#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 2.91 0.25 0.00 1.00 -1.26 -5.02 119.30 117.18 3h83 s MET 1 Ca 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 55.69 54.92 3h83 s MET 1 Cb 0.00 -2.72 0.39 0.00 0.00 0.00 0.00 34.83 32.50 3h83 s MET 1 CO 0.00 0.54 1.85 0.52 0.00 0.00 0.00 175.02 177.94 3h83 h MET 2 N 3.02 0.98 -0.69 2.03 0.00 -2.05 -2.04 114.93 116.19 3h83 h MET 2 Ca -0.47 -0.06 0.20 0.00 0.00 0.00 0.00 59.70 59.37 3h83 h MET 2 Cb 1.17 -0.22 -0.03 0.00 0.00 0.00 0.00 31.60 32.53 3h83 h MET 2 CO 0.65 0.65 0.53 -2.95 0.00 0.00 0.00 176.91 175.80 3h83 h ASN 3 N 1.01 0.00 0.64 1.22 -1.07 -1.95 0.15 115.58 115.58 3h83 h ASN 3 Ca 0.41 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.74 3h83 h ASN 3 Cb 0.23 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.48 3h83 h ASN 3 CO -0.19 0.00 -0.20 -0.61 0.07 0.00 0.00 177.43 176.49 3h83 h GLN 4 N 0.00 0.00 -0.00 4.14 5.75 -1.78 -2.31 115.11 120.91 3h83 h GLN 4 Ca 0.33 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.83 3h83 h GLN 4 Cb 1.39 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.94 3h83 h GLN 4 CO -0.00 0.20 -0.07 -0.25 -2.65 0.00 0.00 178.83 176.06 3h83 n ASP 5 N -3.54 0.34 -4.56 -0.69 8.00 0.53 -4.81 116.55 111.82 3h83 n ASP 5 Ca -0.01 -0.52 -0.40 0.00 0.71 0.00 0.00 54.79 54.57 3h83 n ASP 5 Cb 0.35 -0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.24 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 -2.45 5.20 0.12 0.53 -1.09 -0.87 -0.43 121.20 122.20 3h83 s ILE 6 Ca 0.30 0.16 -0.13 0.00 -2.23 0.00 0.00 60.65 58.76 3h83 s ILE 6 Cb 0.20 -3.75 -0.07 0.00 -1.58 0.00 0.00 42.46 37.26 3h83 s ILE 6 CO 0.46 0.01 1.43 -0.08 -1.23 0.00 0.00 174.94 175.54 3h83 h GLU 7 N 8.39 0.83 -2.08 2.79 4.81 -0.56 -3.45 114.58 125.31 3h83 h GLU 7 Ca -0.31 -0.47 -0.05 0.00 -0.13 0.00 0.00 59.36 58.40 3h83 h GLU 7 Cb 1.15 0.03 -0.21 0.00 0.63 0.00 0.00 28.75 30.35 3h83 h GLU 7 CO 0.66 1.10 0.09 0.21 -0.73 0.00 0.00 179.01 180.34 3h83 s LYS 8 N -4.30 0.80 -0.30 1.92 2.20 -1.19 -5.02 119.74 113.85 3h83 s LYS 8 Ca -0.11 0.96 -0.24 0.00 -0.36 0.00 0.00 55.97 56.21 3h83 s LYS 8 Cb 0.10 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.81 3h83 s LYS 8 CO 0.86 -0.10 0.81 0.08 -0.36 0.00 0.00 175.35 176.65 3h83 s VAL 9 N 0.38 4.78 -0.07 4.02 1.01 -1.26 -1.18 120.40 128.08 3h83 s VAL 9 Ca -0.00 1.26 -0.08 0.00 0.00 0.00 0.00 61.98 63.15 3h83 s VAL 9 Cb -0.05 -4.16 -0.29 0.00 0.00 0.00 0.00 36.38 31.89 3h83 s VAL 9 CO 0.01 -0.24 0.58 -0.07 0.00 0.00 0.00 175.10 175.37 3h83 h LEU 10 N 9.46 0.52 -7.43 3.92 3.38 -0.92 -3.45 115.31 120.78 3h83 h LEU 10 Ca -0.24 -0.90 -0.44 0.00 0.09 0.00 0.00 57.88 56.39 3h83 h LEU 10 Cb 1.09 -0.17 -0.38 0.00 0.09 0.00 0.00 40.66 41.29 3h83 h LEU 10 CO 0.89 1.77 -0.76 -0.63 0.09 0.00 0.00 178.44 179.80 3h83 s ILE 11 N -2.57 0.34 0.74 1.22 1.01 -0.53 -5.01 121.20 116.40 3h83 s ILE 11 Ca -0.17 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.44 3h83 s ILE 11 Cb 0.06 -0.55 0.04 0.00 0.01 0.00 0.00 42.46 42.01 3h83 s ILE 11 CO 0.83 0.20 1.08 -0.94 0.00 0.00 0.00 174.94 176.10 3h83 s SER 12 N 1.98 5.02 0.22 3.58 1.04 -1.26 -1.14 113.70 123.14 3h83 s SER 12 Ca 0.04 1.38 -0.09 0.00 0.48 0.00 0.00 55.95 57.77 3h83 s SER 12 Cb -0.13 -2.19 0.19 0.00 0.10 0.00 0.00 66.02 63.99 3h83 s SER 12 CO -0.05 -1.64 1.89 -0.08 0.98 0.00 0.00 173.24 174.33 3h83 h GLU 13 N -0.86 1.04 -0.59 4.02 4.81 -1.95 -0.98 114.58 120.07 3h83 h GLU 13 Ca -0.45 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 3h83 h GLU 13 Cb 1.24 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 3h83 h GLU 13 CO 0.59 0.69 0.27 1.49 -0.73 0.00 0.00 179.01 181.32 3h83 h GLU 14 N 1.07 0.86 -0.60 1.92 4.81 -1.92 0.64 114.58 121.36 3h83 h GLU 14 Ca 0.30 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3h83 h GLU 14 Cb -0.09 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.11 3h83 h GLU 14 CO -0.08 0.71 0.37 1.96 -0.73 0.00 0.00 179.01 181.24 3h83 h GLN 15 N 0.81 0.81 0.17 1.92 4.20 -1.84 -1.74 115.11 119.45 3h83 h GLN 15 Ca 0.20 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 3h83 h GLN 15 Cb 0.15 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3h83 h GLN 15 CO -0.02 0.58 -0.08 0.82 -0.67 0.00 0.00 178.83 179.45 3h83 h ILE 16 N 0.81 0.86 -0.84 2.54 2.04 -0.68 -1.90 117.51 120.35 3h83 h ILE 16 Ca 0.22 -0.11 0.12 0.00 1.00 0.00 0.00 64.86 66.08 3h83 h ILE 16 Cb -0.03 0.93 -0.08 0.00 -0.74 0.00 0.00 36.82 36.90 3h83 h ILE 16 CO -0.04 0.03 0.46 1.56 0.00 0.00 0.00 178.15 180.15 3h83 h GLN 17 N -0.28 0.70 -0.36 2.37 4.20 -0.75 0.39 115.11 121.37 3h83 h GLN 17 Ca -0.02 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.53 3h83 h GLN 17 Cb 0.22 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3h83 h GLN 17 CO 0.04 0.46 -0.24 0.93 -0.67 0.00 0.00 178.83 179.35 3h83 h GLU 18 N 0.72 0.71 -0.32 1.46 5.08 -1.10 -1.96 114.58 119.17 3h83 h GLU 18 Ca 0.43 -0.29 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 3h83 h GLU 18 Cb 0.49 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3h83 h GLU 18 CO -0.30 0.88 -0.30 -0.22 -1.00 0.00 0.00 179.01 178.08 3h83 h LYS 19 N 0.62 0.77 -0.57 2.33 1.63 -0.38 -1.75 116.57 119.22 3h83 h LYS 19 Ca 0.09 -0.40 -0.04 0.00 -0.85 0.00 0.00 60.65 59.45 3h83 h LYS 19 Cb 0.73 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.34 3h83 h LYS 19 CO 0.06 1.03 0.20 0.28 -3.45 0.00 0.00 179.45 177.56 3h83 h VAL 20 N 0.54 1.21 -0.37 2.00 2.07 -0.86 0.15 116.25 121.00 3h83 h VAL 20 Ca 0.05 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 3h83 h VAL 20 Cb 0.87 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3h83 h VAL 20 CO 0.08 0.27 0.02 0.25 0.02 0.00 0.00 177.57 178.21 3h83 h LEU 21 N 0.82 0.62 -0.12 2.57 5.85 -1.22 0.16 115.31 123.99 3h83 h LEU 21 Ca 0.19 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3h83 h LEU 21 Cb 0.21 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3h83 h LEU 21 CO -0.01 0.75 0.04 -0.08 -0.34 0.00 0.00 178.44 178.81 3h83 h GLU 22 N 0.46 0.19 -0.25 1.25 4.81 -0.87 -2.37 114.58 117.80 3h83 h GLU 22 Ca 0.11 