#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h49 n ASP 5 N 0.00 1.93 -4.19 1.96 8.00 -0.24 -3.89 116.55 120.12 3h49 n ASP 5 Ca 0.00 0.34 -0.24 0.00 0.71 0.00 0.00 54.79 55.60 3h49 n ASP 5 Cb 0.00 -0.86 -0.15 0.00 -0.02 0.00 0.00 41.12 40.10 3h49 n ASP 5 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3h49 s VAL 6 N -2.46 1.42 -0.21 2.53 1.01 -0.84 -1.02 120.40 120.83 3h49 s VAL 6 Ca -0.34 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 60.73 3h49 s VAL 6 Cb 0.11 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.30 3h49 s VAL 6 CO 0.55 0.29 -0.13 -0.63 0.00 0.00 0.00 175.10 175.18 3h49 s ILE 7 N -0.57 2.56 -0.22 2.22 1.01 -0.45 -0.75 121.20 125.00 3h49 s ILE 7 Ca 0.06 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 3h49 s ILE 7 Cb -0.07 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 3h49 s ILE 7 CO 0.00 0.40 0.09 0.00 0.00 0.00 0.00 174.94 175.43 3h49 s ILE 9 N 0.93 3.28 0.00 0.00 1.01 -0.36 -4.41 121.20 121.66 3h49 s ILE 9 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.14 3h49 s ILE 9 Cb -0.14 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.90 3h49 s ILE 9 CO 0.03 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.06 3h49 n GLY 10 N 4.07 0.97 3.68 6.18 0.00 -1.26 -0.86 105.19 117.96 3h49 n GLY 10 Ca -0.18 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.37 3h49 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h49 s ALA 11 N -2.00 3.51 -0.18 4.61 0.00 -1.26 -4.32 121.76 122.11 3h49 s ALA 11 Ca 0.00 0.34 -0.15 0.00 0.00 0.00 0.00 51.96 52.15 3h49 s ALA 11 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3h49 s ALA 11 CO 0.00 -0.78 0.33 0.00 0.00 0.00 0.00 175.76 175.31 3h49 s ALA 12 N 2.46 3.57 0.37 0.00 0.00 -1.26 -4.44 121.76 122.46 3h49 s ALA 12 Ca 0.48 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.98 3h49 s ALA 12 Cb -0.18 -2.49 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 3h49 s ALA 12 CO 0.14 -0.09 0.16 0.96 0.00 0.00 0.00 175.76 176.94 3h49 s ILE 13 N 0.86 0.43 -0.06 0.00 -4.36 -0.90 -4.72 121.20 112.45 3h49 s ILE 13 Ca 0.17 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.61 3h49 s ILE 13 Cb -0.14 -2.41 -0.01 0.00 1.25 0.00 0.00 42.46 41.16 3h49 s ILE 13 CO 0.06 0.00 -0.23 -0.69 0.24 0.00 0.00 174.94 174.32 3h49 s VAL 14 N -3.33 1.91 -0.04 8.37 1.01 -0.63 -0.54 120.40 127.15 3h49 s VAL 14 Ca 0.29 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.31 3h49 s VAL 14 Cb 0.03 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3h49 s VAL 14 CO 0.18 0.53 -0.05 -1.81 0.00 0.00 0.00 175.10 173.95 3h49 s ASP 15 N -0.00 4.77 -0.40 3.32 1.01 0.16 -0.05 116.67 125.49 3h49 s ASP 15 Ca -0.07 -0.04 0.01 0.00 0.71 0.00 0.00 52.55 53.16 3h49 s ASP 15 Cb -0.14 -1.20 0.12 0.00 1.01 0.00 0.00 42.92 42.72 3h49 s ASP 15 CO 0.04 0.33 0.19 -0.63 0.21 0.00 0.00 175.17 175.31 3h49 s ILE 16 N -0.92 1.29 0.09 0.77 1.01 0.06 -0.92 121.20 122.58 3h49 s ILE 16 Ca 0.15 -2.21 -0.30 0.00 0.00 0.00 0.00 60.65 58.29 3h49 s ILE 16 Cb -0.11 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.38 3h49 s ILE 16 CO 0.05 -0.82 0.97 -2.16 0.00 0.00 0.00 174.94 172.98 3h49 s PRO 17 N 0.75 4.67 -0.29 2.79 0.04 -1.26 -0.93 135.00 140.77 3h49 s PRO 17 Ca 0.15 1.45 -0.04 0.00 0.04 0.00 0.00 61.00 62.60 3h49 s PRO 17 Cb -0.22 -3.39 0.03 0.00 0.04 0.00 0.00 34.50 30.95 3h49 s PRO 17 CO -0.07 0.16 0.03 -0.51 0.04 0.00 0.00 177.00 176.65 3h49 s LEU 18 N 0.18 3.73 -0.09 -3.56 1.43 0.11 -4.67 118.68 115.81 3h49 s LEU 18 Ca 0.48 -0.92 -0.05 0.00 -1.03 0.00 0.00 54.13 52.61 3h49 s LEU 18 Cb -0.23 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.24 3h49 s LEU 18 CO 0.30 -0.20 0.21 -1.58 0.23 0.00 0.00 176.35 175.30 3h49 s GLN 19 N 1.39 0.19 -0.08 1.70 0.74 -1.26 -0.68 119.66 121.66 3h49 s GLN 19 Ca -0.00 0.42 -0.10 0.00 0.05 0.00 0.00 55.36 55.73 3h49 s GLN 19 Cb -0.18 -0.06 -0.05 0.00 1.10 0.00 0.00 33.01 33.82 3h49 s GLN 19 CO -0.00 -0.12 0.24 -1.25 -0.55 0.00 0.00 175.29 173.60 3h49 s PRO 20 N 0.89 3.61 0.23 1.67 0.04 -1.26 -4.66 135.00 135.52 3h49 s PRO 20 Ca -0.06 0.06 0.04 0.00 0.04 0.00 0.00 61.00 61.08 3h49 s PRO 20 Cb -0.08 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 3h49 s PRO 20 CO -0.05 0.75 -0.01 0.14 0.04 0.00 0.00 177.00 177.86 3h49 s VAL 21 N -1.05 1.10 0.39 -0.36 -7.23 0.62 -4.98 120.40 108.90 3h49 s VAL 21 Ca 0.18 -2.04 -0.14 0.00 -1.81 0.00 0.00 61.98 58.16 3h49 s VAL 21 Cb -0.14 -2.33 0.06 0.00 0.56 0.00 0.00 36.38 34.53 3h49 s VAL 21 CO 0.07 -0.34 0.78 -0.94 -0.31 0.00 0.00 175.10 174.36 3h49 s SER 22 N -3.31 0.08 0.39 4.85 1.04 -1.26 -4.39 113.70 111.10 3h49 s SER 22 Ca 0.28 -1.22 0.24 0.00 0.48 0.00 0.00 55.95 55.73 3h49 s SER 22 Cb 0.05 0.86 1.31 0.00 0.10 0.00 0.00 66.02 68.34 3h49 s SER 22 CO 0.09 -1.71 1.72 0.11 0.98 0.00 0.00 173.24 174.43 3h49 h LYS 23 N 2.00 0.00 0.00 4.02 1.57 -2.03 -1.88 116.57 120.25 3h49 h LYS 23 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3h49 h LYS 23 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3h49 h LYS 23 CO 0.42 0.00 0.00 -0.97 -0.57 0.00 0.00 179.45 178.33 3h49 h ASN 24 N 0.00 0.00 0.27 0.86 -1.24 -2.01 -2.06 115.58 111.40 3h49 h ASN 24 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 3h49 h ASN 24 Cb 0.12 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.17 3h49 h ASN 24 CO 0.00 0.00 -0.03 0.16 -1.29 0.00 0.00 177.43 176.27 3h49 h ILE 25 N 0.00 0.23 0.00 2.57 3.07 -1.71 -1.01 117.51 120.66 3h49 h ILE 25 Ca 0.00 -0.23 0.00 0.00 1.55 0.00 0.00 64.86 66.18 3h49 h ILE 25 Cb 0.13 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 37.86 3h49 h ILE 25 CO 0.00 0.03 -0.50 0.49 -1.05 0.00 0.00 178.15 177.12 3h49 n PHE 26 N -3.35 0.15 0.09 0.16 3.72 -0.78 -4.05 117.46 113.41 3h49 n PHE 26 Ca -0.02 0.04 0.09 0.00 -0.05 0.00 0.00 57.45 57.51 3h49 n PHE 26 Cb 0.16 -0.38 -0.01 0.00 -0.94 0.00 0.00 39.48 38.30 3h49 n PHE 26 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3h49 h ASP 27 N 0.00 0.00 -2.07 4.37 3.32 -1.32 -3.47 116.42 117.24 3h49 h ASP 27 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3h49 h ASP 27 Cb 0.57 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.05 3h49 h ASP 27 CO 0.00 0.12 -0.56 0.68 -1.72 0.00 0.00 179.24 177.76 3h49 s VAL 28 N -3.27 3.58 0.14 -1.35 -7.23 -1.18 -5.04 120.40 106.05 3h49 s VAL 28 Ca -0.01 -1.67 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 3h49 s VAL 28 Cb 0.09 -3.06 -0.19 0.00 0.56 0.00 0.00 36.38 33.79 3h49 s VAL 28 CO 0.79 -0.29 1.31 0.44 -0.31 0.00 0.00 175.10 177.04 3h49 h ASP 29 N 1.63 0.23 -3.55 4.85 3.32 -1.91 -3.45 116.42 117.53 3h49 h ASP 29 Ca -0.45 -0.21 -0.27 0.00 0.02 0.00 0.00 57.03 56.11 3h49 h ASP 29 Cb 1.25 -0.07 -0.32 0.00 0.22 0.00 0.00 39.33 40.40 3h49 h ASP 29 CO 0.61 1.07 -0.70 -0.55 -1.72 0.00 0.00 179.24 177.96 3h49 s SER 30 N -6.93 0.02 -0.29 6.45 0.15 -1.26 -5.12 113.70 106.72 3h49 s SER 30 Ca -0.02 0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.75 3h49 s SER 30 Cb 0.09 0.00 0.08 0.00 -1.71 0.00 0.00 66.02 64.48 3h49 s SER 30 CO 0.84 -0.11 -0.04 -0.47 1.20 0.00 0.00 173.24 174.66 3h49 s TYR 31 N 0.85 3.29 0.15 3.44 5.04 -1.26 -5.11 117.35 123.75 3h49 s TYR 31 Ca -0.07 -2.48 -0.28 0.00 -2.44 0.00 0.00 57.07 51.80 3h49 s TYR 31 Cb -0.10 -2.24 -0.07 0.00 0.35 0.00 0.00 41.96 39.90 3h49 s TYR 31 CO -0.03 -0.89 0.87 -1.25 -1.34 0.00 0.00 175.55 172.91 3h49 s PRO 32 N 1.08 4.66 0.29 4.97 0.04 -1.26 -5.07 135.00 139.72 3h49 s PRO 32 Ca -0.01 1.30 0.10 0.00 0.04 0.00 0.00 61.00 62.44 3h49 s PRO 32 Cb -0.19 -3.32 -0.06 0.00 0.04 0.00 0.00 34.50 30.97 3h49 s PRO 32 CO -0.07 0.40 -0.15 -0.51 0.04 0.00 0.00 177.00 176.71 3h49 s LEU 33 N -0.63 2.62 0.26 -3.56 1.43 -1.26 -5.03 118.68 112.52 3h49 s LEU 33 Ca 0.41 -1.10 0.25 0.00 -1.03 0.00 0.00 54.13 52.67 3h49 s LEU 33 Cb -0.23 -0.99 0.87 0.00 0.03 0.00 0.00 46.19 45.87 3h49 s LEU 33 CO 0.28 -0.09 1.75 -0.33 0.23 0.00 0.00 176.35 178.20 3h49 h GLU 34 N 2.22 0.00 -1.39 1.70 4.39 -1.98 -3.46 114.58 116.06 3h49 h GLU 34 Ca -0.40 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.43 3h49 h GLU 34 Cb 1.25 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 29.64 3h49 h GLU 34 CO 0.64 0.00 0.67 0.50 -1.16 0.00 0.00 179.01 179.66 3h49 s ARG 35 N -3.22 0.39 -0.20 2.33 3.52 -1.26 -5.12 118.95 115.38 3h49 s ARG 35 Ca 0.07 0.18 -0.04 0.00 -0.13 0.00 0.00 55.73 55.82 3h49 s ARG 35 Cb 0.11 0.18 0.08 0.00 -1.56 0.00 0.00 34.95 33.76 3h49 s ARG 35 CO 0.52 -0.10 0.15 0.42 -0.81 0.00 0.00 175.30 175.49 3h49 s ILE 36 N -0.72 -0.19 0.00 4.11 1.01 -1.26 -4.75 121.20 119.40 3h49 s ILE 36 Ca 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.47 3h49 s ILE 36 Cb -0.02 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.79 3h49 s ILE 36 CO -0.04 -0.30 0.00 0.00 0.00 0.00 0.00 174.94 174.60 3h49 n ALA 37 N 5.29 0.00 0.00 9.38 0.00 -1.26 -5.13 120.51 128.80 3h49 n ALA 37 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3h49 n ALA 37 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 3h49 n ALA 37 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h49 n THR 39 N 0.00 0.00 -2.33 0.00 -2.24 -0.09 -4.27 114.28 105.34 3h49 n THR 39 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 3h49 n THR 39 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 3h49 n THR 39 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3h49 s THR 40 N -1.93 4.31 0.33 4.28 -4.23 -1.26 0.40 115.64 117.55 3h49 s THR 40 Ca 0.00 1.14 -0.05 0.00 -1.18 0.00 0.00 61.69 61.60 3h49 s THR 40 Cb 0.00 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.23 3h49 s THR 40 CO 0.00 -0.61 0.49 -0.83 -0.54 0.00 0.00 174.62 173.14 3h49 s GLY 41 N -2.91 1.28 0.00 3.99 0.00 0.30 -4.66 107.32 105.32 3h49 s GLY 41 Ca 0.61 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.94 3h49 s GLY 41 CO 0.31 -0.91 0.00 0.61 0.00 0.00 0.00 173.10 173.12 3h49 n GLY 42 N -0.53 1.92 0.34 0.20 0.00 -1.26 -2.11 105.19 103.75 3h49 n GLY 42 Ca -0.00 -1.52 0.06 0.00 0.00 0.00 0.00 46.02 44.56 3h49 n GLY 42 