#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h49 s LEU 4 N 0.00 3.53 -0.20 -4.53 2.96 -1.26 -3.80 118.68 115.38 3h49 s LEU 4 Ca 0.00 1.07 -0.08 0.00 -0.22 0.00 0.00 54.13 54.90 3h49 s LEU 4 Cb 0.00 -3.49 -0.20 0.00 0.50 0.00 0.00 46.19 42.99 3h49 s LEU 4 CO 0.00 -1.61 0.06 0.47 -1.32 0.00 0.00 176.35 173.95 3h49 n ASP 5 N 9.72 2.01 -4.21 3.68 8.00 -0.25 -4.08 116.55 131.42 3h49 n ASP 5 Ca 0.20 0.16 -0.22 0.00 0.71 0.00 0.00 54.79 55.63 3h49 n ASP 5 Cb 0.47 -0.74 -0.13 0.00 -0.02 0.00 0.00 41.12 40.70 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 -2.51 1.41 -0.19 2.53 1.01 -0.81 -1.31 120.40 120.53 3h49 s VAL 6 Ca -0.30 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 60.50 3h49 s VAL 6 Cb 0.08 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.22 3h49 s VAL 6 CO 0.65 0.04 -0.17 -0.63 0.00 0.00 0.00 175.10 174.99 3h49 s ILE 7 N -0.92 2.23 -0.24 2.22 1.01 -0.59 -0.62 121.20 124.30 3h49 s ILE 7 Ca 0.04 -0.94 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 3h49 s ILE 7 Cb -0.09 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 3h49 s ILE 7 CO 0.02 0.48 0.06 0.00 0.00 0.00 0.00 174.94 175.50 3h49 s ILE 9 N 1.42 4.10 0.00 0.00 1.01 -0.35 -4.43 121.20 122.95 3h49 s ILE 9 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.44 3h49 s ILE 9 Cb -0.15 -2.86 0.00 0.00 0.01 0.00 0.00 42.46 39.46 3h49 s ILE 9 CO 0.03 0.42 0.00 0.61 0.00 0.00 0.00 174.94 176.00 3h49 n GLY 10 N 4.22 1.27 3.69 6.18 0.00 -1.26 0.40 105.19 119.68 3h49 n GLY 10 Ca -0.17 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 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 3.33 -0.21 4.61 0.00 -1.26 -4.29 121.76 121.94 3h49 s ALA 11 Ca 0.00 0.43 -0.13 0.00 0.00 0.00 0.00 51.96 52.26 3h49 s ALA 11 Cb 0.00 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 3h49 s ALA 11 CO 0.00 -0.50 0.25 0.00 0.00 0.00 0.00 175.76 175.51 3h49 s ALA 12 N 1.72 3.60 0.31 0.00 0.00 -1.26 -4.39 121.76 121.74 3h49 s ALA 12 Ca 0.50 -0.70 0.04 0.00 0.00 0.00 0.00 51.96 51.80 3h49 s ALA 12 Cb -0.19 -2.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 3h49 s ALA 12 CO 0.21 -0.16 0.16 0.44 0.00 0.00 0.00 175.76 176.41 3h49 n ILE 13 N 4.15 0.00 -5.02 0.00 -5.35 -0.60 -4.74 119.36 107.80 3h49 n ILE 13 Ca -0.13 -1.94 -0.29 0.00 -0.27 0.00 0.00 62.75 60.12 3h49 n ILE 13 Cb 0.52 0.80 -0.16 0.00 -1.74 0.00 0.00 39.64 39.05 3h49 n ILE 13 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3h49 s VAL 14 N -2.90 1.72 0.01 7.28 1.01 -0.70 -0.09 120.40 126.73 3h49 s VAL 14 Ca 0.22 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3h49 s VAL 14 Cb 0.01 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 3h49 s VAL 14 CO 0.16 0.48 0.04 -1.81 0.00 0.00 0.00 175.10 173.97 3h49 s ASP 15 N 0.12 5.38 -0.34 3.32 