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 3h83 h GLU 22 Cb 0.42 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 3h83 h GLU 22 CO 0.01 0.31 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.23 3h83 h LEU 23 N 0.03 0.52 -0.76 1.64 3.38 -0.53 -2.28 115.31 117.30 3h83 h LEU 23 Ca 0.04 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3h83 h LEU 23 Cb 0.20 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3h83 h LEU 23 CO -0.00 0.80 0.12 1.23 0.09 0.00 0.00 178.44 180.68 3h83 h GLY 24 N 1.05 1.14 1.21 0.83 0.00 -0.88 0.34 103.07 106.75 3h83 h GLY 24 Ca 0.06 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 46.55 3h83 h GLY 24 CO 0.06 0.68 -0.06 0.00 0.00 0.00 0.00 176.54 177.22 3h83 h ALA 25 N 1.12 0.90 -0.24 3.60 0.00 -1.23 -0.66 119.26 122.75 3h83 h ALA 25 Ca 0.20 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3h83 h ALA 25 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3h83 h ALA 25 CO 0.01 0.64 -0.02 0.82 0.00 0.00 0.00 179.25 180.70 3h83 h ILE 26 N 0.85 1.27 -0.60 0.00 2.04 -0.91 -2.42 117.51 117.74 3h83 h ILE 26 Ca 0.15 -0.97 -0.08 0.00 1.00 0.00 0.00 64.86 64.96 3h83 h ILE 26 Cb 0.59 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 3h83 h ILE 26 CO 0.04 0.30 0.07 0.40 0.00 0.00 0.00 178.15 178.96 3h83 h ILE 27 N 0.20 1.26 -0.82 -0.67 2.04 -0.88 -1.70 117.51 116.95 3h83 h ILE 27 Ca 0.07 -1.03 0.04 0.00 1.00 0.00 0.00 64.86 64.94 3h83 h ILE 27 Cb 0.46 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3h83 h ILE 27 CO 0.02 0.38 0.52 0.00 0.00 0.00 0.00 178.15 179.06 3h83 h ALA 28 N 1.14 1.09 -0.35 1.87 0.00 -0.97 -1.49 119.26 120.54 3h83 h ALA 28 Ca 0.18 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 3h83 h ALA 28 Cb 0.44 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3h83 h ALA 28 CO 0.02 0.32 -0.39 1.49 0.00 0.00 0.00 179.25 180.69 3h83 h GLU 29 N 1.00 0.88 0.00 0.00 4.81 -1.22 -2.49 114.58 117.55 3h83 h GLU 29 Ca 0.33 -0.48 -0.08 0.00 -0.13 0.00 0.00 59.36 59.01 3h83 h GLU 29 Cb 0.05 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3h83 h GLU 29 CO -0.13 1.13 -0.36 -0.44 -0.73 0.00 0.00 179.01 178.48 3h83 h ASP 30 N 0.68 0.00 -0.41 1.04 3.32 -0.90 -3.02 116.42 117.14 3h83 h ASP 30 Ca 0.05 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.89 3h83 h ASP 30 Cb 0.99 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.41 3h83 h ASP 30 CO 0.09 0.36 -0.03 -1.22 -1.72 0.00 0.00 179.24 176.72 3h83 n TYR 31 N -4.09 1.25 -0.07 4.55 4.01 -0.60 -4.80 117.16 117.40 3h83 n TYR 31 Ca -0.02 -1.65 0.05 0.00 -0.16 0.00 0.00 57.90 56.12 3h83 n TYR 31 Cb 0.40 -0.53 0.39 0.00 -0.31 0.00 0.00 39.34 39.29 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 1.01 0.63 -0.26 -0.72 2.10 -1.31 -3.14 116.57 114.88 3h83 h LYS 32 Ca 0.26 -0.04 -0.17 0.00 -2.00 0.00 0.00 60.65 58.70 3h83 h LYS 32 Cb 1.75 -0.14 -0.12 0.00 -0.90 0.00 0.00 32.23 32.82 3h83 h LYS 32 CO 0.45 0.42 -0.41 0.27 -2.00 0.00 0.00 179.45 178.18 3h83 n ASN 33 N -4.47 2.65 -3.66 7.07 0.23 -1.26 -4.90 115.26 110.92 3h83 n ASN 33 Ca 0.06 -3.85 -0.07 0.00 -0.53 0.00 0.00 54.58 50.19 3h83 n ASN 33 Cb 0.11 -0.54 -0.08 0.00 -2.08 0.00 0.00 39.78 37.19 3h83 n ASN 33 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3h83 s THR 34 N -3.54 -0.67 -0.61 5.53 -4.23 -1.19 -5.10 115.64 105.83 3h83 s THR 34 Ca 0.43 0.11 -0.28 0.00 -1.18 0.00 0.00 61.69 60.77 3h83 s THR 34 Cb 0.39 -0.77 0.02 0.00 1.34 0.00 0.00 72.50 73.49 3h83 s THR 34 CO -0.03 0.05 1.30 0.68 -0.54 0.00 0.00 174.62 176.08 3h83 s VAL 35 N 2.56 3.85 0.83 2.29 -7.23 -1.26 -4.84 120.40 116.59 3h83 s VAL 35 Ca -0.04 0.69 -0.12 0.00 -1.81 0.00 0.00 61.98 60.70 3h83 s VAL 35 Cb -0.11 -4.66 0.09 0.00 0.56 0.00 0.00 36.38 32.26 3h83 s VAL 35 CO -0.15 -1.40 1.14 -2.16 -0.31 0.00 0.00 175.10 172.22 3h83 s PRO 36 N 5.38 1.79 -0.39 4.82 0.04 -1.26 -4.76 135.00 140.62 3h83 s PRO 36 Ca 0.45 0.30 -0.14 0.00 0.04 0.00 0.00 61.00 61.65 3h83 s PRO 36 Cb -0.09 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.56 3h83 s PRO 36 CO 0.23 -1.75 0.27 -1.17 0.04 0.00 0.00 177.00 174.61 3h83 s LEU 37 N -5.75 4.93 -0.29 -3.56 2.96 0.02 -1.83 118.68 115.17 3h83 s LEU 37 Ca 0.62 -0.88 -0.17 0.00 -0.22 0.00 0.00 54.13 53.47 3h83 s LEU 37 Cb -0.13 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.42 3h83 s LEU 37 CO 0.52 -0.41 0.49 0.00 -1.32 0.00 0.00 176.35 175.63 3h83 s ALA 38 N 1.65 3.55 -0.09 5.97 0.00 -0.02 -0.67 121.76 132.15 3h83 s ALA 38 Ca 0.04 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.28 3h83 s ALA 38 Cb -0.19 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 20.03 3h83 s ALA 38 CO 0.09 -0.88 -0.23 0.42 0.00 0.00 0.00 175.76 175.17 3h83 s ILE 39 N 2.30 1.94 0.04 0.00 1.01 0.51 -0.72 121.20 126.29 3h83 s ILE 39 Ca 0.19 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.95 3h83 s ILE 39 Cb -0.16 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 3h83 s ILE 39 CO 0.11 0.54 -0.16 -0.83 0.00 0.00 0.00 174.94 174.59 3h83 s GLY 40 N 0.32 1.61 -0.26 6.18 0.00 -0.74 -0.52 107.32 113.91 3h83 s GLY 40 Ca -0.17 -1.17 -0.14 0.00 0.00 0.00 0.00 44.72 43.25 3h83 s GLY 40 CO 0.08 -1.06 0.31 0.14 0.00 0.00 0.00 173.10 172.57 3h83 s VAL 41 N -0.95 5.23 0.55 1.40 1.01 -1.26 -1.59 120.40 124.80 3h83 s VAL 41 Ca 0.15 0.46 -0.21 0.00 0.00 0.00 0.00 61.98 62.38 3h83 s VAL 41 Cb -0.11 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 3h83 s VAL 41 CO 0.06 0.22 1.27 -0.76 0.00 0.00 0.00 175.10 175.89 3h83 s LEU 42 N 1.74 3.81 -0.03 3.92 1.02 -0.50 -3.57 118.68 125.08 3h83 s LEU 42 Ca 0.13 2.55 0.15 0.00 0.02 0.00 0.00 54.13 56.97 3h83 s LEU 42 Cb -0.15 -4.39 -0.22 0.00 0.02 0.00 0.00 46.19 41.44 3h83 s LEU 42 CO 0.09 -1.47 0.30 0.29 0.02 0.00 0.00 176.35 175.58 3h83 n LYS 43 N -1.15 0.52 0.23 1.70 5.02 -1.26 -4.76 118.16 118.47 3h83 n LYS 43 Ca 0.11 -0.13 0.08 0.00 -2.02 0.00 0.00 58.31 56.35 3h83 n LYS 43 Cb 0.47 -1.35 0.57 0.00 -0.02 0.00 0.00 35.03 34.70 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 2.67 0.00 2.00 0.72 0.00 -1.77 -2.70 103.07 103.99 3h83 h GLY 44 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3h83 h GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 3h83 n ALA 45 N -2.40 1.90 -0.06 3.60 0.00 -1.23 -4.29 120.51 118.02 3h83 n ALA 45 Ca -0.02 0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.34 3h83 n ALA 45 Cb 0.27 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 0.23 -0.39 0.00 2.07 -1.76 -0.49 114.93 114.59 3h83 h MET 46 Ca 0.00 -0.01 -0.02 0.00 -2.07 0.00 0.00 59.70 57.60 3h83 h MET 46 Cb 0.46 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.12 3h83 h MET 46 CO 0.00 0.15 0.18 -1.35 1.07 0.00 0.00 176.91 176.96 3h83 h PRO 47 N 0.24 0.58 -0.22 -0.22 0.11 -1.84 -0.98 132.00 129.67 3h83 h PRO 47 Ca 0.10 -0.09 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3h83 h PRO 47 Cb 0.03 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 3h83 h PRO 47 CO -0.07 0.52 0.04 0.35 -0.21 0.00 0.00 178.00 178.63 3h83 h PHE 48 N 0.49 0.38 -0.54 0.65 3.57 -1.77 -2.23 116.94 117.49 3h83 h PHE 48 Ca 0.13 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.64 3h83 h PHE 48 Cb 0.15 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 3h83 h PHE 48 CO -0.01 0.49 0.26 1.98 -2.23 0.00 0.00 178.31 178.79 3h83 h MET 49 N 0.16 0.48 -0.17 1.11 4.05 -1.01 0.24 114.93 119.79 3h83 h MET 49 Ca 0.07 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.47 3h83 h MET 49 Cb 0.31 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 3h83 h MET 49 CO 0.00 0.31 0.07 0.00 0.23 0.00 0.00 176.91 177.52 3h83 h ALA 50 N 1.31 0.19 0.02 0.39 0.00 -1.00 -0.57 119.26 119.59 3h83 h ALA 50 Ca 0.24 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 3h83 h ALA 50 Cb 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3h83 h ALA 50 CO -0.19 -0.37 -0.95 -0.44 0.00 0.00 0.00 179.25 177.31 3h83 h ASP 51 N 0.15 0.10 0.23 0.00 3.32 -1.13 -2.34 116.42 116.75 3h83 h ASP 51 Ca 0.07 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3h83 h ASP 51 Cb 0.03 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3h83 h ASP 51 CO -0.06 0.99 -0.11 0.25 -1.72 0.00 0.00 179.24 178.58 3h83 h LEU 52 N 0.03 -0.26 -1.04 1.55 5.85 -0.40 -3.02 115.31 118.02 3h83 h LEU 52 Ca -0.03 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 3h83 h LEU 52 Cb 1.64 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.72 3h83 h LEU 52 CO 0.13 -0.05 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.99 3h83 h LEU 53 N -0.47 0.53 -0.95 2.25 3.38 -1.14 -1.43 115.31 117.48 3h83 h LEU 53 Ca -0.03 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3h83 h LEU 53 Cb 0.35 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3h83 h LEU 53 CO 0.05 0.68 0.00 2.29 0.09 0.00 0.00 178.44 181.55 3h83 n LYS 54 N -4.19 0.15 -0.30 1.13 2.85 -0.88 -1.25 118.16 115.67 3h83 n LYS 54 Ca 0.01 0.51 0.07 0.00 -1.05 0.00 0.00 58.31 57.85 3h83 n LYS 54 Cb 0.33 -1.87 0.22 0.00 -0.65 0.00 0.00 35.03 33.06 3h83 n LYS 54 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3h83 n ARG 55 N -2.17 2.96 -3.70 -1.58 5.12 -0.57 -4.84 116.66 111.88 3h83 n ARG 55 Ca 0.01 -2.36 -0.38 0.00 -1.93 0.00 0.00 57.85 53.19 3h83 n ARG 55 Cb 0.13 -1.47 -0.10 0.00 -1.16 0.00 0.00 32.46 29.86 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 -1.34 3.64 -1.33 0.55 2.01 -0.38 -3.69 115.64 115.10 3h83 s THR 56 Ca 0.33 -2.17 -0.12 0.00 0.31 0.00 0.00 61.69 60.05 3h83 s THR 56 Cb 0.20 -3.44 0.12 0.00 0.01 0.00 0.00 72.50 69.39 3h83 s THR 56 CO 0.19 -0.75 1.94 -0.67 -0.69 0.00 0.00 174.62 174.63 3h83 n ASP 57 N 4.45 4.72 -3.45 3.53 2.03 -1.26 -4.84 116.55 121.73 3h83 n ASP 57 Ca -0.01 -3.01 -0.13 0.00 0.52 0.00 0.00 54.79 52.15 3h83 n ASP 57 Cb 0.41 -1.56 -0.03 0.00 -0.72 0.00 0.00 41.12 39.22 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 1.54 0.00 0.11 5.18 -1.32 -1.26 -4.93 115.64 114.96 3h83 s THR 58 Ca 0.43 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.60 3h83 s THR 58 Cb 0.10 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 70.00 3h83 s THR 58 CO -0.02 0.00 1.56 -0.31 -2.21 0.00 0.00 174.62 173.64 3h83 s TYR 59 N -3.03 2.84 0.16 9.09 2.02 -1.26 -4.98 117.35 122.19 3h83 s TYR 59 Ca -0.02 0.57 -0.14 0.00 -0.37 0.00 0.00 57.07 57.11 3h83 s TYR 59 Cb -0.01 -3.89 0.02 0.00 -0.40 0.00 0.00 41.96 37.68 3h83 s TYR 59 CO -0.07 -3.37 0.41 -0.48 -1.57 0.00 0.00 175.55 170.47 3h83 s LEU 60 N 1.77 0.47 -0.02 -1.29 0.05 -1.26 -4.11 118.68 114.29 3h83 s LEU 60 Ca 0.70 -0.56 0.05 0.00 0.05 0.00 0.00 54.13 54.37 3h83 s LEU 60 Cb -0.40 1.75 -0.03 0.00 -2.05 0.00 0.00 46.19 45.46 3h83 s LEU 60 CO 0.31 -0.95 -0.16 -0.70 -0.55 0.00 0.00 176.35 174.31 3h83 s GLU 61 N -3.88 2.34 0.03 1.48 2.12 -0.76 -4.98 118.70 115.04 3h83 s GLU 61 Ca 0.10 -0.80 -0.00 0.00 0.36 0.00 0.00 54.97 54.62 3h83 s GLU 61 Cb 0.01 -2.30 -0.04 0.00 0.26 0.00 0.00 34.13 32.07 3h83 s GLU 61 CO -0.05 0.59 0.14 -1.64 -0.54 0.00 0.00 175.26 173.77 3h83 s MET 62 N -0.97 3.22 0.28 4.30 -1.94 -1.26 -0.84 119.30 122.09 3h83 s MET 62 Ca 0.13 -0.48 -0.14 0.00 -1.71 0.00 0.00 55.69 53.49 3h83 s MET 62 Cb -0.11 -2.94 0.01 0.00 2.01 0.00 0.00 34.83 33.80 3h83 s MET 62 CO 0.02 0.63 0.57 0.34 -0.01 0.00 0.00 175.02 176.56 3h83 s ASP 63 N -2.15 0.01 -0.03 3.03 3.68 0.10 -4.91 116.67 116.40 3h83 s ASP 63 Ca 0.29 -0.96 -0.07 0.00 2.13 0.00 0.00 52.55 53.94 3h83 s ASP 63 Cb -0.12 0.66 0.01 0.00 -1.45 0.00 0.00 42.92 42.01 3h83 s ASP 63 CO 0.21 -1.27 0.16 -0.36 0.13 0.00 0.00 175.17 174.04 3h83 s PHE 64 N -3.67 -0.07 0.16 -5.34 0.08 -1.26 -1.79 117.98 106.08 3h83 s PHE 64 Ca 0.20 0.16 0.10 0.00 0.12 0.00 0.00 56.93 57.51 3h83 s PHE 64 Cb -0.02 0.01 -0.04 0.00 -0.57 0.00 0.00 43.02 42.40 3h83 s PHE 64 CO 0.10 -0.21 -0.24 -1.64 -0.10 0.00 0.00 175.22 173.14 3h83 s MET 65 N -0.73 1.39 -0.04 0.44 -1.94 -0.62 -4.28 119.30 113.53 3h83 s MET 65 Ca -0.08 -1.40 0.04 0.00 -1.71 0.00 0.00 55.69 52.54 3h83 s MET 65 Cb -0.05 -1.74 -0.00 0.00 2.01 0.00 0.00 34.83 35.05 3h83 s MET 65 CO 0.01 0.39 -0.17 0.00 -0.01 0.00 0.00 175.02 175.24 3h83 s ALA 66 N -1.45 1.46 0.15 3.03 0.00 -0.83 -1.40 121.76 122.72 3h83 s ALA 66 Ca 0.16 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.46 3h83 s ALA 66 Cb -0.09 