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h49 h ASP 43 N 0.00 0.85 0.27 1.61 3.32 -1.87 -2.17 116.42 118.42 3h49 h ASP 43 Ca 0.00 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3h49 h ASP 43 Cb 0.00 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3h49 h ASP 43 CO 0.00 0.46 -0.13 0.00 -1.72 0.00 0.00 179.24 177.85 3h49 h ALA 44 N 1.51 -0.36 -0.11 3.45 0.00 -1.78 -0.14 119.26 121.83 3h49 h ALA 44 Ca 0.46 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.15 3h49 h ALA 44 Cb 0.44 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3h49 h ALA 44 CO -0.26 -0.71 -0.55 0.97 0.00 0.00 0.00 179.25 178.70 3h49 h ILE 45 N -0.36 1.36 -0.34 0.00 2.10 -1.79 -1.41 117.51 117.06 3h49 h ILE 45 Ca -0.03 -1.85 -0.02 0.00 1.08 0.00 0.00 64.86 64.03 3h49 h ILE 45 Cb 0.28 1.88 -0.02 0.00 -1.09 0.00 0.00 36.82 37.88 3h49 h ILE 45 CO 0.06 0.56 0.13 0.78 -1.08 0.00 0.00 178.15 178.59 3h49 h ASN 46 N 0.25 0.48 -0.27 2.19 2.35 -1.26 0.21 115.58 119.54 3h49 h ASN 46 Ca 0.00 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.55 3h49 h ASN 46 Cb 1.05 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.28 3h49 h ASN 46 CO 0.09 0.53 0.09 -0.33 -1.65 0.00 0.00 177.43 176.16 3h49 h GLU 47 N 0.41 0.42 -0.77 0.81 5.08 -0.91 -1.15 114.58 118.46 3h49 h GLU 47 Ca 0.11 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3h49 h GLU 47 Cb 0.21 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 3h49 h GLU 47 CO -0.01 0.48 0.51 0.00 -1.00 0.00 0.00 179.01 178.99 3h49 h ALA 48 N 0.92 1.59 0.04 3.43 0.00 -1.06 -0.13 119.26 124.06 3h49 h ALA 48 Ca 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3h49 h ALA 48 Cb 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3h49 h ALA 48 CO -0.00 0.31 -0.02 1.15 0.00 0.00 0.00 179.25 180.68 3h49 h THR 49 N 0.89 1.19 -0.17 0.00 2.02 -0.50 -2.04 112.91 114.30 3h49 h THR 49 Ca 0.32 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 3h49 h THR 49 Cb 0.15 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 3h49 h THR 49 CO -0.10 0.19 0.03 0.40 0.37 0.00 0.00 175.52 176.41 3h49 h ILE 50 N -0.39 1.21 -0.83 3.11 2.04 -0.91 -1.34 117.51 120.40 3h49 h ILE 50 Ca -0.01 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.21 3h49 h ILE 50 Cb 0.36 1.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 3h49 h ILE 50 CO 0.01 0.21 0.53 0.40 0.00 0.00 0.00 178.15 179.30 3h49 h ILE 51 N 0.07 1.11 -0.59 -0.67 2.04 -1.10 -0.14 117.51 118.23 3h49 h ILE 51 Ca 0.05 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 3h49 h ILE 51 Cb 0.29 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 3h49 h ILE 51 CO 0.00 0.19 0.10 0.28 0.00 0.00 0.00 178.15 178.72 3h49 h SER 52 N 1.02 0.91 0.82 1.72 0.02 -1.20 -1.91 113.55 114.93 3h49 h SER 52 Ca 0.34 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 61.06 3h49 h SER 52 Cb 0.04 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.34 3h49 h SER 52 CO -0.13 0.91 -0.15 0.03 -1.14 0.00 0.00 176.83 176.35 3h49 h ARG 53 N 0.90 0.00 -0.03 3.45 3.08 -0.39 -1.59 114.38 119.80 3h49 h ARG 53 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 3h49 h ARG 53 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3h49 h ARG 53 CO 0.01 0.15 0.00 1.28 -1.07 0.00 0.00 179.97 180.34 3h49 n LEU 54 N -3.36 0.72 0.00 3.04 4.77 -0.14 -4.02 117.00 118.01 3h49 n LEU 54 Ca -0.00 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 3h49 n LEU 54 Cb 0.36 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 3h49 n LEU 54 CO 0.31 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3h49 n GLY 55 N 1.03 0.90 3.27 -0.72 0.00 -0.60 -4.79 105.19 104.27 3h49 n GLY 55 Ca 0.19 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 3h49 n GLY 55 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h49 s HIS 56 N -2.00 2.83 0.13 1.61 3.76 -0.90 -5.02 115.29 115.69 3h49 s HIS 56 Ca 0.00 -1.05 -0.31 0.00 -0.15 0.00 0.00 55.06 53.55 3h49 s HIS 56 Cb 0.00 -1.94 -0.10 0.00 1.11 0.00 0.00 32.58 31.65 3h49 s HIS 56 CO 0.00 -0.50 1.77 0.50 -0.85 0.00 0.00 174.74 175.66 3h49 s ARG 57 N 0.97 4.15 0.08 1.40 3.52 -1.26 -3.61 118.95 124.20 3h49 s ARG 57 Ca -0.02 2.54 0.06 0.00 -0.13 0.00 0.00 55.73 58.18 3h49 s ARG 57 Cb -0.15 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 3h49 s ARG 57 CO -0.02 -0.80 -0.16 0.99 -0.81 0.00 0.00 175.30 174.50 3h49 s THR 58 N 2.43 1.29 0.00 4.11 2.01 -1.26 -1.08 115.64 123.14 3h49 s THR 58 Ca 0.78 -1.33 0.08 0.00 0.31 0.00 0.00 61.69 61.53 3h49 s THR 58 Cb -0.45 -1.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.82 3h49 s THR 58 CO 0.35 -0.14 -0.26 0.00 -0.69 0.00 0.00 174.62 173.88 3h49 s ALA 59 N -1.18 2.15 0.13 7.40 0.00 0.07 -0.88 121.76 129.44 3h49 s ALA 59 Ca 0.01 -1.15 0.01 0.00 0.00 0.00 0.00 51.96 50.83 3h49 s ALA 59 Cb -0.10 -0.52 0.01 0.00 0.00 0.00 0.00 23.12 22.52 3h49 s ALA 59 CO 0.03 0.52 0.07 -0.11 0.00 0.00 0.00 175.76 176.27 3h49 n LEU 60 N 2.24 0.00 0.00 0.00 7.94 0.10 -0.92 117.00 126.36 3h49 n LEU 60 Ca -0.16 -0.68 0.00 0.00 -1.11 0.00 0.00 56.01 54.06 3h49 n LEU 60 Cb 0.51 0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.48 3h49 n LEU 60 CO 0.23 -0.28 0.00 -0.24 -1.11 0.00 0.00 177.39 175.99 3h49 n SER 62 N -1.78 0.00 -3.71 1.96 2.88 -1.26 -3.84 113.62 107.87 3h49 n SER 62 Ca -0.01 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.35 3h49 n SER 62 Cb 0.15 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.44 3h49 n SER 62 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3h49 s ARG 63 N -1.56 -0.05 0.23 -1.46 3.52 -1.26 -2.26 118.95 116.11 3h49 s ARG 63 Ca 0.00 0.32 0.02 0.00 -0.13 0.00 0.00 55.73 55.94 3h49 s ARG 63 Cb 0.00 -0.38 -0.05 0.00 -1.56 0.00 0.00 34.95 32.96 3h49 s ARG 63 CO 0.00 -0.26 0.05 0.96 -0.81 0.00 0.00 175.30 175.24 3h49 s ILE 64 N 1.73 0.66 0.76 4.11 -4.36 -0.25 -4.70 121.20 119.14 3h49 s ILE 64 Ca -0.01 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.33 3h49 s ILE 64 Cb -0.12 -2.42 0.12 0.00 1.25 0.00 0.00 42.46 41.29 3h49 s ILE 64 CO -0.03 -0.20 1.05 -0.83 0.24 0.00 0.00 174.94 175.16 3h49 s GLY 65 N -3.26 1.76 -1.12 6.27 0.00 -1.26 0.27 107.32 109.98 3h49 s GLY 65 Ca 0.32 -1.44 -0.06 0.00 0.00 0.00 0.00 44.72 43.54 3h49 s GLY 65 CO 0.10 -0.88 1.49 0.28 0.00 0.00 0.00 173.10 174.08 3h49 n LYS 66 N -3.01 4.21 -3.44 2.90 5.02 -1.19 -4.46 118.16 118.19 3h49 n LYS 66 Ca 0.13 -4.39 -0.12 0.00 -2.02 0.00 0.00 58.31 51.91 3h49 n LYS 66 Cb 0.60 -2.59 -0.04 0.00 -0.02 0.00 0.00 35.03 32.98 3h49 n LYS 66 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3h49 n ASP 67 N 1.96 -0.64 -0.20 4.39 5.68 -1.26 -4.99 116.55 121.49 3h49 n ASP 67 Ca 0.28 -2.45 -0.03 0.00 -0.50 0.00 0.00 54.79 52.09 3h49 n ASP 67 Cb 0.35 1.35 0.07 0.00 -1.14 0.00 0.00 41.12 41.75 3h49 n ASP 67 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3h49 h ALA 68 N 1.77 0.76 -0.67 2.12 0.00 -1.99 0.11 119.26 121.36 3h49 h ALA 68 Ca -0.17 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3h49 h ALA 68 Cb 0.83 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 3h49 h ALA 68 CO 0.24 -0.02 0.14 0.00 0.00 0.00 0.00 179.25 179.62 3h49 h ALA 69 N 1.31 0.98 -0.62 0.00 0.00 -1.94 -1.21 119.26 117.77 3h49 h ALA 69 Ca 0.26 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3h49 h ALA 69 Cb 0.15 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3h49 h ALA 69 CO -0.16 0.65 0.23 0.78 0.00 0.00 0.00 179.25 180.75 3h49 h GLY 70 N 1.06 1.01 1.24 0.00 0.00 -1.57 -2.05 103.07 102.77 3h49 h GLY 70 Ca 0.21 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3h49 h GLY 70 CO 0.01 0.53 0.21 -1.61 0.00 0.00 0.00 176.54 175.67 3h49 h GLN 71 N 0.87 0.96 -0.72 4.80 5.75 -0.44 -1.15 115.11 125.18 3h49 h GLN 71 Ca 0.20 -0.18 0.01 0.00 -0.15 0.00 0.00 58.65 58.53 3h49 h GLN 71 Cb 0.23 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.59 3h49 h GLN 71 CO -0.01 0.82 0.47 0.35 -2.65 0.00 0.00 178.83 177.81 3h49 h PHE 72 N 0.93 0.92 -0.42 3.99 3.57 -0.78 0.28 116.94 125.43 3h49 h PHE 72 Ca 0.21 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 3h49 h PHE 72 Cb 0.25 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 3h49 h PHE 72 CO 0.02 0.59 0.11 0.82 -2.23 0.00 0.00 178.31 177.61 3h49 h ILE 73 N 0.98 1.23 -0.23 1.41 2.04 -0.78 -0.81 117.51 121.35 3h49 h ILE 73 Ca 0.26 -0.78 -0.10 0.00 1.00 0.00 0.00 64.86 65.25 3h49 h ILE 73 Cb -0.10 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3h49 h ILE 73 CO -0.06 0.28 -0.27 -0.07 0.00 0.00 0.00 178.15 178.03 3h49 h LEU 74 N 0.55 0.45 -0.34 1.44 3.38 -0.79 -1.46 115.31 118.53 3h49 h LEU 74 Ca 0.13 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3h49 h LEU 74 Cb 0.30 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3h49 h LEU 74 CO 0.00 0.71 -0.05 0.44 0.09 0.00 0.00 178.44 179.64 3h49 h ASP 75 N 0.39 0.63 -0.50 -0.43 3.32 -0.72 -1.48 116.42 117.64 3h49 h ASP 75 Ca 0.06 -0.34 0.01 0.00 0.02 0.00 0.00 57.03 56.77 3h49 h ASP 75 Cb 0.68 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 3h49 h ASP 75 CO 0.05 0.82 0.33 -0.74 -1.72 0.00 0.00 179.24 177.98 3h49 h HIS 76 N 0.43 0.62 -0.88 4.55 2.76 -0.92 -1.00 115.15 120.71 3h49 h HIS 76 Ca 0.09 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 3h49 h HIS 76 Cb 0.53 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.24 3h49 h HIS 76 CO 0.04 0.38 0.47 0.00 -1.30 0.00 0.00 177.93 177.53 3h49 h ARG 78 N 1.24 0.25 0.00 0.00 3.08 -0.64 0.47 114.38 118.77 3h49 h ARG 78 Ca 0.31 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 3h49 h ARG 78 Cb 0.05 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3h49 h ARG 78 CO -0.05 0.26 -0.12 0.87 -1.07 0.00 0.00 179.97 179.86 3h49 h LYS 79 N 0.17 0.00 -0.02 0.04 1.57 -0.84 -1.59 116.57 115.91 3h49 h LYS 79 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3h49 h LYS 79 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3h49 h LYS 79 CO -0.01 0.12 -0.25 0.39 -0.57 0.00 0.00 179.45 179.12 3h49 n GLU 80 N -4.02 1.38 -3.27 3.15 -0.58 -0.60 -4.96 120.64 111.74 3h49 n GLU 80 Ca -0.02 -1.02 -0.19 0.00 -0.42 0.00 0.00 57.16 55.51 3h49 n GLU 80 Cb 0.20 -1.48 0.06 0.00 -0.57 0.00 0.00 31.44 29.65 3h49 n GLU 80 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3h49 n ASN 81 N 0.08 -5.52 -4.68 1.62 5.15 0.40 -4.80 115.26 107.50 3h49 n ASN 81 Ca 0.12 -0.39 -0.40 0.00 -0.60 0.00 0.00 54.58 53.32 3h49 n ASN 81 Cb 0.44 -4.19 -0.05 0.00 -0.53 0.00 0.00 39.78 35.45 3h49 n ASN 81 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3h49 s ILE 82 N -3.21 5.03 0.05 -1.44 1.01 0.14 -4.68 121.20 118.10 3h49 s ILE 82 Ca 0.42 1.25 -0.30 0.00 0.00 0.00 0.00 60.65 62.01 3h49 s ILE 82 Cb -0.19 -3.96 -0.08 0.00 0.01 0.00 0.00 42.46 38.24 3h49 s ILE 82 CO 0.52 0.16 1.70 -0.62 0.00 0.00 0.00 174.94 176.70 3h49 s ASP 83 N 1.05 6.58 -0.12 3.58 -1.08 -0.06 -4.52 116.67 122.10 3h49 s ASP 83 Ca 0.31 2.49 0.16 0.00 -0.52 0.00 0.00 52.55 54.98 3h49 s ASP 83 Cb -0.16 -2.56 0.27 0.00 -1.46 0.00 0.00 42.92 39.02 3h49 s ASP 83 CO 0.12 -0.92 1.14 2.30 0.52 0.00 0.00 175.17 178.33 3h49 n ILE 84 N 4.93 1.66 0.25 4.11 -5.35 -1.26 -0.72 119.36 122.99 3h49 n ILE 84 Ca 0.17 -2.09 0.08 0.00 -0.27 0.00 0.00 62.75 60.64 3h49 n ILE 84 Cb 0.41 -0.13 0.62 0.00 -1.74 0.00 0.00 39.64 38.80 3h49 n ILE 84 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3h49 h GLN 85 N 0.14 0.00 -0.00 6.28 4.20 -1.90 -2.13 115.11 121.70 3h49 h GLN 85 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h49 h GLN 85 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 3h49 h GLN 85 CO 0.00 0.04 -0.53 0.43 -0.67 0.00 0.00 178.83 178.10 3h49 n SER 86 N -4.47 0.83 -4.62 1.46 7.64 -1.26 -4.91 113.62 108.30 3h49 n SER 86 Ca -0.03 -0.64 -0.43 0.00 1.01 0.00 0.00 58.87 58.79 3h49 n SER 86 Cb 0.12 0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 3h49 n SER 86 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3h49 s LEU 87 N -2.84 3.75 -0.02 -3.43 2.96 -0.80 -4.63 118.68 113.67 3h49 s LEU 87 Ca 0.14 1.87 -0.30 0.00 -0.22 0.00 0.00 54.13 55.62 3h49 s LEU 87 Cb 0.18 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 3h49 s LEU 87 CO 0.68 -1.57 1.10 -0.75 -1.32 0.00 0.00 176.35 174.49 3h49 s LYS 88 N 5.45 4.44 -0.23 1.98 2.47 -0.96 -4.98 119.74 127.92 3h49 s LYS 88 Ca 0.87 1.58 -0.05 0.00 -1.56 0.00 0.00 55.97 56.81 3h49 s LYS 88 Cb -0.31 -3.48 -0.02 0.00 -1.46 0.00 0.00 37.83 32.57 3h49 s LYS 88 CO 0.35 -0.27 0.01 -0.65 0.16 0.00 0.00 175.35 174.94 3h49 s GLN 89 N 1.57 3.48 -0.23 4.03 -0.21 -1.26 -1.09 119.66 125.95 3h49 s GLN 89 Ca 0.54 -0.57 -0.02 0.00 0.02 0.00 0.00 55.36 55.33 3h49 s GLN 89 Cb -0.24 -3.15 0.01 0.00 1.00 0.00 0.00 33.01 30.64 3h49 s GLN 89 CO 0.25 -0.20 -0.06 0.34 -2.12 0.00 0.00 175.29 173.49 3h49 s ASP 90 N 1.53 4.23 0.28 5.90 -1.08 0.14 -4.88 116.67 122.79 3h49 s ASP 90 Ca 0.06 -0.68 0.25 0.00 -0.52 0.00 0.00 52.55 51.66 3h49 s ASP 90 Cb -0.15 -1.68 0.99 0.00 -1.46 0.00 0.00 42.92 40.62 3h49 s ASP 90 CO -0.00 -0.08 1.74 1.62 0.52 0.00 0.00 175.17 178.96 3h49 h VAL 91 N 5.95 0.00 -0.15 1.11 3.04 -1.92 -2.97 116.25 121.32 3h49 h VAL 91 Ca -0.37 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 3h49 h VAL 91 Cb 1.13 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.48 3h49 h VAL 91 CO 0.59 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 175.61 3h49 n SER 92 N -2.32 1.59 -4.21 3.17 3.41 -1.26 -4.82 113.62 109.19 3h49 n SER 92 Ca 0.02 -1.68 -0.13 0.00 -0.26 0.00 0.00 58.87 56.82 3h49 n SER 92 Cb 0.26 -0.09 -0.10 0.00 -0.26 0.00 0.00 64.21 64.01 3h49 n SER 92 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3h49 s ILE 93 N -1.81 0.98 -0.16 -1.33 -4.36 -1.13 -5.14 121.20 108.25 3h49 s ILE 93 Ca 0.33 -1.91 -0.08 0.00 -0.26 0.00 0.00 60.65 58.72 3h49 s ILE 93 Cb 0.18 -1.67 -0.04 0.00 1.25 0.00 0.00 42.46 42.17 3h49 s ILE 93 CO 0.27 -0.73 0.12 -1.81 0.24 0.00 0.00 174.94 173.03 3h49 s ASP 94 N -2.93 6.16 0.29 4.36 1.01 -1.26 -4.23 116.67 120.07 3h49 s ASP 94 Ca 0.12 0.30 -0.30 0.00 0.71 0.00 0.00 52.55 53.38 3h49 s ASP 94 Cb 0.02 -2.04 -0.11 0.00 1.01 0.00 0.00 42.92 41.80 3h49 s ASP 94 CO -0.01 0.27 1.52 -0.89 0.21 0.00 0.00 175.17 176.27 3h49 s THR 95 N -0.22 2.27 0.14 -1.27 2.01 -1.26 -0.96 115.64 116.34 3h49 s THR 95 Ca 0.10 0.23 -0.31 0.00 0.31 0.00 0.00 61.69 62.03 3h49 s THR 95 Cb -0.12 -3.15 -0.10 0.00 0.01 0.00 0.00 72.50 69.14 3h49 s THR 95 CO 0.01 0.04 1.77 -0.44 -0.69 0.00 0.00 174.62 175.30 3h49 s SER 96 N 0.31 6.45 -0.16 3.53 0.01 -1.26 -4.65 113.70 117.94 3h49 s SER 96 Ca 0.60 2.73 0.01 0.00 1.31 0.00 0.00 55.95 60.60 3h49 s SER 96 Cb -0.45 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.22 3h49 s SER 96 CO 0.49 -0.97 -0.18 -0.63 0.41 0.00 0.00 173.24 172.36 3h49 s ILE 97 N 2.31 1.85 -0.28 1.44 1.01 -1.26 -1.61 121.20 124.65 3h49 s ILE 97 Ca 0.78 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 60.52 3h49 s ILE 97 Cb -0.46 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 3h49 s ILE 97 CO 0.35 0.50 0.15 0.20 0.00 0.00 0.00 174.94 176.14 3h49 s ASN 98 N 1.32 5.64 -0.22 3.58 0.01 0.93 -4.22 114.94 121.99 3h49 s ASN 98 Ca 0.04 -0.20 -0.17 0.00 -0.71 0.00 0.00 52.86 51.82 3h49 s ASN 98 Cb -0.13 -2.04 -0.03 0.00 0.41 0.00 0.00 41.25 39.46 3h49 s ASN 98 CO -0.11 -0.08 0.47 -0.69 -1.51 0.00 0.00 177.10 175.18 3h49 s VAL 99 N 1.68 5.13 -0.16 1.60 1.01 -0.19 -0.76 120.40 128.71 3h49 s VAL 99 Ca 0.06 0.83 -0.14 0.00 0.00 0.00 0.00 61.98 62.74 3h49 s VAL 99 Cb -0.16 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 3h49 s VAL 99 CO 0.08 0.18 0.30 -0.83 0.00 0.00 0.00 175.10 174.82 3h49 s GLY 100 N 1.24 2.21 -0.57 4.51 0.00 -0.11 -1.12 107.32 113.49 3h49 s GLY 100 Ca 0.21 -0.45 -0.15 0.00 0.00 0.00 0.00 44.72 44.33 3h49 s GLY 100 CO 0.09 0.45 0.51 1.08 0.00 0.00 0.00 173.10 175.23 3h49 s LEU 101 N 0.50 6.20 -0.14 0.66 1.43 0.14 0.05 118.68 127.52 3h49 s LEU 101 Ca 0.17 -1.91 -0.05 0.00 -1.03 0.00 0.00 54.13 51.31 3h49 s LEU 101 Cb -0.13 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 3h49 s LEU 101 CO 0.04 -0.81 0.03 -0.69 0.23 0.00 0.00 176.35 175.14 3h49 s VAL 102 N 1.41 4.49 0.61 -1.59 1.01 0.15 -2.14 120.40 124.33 3h49 s VAL 102 Ca 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.87 3h49 s VAL 102 Cb -0.27 -2.96 0.06 0.00 0.00 0.00 0.00 36.38 33.20 3h49 s VAL 102 CO 0.01 0.52 0.86 0.42 0.00 0.00 0.00 175.10 176.92 3h49 s THR 103 N -0.11 2.49 0.35 3.92 -4.23 -0.26 -0.28 115.64 117.53 3h49 s THR 103 Ca 0.05 -0.59 0.14 0.00 -1.18 0.00 0.00 61.69 60.12 3h49 s THR 103 Cb -0.12 -2.90 0.35 0.00 1.34 0.00 0.00 72.50 71.17 3h49 s THR 103 CO 0.02 0.00 1.73 -0.33 -0.54 0.00 0.00 174.62 175.49 3h49 h GLU 104 N -0.17 0.44 0.00 3.99 3.07 -1.88 -1.71 114.58 118.33 3h49 h GLU 104 Ca -0.41 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 3h49 h GLU 104 Cb 1.29 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 3h49 h GLU 104 CO 0.51 0.29 0.00 -0.40 -1.40 0.00 0.00 179.01 178.01 3h49 n ASP 105 N -4.81 0.00 0.00 1.42 5.75 -1.26 -4.83 116.55 112.81 3h49 n ASP 105 Ca 0.28 -0.90 0.00 0.00 -0.01 0.00 0.00 54.79 54.15 3h49 n ASP 105 Cb 0.86 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.95 3h49 n ASP 105 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h49 n GLY 106 N 0.61 1.32 3.75 6.12 0.00 -0.64 -5.04 105.19 111.32 3h49 n GLY 106 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3h49 n GLY 106 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h49 s GLU 107 N -0.78 3.16 0.16 1.61 2.12 -1.26 -4.78 118.70 118.93 3h49 s GLU 107 Ca 0.00 2.28 -0.23 0.00 0.36 0.00 0.00 54.97 57.38 3h49 s GLU 107 Cb 0.00 -2.29 0.07 0.00 0.26 0.00 0.00 34.13 32.17 3h49 s GLU 107 CO 0.00 -1.19 0.60 -0.98 -0.54 0.00 0.00 175.26 173.15 3h49 s ARG 108 N -2.87 1.28 0.28 4.30 1.70 -1.26 -1.10 118.95 121.27 3h49 s ARG 108 Ca 0.71 -0.47 0.05 0.00 -0.47 0.00 0.00 55.73 55.55 3h49 s ARG 108 Cb -0.41 0.59 -0.06 0.00 -0.57 0.00 0.00 34.95 34.50 3h49 s ARG 108 CO 0.49 -0.56 -0.02 0.95 -1.08 0.00 0.00 175.30 175.08 3h49 s THR 109 N -3.74 1.39 0.16 4.99 -4.23 -0.91 -4.97 115.64 108.34 3h49 s THR 109 Ca 0.01 -2.07 0.08 0.00 -1.18 0.00 0.00 61.69 58.53 3h49 s THR 109 Cb -0.01 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.30 3h49 s THR 109 CO -0.13 -0.25 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.16 3h49 s PHE 110 N -3.17 1.81 -0.18 3.99 0.08 -1.26 -0.68 117.98 118.56 3h49 s PHE 110 Ca 0.31 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.89 3h49 s PHE 110 Cb 0.05 -0.90 0.02 0.00 -0.57 0.00 0.00 43.02 41.62 3h49 s PHE 110 CO 0.12 0.32 -0.18 0.08 -0.10 0.00 0.00 175.22 175.46 3h49 s VAL 111 N -2.03 1.92 0.42 -0.44 1.01 -0.28 -4.97 120.40 116.03 3h49 s VAL 111 Ca 0.15 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.29 3h49 s VAL 111 Cb -0.06 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 3h49 s VAL 111 CO 0.06 0.48 0.03 0.42 0.00 0.00 0.00 175.10 176.10 3h49 s THR 112 N 1.34 1.46 -0.42 3.92 -4.23 -1.26 -1.03 115.64 115.41 3h49 s THR 112 Ca 0.04 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.47 3h49 s THR 112 Cb -0.13 -2.65 0.09 0.00 1.34 0.00 0.00 72.50 71.14 3h49 s THR 112 CO -0.12 0.00 0.27 0.21 -0.54 0.00 0.00 174.62 174.44 3h49 s ASN 113 N -3.70 5.61 0.62 3.99 3.84 -1.26 -4.96 114.94 119.08 3h49 s ASN 113 Ca 0.26 -1.60 0.29 0.00 0.21 0.00 0.00 52.86 52.02 3h49 s ASN 113 Cb 0.07 -1.98 1.54 0.00 -0.55 0.00 0.00 41.25 40.33 3h49 s ASN 113 CO 0.13 -0.56 1.91 0.03 -2.79 0.00 0.00 177.10 175.82 3h49 h ARG 114 N 8.38 0.00 -0.26 0.43 3.08 -1.99 -0.52 114.38 123.51 3h49 h ARG 114 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 3h49 h ARG 114 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.13 3h49 h ARG 114 CO 0.77 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.76 3h49 n ASN 115 N -3.33 3.25 -4.67 7.04 3.02 -1.26 -4.90 115.26 114.41 3h49 n ASN 115 Ca 0.03 -2.54 -0.30 0.00 -0.03 0.00 0.00 54.58 51.74 3h49 n ASN 115 Cb 0.51 -0.37 0.16 0.00 -0.61 0.00 0.00 39.78 39.48 3h49 n ASN 115 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3h49 s GLY 116 N -1.56 1.62 0.56 7.41 