1.01 0.78 -0.61 116.67 126.33 3h49 s ASP 15 Ca -0.08 0.05 -0.01 0.00 0.71 0.00 0.00 52.55 53.22 3h49 s ASP 15 Cb -0.14 -1.46 0.12 0.00 1.01 0.00 0.00 42.92 42.44 3h49 s ASP 15 CO 0.04 0.27 0.17 -0.63 0.21 0.00 0.00 175.17 175.23 3h49 s ILE 16 N -1.16 0.51 -0.01 0.77 1.01 -0.29 -1.36 121.20 120.68 3h49 s ILE 16 Ca 0.22 -1.58 -0.28 0.00 0.00 0.00 0.00 60.65 59.01 3h49 s ILE 16 Cb -0.12 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 40.93 3h49 s ILE 16 CO 0.13 -0.84 0.88 -2.16 0.00 0.00 0.00 174.94 172.95 3h49 s PRO 17 N 1.30 4.53 -0.31 2.79 0.04 -1.26 -1.53 135.00 140.56 3h49 s PRO 17 Ca 0.14 1.23 -0.07 0.00 0.04 0.00 0.00 61.00 62.34 3h49 s PRO 17 Cb -0.20 -3.44 0.01 0.00 0.04 0.00 0.00 34.50 30.91 3h49 s PRO 17 CO -0.14 0.03 0.10 -0.51 0.04 0.00 0.00 177.00 176.52 3h49 s LEU 18 N 0.79 4.01 -0.16 -3.56 1.43 0.89 -4.64 118.68 117.44 3h49 s LEU 18 Ca 0.46 -0.78 -0.14 0.00 -1.03 0.00 0.00 54.13 52.64 3h49 s LEU 18 Cb -0.20 -1.90 0.04 0.00 0.03 0.00 0.00 46.19 44.16 3h49 s LEU 18 CO 0.25 -0.23 0.41 -1.58 0.23 0.00 0.00 176.35 175.43 3h49 s GLN 19 N 1.50 0.48 -0.04 1.70 0.74 -1.26 -1.19 119.66 121.58 3h49 s GLN 19 Ca 0.02 0.59 -0.11 0.00 0.05 0.00 0.00 55.36 55.91 3h49 s GLN 19 Cb -0.18 0.21 -0.05 0.00 1.10 0.00 0.00 33.01 34.10 3h49 s GLN 19 CO 0.03 -0.07 0.30 -1.25 -0.55 0.00 0.00 175.29 173.76 3h49 s PRO 20 N 0.31 3.72 0.22 1.67 0.04 -1.26 -4.70 135.00 135.00 3h49 s PRO 20 Ca -0.01 0.18 0.02 0.00 0.04 0.00 0.00 61.00 61.23 3h49 s PRO 20 Cb -0.03 -3.19 -0.05 0.00 0.04 0.00 0.00 34.50 31.26 3h49 s PRO 20 CO -0.01 0.72 0.04 0.14 0.04 0.00 0.00 177.00 177.94 3h49 s VAL 21 N -1.08 0.70 0.35 -0.36 -7.23 0.19 -4.93 120.40 108.03 3h49 s VAL 21 Ca 0.21 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.25 3h49 s VAL 21 Cb -0.15 -2.40 0.03 0.00 0.56 0.00 0.00 36.38 34.43 3h49 s VAL 21 CO 0.10 -0.24 0.68 -0.94 -0.31 0.00 0.00 175.10 174.40 3h49 s SER 22 N -3.26 0.16 0.61 4.85 1.04 -1.26 -3.91 113.70 111.93 3h49 s SER 22 Ca 0.31 -1.12 0.30 0.00 0.48 0.00 0.00 55.95 55.91 3h49 s SER 22 Cb 0.07 0.77 1.60 0.00 0.10 0.00 0.00 66.02 68.56 3h49 s SER 22 CO 0.09 -1.50 1.98 0.11 0.98 0.00 0.00 173.24 174.90 3h49 h LYS 23 N 2.05 0.00 0.00 4.02 1.57 -2.02 -1.75 116.57 120.44 3h49 h LYS 23 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 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 0.37 0.00 0.00 -0.91 -0.57 0.00 0.00 179.45 178.34 3h49 h ASN 24 N 0.00 0.00 0.19 0.86 2.35 -2.02 -2.06 115.58 114.90 3h49 h ASN 24 Ca 0.12 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3h49 h ASN 24 Cb 0.80 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.17 3h49 h ASN 24 CO -0.00 0.00 -0.05 0.16 -1.65 0.00 0.00 177.43 175.89 3h49 h ILE 25 N 0.00 0.45 0.00 2.81 3.07 -1.71 -1.16 117.51 120.96 3h49 