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 3h83 s ALA 66 CO 0.07 0.28 0.00 0.14 0.00 0.00 0.00 175.76 176.25 3h83 s VAL 67 N -0.02 0.57 0.04 0.00 -7.23 -1.26 -0.35 120.40 112.16 3h83 s VAL 67 Ca -0.02 -1.96 -0.03 0.00 -1.81 0.00 0.00 61.98 58.16 3h83 s VAL 67 Cb -0.10 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.79 3h83 s VAL 67 CO 0.02 -0.55 0.04 -0.94 -0.31 0.00 0.00 175.10 173.36 3h83 s SER 68 N -3.13 0.30 0.38 4.85 1.04 -0.27 -4.87 113.70 112.00 3h83 s SER 68 Ca 0.22 -0.71 -0.26 0.00 0.48 0.00 0.00 55.95 55.68 3h83 s SER 68 Cb 0.06 0.21 -0.09 0.00 0.10 0.00 0.00 66.02 66.30 3h83 s SER 68 CO 0.02 -0.53 1.15 -0.55 0.98 0.00 0.00 173.24 174.30 3h83 s SER 69 N -2.39 6.66 0.00 7.02 0.15 -1.26 -0.71 113.70 123.17 3h83 s SER 69 Ca -0.01 2.30 0.24 0.00 0.70 0.00 0.00 55.95 59.18 3h83 s SER 69 Cb 0.01 -2.61 0.36 0.00 -1.71 0.00 0.00 66.02 62.07 3h83 s SER 69 CO -0.07 -0.57 1.31 -1.22 1.20 0.00 0.00 173.24 173.89 3h83 n TYR 70 N 0.22 0.00 0.00 3.44 4.01 -1.26 -4.80 117.16 118.77 3h83 n TYR 70 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 3h83 n TYR 70 Cb 0.47 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 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 1.42 0.98 0.09 2.72 0.00 -1.26 -4.66 105.19 104.47 3h83 n GLY 71 Ca 0.09 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 3h83 n GLY 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3h83 h HIS 72 N 0.00 0.17 0.00 1.61 3.86 -1.96 -2.31 115.15 116.52 3h83 h HIS 72 Ca 0.00 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 3h83 h HIS 72 Cb 0.00 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.42 3h83 h HIS 72 CO 0.00 0.33 -0.14 1.03 0.86 0.00 0.00 177.93 180.01 3h83 h SER 73 N -0.04 0.00 -0.15 2.45 0.87 -1.88 -2.48 113.55 112.32 3h83 h SER 73 Ca 0.03 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 3h83 h SER 73 Cb 0.24 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3h83 h SER 73 CO 0.00 0.14 -0.04 0.74 -0.53 0.00 0.00 176.83 177.14 3h83 h THR 74 N 0.00 1.29 -0.96 2.23 2.02 -1.37 0.10 112.91 116.22 3h83 h THR 74 Ca -0.00 -1.00 -0.48 0.00 0.77 0.00 0.00 66.41 65.70 3h83 h THR 74 Cb 0.27 1.65 -0.16 0.00 -1.74 0.00 0.00 68.15 68.17 3h83 h THR 74 CO 0.02 0.29 0.38 0.52 0.37 0.00 0.00 175.52 177.10 3h83 n VAL 75 N -4.69 3.35 0.05 3.16 0.31 -0.94 -1.21 118.33 118.36 3h83 n VAL 75 Ca -0.06 -2.88 0.00 0.00 -0.01 0.00 0.00 64.34 61.40 3h83 n VAL 75 Cb 0.26 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.54 3h83 n VAL 75 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3h83 n SER 76 N 1.07 -0.98 -0.05 4.52 3.41 -1.13 -4.94 113.62 115.53 3h83 n SER 76 Ca 0.49 0.21 0.02 0.00 -0.26 0.00 0.00 58.87 59.33 3h83 n SER 76 Cb 0.58 1.29 -0.01 0.00 -0.26 0.00 0.00 64.21 65.81 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 -2.72 0.00 -0.25 6.66 -2.24 0.29 -5.01 114.28 111.02 3h83 n THR 77 Ca 0.00 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3h83 n THR 77 Cb 0.00 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 0.83 1.82 3.65 3.38 0.00 -0.35 -4.59 105.19 109.94 3h83 n GLY 78 Ca 0.01 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.53 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 1.63 -4.23 1.61 2.13 -1.22 -4.20 120.64 114.36 3h83 n GLU 79 Ca 0.00 0.59 -0.13 0.00 0.66 0.00 0.00 57.16 58.28 3h83 n GLU 79 Cb 0.00 -2.31 -0.10 0.00 0.27 0.00 0.00 31.44 29.30 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 1.57 0.87 -0.10 6.31 -7.23 -1.26 -3.14 120.40 117.42 3h83 s VAL 80 Ca 0.86 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.78 3h83 s VAL 80 Cb -0.84 -1.93 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 3h83 s VAL 80 CO 0.47 -0.66 0.78 -0.75 -0.31 0.00 0.00 175.10 174.63 3h83 s LYS 81 N -3.84 4.39 -0.31 4.82 2.20 0.11 -4.90 119.74 122.22 3h83 s LYS 81 Ca 0.19 0.99 -0.28 0.00 -0.36 0.00 0.00 55.97 56.51 3h83 s LYS 81 Cb 0.05 -3.50 0.01 0.00 -1.51 0.00 0.00 37.83 32.88 3h83 s LYS 81 CO 0.01 -0.10 1.02 0.42 -0.36 0.00 0.00 175.35 176.34 3h83 s ILE 82 N 1.35 4.58 -0.19 5.43 1.01 -1.26 -1.11 121.20 131.02 3h83 s ILE 82 Ca 0.39 1.68 0.04 0.00 0.00 0.00 0.00 60.65 62.76 3h83 s ILE 82 Cb -0.18 -4.36 -0.22 0.00 0.01 0.00 0.00 42.46 37.72 3h83 s ILE 82 CO 0.17 -0.40 0.09 0.18 0.00 0.00 0.00 174.94 174.98 3h83 n LEU 83 N 6.69 2.11 -3.71 2.97 4.77 0.53 -4.85 117.00 125.51 3h83 n LEU 83 Ca 0.11 0.05 -0.22 0.00 -0.03 0.00 0.00 56.01 55.91 3h83 n LEU 83 Cb 0.47 -0.59 -0.18 0.00 -2.33 0.00 0.00 43.42 40.79 3h83 n LEU 83 CO 0.57 0.77 -0.36 -0.75 -1.33 0.00 0.00 177.39 176.30 3h83 s LYS 84 N -2.53 0.22 0.66 3.23 2.20 -0.79 -4.92 119.74 117.81 3h83 s LYS 84 Ca -0.24 0.22 -0.03 0.00 -0.36 0.00 0.00 55.97 55.56 3h83 s LYS 84 Cb 0.08 -0.83 0.07 0.00 -1.51 0.00 0.00 37.83 35.63 3h83 s LYS 84 CO 0.71 -0.35 0.94 0.34 -0.36 0.00 0.00 175.35 176.63 3h83 s ASP 85 N 2.08 4.82 0.57 1.43 -1.08 -1.26 -1.96 116.67 121.27 3h83 s ASP 85 Ca 0.05 0.13 -0.19 0.00 -0.52 0.00 0.00 52.55 52.01 3h83 s ASP 85 Cb -0.13 -0.79 -0.04 0.00 -1.46 0.00 0.00 42.92 40.51 3h83 s ASP 85 CO -0.04 -1.53 1.20 -0.76 0.52 0.00 0.00 175.17 174.56 3h83 s LEU 86 N -5.08 3.71 0.05 -1.34 1.43 -1.26 -4.82 118.68 111.38 3h83 s LEU 86 Ca 0.61 2.37 0.27 0.00 -1.03 0.00 0.00 54.13 56.35 3h83 s LEU 86 Cb -0.09 -4.56 1.08 0.00 0.03 0.00 0.00 46.19 42.65 3h83 s LEU 86 CO 0.43 -1.49 1.85 0.47 0.23 0.00 0.00 176.35 177.83 3h83 n ASP 87 N -1.45 0.20 -4.17 2.29 8.00 -1.26 -4.83 116.55 115.34 3h83 n ASP 87 Ca 0.13 0.52 -0.10 0.00 0.71 0.00 0.00 54.79 56.05 3h83 n ASP 87 Cb 0.49 -0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 3h83 n ASP 87 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3h83 s THR 88 N -3.03 0.39 0.62 -3.53 -1.32 -1.26 -5.14 115.64 102.36 3h83 s THR 88 Ca 0.12 -1.91 -0.16 0.00 -1.21 0.00 0.00 61.69 58.53 3h83 s THR 88 Cb 0.16 -1.90 -0.02 0.00 -1.51 0.00 0.00 72.50 69.23 3h83 s THR 88 CO 0.52 -0.64 1.09 -0.94 -2.21 0.00 0.00 174.62 172.44 3h83 s SER 89 N -3.06 5.43 -0.12 8.08 1.04 -1.26 -4.98 113.70 118.83 3h83 s SER 89 Ca 0.19 1.96 0.11 0.00 0.48 0.00 0.00 55.95 58.69 3h83 s