0.00 -0.20 -4.67 107.32 110.48 3h49 s GLY 116 Ca 0.31 0.06 0.30 0.00 0.00 0.00 0.00 44.72 45.38 3h49 s GLY 116 CO 0.10 0.57 1.90 1.48 0.00 0.00 0.00 173.10 177.15 3h49 h SER 117 N -1.78 0.00 -0.78 1.64 4.64 -1.31 -0.93 113.55 115.03 3h49 h SER 117 Ca -0.50 0.00 0.11 0.00 -0.47 0.00 0.00 61.79 60.93 3h49 h SER 117 Cb 1.29 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.32 3h49 h SER 117 CO 0.51 0.00 0.51 0.25 -0.87 0.00 0.00 176.83 177.24 3h49 h LEU 118 N 0.00 0.59 0.00 5.97 6.46 -1.87 -0.38 115.31 126.09 3h49 h LEU 118 Ca 0.32 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.10 3h49 h LEU 118 Cb 1.42 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 3h49 h LEU 118 CO -0.00 0.34 -0.02 0.79 -0.62 0.00 0.00 178.44 178.93 3h49 n TRP 119 N -4.51 0.83 0.51 1.25 7.02 -0.35 -3.81 117.44 118.38 3h49 n TRP 119 Ca 0.14 0.24 0.11 0.00 -1.02 0.00 0.00 57.50 56.97 3h49 n TRP 119 Cb 0.38 -0.89 0.05 0.00 -2.42 0.00 0.00 31.31 28.43 3h49 n TRP 119 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 3h49 n LYS 120 N -2.18 0.33 -1.67 -0.99 4.76 -0.17 -4.55 118.16 113.68 3h49 n LYS 120 Ca 0.06 0.02 -0.46 0.00 -2.87 0.00 0.00 58.31 55.06 3h49 n LYS 120 Cb 0.42 -1.63 -0.04 0.00 -1.84 0.00 0.00 35.03 31.94 3h49 n LYS 120 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3h49 n LEU 121 N -2.07 3.10 0.00 -0.35 7.94 -1.10 -4.97 117.00 119.55 3h49 n LEU 121 Ca 0.02 1.10 -0.15 0.00 -1.11 0.00 0.00 56.01 55.87 3h49 n LEU 121 Cb 0.45 -1.43 -0.03 0.00 0.53 0.00 0.00 43.42 42.94 3h49 n LEU 121 CO 0.39 -0.36 0.18 -0.46 -1.11 0.00 0.00 177.39 176.04 3h49 n ASN 122 N 2.96 -1.42 0.34 1.96 6.94 -1.26 -4.20 115.26 120.57 3h49 n ASN 122 Ca 0.15 -2.94 0.22 0.00 -0.02 0.00 0.00 54.58 51.99 3h49 n ASN 122 Cb 0.30 2.65 1.19 0.00 -2.36 0.00 0.00 39.78 41.56 3h49 n ASN 122 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 3h49 h ILE 123 N 2.04 0.03 0.00 1.53 2.10 -1.93 -0.78 117.51 120.50 3h49 h ILE 123 Ca -0.28 -0.02 -0.01 0.00 1.08 0.00 0.00 64.86 65.62 3h49 h ILE 123 Cb 1.22 1.02 -0.00 0.00 -1.09 0.00 0.00 36.82 37.97 3h49 h ILE 123 CO 0.38 0.00 -0.07 0.44 -1.08 0.00 0.00 178.15 177.83 3h49 h ASP 124 N 0.00 0.00 -0.09 2.19 3.32 -1.97 -2.06 116.42 117.81 3h49 h ASP 124 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h49 h ASP 124 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3h49 h ASP 124 CO 0.00 0.07 0.00 0.47 -1.72 0.00 0.00 179.24 178.06 3h49 n ASP 125 N -3.42 1.08 -4.57 6.45 8.00 -0.30 -4.78 116.55 119.01 3h49 n ASP 125 Ca -0.02 -1.54 -0.39 0.00 0.71 0.00 0.00 54.79 53.55 3h49 n ASP 125 Cb 0.21 -0.05 -0.11 0.00 -0.02 0.00 0.00 41.12 41.15 3h49 n ASP 125 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3h49 s VAL 126 N -1.90 5.28 -0.95 2.53 1.01 -0.78 -4.47 120.40 121.13 3h49 s VAL 126 Ca 0.33 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 62.23 3h49 s VAL 126 Cb 0.17 -3.62 0.15 0.00 0.00 0.00 0.00 36.38 33.08 3h49 s VAL 126 CO 0.27 0.15 1.12 -0.62 0.00 0.00 0.00 175.10 176.02 3h49 s ASP 127 N 1.74 6.69 0.59 3.32 -1.08 -1.26 -4.87 116.67 121.80 3h49 s ASP 127 Ca 0.08 -2.22 0.30 0.00 -0.52 0.00 0.00 52.55 50.19 3h49 s ASP 127 Cb -0.16 -2.38 1.84 0.00 -1.46 0.00 0.00 42.92 40.76 3h49 s ASP 127 CO 0.11 -0.97 2.25 -0.26 0.52 0.00 0.00 175.17 176.82 3h49 h PHE 128 N 8.54 0.00 0.00 -5.34 0.04 -1.95 -2.05 116.94 116.17 3h49 h PHE 128 Ca 0.17 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.93 3h49 h PHE 128 Cb 1.01 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.16 3h49 h PHE 128 CO 1.14 0.00 -0.02 0.00 -0.60 0.00 0.00 178.31 178.83 3h49 h ALA 129 N 1.98 1.01 -0.00 2.45 0.00 -2.05 -2.63 119.26 120.02 3h49 h ALA 129 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h49 h ALA 129 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3h49 h ALA 129 CO -0.00 0.03 -0.39 0.54 0.00 0.00 0.00 179.25 179.43 3h49 n ARG 130 N -3.14 0.22 -0.11 0.00 1.74 -0.77 -4.15 116.66 110.46 3h49 n ARG 130 Ca -0.00 -0.12 0.10 0.00 -0.77 0.00 0.00 57.85 57.06 3h49 n ARG 130 Cb 0.28 -1.50 0.45 0.00 -1.02 0.00 0.00 32.46 30.67 3h49 n ARG 130 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 3h49 h PHE 131 N 0.29 0.54 0.00 -1.55 -1.00 -1.57 -1.55 116.94 112.11 3h49 h PHE 131 Ca 0.00 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 3h49 h PHE 131 Cb 0.49 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.88 3h49 h PHE 131 CO 0.00 0.27 0.00 0.66 -1.61 0.00 0.00 178.31 177.63 3h49 h SER 132 N 0.52 0.00 0.40 2.17 4.64 -1.79 -2.67 113.55 116.83 3h49 h SER 132 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3h49 h SER 132 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3h49 h SER 132 CO -0.09 0.00 -0.43 0.00 -0.87 0.00 0.00 176.83 175.44 3h49 n GLN 133 N -2.37 0.28 -4.39 4.77 6.02 -0.58 -4.95 117.38 116.15 3h49 n GLN 133 Ca 0.00 -0.16 -0.24 0.00 -0.01 0.00 0.00 57.00 56.59 3h49 n GLN 133 Cb 0.16 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.83 3h49 n GLN 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h49 s ALA 134 N -2.84 3.03 -0.04 -1.58 0.00 -1.01 -3.89 121.76 115.44 3h49 s ALA 134 Ca 0.15 -1.89 0.19 0.00 0.00 0.00 0.00 51.96 50.41 3h49 s ALA 134 Cb 0.18 -0.39 -0.29 0.00 0.00 0.00 0.00 23.12 22.63 3h49 s ALA 134 CO 0.64 0.17 0.38 1.63 0.00 0.00 0.00 175.76 178.58 3h49 n LYS 135 N -0.83 0.63 -3.80 0.00 5.02 -0.19 -4.98 118.16 114.02 3h49 n LYS 135 Ca -0.05 -0.16 -0.12 0.00 -2.02 0.00 0.00 58.31 55.96 3h49 n LYS 135 Cb 0.61 -1.45 -0.11 0.00 -0.02 0.00 0.00 35.03 34.06 3h49 n LYS 135 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3h49 s LEU 136 N -4.43 1.17 -0.12 -0.35 0.20 -0.38 -1.65 118.68 113.13 3h49 s LEU 136 Ca -0.07 0.32 0.01 0.00 0.69 0.00 0.00 54.13 55.08 3h49 s LEU 136 Cb 0.11 0.81 -0.01 0.00 -0.43 0.00 0.00 46.19 46.67 3h49 s LEU 136 CO 0.78 -0.16 -0.15 -0.22 -0.29 0.00 0.00 176.35 176.32 3h49 s LEU 137 N -0.24 2.64 -0.26 -0.68 2.96 -0.07 -1.34 118.68 121.69 3h49 s LEU 137 Ca -0.03 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.56 3h49 s LEU 137 Cb -0.03 -1.58 0.06 0.00 0.50 0.00 0.00 46.19 45.14 3h49 s LEU 137 CO 0.01 0.18 -0.10 -0.55 -1.32 0.00 0.00 176.35 174.57 3h49 s SER 138 N 0.23 4.43 -0.73 3.68 0.15 -0.26 -0.32 113.70 120.88 3h49 s SER 138 Ca -0.10 -1.42 -0.23 0.00 0.70 0.00 0.00 55.95 54.91 3h49 s SER 138 Cb -0.16 -1.53 0.07 0.00 -1.71 0.00 0.00 66.02 62.69 3h49 s SER 138 CO 0.06 -0.20 1.08 -0.22 1.20 0.00 0.00 173.24 175.15 3h49 s LEU 139 N 1.11 4.18 -1.17 3.45 2.96 0.19 -1.22 118.68 128.17 3h49 s LEU 139 Ca -0.08 -1.05 -0.21 0.00 -0.22 0.00 0.00 54.13 52.57 3h49 s LEU 139 Cb -0.20 -2.45 0.02 0.00 0.50 0.00 0.00 46.19 44.05 3h49 s LEU 139 CO -0.05 -1.48 1.75 0.00 -1.32 0.00 0.00 176.35 175.25 3h49 s ALA 140 N 4.27 2.65 0.00 5.97 0.00 -0.04 -2.90 121.76 131.70 3h49 s ALA 140 Ca 0.27 -2.44 0.00 0.00 0.00 0.00 0.00 51.96 49.79 3h49 s ALA 140 Cb -0.13 -4.62 0.00 0.00 0.00 0.00 0.00 23.12 18.37 3h49 s ALA 140 CO 0.07 -3.99 0.00 0.43 0.00 0.00 0.00 175.76 172.27 3h49 n SER 141 N 10.54 -0.98 -4.77 0.00 7.64 -1.23 -4.37 113.62 120.44 3h49 n SER 141 Ca 0.44 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.91 3h49 n SER 141 Cb 0.47 -0.49 -0.02 0.00 -1.01 0.00 0.00 64.21 63.16 3h49 n SER 141 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3h49 s ILE 142 N 0.00 2.64 0.00 0.44 1.01 -0.47 -1.77 121.20 123.05 3h49 s ILE 142 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 60.65 61.29 3h49 s ILE 142 Cb 0.00 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.06 3h49 s ILE 142 CO 0.00 0.15 0.00 0.49 0.00 0.00 0.00 174.94 175.58 3h49 n PHE 143 N 0.82 0.00 -0.17 3.97 3.72 -1.26 -2.75 117.46 121.79 3h49 n PHE 143 Ca 0.00 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.33 3h49 n PHE 143 Cb 0.41 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.98 3h49 n PHE 143 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3h49 h ASN 144 N 0.00 0.59 -3.56 4.37 -1.24 -1.69 -3.37 115.58 110.68 3h49 h ASN 144 Ca 0.00 -0.02 -0.69 0.00 0.71 0.00 0.00 56.30 56.31 3h49 h ASN 144 Cb 0.00 -0.15 -0.35 0.00 0.73 0.00 0.00 38.32 38.55 3h49 h ASN 144 CO 0.00 0.43 -0.60 -0.44 -1.29 0.00 0.00 177.43 175.53 3h49 s SER 145 N -5.66 5.13 0.49 1.15 0.01 -1.26 -4.80 113.70 108.76 3h49 s SER 145 Ca -0.13 -1.91 0.32 0.00 1.31 0.00 0.00 55.95 55.54 3h49 s SER 145 Cb 0.12 -1.78 1.43 0.00 0.21 0.00 0.00 66.02 65.99 3h49 s SER 145 CO 0.74 -0.47 1.75 -0.65 0.41 0.00 0.00 173.24 175.02 3h49 h PRO 146 N 7.99 0.12 0.00 12.44 0.11 -1.83 -1.37 132.00 149.45 3h49 h PRO 146 Ca -0.13 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.97 3h49 h PRO 146 Cb 1.05 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3h49 h PRO 146 CO 0.65 0.08 0.00 -0.07 -0.21 0.00 0.00 178.00 178.45 3h49 h LEU 147 N 0.12 0.00 -6.23 2.35 3.38 -1.80 -3.24 115.31 109.89 3h49 h LEU 147 Ca 0.65 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.87 3h49 h LEU 147 Cb 2.24 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.87 3h49 h LEU 147 CO -0.15 0.00 2.39 0.18 0.09 0.00 0.00 178.44 180.95 3h49 n LEU 148 N -2.59 6.87 -4.70 1.67 4.77 -0.52 -4.72 117.00 117.78 3h49 n LEU 148 Ca 0.02 -4.53 -0.30 0.00 -0.03 0.00 0.00 56.01 51.17 3h49 n LEU 148 Cb 0.28 -1.52 0.23 0.00 -2.33 0.00 0.00 43.42 40.09 3h49 n LEU 148 CO 0.24 1.38 0.72 1.51 -1.33 0.00 0.00 177.39 179.90 3h49 s ASP 149 N 1.45 1.40 0.26 -1.43 1.47 -1.22 -4.60 116.67 114.00 3h49 s ASP 149 Ca 0.43 0.40 -0.01 0.00 1.18 0.00 0.00 52.55 54.56 3h49 s ASP 149 Cb 0.12 -0.49 0.55 0.00 -0.34 0.00 0.00 42.92 42.75 3h49 s ASP 149 CO -0.03 -3.80 1.75 1.23 0.68 0.00 0.00 175.17 175.00 3h49 h GLY 150 N -2.37 1.38 1.09 2.12 0.00 -1.93 0.12 103.07 103.48 3h49 h GLY 150 Ca -0.43 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 46.57 3h49 h GLY 150 CO 0.31 -0.07 -0.02 1.70 0.00 0.00 0.00 176.54 178.45 3h49 h LYS 151 N 0.57 1.08 -0.40 4.80 3.64 -1.92 -0.87 116.57 123.49 3h49 h LYS 151 Ca 0.47 -0.35 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 3h49 h LYS 151 Cb 0.71 