0.55 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.75 3h83 s VAL 153 Cb 0.03 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 3h83 s VAL 153 CO 0.06 -0.45 0.01 0.68 0.00 0.00 0.00 175.10 175.40 3h83 s VAL 154 N -2.01 0.86 0.00 2.92 -7.23 0.62 -4.59 120.40 110.97 3h83 s VAL 154 Ca -0.10 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.06 3h83 s VAL 154 Cb -0.04 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.61 3h83 s VAL 154 CO -0.01 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.04 3h83 n GLY 155 N -0.36 2.35 4.03 2.32 0.00 -0.05 -0.64 105.19 112.85 3h83 n GLY 155 Ca -0.05 -1.87 -0.28 0.00 0.00 0.00 0.00 46.02 43.82 3h83 n GLY 155 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3h83 n TYR 156 N 1.64 -1.68 0.00 1.61 9.36 0.31 -1.39 117.16 127.02 3h83 n TYR 156 Ca 0.00 0.76 0.00 0.00 3.32 0.00 0.00 57.90 61.98 3h83 n TYR 156 Cb 0.00 -3.53 0.00 0.00 -0.63 0.00 0.00 39.34 35.18 3h83 n TYR 156 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3h83 n GLY 157 N -1.86 2.05 3.75 2.98 0.00 0.19 -4.52 105.19 107.79 3h83 n GLY 157 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 3h83 n GLY 157 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h83 s LEU 158 N 0.00 4.52 0.33 0.99 1.43 -0.48 -4.34 118.68 121.12 3h83 s LEU 158 Ca 0.00 1.61 0.09 0.00 -1.03 0.00 0.00 54.13 54.80 3h83 s LEU 158 Cb 0.00 -3.34 -0.05 0.00 0.03 0.00 0.00 46.19 42.83 3h83 s LEU 158 CO 0.00 0.07 0.05 1.51 0.23 0.00 0.00 176.35 178.21 3h83 s ASP 159 N -0.46 4.40 -0.12 2.29 -4.77 -1.26 -0.87 116.67 115.88 3h83 s ASP 159 Ca 0.39 -0.86 -0.01 0.00 -3.30 0.00 0.00 52.55 48.77 3h83 s ASP 159 Cb -0.22 -0.64 0.03 0.00 -1.09 0.00 0.00 42.92 40.99 3h83 s ASP 159 CO 0.26 -0.22 -0.05 -0.47 0.70 0.00 0.00 175.17 175.39 3h83 s TYR 160 N -2.46 1.39 -1.57 2.11 5.04 -0.29 -4.82 117.35 116.75 3h83 s TYR 160 Ca 0.35 -0.73 -0.04 0.00 -2.44 0.00 0.00 57.07 54.22 3h83 s TYR 160 Cb -0.02 -1.18 0.04 0.00 0.35 0.00 0.00 41.96 41.15 3h83 s TYR 160 CO 0.20 -0.51 0.20 1.63 -1.34 0.00 0.00 175.55 175.74 3h83 n LYS 161 N 4.96 -1.55 -0.87 4.97 5.02 -1.26 -1.43 118.16 128.00 3h83 n LYS 161 Ca -0.11 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3h83 n LYS 161 Cb 0.49 -4.00 0.00 0.00 -0.02 0.00 0.00 35.03 31.50 3h83 n LYS 161 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3h83 n GLU 162 N -4.48 -0.04 -3.68 1.97 -0.58 -1.26 -5.00 120.64 107.56 3h83 n GLU 162 Ca -0.25 0.01 -0.22 0.00 -0.42 0.00 0.00 57.16 56.28 3h83 n GLU 162 Cb 0.66 -3.10 -0.03 0.00 -0.57 0.00 0.00 31.44 28.39 3h83 n GLU 162 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3h83 s GLN 163 N -0.30 2.44 0.00 3.49 -0.21 -0.52 -4.67 119.66 119.89 3h83 s GLN 163 Ca 0.00 -1.65 0.00 0.00 0.02 0.00 0.00 55.36 53.73 3h83 s GLN 163 Cb 0.00 -2.29 0.00 0.00 1.00 0.00 0.00 33.01 31.72 3h83 s GLN 163 CO 0.00 -0.25 0.00 0.66 -2.12 0.00 0.00 175.29 173.58 3h83 n TYR 164 N -1.54 0.00 0.25 0.91 4.01 -1.26 -1.14 117.16 118.39 3h83 n TYR 164 Ca 0.02 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.86 3h83 n TYR 164 Cb 0.62 -0.16 0.65 0.00 -0.31 0.00 0.00 39.34 40.15 3h83 n TYR 164 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h83 h ARG 165 N 2.28 0.00 -0.00 -0.72 3.08 -1.83 -2.60 114.38 114.60 3h83 h ARG 165 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h83 h ARG 165 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3h83 h ARG 165 CO 0.00 0.11 -0.00 0.27 -1.07 0.00 0.00 179.97 179.28 3h83 n ASN 166 N -4.07 0.04 -4.77 7.04 6.94 -1.26 -0.64 115.26 118.54 3h83 n ASN 166 Ca -0.02 -0.68 -0.41 0.00 -0.02 0.00 0.00 54.58 53.44 3h83 n ASN 166 Cb 0.20 -0.11 -0.01 0.00 -2.36 0.00 0.00 39.78 37.50 3h83 n ASN 166 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3h83 s LEU 167 N -2.22 4.35 -0.01 -4.53 1.43 -0.99 -4.84 118.68 111.87 3h83 s LEU 167 Ca 0.40 2.91 0.05 0.00 -1.03 0.00 0.00 54.13 56.46 3h83 s LEU 167 Cb 0.21 -3.65 0.16 0.00 0.03 0.00 0.00 46.19 42.94 3h83 s LEU 167 CO 0.41 -0.79 1.06 -0.81 0.23 0.00 0.00 176.35 176.45 3h83 n PRO 168 N 1.07 1.51 -4.22 1.29 -0.04 -1.26 -0.53 135.00 132.83 3h83 n PRO 168 Ca 0.03 -0.65 -0.13 0.00 -0.04 0.00 0.00 63.50 62.70 3h83 n PRO 168 Cb 0.40 -1.24 -0.10 0.00 -0.04 0.00 0.00 33.50 32.51 3h83 n PRO 168 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3h83 s TYR 169 N -1.70 1.25 -0.23 0.54 -0.85 -1.26 -4.03 117.35 111.07 3h83 s TYR 169 Ca 0.12 -1.40 -0.07 0.00 -0.52 0.00 0.00 57.07 55.21 3h83 s TYR 169 Cb 0.07 -0.60 -0.03 0.00 0.38 0.00 0.00 41.96 41.78 3h83 s TYR 169 CO 0.07 -0.64 0.05 0.08 -1.52 0.00 0.00 175.55 173.59 3h83 s VAL 170 N -4.06 4.22 0.34 -3.49 1.01 -0.77 -3.16 120.40 114.50 3h83 s VAL 170 Ca 0.39 -0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.21 3h83 s VAL 170 Cb 0.07 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 3h83 s VAL 170 CO 0.14 0.37 0.17 -0.83 0.00 0.00 0.00 175.10 174.95 3h83 s GLY 171 N 1.39 2.29 -0.16 4.51 0.00 0.19 -0.64 107.32 114.90 3h83 s GLY 171 Ca 0.05 -1.67 -0.03 0.00 0.00 0.00 0.00 44.72 43.07 3h83 s GLY 171 CO 0.03 -1.64 -0.05 0.14 0.00 0.00 0.00 173.10 171.58 3h83 s VAL 172 N -3.45 3.75 0.50 1.40 1.01 -0.17 -0.27 120.40 123.17 3h83 s VAL 172 Ca 0.33 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.70 3h83 s VAL 172 Cb 0.04 -2.64 -0.07 0.00 0.00 0.00 0.00 36.38 33.70 3h83 s VAL 172 CO 0.19 0.49 1.11 -0.76 0.00 0.00 0.00 175.10 176.12 3h83 s LEU 173 N 0.49 3.85 0.42 3.92 1.43 -1.26 -0.12 118.68 127.41 3h83 s LEU 173 Ca -0.04 2.13 -0.25 0.00 -1.03 0.00 0.00 54.13 54.94 3h83 s LEU 173 Cb -0.14 -4.49 -0.08 0.00 0.03 0.00 0.00 46.19 41.51 3h83 s LEU 173 CO 0.03 -1.01 1.25 -0.54 0.23 0.00 0.00 176.35 176.31 3h83 s LYS 174 N -3.11 3.89 0.49 1.70 1.02 0.16 -4.49 119.74 119.40 3h83 s LYS 174 Ca 0.69 2.01 0.19 0.00 0.02 0.00 0.00 55.97 58.88 3h83 s LYS 174 Cb -0.23 -2.64 1.22 0.00 -0.52 0.00 0.00 37.83 35.66 3h83 s LYS 174 CO 0.27 -0.51 2.00 -1.35 -0.92 0.00 0.00 175.35 174.84 3h83 h PRO 175 N 2.47 0.18 0.00 -1.68 0.11 -1.90 -1.71 132.00 129.47 3h83 h PRO 175 Ca -0.49 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3h83 h PRO 175 Cb 1.25 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3h83 h PRO 175 CO 0.62 0.12 -0.07 0.66 -0.21 0.00 0.00 178.00 179.11 3h83 h SER 176 N 0.18 0.00 -0.48 -2.05 4.64 -1.91 -0.73 113.55 113.20 3h83 h SER 176 Ca 0.24 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.47 3h83 h SER 176 Cb 0.69 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 3h83 h SER 176 CO -0.04 0.07 -0.03 0.58 -0.87 0.00 0.00 176.83 176.55 3h83 h VAL 177 N 0.00 1.27 -0.33 0.95 2.07 -1.66 -3.24 116.25 115.30 3h83 h VAL 177 Ca -0.00 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3h83 h VAL 177 Cb 0.21 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3h83 h VAL 177 CO 0.01 0.39 0.00 0.00 0.02 0.00 0.00 177.57 177.99 3h83 n TYR 178 N -4.31 0.44 -0.78 1.57 4.11 -1.07 -5.12 117.16 111.99 3h83 n TYR 178 Ca 0.01 -0.40 0.00 0.00 -0.00 0.00 0.00 57.90 57.50 3h83 n TYR 178 Cb 0.33 -0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.65 3h83 n TYR 178 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29