SER 89 Cb 0.07 -2.55 -0.24 0.00 0.10 0.00 0.00 66.02 63.40 3h83 s SER 89 CO -0.01 -1.41 0.37 0.52 0.98 0.00 0.00 173.24 173.69 3h83 n VAL 90 N -2.12 1.55 -1.61 5.02 0.31 -1.26 -4.86 118.33 115.37 3h83 n VAL 90 Ca 0.10 -0.78 -0.49 0.00 -0.01 0.00 0.00 64.34 63.15 3h83 n VAL 90 Cb 0.52 -0.97 -0.05 0.00 -0.91 0.00 0.00 33.84 32.43 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 -3.02 1.41 -0.64 5.55 2.13 -1.16 -0.57 120.64 124.35 3h83 n GLU 91 Ca -0.26 0.51 0.00 0.00 0.66 0.00 0.00 57.16 58.07 3h83 n GLU 91 Cb 1.08 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.65 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 2.52 1.24 3.90 8.31 0.00 0.09 -4.90 105.19 116.35 3h83 n GLY 92 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.15 3.63 -0.22 1.61 1.81 0.27 -4.27 118.95 121.62 3h83 s ARG 93 Ca 0.00 -0.06 -0.21 0.00 -1.72 0.00 0.00 55.73 53.74 3h83 s ARG 93 Cb 0.00 -2.75 -0.02 0.00 -0.45 0.00 0.00 34.95 31.73 3h83 s ARG 93 CO 0.00 0.35 0.65 -0.51 -0.68 0.00 0.00 175.30 175.12 3h83 s ASP 94 N -2.80 6.67 -0.14 0.23 1.01 -1.26 0.15 116.67 120.52 3h83 s ASP 94 Ca 0.42 0.82 -0.04 0.00 0.71 0.00 0.00 52.55 54.46 3h83 s ASP 94 Cb -0.11 -2.36 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 3h83 s ASP 94 CO 0.27 -0.33 -0.01 -0.63 0.21 0.00 0.00 175.17 174.67 3h83 s ILE 95 N 2.21 4.15 -0.23 0.77 -1.09 0.04 -0.80 121.20 126.25 3h83 s ILE 95 Ca 0.29 -0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.45 3h83 s ILE 95 Cb -0.16 -2.81 0.05 0.00 -1.58 0.00 0.00 42.46 37.96 3h83 s ILE 95 CO 0.09 0.51 -0.11 -0.22 -1.23 0.00 0.00 174.94 173.99 3h83 s LEU 96 N 0.08 2.78 -0.14 2.97 2.96 0.16 -1.36 118.68 126.13 3h83 s LEU 96 Ca 0.01 -1.11 -0.21 0.00 -0.22 0.00 0.00 54.13 52.60 3h83 s LEU 96 Cb -0.13 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 3h83 s LEU 96 CO 0.02 -0.16 0.63 -0.63 -1.32 0.00 0.00 176.35 174.89 3h83 s ILE 97 N 1.26 5.05 -0.19 6.68 1.01 0.01 -0.36 121.20 134.66 3h83 s ILE 97 Ca -0.04 1.23 -0.07 0.00 0.00 0.00 0.00 60.65 61.77 3h83 s ILE 97 Cb -0.18 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 3h83 s ILE 97 CO -0.07 0.19 0.04 -0.69 0.00 0.00 0.00 174.94 174.41 3h83 s VAL 98 N 1.36 4.48 0.10 2.92 1.01 0.32 -0.87 120.40 129.72 3h83 s VAL 98 Ca 0.31 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.20 3h83 s VAL 98 Cb -0.16 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 3h83 s VAL 98 CO 0.13 0.43 -0.12 -0.70 0.00 0.00 0.00 175.10 174.84 3h83 s GLU 99 N 0.69 0.89 -0.10 2.72 2.56 0.29 -4.11 118.70 121.65 3h83 s GLU 99 Ca 0.02 -1.15 -0.25 0.00 0.00 0.00 0.00 54.97 53.59 3h83 s GLU 99 Cb -0.14 -0.69 -0.28 0.00 2.00 0.00 0.00 34.13 35.03 3h83 s GLU 99 CO 0.02 0.12 0.77 0.38 -0.56 0.00 0.00 175.26 175.99 3h83 h ASP 100 N 3.66 0.21 -4.53 -1.70 2.03 -1.86 -1.77 116.42 112.45 3h83 h ASP 100 Ca -0.38 -0.94 -0.14 0.00 -0.73 0.00 0.00 57.03 54.83 3h83 h ASP 100 Cb 1.19 -0.07 -0.22 0.00 -0.83 0.00 0.00 39.33 39.40 3h83 h ASP 100 CO 0.50 1.23 -0.36 -0.51 -1.03 0.00 0.00 179.24 179.07 3h83 s ILE 101 N -2.33 0.04 -0.15 4.15 2.07 -1.26 -1.18 121.20 122.55 3h83 s ILE 101 Ca -0.17 -0.33 0.01 0.00 -1.41 0.00 0.00 60.65 58.75 3h83 s ILE 101 Cb -0.00 -0.49 0.00 0.00 0.13 0.00 0.00 42.46 42.10 3h83 s ILE 101 CO 0.75 -0.18 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.78 3h83 s ILE 102 N -0.76 2.37 0.00 2.00 1.01 -0.97 -5.00 121.20 119.85 3h83 s ILE 102 Ca -0.08 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.70 3h83 s ILE 102 Cb -0.04 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.45 3h83 s ILE 102 CO 0.02 0.53 0.00 -0.67 0.00 0.00 0.00 174.94 174.82 3h83 n ASP 103 N 4.12 0.00 -0.01 3.58 -0.08 -1.26 -1.47 116.55 121.41 3h83 n ASP 103 Ca -0.20 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.06 3h83 n ASP 103 Cb 0.51 0.00 0.23 0.00 2.34 0.00 0.00 41.12 44.20 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 0.54 0.00 1.67 4.64 -1.88 -2.78 113.55 115.75 3h83 h SER 104 Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3h83 h SER 104 Cb 0.00 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3h83 h SER 104 CO 0.00 0.69 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 3h83 n GLY 105 N -0.62 0.72 0.16 -0.77 0.00 -1.26 -0.72 105.19 102.70 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 -0.27 -0.89 0.99 3.38 -1.93 -0.79 115.31 115.80 3h83 h LEU 106 Ca 0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 3h83 h LEU 106 Cb 0.05 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3h83 h LEU 106 CO 0.00 0.10 0.36 0.74 0.09 0.00 0.00 178.44 179.72 3h83 h THR 107 N -0.67 1.25 -0.48 0.22 2.02 -1.85 -1.01 112.91 112.39 3h83 h THR 107 Ca -0.03 -0.75 -0.12 0.00 0.77 0.00 0.00 66.41 66.29 3h83 h THR 107 Cb 0.47 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3h83 h THR 107 CO 0.05 0.31 -0.16 0.25 0.37 0.00 0.00 175.52 176.34 3h83 h LEU 108 N 1.14 0.95 -0.69 2.58 5.85 -1.88 -0.84 115.31 122.42 3h83 h LEU 108 Ca 0.27 -0.33 -0.08 0.00 0.84 0.00 0.00 57.88 58.58 3h83 h LEU 108 Cb 0.15 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3h83 h LEU 108 CO -0.03 1.09 0.13 -1.28 -0.34 0.00 0.00 178.44 178.02 3h83 h SER 109 N 0.82 1.08 -0.37 1.25 0.87 -0.85 0.94 113.55 117.29 3h83 h SER 109 Ca 0.12 -0.25 0.01 0.00 -1.23 0.00 0.00 61.79 60.44 3h83 h SER 109 Cb 0.71 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 3h83 h SER 109 CO 0.05 1.05 0.23 0.22 -0.53 0.00 0.00 176.83 177.86 3h83 h TYR 110 N 1.06 0.44 -0.38 2.24 3.20 -0.72 -1.44 116.97 121.37 3h83 h TYR 110 Ca 0.21 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 3h83 h TYR 110 Cb 0.42 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3h83 h TYR 110 CO 0.03 0.27 0.14 -0.07 -1.64 0.00 0.00 178.16 176.89 3h83 h LEU 111 N 0.47 0.53 -0.47 2.82 3.38 -0.84 -0.81 115.31 120.39 3h83 h LEU 111 Ca 0.14 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3h83 h LEU 111 Cb -0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3h83 h LEU 111 CO -0.05 0.56 0.18 0.58 0.09 0.00 0.00 178.44 179.80 3h83 h VAL 112 N 0.46 0.87 0.00 1.22 2.07 -0.63 -0.25 116.25 119.99 