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3h49 h LYS 151 CO -0.39 1.06 -0.01 0.00 -2.27 0.00 0.00 179.45 177.84 3h49 h ALA 152 N 0.98 0.53 -0.69 5.00 0.00 -1.63 -2.18 119.26 121.27 3h49 h ALA 152 Ca 0.17 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3h49 h ALA 152 Cb 0.59 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3h49 h ALA 152 CO 0.04 0.32 0.40 -0.07 0.00 0.00 0.00 179.25 179.94 3h49 h LEU 153 N 0.53 0.84 -0.73 0.00 3.38 -0.88 -0.58 115.31 117.87 3h49 h LEU 153 Ca 0.11 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3h49 h LEU 153 Cb 0.49 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3h49 h LEU 153 CO 0.02 0.67 0.46 0.74 0.09 0.00 0.00 178.44 180.43 3h49 h THR 154 N 0.94 1.13 -0.53 0.22 2.02 -0.95 0.15 112.91 115.88 3h49 h THR 154 Ca 0.24 -0.32 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 3h49 h THR 154 Cb 0.00 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.51 3h49 h THR 154 CO -0.04 0.17 0.18 -0.08 0.37 0.00 0.00 175.52 176.11 3h49 h GLU 155 N 0.92 0.82 -0.05 6.66 4.57 -0.85 0.19 114.58 126.83 3h49 h GLU 155 Ca 0.28 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.29 3h49 h GLU 155 Cb -0.02 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.45 3h49 h GLU 155 CO -0.09 0.75 0.03 0.82 -1.18 0.00 0.00 179.01 179.33 3h49 h ILE 156 N 0.73 1.08 -0.18 2.32 2.04 -0.48 -2.61 117.51 120.42 3h49 h ILE 156 Ca 0.17 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 3h49 h ILE 156 Cb 0.26 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 3h49 h ILE 156 CO -0.01 0.07 -0.30 -0.26 0.00 0.00 0.00 178.15 177.65 3h49 h PHE 157 N -0.01 0.40 -0.67 1.37 0.04 -0.57 -1.97 116.94 115.53 3h49 h PHE 157 Ca 0.02 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3h49 h PHE 157 Cb 0.08 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.10 3h49 h PHE 157 CO -0.05 0.62 0.44 1.15 -0.60 0.00 0.00 178.31 179.87 3h49 h THR 158 N 0.31 1.18 -0.34 -1.55 2.02 -0.46 0.31 112.91 114.37 3h49 h THR 158 Ca 0.04 -0.34 -0.17 0.00 0.77 0.00 0.00 66.41 66.71 3h49 h THR 158 Cb 0.69 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.30 3h49 h THR 158 CO 0.05 0.17 -0.46 1.56 0.37 0.00 0.00 175.52 177.22 3h49 h GLN 159 N 0.91 0.91 -0.23 6.66 4.20 -1.29 -1.39 115.11 124.87 3h49 h GLN 159 Ca 0.24 -0.52 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 3h49 h GLN 159 Cb -0.09 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3h49 h GLN 159 CO -0.05 1.16 0.13 0.00 -0.67 0.00 0.00 178.83 179.40 3h49 h ALA 160 N 0.75 0.30 -0.37 3.87 0.00 -0.90 -2.37 119.26 120.53 3h49 h ALA 160 Ca 0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3h49 h ALA 160 Cb 1.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3h49 h ALA 160 CO 0.11 -0.17 0.05 -0.22 0.00 0.00 0.00 179.25 179.01 3h49 h LYS 161 N 0.27 0.55 -0.24 0.00 3.64 -0.35 -2.01 116.57 118.44 3h49 h LYS 161 Ca 0.08 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3h49 h LYS 161 Cb 0.06 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3h49 h LYS 161 CO -0.01 0.54 0.08 0.00 -2.27 0.00 0.00 179.45 177.79 3h49 h ALA 162 N 1.52 1.70 -0.46 5.00 0.00 -0.75 -1.62 119.26 124.64 3h49 h ALA 162 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3h49 h ALA 162 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3h49 h ALA 162 CO 0.00 0.24 0.01 0.54 0.00 0.00 0.00 179.25 180.05 3h49 n ARG 163 N -4.42 4.06 -2.66 0.00 1.74 -0.77 -5.10 116.66 109.52 3h49 n ARG 163 Ca 0.00 -2.50 -0.05 0.00 -0.77 0.00 0.00 57.85 54.53 3h49 n ARG 163 Cb 0.14 -2.11 -0.04 0.00 -1.02 0.00 0.00 32.46 29.42 3h49 n ARG 163 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3h49 n GLN 164 N 0.47 -4.26 -5.10 5.56 1.13 -0.61 -5.02 117.38 109.53 3h49 n GLN 164 Ca 0.23 3.24 -0.30 0.00 -1.94 0.00 0.00 57.00 58.23 3h49 n GLN 164 Cb 1.02 -4.72 -0.16 0.00 0.11 0.00 0.00 30.24 26.48 3h49 n GLN 164 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3h49 s ILE 166 N -0.68 1.83 -0.22 5.09 1.01 -0.66 -5.00 121.20 122.57 3h49 s ILE 166 Ca -0.25 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.42 3h49 s ILE 166 Cb 0.02 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 3h49 s ILE 166 CO 0.73 0.51 -0.03 -0.63 0.00 0.00 0.00 174.94 175.52 3h49 s ILE 167 N -0.04 3.52 0.09 2.92 1.01 -1.26 -0.89 121.20 126.56 3h49 s ILE 167 Ca -0.05 -0.44 0.09 0.00 0.00 0.00 0.00 60.65 60.25 3h49 s ILE 167 Cb -0.13 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 3h49 s ILE 167 CO 0.04 0.42 -0.22 0.00 0.00 0.00 0.00 174.94 175.18 3h49 s ALA 169 N -1.02 -1.39 0.00 0.00 0.00 -0.42 -0.64 121.76 118.30 3h49 s ALA 169 Ca 0.15 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.47 3h49 s ALA 169 Cb -0.10 -0.59 0.00 0.00 0.00 0.00 0.00 23.12 22.42 3h49 s ALA 169 CO 0.07 -0.29 0.00 -0.40 0.00 0.00 0.00 175.76 175.14 3h49 n ASP 170 N 2.17 1.16 -2.91 0.00 5.68 -1.14 -0.25 116.55 121.26 3h49 n ASP 170 Ca -0.16 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.02 3h49 n ASP 170 Cb 0.56 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.55 3h49 n ASP 170 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 3h49 n ILE 172 N 0.00 0.00 -2.56 2.12 -5.35 -1.11 -1.37 119.36 111.08 3h49 n ILE 172 Ca 0.00 -1.36 -0.42 0.00 -0.27 0.00 0.00 62.75 60.70 3h49 n ILE 172 Cb 0.00 1.06 -0.03 0.00 -1.74 0.00 0.00 39.64 38.93 3h49 n ILE 172 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3h49 s LYS 173 N -2.41 4.48 0.34 6.28 2.20 -1.26 -4.85 119.74 124.52 3h49 s LYS 173 Ca 0.22 1.59 -0.26 0.00 -0.36 0.00 0.00 55.97 57.16 3h49 s LYS 173 Cb -0.03 -3.42 -0.13 0.00 -1.51 0.00 0.00 37.83 32.73 3h49 s LYS 173 CO 0.16 -0.18 0.93 -0.35 -0.36 0.00 0.00 175.35 175.55 3h49 n PRO 174 N 4.06 1.20 -0.00 4.03 -0.04 -1.26 -4.89 135.00 138.10 3h49 n PRO 174 Ca 0.08 0.42 -0.03 0.00 -0.04 0.00 0.00 63.50 63.93 3h49 n PRO 174 Cb 0.48 -1.82 -0.11 0.00 -0.04 0.00 0.00 33.50 32.02 3h49 n PRO 174 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3h49 n ARG 175 N 0.57 0.63 -2.34 0.54 1.74 -1.26 -4.49 116.66 112.06 3h49 n ARG 175 Ca 0.10 0.18 -0.20 0.00 -0.77 0.00 0.00 57.85 57.17 3h49 n ARG 175 Cb 0.35 -1.75 0.02 0.00 -1.02 0.00 0.00 32.46 30.06 3h49 n ARG 175 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3h49 n LEU 176 N -2.87 4.02 -1.67 0.55 4.77 -1.26 -4.96 117.00 115.58 3h49 n LEU 176 Ca -0.14 -4.52 -0.17 0.00 -0.03 0.00 0.00 56.01 51.14 3h49 n LEU 176 Cb 0.91 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.79 3h49 n LEU 176 CO 0.44 1.93 -0.20 0.59 -1.33 0.00 0.00 177.39 178.82 3h49 n ASN 177 N -0.56 -5.07 -4.78 -1.43 3.02 -1.26 -4.98 115.26 100.19 3h49 n ASN 177 Ca 0.34 0.19 -0.34 0.00 -0.03 0.00 0.00 54.58 54.74 3h49 n ASN 177 Cb 0.84 -4.13 0.03 0.00 -0.61 0.00 0.00 39.78 35.90 3h49 n ASN 177 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3h49 s GLU 178 N -4.22 3.07 0.41 3.52 8.01 -1.26 -5.04 118.70 123.18 3h49 s GLU 178 Ca 0.00 1.43 0.06 0.00 0.01 0.00 0.00 54.97 56.47 3h49 s GLU 178 Cb 0.00 -1.98 -0.07 0.00 -4.31 0.00 0.00 34.13 27.76 3h49 s GLU 178 CO 0.00 -1.04 0.01 0.95 0.01 0.00 0.00 175.26 175.19 3h49 s THR 179 N -2.17 1.88 0.32 3.63 -4.23 -1.26 -4.79 115.64 109.01 3h49 s THR 179 Ca 0.68 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 59.19 3h49 s THR 179 Cb -0.21 -2.94 0.26 0.00 1.34 0.00 0.00 72.50 70.96 3h49 s THR 179 CO 0.36 0.00 1.98 0.25 -0.54 0.00 0.00 174.62 176.67 3h49 h LEU 180 N 1.78 0.86 -1.67 4.79 5.85 -1.97 -1.61 115.31 123.34 3h49 h LEU 180 Ca -0.44 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3h49 h LEU 180 Cb 1.24 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3h49 h LEU 180 CO 0.80 0.63 0.21 -0.78 -0.34 0.00 0.00 178.44 178.95 3h49 h ASP 181 N 1.01 0.38 0.39 1.25 3.58 -1.96 -0.76 116.42 120.30 3h49 h ASP 181 Ca 0.27 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.67 3h49 h ASP 181 Cb -0.11 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 40.84 3h49 h ASP 181 CO -0.06 0.28 -0.22 0.44 -2.88 0.00 0.00 179.24 176.80 3h49 h ASP 182 N 0.44 0.00 -0.16 2.28 3.32 -1.69 -3.16 116.42 117.46 3h49 h ASP 182 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3h49 h ASP 182 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 3h49 h ASP 182 CO -0.02 0.22 0.00 2.30 -1.72 0.00 0.00 179.24 180.01 3h49 n ILE 183 N -3.88 0.76 -0.23 0.35 -5.35 -0.67 -4.25 119.36 106.10 3h49 n ILE 183 Ca -0.02 -0.88 0.01 0.00 -0.27 0.00 0.00 62.75 61.59 3h49 n ILE 183 Cb 0.31 0.65 0.12 0.00 -1.74 0.00 0.00 39.64 38.98 3h49 n ILE 183 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h49 h GLU 185 N 0.56 0.96 -0.74 0.00 4.81 -1.85 -2.55 114.58 115.77 3h49 h GLU 185 Ca 0.33 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3h49 h GLU 185 Cb 0.34 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 3h49 h GLU 185 CO -0.26 0.88 0.27 0.00 -0.73 0.00 0.00 179.01 179.16 3h49 h ALA 186 N 1.04 0.96 0.00 2.92 0.00 -1.61 -2.72 119.26 119.85 3h49 h ALA 186 Ca 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3h49 h ALA 186 Cb 0.35 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3h49 h ALA 186 CO 0.00 0.61 -0.00 -0.07 0.00 0.00 0.00 179.25 179.79 3h49 h LEU 187 N 1.07 0.00 -0.30 0.00 3.38 -0.41 -2.32 115.31 116.74 3h49 h LEU 187 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3h49 h LEU 187 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3h49 h LEU 187 CO -0.01 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.98 3h49 n SER 188 N -4.10 0.17 0.00 -0.43 3.41 -1.02 -1.23 113.62 110.41 3h49 n SER 188 Ca -0.03 0.56 0.10 0.00 -0.26 0.00 0.00 58.87 59.25 3h49 n SER 188 Cb 0.09 -0.59 -0.09 0.00 -0.26 0.00 0.00 64.21 63.36 3h49 n SER 188 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3h49 n TYR 189 N -1.71 0.04 -2.48 7.33 4.01 -0.87 -4.66 117.16 118.82 3h49 n TYR 189 Ca 0.01 0.01 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 3h49 n TYR 189 Cb 0.09 -0.17 -0.03 0.00 -0.31 0.00 0.00 39.34 38.92 3h49 n TYR 189 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3h49 s VAL 190 N -3.13 4.22 -0.08 -0.72 1.01 -0.37 -4.74 120.40 116.59 3h49 s VAL 190 Ca 0.04 1.59 -0.07 0.00 0.00 0.00 0.00 61.98 63.54 3h49 s VAL 190 Cb 0.15 -4.02 -0.28 0.00 0.00 0.00 0.00 36.38 32.24 3h49 s VAL 190 CO 0.86 0.10 0.53 0.44 0.00 0.00 0.00 175.10 177.03 3h49 h ASP 191 N 6.90 0.46 -3.25 3.32 3.32 -1.35 -1.56 116.42 124.25 3h49 h ASP 191 Ca -0.40 -0.86 -0.47 0.00 0.02 0.00 0.00 57.03 55.32 3h49 h ASP 191 Cb 1.21 -0.15 -0.39 0.00 0.22 0.00 0.00 39.33 40.22 3h49 h ASP 191 CO 0.81 1.75 -0.77 -0.31 -1.72 0.00 0.00 179.24 179.00 3h49 s TYR 192 N -2.57 0.85 -0.16 4.55 2.02 -0.69 -0.89 117.35 120.45 3h49 s TYR 192 Ca -0.18 -0.44 -0.05 0.00 -0.37 0.00 0.00 57.07 56.04 3h49 s TYR 192 Cb 0.06 -0.91 -0.03 0.00 -0.40 0.00 0.00 41.96 40.68 3h49 s TYR 192 CO 0.81 -0.44 -0.01 -1.17 -1.57 0.00 0.00 175.55 173.17 3h49 s LEU 193 N 1.91 3.40 -0.81 -1.29 2.96 -0.24 -1.30 118.68 123.32 3h49 s LEU 193 Ca 0.03 -0.08 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3h49 s LEU 193 Cb -0.14 -1.83 0.25 0.00 0.50 0.00 0.00 46.19 44.97 3h49 s LEU 193 CO -0.06 0.17 0.90 0.49 -1.32 0.00 0.00 176.35 176.53 3h49 n PHE 194 N 3.57 3.43 -2.56 5.38 3.72 0.66 -0.56 117.46 131.10 3h49 n PHE 194 Ca -0.17 -3.80 -0.35 0.00 -0.05 0.00 0.00 57.45 53.08 3h49 n PHE 194 Cb 0.52 -0.86 -0.04 0.00 -0.94 0.00 0.00 39.48 38.17 3h49 n PHE 194 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3h49 s PRO 195 N -2.22 3.93 -0.18 -1.08 0.04 -1.24 -4.53 135.00 129.72 3h49 s PRO 195 Ca 0.34 1.38 -0.27 0.00 0.04 0.00 0.00 61.00 62.50 3h49 s PRO 195 Cb 0.06 -2.22 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 3h49 s PRO 195 CO -0.02 -0.33 0.90 1.21 0.04 0.00 0.00 177.00 178.80 3h49 s ASN 196 N -1.88 7.01 0.19 6.66 3.84 -1.26 -4.33 114.94 125.16 3h49 s ASN 196 Ca 0.64 1.25 -0.20 0.00 0.21 0.00 0.00 52.86 54.77 3h49 s ASN 196 Cb -0.17 -2.48 0.14 0.00 -0.55 0.00 0.00 41.25 38.18 3h49 s ASN 196 CO 0.21 -0.47 1.60 0.15 -2.79 0.00 0.00 177.10 175.80 3h49 h PHE 197 N 7.36 -0.79 -0.01 0.43 3.57 -1.95 0.30 116.94 125.85 3h49 h PHE 197 Ca -0.27 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.30 3h49 h PHE 197 Cb 1.12 0.43 -0.00 0.00 2.79 0.00 0.00 35.95 40.28 3h49 h PHE 197 CO 0.73 -0.36 -0.01 0.00 -2.23 0.00 0.00 178.31 176.44 3h49 h ALA 198 N 1.09 0.00 -0.73 2.41 0.00 -1.94 0.10 119.26 120.18 3h49 h ALA 198 Ca 0.24 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3h49 h ALA 198 Cb 0.53 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3h49 h ALA 198 CO -0.64 -0.51 0.22 0.93 0.00 0.00 0.00 179.25 179.25 3h49 h GLU 199 N -0.01 1.14 -0.24 0.00 5.08 -1.87 -2.37 114.58 116.32 3h49 h GLU 199 Ca 0.01 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 3h49 h GLU 199 Cb 0.03 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3h49 h GLU 199 CO -0.02 0.97 -0.21 0.00 -1.00 0.00 0.00 179.01 178.76 3h49 h ALA 200 N 1.14 1.21 -0.66 3.43 0.00 -0.17 -0.25 119.26 123.95 3h49 h ALA 200 Ca 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3h49 h ALA 200 Cb 0.32 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3h49 h ALA 200 CO -0.01 0.51 0.37 -0.22 0.00 0.00 0.00 179.25 179.91 3h49 h LYS 201 N 0.38 0.92 -0.00 0.00 3.64 -0.31 0.28 116.57 121.49 3h49 h LYS 201 Ca 0.06 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 3h49 h LYS 201 Cb 0.58 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3h49 h LYS 201 CO 0.04 0.68 -0.71 -0.07 -2.27 0.00 0.00 179.45 177.12 3h49 h LEU 202 N 0.91 0.01 -0.07 5.20 4.07 -0.98 0.74 115.31 125.18 3h49 h LEU 202 Ca 0.23 -0.01 -0.25 0.00 0.08 0.00 0.00 57.88 57.94 3h49 h LEU 202 Cb 0.02 -0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.77 3h49 h LEU 202 CO -0.04 0.72 -1.03 0.25 -1.08 0.00 0.00 178.44 177.26 3h49 h LEU 203 N 0.00 0.70 0.00 1.67 5.85 -0.66 -3.34 115.31 119.54 3h49 h LEU 203 Ca -0.01 -0.58 -0.25 0.00 0.84 0.00 0.00 57.88 57.88 3h49 h LEU 203 Cb 1.26 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 3h49 h LEU 203 CO 0.09 1.39 -1.72 0.35 -0.34 0.00 0.00 178.44 178.21 3h49 n THR 204 N -3.78 1.37 -1.00 1.05 -2.24 0.05 -4.71 114.28 105.02 3h49 n THR 204 Ca -0.09 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 3h49 n THR 204 Cb 0.88 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 3h49 n THR 204 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h49 n GLY 205 N 1.52 0.50 3.94 3.38 0.00 0.25 -5.02 105.19 109.75 3h49 n GLY 205 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 3h49 n GLY 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h49 s LYS 206 N -0.08 3.44 -0.23 1.61 -0.14 -1.22 -5.04 119.74 118.09 3h49 s LYS 206 Ca 0.00 -0.35 -0.01 0.00 -1.36 0.00 0.00 55.97 54.25 3h49 s LYS 206 Cb 0.00 -2.65 -0.14 0.00 -1.68 0.00 0.00 37.83 33.36 3h49 s LYS 206 CO 0.00 0.10 -0.23 0.39 -0.76 0.00 0.00 175.35 174.86 3h49 n GLU 207 N -1.82 0.56 -3.42 1.68 -0.58 -1.26 -4.72 120.64 111.09 3h49 n GLU 207 Ca -0.04 0.15 -0.25 0.00 -0.42 0.00 0.00 57.16 56.60 3h49 n GLU 207 Cb 0.56 -1.44 -0.02 0.00 -0.57 0.00 0.00 31.44 29.98 3h49 n GLU 207 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3h49 s THR 208 N -2.46 5.11 0.33 2.62 -4.23 -1.26 -4.97 115.64 110.79 3h49 s THR 208 Ca -0.31 -0.38 0.01 0.00 -1.18 0.00 0.00 61.69 59.82 3h49 s THR 208 Cb 0.09 -3.83 0.26 0.00 1.34 0.00 0.00 72.50 70.36 3h49 s THR 208 CO 0.51 -0.48 1.99 -0.07 -0.54 0.00 0.00 174.62 176.03 3h49 h LEU 209 N 1.04 0.80 -0.13 4.79 3.38 -1.98 -0.37 115.31 122.83 3h49 h LEU 209 Ca -0.49 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 3h49 h LEU 209 Cb 1.21 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 3h49 h LEU 209 CO 0.63 0.59 0.03 0.44 0.09 0.00 0.00 178.44 180.22 3h49 h ASP 210 N 0.94 0.20 -0.45 -0.43 3.32 -1.99 -0.38 116.42 117.64 3h49 h ASP 210 Ca 0.25 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 3h49 h ASP 210 Cb -0.09 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3h49 h ASP 210 CO -0.05 0.38 0.09 -0.33 -1.72 0.00 0.00 179.24 177.60 3h49 h GLU 211 N 0.02 0.73 0.18 3.56 5.08 -1.86 -0.35 114.58 121.94 3h49 h GLU 211 Ca 0.04 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3h49 h GLU 211 Cb 0.25 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3h49 h GLU 211 CO 0.00 0.75 -0.09 0.82 -1.00 0.00 0.00 179.01 179.49 3h49 h ILE 212 N 0.60 0.85 -0.78 3.13 2.04 -1.05 -2.46 117.51 119.84 3h49 h ILE 212 Ca 0.14 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.88 3h49 h ILE 212 Cb 0.36 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 3h49 h ILE 212 CO 0.01 0.04 0.50 0.00 0.00 0.00 0.00 178.15 178.69 3h49 h ALA 213 N 0.49 1.02 -0.80 1.87 0.00 -0.99 -2.52 119.26 118.33 3h49 h ALA 213 Ca -0.02 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.92 3h49 h ALA 213 Cb 0.24 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3h49 h ALA 213 CO 0.04 0.30 0.53 -0.44 0.00 0.00 0.00 179.25 179.68 3h49 h ASP 214 N 0.97 0.77 -0.94 0.00 3.32 -0.85 -0.76 116.42 118.93 3h49 h ASP 214 Ca 0.31 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.40 3h49 h ASP 214 Cb 0.01 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.35 3h49 h ASP 214 CO -0.11 0.49 0.61 0.00 -1.72 0.00 0.00 179.24 178.51 3h49 h PHE 216 N 1.19 0.87 -0.36 0.00 0.04 -1.41 -3.09 116.94 114.17 3h49 h PHE 216 Ca 0.37 -0.47 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3h49 h PHE 216 Cb -0.00 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 3h49 h PHE 216 CO -0.01 1.30 0.24 -0.07 -0.60 0.00 0.00 178.31 179.17 3h49 h LEU 217 N 0.19 0.42 -2.31 1.54 3.38 -0.83 0.05 115.31 117.75 3h49 h LEU 217 Ca -0.11 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 3h49 h LEU 217 Cb 1.53 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 3h49 h LEU 217 CO 0.17 0.31 -0.03 0.00 0.09 0.00 0.00 178.44 178.97 3h49 h ALA 218 N 1.77 1.13 -0.01 1.53 0.00 -0.51 -0.57 119.26 122.61 3h49 h ALA 218 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3h49 h ALA 218 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3h49 h ALA 218 CO -0.03 0.04 -0.14 0.00 0.00 0.00 0.00 179.25 179.12 3h49 n GLY 220 N 1.27 0.77 3.75 0.00 0.00 -0.22 -2.51 105.19 108.24 3h49 n GLY 220 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3h49 n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h49 s VAL 221 N -2.00 2.40 -0.08 1.61 1.01 -1.17 -4.55 120.40 117.63 3h49 s VAL 221 Ca 0.00 0.35 -0.24 0.00 0.00 0.00 0.00 61.98 62.08 3h49 s VAL 221 Cb 0.00 -3.22 -0.20 0.00 0.00 0.00 0.00 36.38 32.96 3h49 s VAL 221 CO 0.00 0.06 0.90 0.11 0.00 0.00 0.00 175.10 176.17 3h49 h LYS 222 N 4.69 -0.05 -4.35 2.72 1.79 -1.41 -3.41 116.57 116.54 3h49 h LYS 222 Ca -0.47 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.53 3h49 h LYS 222 Cb 1.22 0.01 -0.34 0.00 -1.58 0.00 0.00 32.23 31.55 3h49 h LYS 222 CO 0.76 0.60 -0.80 0.99 -1.08 0.00 0.00 179.45 179.92 3h49 s THR 223 N -3.08 0.92 -0.23 -0.16 2.01 -0.07 -4.16 115.64 110.87 3h49 s THR 223 Ca -0.15 -0.35 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 3h49 s THR 223 Cb -0.01 -0.87 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 3h49 s THR 223 CO 0.59 0.31 0.03 -0.69 -0.69 0.00 0.00 174.62 174.17 3h49 s VAL 224 N 0.79 4.07 -0.27 3.82 1.01 -0.49 -1.07 120.40 128.26 3h49 s VAL 224 Ca -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3h49 s VAL 224 Cb -0.15 -2.88 0.05 0.00 0.00 0.00 0.00 36.38 33.40 3h49 s VAL 224 CO 0.02 0.38 -0.06 -0.69 0.00 0.00 0.00 175.10 174.75 3h49 s VAL 225 N 1.39 2.61 -0.27 2.92 1.01 0.28 -1.37 120.40 126.97 3h49 s VAL 225 Ca 0.05 -1.40 -0.06 0.00 0.00 0.00 0.00 61.98 60.57 3h49 s VAL 225 Cb -0.15 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.77 3h49 s VAL 225 CO 0.02 0.01 0.04 -0.63 0.00 0.00 0.00 175.10 174.53 3h49 s ILE 226 N 1.21 3.75 0.03 2.22 1.01 0.41 -3.64 121.20 126.19 3h49 s ILE 226 Ca -0.05 -0.63 -0.30 0.00 0.00 0.00 0.00 60.65 59.67 3h49 s ILE 226 Cb -0.19 -2.86 -0.05 0.00 0.01 0.00 0.00 42.46 39.37 3h49 s ILE 226 CO -0.04 0.20 1.21 -0.75 0.00 0.00 0.00 174.94 175.57 