3h83 h VAL 112 Ca 0.12 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3h83 h VAL 112 Cb 0.20 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3h83 h VAL 112 CO -0.01 0.07 0.00 0.44 0.02 0.00 0.00 177.57 178.09 3h83 h ASP 113 N 0.36 0.00 -0.34 0.57 3.32 -1.07 -2.19 116.42 117.07 3h83 h ASP 113 Ca 0.22 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 3h83 h ASP 113 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3h83 h ASP 113 CO -0.21 0.00 0.10 0.25 -1.72 0.00 0.00 179.24 177.66 3h83 h LEU 114 N 0.00 0.50 -1.07 1.55 5.85 -0.55 0.89 115.31 122.48 3h83 h LEU 114 Ca 0.00 -0.21 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 3h83 h LEU 114 Cb 0.94 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3h83 h LEU 114 CO 0.00 0.58 -0.14 -0.26 -0.34 0.00 0.00 178.44 178.29 3h83 h PHE 115 N 0.40 0.54 -0.41 1.25 0.04 -0.61 0.23 116.94 118.38 3h83 h PHE 115 Ca 0.11 -0.09 -0.14 0.00 2.80 0.00 0.00 57.97 60.66 3h83 h PHE 115 Cb 0.27 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 3h83 h PHE 115 CO 0.01 0.62 -0.28 0.87 -0.60 0.00 0.00 178.31 178.93 3h83 h LYS 116 N 0.46 0.92 -0.75 1.51 1.57 -1.30 -1.34 116.57 117.63 3h83 h LYS 116 Ca 0.08 -0.44 0.06 0.00 -1.87 0.00 0.00 60.65 58.48 3h83 h LYS 116 Cb 0.51 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.76 3h83 h LYS 116 CO 0.03 1.09 0.45 -0.92 -0.57 0.00 0.00 179.45 179.53 3h83 h TYR 117 N 0.74 0.83 0.00 -1.35 3.20 -0.22 0.17 116.97 120.34 3h83 h TYR 117 Ca 0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3h83 h TYR 117 Cb 0.87 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.87 3h83 h TYR 117 CO 0.06 0.41 0.00 0.54 -1.64 0.00 0.00 178.16 177.53 3h83 n ARG 118 N -4.70 0.77 -2.53 1.82 1.74 0.76 -4.87 116.66 109.66 3h83 n ARG 118 Ca 0.10 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.09 3h83 n ARG 118 Cb 0.17 -1.02 0.01 0.00 -1.02 0.00 0.00 32.46 30.60 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 -0.47 -1.89 -1.65 5.56 5.02 0.59 -2.97 118.16 122.35 3h83 n LYS 119 Ca 0.00 0.39 -0.40 0.00 -2.02 0.00 0.00 58.31 56.28 3h83 n LYS 119 Cb 0.01 -4.18 0.03 0.00 -0.02 0.00 0.00 35.03 30.87 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 -2.39 0.61 -0.15 7.82 0.00 -0.56 -0.73 120.51 125.12 3h83 n ALA 120 Ca -0.05 0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 3h83 n ALA 120 Cb 0.55 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.83 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 1.36 0.81 -3.31 0.00 3.64 -0.47 -3.44 116.57 115.16 3h83 h LYS 121 Ca -0.47 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 58.56 3h83 h LYS 121 Cb 1.33 -0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 32.97 3h83 h LYS 121 CO 0.56 0.92 -0.01 -1.54 -2.27 0.00 0.00 179.45 177.10 3h83 s SER 122 N -6.40 -0.31 -0.05 4.20 1.04 -1.18 -4.97 113.70 106.02 3h83 s SER 122 Ca -0.12 -0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.05 3h83 s SER 122 Cb 0.11 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.75 3h83 s SER 122 CO 0.82 -0.88 0.01 -0.69 0.98 0.00 0.00 173.24 173.48 3h83 s VAL 123 N -3.79 0.25 0.24 5.02 1.01 -1.26 -0.78 120.40 121.09 3h83 s VAL 123 Ca 0.03 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.21 3h83 s VAL 123 Cb 0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.93 3h83 s VAL 123 CO -0.12 0.22 -0.03 -0.54 0.00 0.00 0.00 175.10 174.63 3h83 s LYS 124 N 1.75 1.38 -0.05 2.72 1.02 -0.46 -4.99 119.74 121.09 3h83 s LYS 124 Ca 0.01 -1.69 0.02 0.00 0.02 0.00 0.00 55.97 54.34 3h83 s LYS 124 Cb -0.13 -0.79 0.01 0.00 -0.52 0.00 0.00 37.83 36.40 3h83 s LYS 124 CO -0.04 -0.03 -0.11 0.42 -0.92 0.00 0.00 175.35 174.67 3h83 s ILE 125 N -3.28 1.03 -0.13 2.17 1.01 -1.26 -0.81 121.20 119.94 3h83 s ILE 125 Ca 0.28 -0.44 0.01 0.00 0.00 0.00 0.00 60.65 60.50 3h83 s ILE 125 Cb 0.05 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.57 3h83 s ILE 125 CO 0.09 0.33 -0.17 0.54 0.00 0.00 0.00 174.94 175.73 3h83 s VAL 126 N 0.54 2.64 -0.02 2.92 0.11 -0.05 -0.73 120.40 125.81 3h83 s VAL 126 Ca -0.11 -0.80 0.04 0.00 -2.93 0.00 0.00 61.98 58.18 3h83 s VAL 126 Cb -0.14 -2.09 -0.01 0.00 -1.53 0.00 0.00 36.38 32.62 3h83 s VAL 126 CO 0.03 0.53 -0.14 0.28 -3.33 0.00 0.00 175.10 172.47 3h83 s THR 127 N 0.52 1.12 0.03 5.04 -1.32 0.04 -0.54 115.64 120.52 3h83 s THR 127 Ca -0.11 -0.58 -0.25 0.00 -1.21 0.00 0.00 61.69 59.54 3h83 s THR 127 Cb -0.16 -0.95 -0.18 0.00 -1.51 0.00 0.00 72.50 69.71 3h83 s THR 127 CO 0.04 0.32 1.46 0.25 -2.21 0.00 0.00 174.62 174.49 3h83 h LEU 128 N 6.00 -0.08 -8.80 9.08 5.85 -1.37 -0.90 115.31 125.09 3h83 h LEU 128 Ca -0.34 -0.23 -0.69 0.00 0.84 0.00 0.00 57.88 57.46 3h83 h LEU 128 Cb 1.17 0.02 -0.25 0.00 0.37 0.00 0.00 40.66 41.96 3h83 h LEU 128 CO 0.49 0.18 -0.85 -0.76 -0.34 0.00 0.00 178.44 177.16 3h83 s LEU 129 N -9.68 2.35 -0.01 2.25 1.43 -0.32 -0.21 118.68 114.48 3h83 s LEU 129 Ca -0.15 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.53 3h83 s LEU 129 Cb 0.04 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 3h83 s LEU 129 CO 0.65 0.28 -0.13 -0.62 0.23 0.00 0.00 176.35 176.76 3h83 s ASP 130 N -1.10 1.48 -0.54 2.29 2.15 0.39 -2.30 116.67 119.04 3h83 s ASP 130 Ca 0.12 -0.23 0.04 0.00 0.43 0.00 0.00 52.55 52.92 3h83 s ASP 130 Cb -0.10 -0.18 0.17 0.00 -0.30 0.00 0.00 42.92 42.50 3h83 s ASP 130 CO 0.02 0.15 0.39 -0.75 -0.17 0.00 0.00 175.17 174.82 3h83 s LYS 131 N -0.26 1.60 0.46 4.34 2.20 -0.55 -0.24 119.74 127.30 3h83 s LYS 131 Ca 0.04 -2.62 0.31 0.00 -0.36 0.00 0.00 55.97 53.34 3h83 s LYS 131 Cb -0.05 -2.36 1.25 0.00 -1.51 0.00 0.00 37.83 35.16 3h83 s LYS 131 CO -0.00 -1.32 1.90 -1.00 -0.36 0.00 0.00 175.35 174.57 3h83 h PRO 132 N 5.65 0.00 0.00 4.03 0.13 -1.81 -1.01 132.00 138.99 3h83 h PRO 132 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3h83 h PRO 132 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 3h83 h PRO 132 CO 0.53 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.55 3h83 n THR 133 N -2.83 0.57 1.30 1.56 -2.24 -1.26 -2.65 114.28 108.73 3h83 n THR 133 Ca 0.01 0.14 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 