3h49 s LYS 227 N 1.49 4.40 -0.27 2.79 2.20 -1.26 -0.26 119.74 128.83 3h49 s LYS 227 Ca 0.03 1.77 0.10 0.00 -0.36 0.00 0.00 55.97 57.51 3h49 s LYS 227 Cb -0.16 -3.40 0.50 0.00 -1.51 0.00 0.00 37.83 33.26 3h49 s LYS 227 CO 0.01 -0.32 1.45 0.25 -0.36 0.00 0.00 175.35 176.38 3h49 n THR 228 N 4.12 2.50 0.00 3.43 -2.24 -0.12 -4.51 114.28 117.46 3h49 n THR 228 Ca 0.10 -2.60 0.00 0.00 -2.27 0.00 0.00 64.05 59.28 3h49 n THR 228 Cb 0.46 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3h49 n THR 228 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h49 n GLY 229 N -1.04 0.00 0.00 3.38 0.00 -1.22 -2.70 105.19 103.62 3h49 n GLY 229 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3h49 n GLY 229 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h49 n LYS 230 N 1.15 0.00 -0.04 1.61 4.76 -1.26 -4.68 118.16 119.70 3h49 n LYS 230 Ca 0.00 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.47 3h49 n LYS 230 Cb 0.00 0.00 0.11 0.00 -1.84 0.00 0.00 35.03 33.30 3h49 n LYS 230 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3h49 n ASP 231 N 2.03 0.48 0.00 4.39 8.00 -1.10 -4.19 116.55 126.16 3h49 n ASP 231 Ca 0.00 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.58 3h49 n ASP 231 Cb 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 3h49 n ASP 231 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h49 n GLY 232 N 0.68 1.86 3.29 0.44 0.00 -1.26 -4.17 105.19 106.03 3h49 n GLY 232 Ca 0.05 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 3h49 n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h49 s PHE 234 N -2.88 2.81 -0.06 0.00 5.36 0.64 -1.47 117.98 122.38 3h49 s PHE 234 Ca -0.03 -1.03 0.06 0.00 -0.96 0.00 0.00 56.93 54.98 3h49 s PHE 234 Cb 0.00 -1.92 -0.01 0.00 -0.34 0.00 0.00 43.02 40.75 3h49 s PHE 234 CO -0.05 -0.48 -0.25 0.42 -1.46 0.00 0.00 175.22 173.40 3h49 s ILE 235 N 0.89 2.09 0.01 3.12 1.01 -1.26 -0.44 121.20 126.62 3h49 s ILE 235 Ca -0.04 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 59.57 3h49 s ILE 235 Cb -0.15 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 3h49 s ILE 235 CO -0.01 0.57 -0.05 -0.75 0.00 0.00 0.00 174.94 174.71 3h49 s LYS 236 N -0.21 0.35 0.42 2.79 2.20 -0.47 -4.28 119.74 120.54 3h49 s LYS 236 Ca -0.02 -0.33 0.04 0.00 -0.36 0.00 0.00 55.97 55.29 3h49 s LYS 236 Cb -0.13 -0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 35.93 3h49 s LYS 236 CO 0.03 0.06 0.13 0.50 -0.36 0.00 0.00 175.35 175.71 3h49 s ARG 237 N -0.60 1.97 0.00 4.03 3.52 -1.26 -1.39 118.95 125.21 3h49 s ARG 237 Ca -0.03 -2.21 0.09 0.00 -0.13 0.00 0.00 55.73 53.45 3h49 s ARG 237 Cb -0.04 -0.64 0.56 0.00 -1.56 0.00 0.00 34.95 33.27 3h49 s ARG 237 CO -0.00 -0.50 1.04 0.41 -0.81 0.00 0.00 175.30 175.44 3h49 n GLY 238 N -0.95 -0.56 2.69 8.12 0.00 -1.26 -4.80 105.19 108.43 3h49 n GLY 238 Ca -0.07 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 3h49 n GLY 238 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h49 n ASP 239 N -0.76 -1.70 -3.30 1.61 5.75 -1.26 -5.23 116.55 111.65 3h49 n ASP 239 Ca 0.07 -2.35 -0.14 0.00 -0.01 0.00 0.00 54.79 52.36 3h49 n ASP 239 Cb 0.03 0.86 -0.04 0.00 -1.03 0.00 0.00 41.12 40.94 3h49 n ASP 239 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3h49 s THR 241 N 0.16 0.00 -0.29 2.12 -4.23 -1.26 -5.22 115.64 106.92 3h49 s THR 241 Ca 0.16 -1.60 -0.14 0.00 -1.18 0.00 0.00 61.69 58.92 3h49 s THR 241 Cb 0.42 -2.61 0.13 0.00 1.34 0.00 0.00 72.50 71.78 3h49 s THR 241 CO -0.11 0.00 0.81 -0.54 -0.54 0.00 0.00 174.62 174.24 3h49 s LYS 243 N -3.13 0.51 -0.27 3.99 1.02 -1.26 -5.00 119.74 115.60 3h49 s LYS 243 Ca 0.30 1.05 0.03 0.00 0.02 0.00 0.00 55.97 57.37 3h49 s LYS 243 Cb -0.00 0.38 0.06 0.00 -0.52 0.00 0.00 37.83 37.75 3h49 s LYS 243 CO 0.20 -0.14 -0.09 0.08 -0.92 0.00 0.00 175.35 174.48 3h49 s VAL 244 N 2.07 2.23 0.96 3.17 1.01 -0.54 -5.00 120.40 124.30 3h49 s VAL 244 Ca -0.07 -1.66 -0.12 0.00 0.00 0.00 0.00 61.98 60.14 3h49 s VAL 244 Cb -0.07 -2.33 0.17 0.00 0.00 0.00 0.00 36.38 34.15 3h49 s VAL 244 CO -0.18 -0.06 1.09 -2.16 0.00 0.00 0.00 175.10 173.78 3h49 s PRO 245 N 1.10 0.71 0.00 2.72 0.04 -1.26 -0.86 135.00 137.45 3h49 s PRO 245 Ca -0.08 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.79 3h49 s PRO 245 Cb -0.20 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3h49 s PRO 245 CO -0.05 -2.62 0.00 0.00 0.04 0.00 0.00 177.00 174.37 3h49 n ALA 246 N -4.15 0.00 0.00 8.56 0.00 -1.26 -4.73 120.51 118.93 3h49 n ALA 246 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3h49 n ALA 246 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3h49 n ALA 246 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h49 n THR 255 N 0.00 0.00 0.02 0.00 -2.24 -1.26 -5.05 114.28 105.76 3h49 n THR 255 Ca 0.00 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.67 3h49 n THR 255 Cb 0.00 -0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.09 3h49 n THR 255 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3h49 h ILE 256 N 0.00 0.97 -0.67 2.28 1.08 -2.02 -3.06 117.51 116.10 3h49 h ILE 256 Ca 0.00 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 3h49 h ILE 256 Cb 0.10 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 3h49 h ILE 256 CO 0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 3h49 n GLY 257 N -1.11 2.64 0.29 5.37 0.00 -1.26 -4.63 105.19 106.49 3h49 n GLY 257 Ca -0.06 -0.78 -0.04 0.00 0.00 0.00 0.00 46.02 45.13 3h49 n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h49 h ALA 258 N 4.00 0.11 -0.72 4.61 0.00 -1.89 0.55 119.26 125.91 3h49 h ALA 258 Ca 0.00 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.14 3h49 h ALA 258 Cb 1.12 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 19.47 3h49 h ALA 258 CO 0.08 -0.58 0.43 0.78 0.00 0.00 0.00 179.25 179.95 3h49 h GLY 259 N -0.12 1.06 1.16 0.00 0.00 -1.82 0.46 103.07 103.81 3h49 h GLY 259 Ca 0.24 -0.31 -0.15 0.00 0.00 0.00 0.00 47.33 47.11 3h49 h GLY 259 CO -0.60 0.21 -0.31 -0.55 0.00 0.00 0.00 176.54 175.29 3h49 h ASP 260 N 0.80 0.98 -0.59 0.19 3.32 -1.64 -2.20 116.42 117.29 3h49 h ASP 260 Ca 0.31 -0.42 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 3h49 h ASP 260 Cb 0.14 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3h49 h ASP 260 CO -0.16 1.21 0.23 0.78 -1.72 0.00 0.00 179.24 179.58 3h49 h ASN 261 N 0.78 0.82 0.68 6.45 2.35 -0.46 -1.13 115.58 125.07 3h49 h ASN 261 Ca 0.08 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 3h49 h ASN 261 Cb 0.90 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.06 3h49 h ASN 261 CO 0.08 0.77 -0.36 0.15 -1.65 0.00 0.00 177.43 176.42 3h49 h PHE 262 N 0.81 -0.94 -0.81 1.19 3.57 -0.78 -0.74 116.94 119.25 3h49 h PHE 262 Ca 0.20 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.70 3h49 h PHE 262 Cb 0.21 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 3h49 h PHE 262 CO 0.01 -0.57 0.53 0.00 -2.23 0.00 0.00 178.31 176.06 3h49 h ALA 263 N -0.66 1.47 -0.57 2.41 0.00 -1.36 0.05 119.26 120.59 3h49 h ALA 263 Ca -0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3h49 h ALA 263 Cb 0.75 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3h49 h ALA 263 CO 0.13 0.47 0.11 0.77 0.00 0.00 0.00 179.25 180.73 3h49 h SER 264 N 1.05 0.89 -0.13 0.00 0.02 -1.05 0.03 113.55 114.36 3h49 h SER 264 Ca 0.31 -0.25 -0.15 0.00 -0.84 0.00 0.00 61.79 60.86 3h49 h SER 264 Cb -0.04 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 3h49 h SER 264 CO -0.08 0.91 -0.47 1.23 -1.14 0.00 0.00 176.83 177.29 3h49 h GLY 265 N 0.84 0.75 0.97 -3.77 0.00 -0.52 -0.63 103.07 100.70 3h49 h GLY 265 Ca 0.18 -0.81 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 3h49 h GLY 265 CO 0.01 0.72 0.21 -2.75 0.00 0.00 0.00 176.54 174.74 3h49 h PHE 266 N 0.55 0.73 -0.63 5.60 3.57 -0.74 -1.71 116.94 124.30 3h49 h PHE 266 Ca 0.03 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 3h49 h PHE 266 Cb 1.02 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.51 3h49 h PHE 266 CO 0.05 0.59 0.19 0.82 -2.23 0.00 0.00 178.31 177.73 3h49 h ILE 267 N 0.65 1.25 -0.64 1.41 2.04 -0.86 -1.43 117.51 119.94 3h49 h ILE 267 Ca 0.17 -0.87 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 3h49 h ILE 267 Cb 0.16 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3h49 h ILE 267 CO -0.02 0.33 0.39 0.00 0.00 0.00 0.00 178.15 178.85 3h49 h ALA 268 N 1.07 0.81 -0.70 1.87 0.00 -0.89 -1.96 119.26 119.45 3h49 h ALA 268 Ca 0.20 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3h49 h ALA 268 Cb 0.31 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3h49 h ALA 268 CO -0.00 0.28 0.22 0.00 0.00 0.00 0.00 179.25 179.74 3h49 h ALA 269 N 1.20 0.92 -0.55 0.00 0.00 -1.02 -2.72 119.26 117.10 3h49 h ALA 269 Ca 0.23 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3h49 h ALA 269 Cb -0.03 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3h49 h ALA 269 CO -0.04 0.60 0.36 -0.07 0.00 0.00 0.00 179.25 180.10 3h49 h LEU 270 N 1.03 0.62 -2.44 0.00 3.38 -0.92 -1.49 115.31 115.49 3h49 h LEU 270 Ca 0.23 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3h49 h LEU 270 Cb 0.30 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3h49 h LEU 270 CO -0.01 0.45 -0.03 -0.07 0.09 0.00 0.00 178.44 178.87 3h49 h LEU 271 N 0.73 0.00 -1.81 1.67 3.38 -1.12 -1.06 115.31 117.11 3h49 h LEU 271 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3h49 h LEU 271 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3h49 h LEU 271 CO -0.05 0.03 0.00 -0.62 0.09 0.00 0.00 178.44 177.89 3h49 n GLU 272 N -3.45 2.16 -1.64 1.13 1.02 -0.61 -4.94 120.64 114.32 3h49 n GLU 272 Ca -0.02 -1.78 -0.10 0.00 -0.02 0.00 0.00 57.16 55.24 3h49 n GLU 272 Cb 0.13 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.09 3h49 n GLU 272 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h49 n GLY 273 N 1.33 0.68 3.82 0.62 0.00 -0.40 -5.01 105.19 106.23 3h49 n GLY 273 Ca 0.18 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 3h49 n GLY 273 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h49 s LYS 274 N -3.49 3.87 0.89 1.61 1.02 -0.91 -5.04 119.74 117.70 3h49 s LYS 274 Ca 0.00 1.16 -0.12 0.00 0.02 0.00 0.00 55.97 57.03 3h49 s LYS 274 Cb 0.00 -2.12 0.13 0.00 -0.52 0.00 0.00 37.83 35.32 3h49 s LYS 274 CO 0.00 -0.35 1.11 0.54 -0.92 0.00 0.00 175.35 175.73 3h49 s ASN 275 N -2.48 3.59 0.23 2.83 2.20 -1.26 -4.70 114.94 115.35 3h49 s ASN 275 Ca 0.63 1.21 -0.06 0.00 -0.94 0.00 0.00 52.86 53.70 3h49 s ASN 275 Cb -0.13 -1.88 0.39 0.00 -2.00 0.00 0.00 41.25 37.64 3h49 s ASN 275 CO 0.24 -2.53 1.72 0.25 -2.94 0.00 0.00 177.10 173.84 3h49 h LEU 276 N -1.48 0.17 -0.16 3.54 5.85 -1.99 -0.05 115.31 121.19 3h49 h LEU 276 Ca -0.50 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.34 3h49 h LEU 276 Cb 1.30 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 3h49 h LEU 276 CO 0.59 0.06 0.06 -0.09 -0.34 0.00 0.00 178.44 178.72 3h49 h ARG 277 N 0.37 0.13 -0.34 1.25 2.43 -2.00 -1.19 114.38 115.03 3h49 h ARG 277 Ca 0.38 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.49 3h49 h ARG 277 Cb 0.57 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3h49 h ARG 277 CO -0.41 0.09 0.02 0.93 -1.51 0.00 0.00 179.97 179.09 3h49 h GLU 278 N 0.13 0.52 -0.41 0.20 5.08 -1.70 -0.72 114.58 117.69 3h49 h GLU 278 Ca 0.07 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 3h49 h GLU 278 Cb 0.03 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3h49 h GLU 278 CO -0.06 0.53 -0.02 0.00 -1.00 0.00 0.00 179.01 178.46 3h49 h ALA 280 N 0.88 0.64 -0.58 0.00 0.00 -0.79 -0.18 119.26 119.22 3h49 h ALA 280 Ca 0.11 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3h49 h ALA 280 Cb 0.51 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3h49 h ALA 280 CO 0.02 0.36 0.14 0.00 0.00 0.00 0.00 179.25 179.77 3h49 h ARG 281 N 0.67 0.94 -0.69 0.00 3.08 -1.01 0.47 114.38 117.83 3h49 h ARG 281 Ca 0.15 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.89 3h49 h ARG 281 Cb 0.37 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 3h49 h ARG 281 CO 0.01 0.87 0.13 0.35 -1.07 0.00 0.00 179.97 180.26 3h49 h PHE 282 N 0.84 1.19 -0.40 3.04 3.57 -0.82 0.05 116.94 124.42 3h49 h PHE 282 Ca 0.18 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3h49 h PHE 282 Cb 0.36 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3h49 h PHE 282 CO 0.03 0.98 0.15 0.00 -2.23 0.00 0.00 178.31 177.24 3h49 h ALA 283 N 1.07 0.52 -0.69 2.41 0.00 -0.69 0.07 119.26 121.94 3h49 h ALA 283 Ca 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 3h49 h ALA 283 Cb 0.42 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3h49 h ALA 283 CO 0.01 0.13 0.30 -0.91 0.00 0.00 0.00 179.25 178.78 3h49 h ASN 284 N 0.50 0.93 -0.43 0.00 2.35 -0.57 -2.00 115.58 116.36 3h49 h ASN 284 Ca 0.13 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 3h49 h ASN 284 Cb 0.20 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3h49 h ASN 284 CO -0.01 0.83 -0.09 0.00 -1.65 0.00 0.00 177.43 176.51 3h49 h ALA 285 N 1.14 0.92 -0.41 -0.83 0.00 -0.74 -0.87 119.26 118.46 3h49 h ALA 285 Ca 0.23 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3h49 h ALA 285 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3h49 h ALA 285 CO -0.02 0.63 -0.07 1.15 0.00 0.00 0.00 179.25 180.94 3h49 h THR 286 N 0.80 1.24 -0.25 0.00 2.02 -0.76 -0.17 112.91 115.79 3h49 h THR 286 Ca 0.13 -1.06 -0.16 0.00 0.77 0.00 0.00 66.41 66.09 3h49 h THR 286 Cb 0.61 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 3h49 h THR 286 CO 0.04 0.36 -0.50 0.00 0.37 0.00 0.00 175.52 175.79 3h49 h ALA 287 N 1.27 0.65 -0.47 6.16 0.00 -1.05 -1.61 119.26 124.21 3h49 h ALA 287 Ca 0.12 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 3h49 h ALA 287 Cb 0.51 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3h49 h ALA 287 CO 0.03 0.68 -0.11 0.00 0.00 0.00 0.00 179.25 179.85 3h49 h ALA 288 N 0.89 0.64 0.00 0.00 0.00 -0.76 -2.92 119.26 117.11 3h49 h ALA 288 Ca 0.02 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3h49 h ALA 288 Cb 1.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3h49 h ALA 288 CO 0.10 0.54 -0.43 0.82 0.00 0.00 0.00 179.25 180.28 3h49 h ILE 289 N 0.74 0.98 -5.18 0.00 1.08 -1.01 -3.48 117.51 110.64 3h49 h ILE 289 Ca 0.12 -1.68 -0.18 0.00 -0.39 0.00 0.00 64.86 62.73 3h49 h ILE 289 Cb 0.66 2.00 0.14 0.00 -3.07 0.00 0.00 36.82 36.55 3h49 h ILE 289 CO 0.05 0.42 -0.61 -1.20 -0.69 0.00 0.00 178.15 176.11 3h49 n SER 290 N -3.56 -6.38 -0.01 1.72 7.64 -0.61 -4.69 113.62 107.72 3h49 n SER 290 Ca -0.00 -0.52 0.07 0.00 1.01 0.00 0.00 58.87 59.43 3h49 n SER 290 Cb 0.54 -4.76 0.46 0.00 -1.01 0.00 0.00 64.21 59.45 3h49 n SER 290 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3h49 h VAL 291 N -0.69 1.02 -0.62 0.44 2.07 -1.86 -1.40 116.25 115.22 3h49 h VAL 291 Ca -0.44 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 66.84 3h49 h VAL 291 Cb 1.22 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3h49 h VAL 291 CO 0.37 0.09 0.07 0.25 0.02 0.00 0.00 177.57 178.37 3h49 h LEU 292 N 0.47 0.98 0.14 2.57 5.85 -1.90 0.11 115.31 123.53 3h49 h LEU 292 Ca 0.19 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3h49 h LEU 292 Cb 0.16 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3h49 h LEU 292 CO -0.05 1.00 -0.07 -1.28 -0.34 0.00 0.00 178.44 177.70 3h49 h SER 293 N 0.96 -0.16 1.69 1.25 0.87 -1.70 -3.38 113.55 113.07 3h49 h SER 293 Ca 0.19 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3h49 h SER 293 Cb 0.45 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 3h49 h SER 293 CO 0.02 0.38 -0.15 -0.37 -0.53 0.00 0.00 176.83 176.17 3h49 h VAL 294 N -1.02 0.00 0.00 2.23 -1.51 -1.39 -3.37 116.25 111.20 3h49 h VAL 294 Ca -0.02 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.61 3h49 h VAL 294 Cb 0.31 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 3h49 h VAL 294 CO 0.03 0.00 0.13 0.61 -1.23 0.00 0.00 177.57 177.11 3h49 n GLY 295 N 1.18 -0.75 0.13 5.19 0.00 0.37 -2.61 105.19 108.70 3h49 n GLY 295 Ca 0.04 0.16 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 3h49 n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h49 h ALA 296 N 1.64 0.00 -0.30 4.61 0.00 -1.80 -3.38 119.26 120.03 3h49 h ALA 296 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.00 3h49 h ALA 296 Cb 0.26 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3h49 h ALA 296 CO 0.00 0.67 0.00 0.25 0.00 0.00 0.00 179.25 180.17 3h49 n THR 297 N -3.90 0.38 -1.35 0.00 -2.24 -1.07 -4.98 114.28 101.10 3h49 n THR 297 Ca -0.19 -0.69 -0.31 0.00 -2.27 0.00 0.00 64.05 60.59 3h49 n THR 297 Cb 0.94 1.12 0.08 0.00 -2.10 0.00 0.00 70.33 70.38 3h49 n THR 297 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3h49 s THR 298 N -1.61 3.48 -0.35 4.28 -1.32 -1.11 -4.97 115.64 114.04 3h49 s THR 298 Ca 0.36 0.48 0.12 0.00 -1.21 0.00 0.00 61.69 61.44 3h49 s THR 298 Cb 0.22 -3.05 -0.15 0.00 -1.51 0.00 0.00 72.50 68.01 3h49 s THR 298 CO 0.31 -0.63 0.41 0.61 -2.21 0.00 0.00 174.62 173.11 3h49 n GLY 299 N -1.46 -0.30 3.84 6.08 0.00 -1.26 -5.01 105.19 107.08 3h49 n GLY 299 Ca 0.08 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 3h49 n GLY 299 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h49 s VAL 300 N -2.41 4.00 -0.29 1.61 1.01 -1.26 -5.03 120.40 118.03 3h49 s VAL 300 Ca 0.01 -1.38 -0.35 0.00 0.00 0.00 0.00 61.98 60.26 3h49 s VAL 300 Cb 0.09 -3.30 -0.12 0.00 0.00 0.00 0.00 36.38 33.05 3h49 s VAL 300 CO 0.50 -0.26 2.08 1.17 0.00 0.00 0.00 175.10 178.58 3h49 n LYS 301 N -1.28 1.33 -0.33 2.72 4.81 -1.26 -4.83 118.16 119.31 3h49 n LYS 301 Ca -0.05 0.41 0.18 0.00 -0.87 0.00 0.00 58.31 57.98 3h49 n LYS 301 Cb 0.59 -2.49 0.35 0.00 0.02 0.00 0.00 35.03 33.50 3h49 n LYS 301 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3h49 h ASN 302 N 11.30 -0.24 0.80 3.14 -0.26 -1.95 0.28 115.58 128.65 3h49 h ASN 302 Ca -0.34 0.26 0.00 0.00 -0.56 0.00 0.00 56.30 55.66 3h49 h ASN 302 Cb 1.31 0.41 0.00 0.00 -1.06 0.00 0.00 38.32 38.97 3h49 h ASN 302 CO 1.00 -0.34 0.00 0.08 -1.06 0.00 0.00 177.43 177.11 3h49 h ARG 303 N 0.04 0.00 -0.40 0.81 0.11 -1.87 -2.38 114.38 110.69 3h49 h ARG 303 Ca 0.64 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.68 3h49 h ARG 303 Cb 1.41 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.47 3h49 h ARG 303 CO -0.85 0.00 0.08 0.87 0.10 0.00 0.00 179.97 180.18 3h49 h LYS 304 N 0.00 0.59 -0.62 0.08 1.79 -0.80 0.66 116.57 118.28 3h49 h LYS 304 Ca 0.00 -0.11 -0.05 0.00 -2.18 0.00 0.00 60.65 58.31 3h49 h LYS 304 Cb 0.40 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 3h49 h LYS 304 CO 0.00 0.56 0.18 -0.07 -1.08 0.00 0.00 179.45 179.03 3h49 h LEU 305 N 0.58 0.92 0.03 2.94 3.38 -1.51 0.70 115.31 122.34 3h49 h LEU 305 Ca 0.13 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3h49 h LEU 305 Cb 0.24 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h49 h LEU 305 CO -0.00 0.89 -0.02 0.58 0.09 0.00 0.00 178.44 179.99 3h49 h VAL 306 N 0.89 1.25 -0.97 1.22 2.07 -1.41 -2.43 116.25 116.87 3h49 h VAL 306 Ca 0.20 -0.92 0.04 0.00 0.82 0.00 0.00 66.70 66.85 3h49 h VAL 306 Cb 0.32 1.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 3h49 h VAL 306 CO -0.00 0.23 0.63 -0.33 0.02 0.00 0.00 177.57 178.12 3h49 h GLU 307 N -0.45 1.17 -0.80 1.57 5.08 -0.82 -1.51 114.58 118.81 3h49 h GLU 307 Ca -0.00 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3h49 h GLU 307 Cb 0.41 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 3h49 h GLU 307 CO 0.01 0.77 0.52 1.96 -1.00 0.00 0.00 179.01 181.27 3h49 h GLN 308 N 1.20 1.01 -0.67 2.33 4.20 -0.81 -2.28 115.11 120.09 3h49 h GLN 308 Ca 0.40 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 59.02 3h49 h GLN 308 Cb 0.05 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 3h49 h GLN 308 CO -0.14 0.67 0.31 1.25 -0.67 0.00 0.00 178.83 180.26 3h49 h LEU 309 N 1.05 0.87 0.00 1.46 5.85 -0.78 -3.51 115.31 120.24 3h49 h LEU 309 Ca 0.30 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3h49 h LEU 309 Cb -0.07 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.74 3h49 h LEU 309 CO -0.08 0.74 0.00 0.18 -0.34 0.00 0.00 178.44 178.94