3h83 n THR 133 Cb 0.28 -0.79 0.41 0.00 -2.10 0.00 0.00 70.33 68.13 3h83 n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h83 n GLY 134 N 0.63 -0.45 3.68 3.38 0.00 -0.38 -5.00 105.19 107.05 3h83 n GLY 134 Ca 0.05 -0.42 -0.45 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.44 2.27 0.00 1.61 5.12 -1.05 -3.73 116.66 120.45 3h83 n ARG 135 Ca 0.14 0.82 0.07 0.00 -1.93 0.00 0.00 57.85 56.95 3h83 n ARG 135 Cb 0.35 -2.59 0.05 0.00 -1.16 0.00 0.00 32.46 29.11 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 3.26 1.18 -3.77 5.56 4.76 0.10 -4.96 118.16 124.30 3h83 n LYS 136 Ca 0.16 -1.23 -0.12 0.00 -2.87 0.00 0.00 58.31 54.25 3h83 n LYS 136 Cb 0.31 -1.26 -0.08 0.00 -1.84 0.00 0.00 35.03 32.16 3h83 n LYS 136 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3h83 s VAL 137 N -1.31 0.08 -0.57 -0.18 -7.23 -1.23 -5.01 120.40 104.95 3h83 s VAL 137 Ca 0.16 -0.67 -0.28 0.00 -1.81 0.00 0.00 61.98 59.37 3h83 s VAL 137 Cb 0.12 -0.88 0.02 0.00 0.56 0.00 0.00 36.38 36.20 3h83 s VAL 137 CO 0.22 -0.37 1.32 -0.62 -0.31 0.00 0.00 175.10 175.33 3h83 s ASP 138 N -1.95 6.27 -0.10 4.85 2.15 -1.26 -4.93 116.67 121.71 3h83 s ASP 138 Ca -0.06 0.19 -0.03 0.00 0.43 0.00 0.00 52.55 53.07 3h83 s ASP 138 Cb -0.02 -2.55 0.04 0.00 -0.30 0.00 0.00 42.92 40.10 3h83 s ASP 138 CO -0.02 -1.62 0.07 -0.22 -0.17 0.00 0.00 175.17 173.22 3h83 s LEU 139 N 5.57 0.23 -0.18 -1.34 2.96 -1.26 -5.10 118.68 119.56 3h83 s LEU 139 Ca 0.48 -0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 54.14 3h83 s LEU 139 Cb -0.09 -0.18 -0.02 0.00 0.50 0.00 0.00 46.19 46.39 3h83 s LEU 139 CO 0.25 -0.29 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.41 3h83 s LYS 140 N 2.16 3.54 0.56 1.98 1.02 -1.26 -5.04 119.74 122.69 3h83 s LYS 140 Ca 0.04 -0.57 -0.19 0.00 0.02 0.00 0.00 55.97 55.27 3h83 s LYS 140 Cb -0.14 -2.96 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 3h83 s LYS 140 CO -0.06 0.05 1.15 0.00 -0.92 0.00 0.00 175.35 175.57 3h83 s ALA 141 N 0.87 2.66 -0.00 5.17 0.00 -1.26 -4.88 121.76 124.31 3h83 s ALA 141 Ca -0.01 0.88 0.08 0.00 0.00 0.00 0.00 51.96 52.91 3h83 s ALA 141 Cb -0.15 -3.38 -0.23 0.00 0.00 0.00 0.00 23.12 19.36 3h83 s ALA 141 CO 0.01 -0.87 0.83 -0.44 0.00 0.00 0.00 175.76 175.29 3h83 h ASP 142 N 1.13 0.09 -3.55 0.00 3.32 -1.31 -3.46 116.42 112.64 3h83 h ASP 142 Ca -0.50 -0.15 -0.44 0.00 0.02 0.00 0.00 57.03 55.96 3h83 h ASP 142 Cb 1.27 -0.03 -0.33 0.00 0.22 0.00 0.00 39.33 40.46 3h83 h ASP 142 CO 0.56 1.13 -0.79 -0.31 -1.72 0.00 0.00 179.24 178.11 3h83 s TYR 143 N -2.63 1.00 -0.03 4.55 2.02 -0.26 -5.01 117.35 117.00 3h83 s TYR 143 Ca -0.05 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.37 3h83 s TYR 143 Cb 0.08 -0.78 0.00 0.00 -0.40 0.00 0.00 41.96 40.87 3h83 s TYR 143 CO 0.82 -0.19 -0.09 0.08 -1.57 0.00 0.00 175.55 174.61 3h83 s VAL 144 N 0.63 0.75 -0.10 0.71 1.01 -1.26 -0.78 120.40 121.36 3h83 s VAL 144 Ca -0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 3h83 s VAL 144 Cb -0.13 -0.68 -0.00 0.00 0.00 0.00 0.00 36.38 35.57 3h83 s VAL 144 CO 0.01 0.24 -0.02 1.23 0.00 0.00 0.00 175.10 176.56 3h83 h GLY 145 N 6.46 0.00 -5.41 4.51 0.00 -0.72 -3.49 103.07 104.42 3h83 h GLY 145 Ca -0.33 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.80 3h83 h GLY 145 CO 0.49 0.00 -0.59 -1.36 0.00 0.00 0.00 176.54 175.08 3h83 s PHE 146 N -1.64 -0.10 -0.28 5.60 0.08 0.70 -5.01 117.98 117.34 3h83 s PHE 146 Ca -0.02 0.24 -0.10 0.00 0.12 0.00 0.00 56.93 57.17 3h83 s PHE 146 Cb 0.00 0.03 -0.04 0.00 -0.57 0.00 0.00 43.02 42.44 3h83 s PHE 146 CO 0.03 -0.08 0.16 0.99 -0.10 0.00 0.00 175.22 176.23 3h83 s THR 147 N -0.07 5.03 0.35 0.64 2.01 -1.26 -0.46 115.64 121.87 3h83 s THR 147 Ca -0.01 0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.11 3h83 s THR 147 Cb -0.01 -3.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.04 3h83 s THR 147 CO 0.00 0.25 0.05 -0.69 -0.69 0.00 0.00 174.62 173.54 3h83 s VAL 148 N 1.72 2.66 -0.14 3.82 1.01 0.67 -4.94 120.40 125.19 3h83 s VAL 148 Ca 0.07 -1.91 0.08 0.00 0.00 0.00 0.00 61.98 60.22 3h83 s VAL 148 Cb -0.16 -2.85 -0.15 0.00 0.00 0.00 0.00 36.38 33.23 3h83 s VAL 148 CO 0.09 -0.18 -0.02 -0.81 0.00 0.00 0.00 175.10 174.18 3h83 n PRO 149 N -1.01 1.35 -3.63 2.72 -0.04 -1.26 -4.30 135.00 128.84 3h83 n PRO 149 Ca -0.04 0.03 -0.28 0.00 -0.04 0.00 0.00 63.50 63.17 3h83 n PRO 149 Cb 0.62 -1.34 -0.11 0.00 -0.04 0.00 0.00 33.50 32.63 3h83 n PRO 149 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3h83 s HIS 150 N -2.33 2.07 0.00 0.54 -3.43 -1.26 -4.96 115.29 105.93 3h83 s HIS 150 Ca -0.12 -2.65 0.00 0.00 -0.80 0.00 0.00 55.06 51.49 3h83 s HIS 150 Cb 0.05 -1.71 0.00 0.00 -1.43 0.00 0.00 32.58 29.49 3h83 s HIS 150 CO 0.49 -0.73 0.00 -0.85 -2.00 0.00 0.00 174.74 171.65 3h83 n GLU 151 N 2.75 0.00 -1.69 -0.38 0.28 -1.26 -4.09 120.64 116.25 3h83 n GLU 151 Ca 0.21 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.89 3h83 n GLU 151 Cb 0.40 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.21 3h83 n GLU 151 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3h83 n PHE 152 N -0.57 2.23 -4.09 -1.84 7.35 -1.26 -4.83 117.46 114.45 3h83 n PHE 152 Ca 0.00 -1.45 -0.09 0.00 -0.76 0.00 0.00 57.45 55.16 3h83 n PHE 152 Cb 0.00 -2.25 -0.10 0.00 0.35 0.00 0.00 39.48 37.47 3h83 n PHE 152 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3h83 s VAL 153 N 9.41 0.35 0.14 -2.13 -7.23 -1.26 -4.59 120.40 115.09 3h83 s VAL 153 Ca 0.66 -1.63 0.03 0.00 -1.81 0.00 0.00 61.98 59.23 3h83 s VAL 153 Cb 0.04 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.66 3h83 s VAL 153 CO 0.15 -0.83 -0.08 0.68 -0.31 0.00 0.00 175.10 174.70 3h83 s VAL 154 N -3.23 0.99 0.00 1.32 -7.23 0.75 -4.61 120.40 108.39 3h83 s VAL 154 Ca 0.03 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 3h83 s VAL 154 Cb 0.03 -1.86 0.00 0.00 0.56 0.00 0.00 36.38 35.11 3h83 s VAL 154 CO -0.06 -0.73 0.00 0.61 -0.31 0.00 0.00 175.10 174.61 3h83 n GLY 155 N -0.17 2.57 4.05 2.32 0.00 -0.09 -0.73 105.19 113.13 3h83 n GLY 155 Ca -0.10 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 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 0.53 -1.71 0.00 1.61 9.36 -0.09 -1.38 117.16 125.49 3h83 n TYR 156 Ca 0.00 0.77 0.00 0.00 3.32 0.00 0.00 57.90 61.99 3h83 n TYR 156 Cb 0.00 -3.48 0.00 0.00 -0.63 0.00 0.00 39.34 35.23 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 -1.80 2.02 3.73 2.98 0.00 0.25 -4.53 105.19 107.85 3h83 n GLY 157 Ca -0.17 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 4.48 0.32 0.99 1.43 -0.48 -4.40 118.68 121.02 3h83 s LEU 158 Ca 0.00 1.68 0.10 0.00 -1.03 0.00 0.00 54.13 54.88 3h83 s LEU 158 Cb 0.00 -3.48 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 3h83 s LEU 158 CO 0.00 -0.05 -0.02 1.51 0.23 0.00 0.00 176.35 178.01 3h83 s ASP 159 N 0.05 4.16 -0.15 2.29 -4.77 -1.26 -0.91 116.67 116.07 3h83 s ASP 159 Ca 0.45 -0.94 -0.01 0.00 -3.30 0.00 0.00 52.55 48.76 3h83 s ASP 159 Cb -0.22 -0.56 0.04 0.00 -1.09 0.00 0.00 42.92 41.09 3h83 s ASP 159 CO 0.28 -0.15 -0.05 -0.47 0.70 0.00 0.00 175.17 175.47 3h83 s TYR 160 N -2.48 1.60 -1.42 2.11 5.04 -0.57 -4.81 117.35 116.82 3h83 s TYR 160 Ca 0.33 -0.99 -0.01 0.00 -2.44 0.00 0.00 57.07 53.97 3h83 s TYR 160 Cb -0.02 -1.27 0.01 0.00 0.35 0.00 0.00 41.96 41.02 3h83 s TYR 160 CO 0.19 -0.59 0.41 1.63 -1.34 0.00 0.00 175.55 175.85 3h83 n LYS 161 N 4.90 -3.22 -0.73 4.97 4.76 -1.26 -1.53 118.16 126.04 3h83 n LYS 161 Ca -0.12 0.39 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 3h83 n LYS 161 Cb 0.48 -4.52 0.00 0.00 -1.84 0.00 0.00 35.03 29.15 3h83 n LYS 161 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3h83 n GLU 162 N -4.41 -0.15 -3.45 1.97 -0.58 -1.26 -4.99 120.64 107.77 3h83 n GLU 162 Ca -0.30 0.04 -0.21 0.00 -0.42 0.00 0.00 57.16 56.27 3h83 n GLU 162 Cb 0.68 -3.78 -0.00 0.00 -0.57 0.00 0.00 31.44 27.77 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 -0.68 2.47 0.00 3.49 -0.21 -0.58 -4.69 119.66 119.45 3h83 s GLN 163 Ca 0.00 -1.63 0.00 0.00 0.02 0.00 0.00 55.36 53.75 3h83 s GLN 163 Cb 0.00 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.59 3h83 s GLN 163 CO 0.00 -0.44 0.00 0.66 -2.12 0.00 0.00 175.29 173.39 3h83 n TYR 164 N -1.78 0.00 0.24 0.91 4.01 -1.26 -1.51 117.16 117.77 3h83 n TYR 164 Ca 0.06 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.89 3h83 n TYR 164 Cb 0.62 -0.10 0.61 0.00 -0.31 0.00 0.00 39.34 40.17 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 2.46 0.00 -0.01 -0.72 3.08 -1.83 -2.53 114.38 114.82 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 0.18 0.00 0.27 -1.07 0.00 0.00 179.97 179.35 3h83 n ASN 166 N -3.82 0.46 -4.77 7.04 6.94 -1.26 -0.58 115.26 119.26 3h83 n ASN 166 Ca -0.02 -1.20 -0.41 0.00 -0.02 0.00 0.00 54.58 52.94 3h83 n ASN 166 Cb 0.28 -0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.69 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 -1.94 4.30 0.00 -4.53 1.43 -0.96 -4.81 118.68 112.16 3h83 s LEU 167 Ca 0.43 2.95 0.09 0.00 -1.03 0.00 0.00 54.13 56.56 3h83 s LEU 167 Cb 0.21 -3.72 0.31 0.00 0.03 0.00 0.00 46.19 43.02 3h83 s LEU 167 CO 0.34 -0.86 1.23 -0.81 0.23 0.00 0.00 176.35 176.49 3h83 n PRO 168 N 0.40 1.43 -4.25 1.29 -0.04 -1.26 -0.91 135.00 131.67 3h83 n PRO 168 Ca 0.02 -0.67 -0.16 0.00 -0.04 0.00 0.00 63.50 62.64 3h83 n PRO 168 Cb 0.40 -1.19 -0.09 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.77 1.51 -0.18 0.54 -0.85 -1.26 -4.03 117.35 111.31 3h83 s TYR 169 Ca 0.16 -1.55 -0.04 0.00 -0.52 0.00 0.00 57.07 55.13 3h83 s TYR 169 Cb 0.08 -0.64 -0.02 0.00 0.38 0.00 0.00 41.96 41.76 3h83 s TYR 169 CO 0.12 -0.79 -0.03 0.08 -1.52 0.00 0.00 175.55 173.41 3h83 s VAL 170 N -3.72 3.78 0.35 -3.49 1.01 -0.29 -3.37 120.40 114.66 3h83 s VAL 170 Ca 0.40 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.05 3h83 s VAL 170 Cb 0.04 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 3h83 s VAL 170 CO 0.21 0.45 0.20 -0.83 0.00 0.00 0.00 175.10 175.14 3h83 s GLY 171 N 0.83 2.35 -0.10 4.51 0.00 0.09 -0.21 107.32 114.79 3h83 s GLY 171 Ca -0.01 -1.71 0.01 0.00 0.00 0.00 0.00 44.72 43.02 3h83 s GLY 171 CO 0.02 -1.61 -0.14 0.14 0.00 0.00 0.00 173.10 171.51 3h83 s VAL 172 N -3.42 3.04 0.59 1.40 1.01 -0.32 -0.17 120.40 122.52 3h83 s VAL 172 Ca 0.34 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 3h83 s VAL 172 Cb 0.03 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3h83 s VAL 172 CO 0.21 0.55 1.06 -0.76 0.00 0.00 0.00 175.10 176.16 3h83 s LEU 173 N -0.03 3.51 0.45 3.92 1.43 -1.26 0.08 118.68 126.77 3h83 s LEU 173 Ca -0.03 1.85 -0.23 0.00 -1.03 0.00 0.00 54.13 54.69 3h83 s LEU 173 Cb -0.14 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 41.46 3h83 s LEU 173 CO 0.04 -1.20 1.12 -0.54 0.23 0.00 0.00 176.35 176.00 3h83 s LYS 174 N -4.02 3.86 0.41 1.70 1.02 0.42 -4.41 119.74 118.73 3h83 s LYS 174 Ca 0.64 1.65 0.14 0.00 0.02 0.00 0.00 55.97 58.42 3h83 s LYS 174 Cb -0.17 -2.40 1.01 0.00 -0.52 0.00 0.00 37.83 35.75 3h83 s LYS 174 CO 0.36 -0.43 1.92 -1.35 -0.92 0.00 0.00 175.35 174.93 3h83 h PRO 175 N 2.10 0.45 0.00 -1.68 0.11 -1.96 -1.08 132.00 129.95 3h83 h PRO 175 Ca -0.49 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3h83 h PRO 175 Cb 1.24 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3h83 h PRO 175 CO 0.61 0.30 -0.12 0.66 -0.21 0.00 0.00 178.00 179.23 3h83 h SER 176 N 0.47 0.00 -0.64 -2.05 4.64 -1.93 -0.91 113.55 113.14 3h83 h SER 176 Ca 0.37 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.65 3h83 h SER 176 Cb 0.79 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.86 3h83 h SER 176 CO -0.13 0.12 0.22 0.58 -0.87 0.00 0.00 176.83 176.75 3h83 h VAL 177 N 0.00 1.24 -0.00 0.95 2.07 -1.55 -3.32 116.25 115.64 3h83 h VAL 177 Ca -0.00 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3h83 h VAL 177 Cb 0.35 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3h83 h VAL 177 CO 0.02 0.31 -0.40 0.00 0.02 0.00 0.00 177.57 177.53 3h83 n TYR 178 N -4.38 0.00 -0.72 1.57 4.11 -1.01 -5.11 117.16 111.62 3h83 n TYR 178 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.94 3h83 n TYR 178 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.54 3h83 n TYR 178 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73