h ILE 25 Ca 0.00 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.17 3h49 h ILE 25 Cb 0.01 1.16 0.00 0.00 -0.27 0.00 0.00 36.82 37.72 3h49 h ILE 25 CO 0.00 0.05 0.00 0.49 -1.05 0.00 0.00 178.15 177.64 3h49 n PHE 26 N -3.63 0.37 1.32 0.16 3.72 -0.77 -3.55 117.46 115.07 3h49 n PHE 26 Ca -0.02 0.12 0.14 0.00 -0.05 0.00 0.00 57.45 57.63 3h49 n PHE 26 Cb 0.15 -0.69 0.58 0.00 -0.94 0.00 0.00 39.48 38.59 3h49 n PHE 26 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3h49 n ASP 27 N -1.81 0.39 -4.32 4.37 8.00 -0.44 -4.88 116.55 117.87 3h49 n ASP 27 Ca 0.06 -0.39 -0.17 0.00 0.71 0.00 0.00 54.79 55.00 3h49 n ASP 27 Cb 0.33 -0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 41.23 3h49 n ASP 27 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3h49 s VAL 28 N -2.60 1.42 0.22 2.53 -7.23 -1.23 -5.05 120.40 108.46 3h49 s VAL 28 Ca 0.25 -2.12 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 3h49 s VAL 28 Cb 0.20 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 35.04 3h49 s VAL 28 CO 0.50 -0.59 1.55 0.44 -0.31 0.00 0.00 175.10 176.69 3h49 h ASP 29 N 2.60 0.37 -3.14 4.85 3.32 -1.89 -3.43 116.42 119.09 3h49 h ASP 29 Ca -0.38 -0.21 -0.28 0.00 0.02 0.00 0.00 57.03 56.19 3h49 h ASP 29 Cb 1.21 -0.11 -0.35 0.00 0.22 0.00 0.00 39.33 40.31 3h49 h ASP 29 CO 0.63 0.88 -0.62 -0.55 -1.72 0.00 0.00 179.24 177.86 3h49 s SER 30 N -6.91 0.55 -0.28 6.45 0.15 -1.26 -5.13 113.70 107.28 3h49 s SER 30 Ca -0.05 0.34 -0.05 0.00 0.70 0.00 0.00 55.95 56.90 3h49 s SER 30 Cb 0.12 0.28 0.02 0.00 -1.71 0.00 0.00 66.02 64.73 3h49 s SER 30 CO 0.81 -0.23 0.02 -0.47 1.20 0.00 0.00 173.24 174.58 3h49 s TYR 31 N 2.08 3.12 0.08 3.44 5.04 -1.26 -5.10 117.35 124.75 3h49 s TYR 31 Ca 0.01 -1.25 -0.21 0.00 -2.44 0.00 0.00 57.07 53.18 3h49 s TYR 31 Cb -0.12 -2.17 -0.07 0.00 0.35 0.00 0.00 41.96 39.95 3h49 s TYR 31 CO -0.06 -0.65 0.63 -1.25 -1.34 0.00 0.00 175.55 172.88 3h49 s PRO 32 N 1.42 4.32 0.29 4.97 0.04 -1.26 -5.08 135.00 139.69 3h49 s PRO 32 Ca 0.01 0.85 0.10 0.00 0.04 0.00 0.00 61.00 62.01 3h49 s PRO 32 Cb -0.17 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 3h49 s PRO 32 CO -0.00 0.57 -0.06 -0.51 0.04 0.00 0.00 177.00 177.04 3h49 s LEU 33 N -0.94 2.96 0.41 -3.56 1.43 -1.26 -5.03 118.68 112.68 3h49 s LEU 33 Ca 0.31 -0.85 0.27 0.00 -1.03 0.00 0.00 54.13 52.84 3h49 s LEU 33 Cb -0.20 -1.44 0.89 0.00 0.03 0.00 0.00 46.19 45.46 3h49 s LEU 33 CO 0.21 -0.05 1.79 -0.33 0.23 0.00 0.00 176.35 178.19 3h49 h GLU 34 N 1.98 0.00 -1.58 1.70 4.39 -1.98 -3.45 114.58 115.64 3h49 h GLU 34 Ca -0.43 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.35 3h49 h GLU 34 Cb 1.25 0.00 -0.25 0.00 -0.10 0.00 0.00 28.75 29.66 3h49 h GLU 34 CO 0.62 0.00 0.50 0.50 -1.16 0.00 0.00 179.01 179.47 3h49 s ARG 35 N -3.37 0.55 -0.14 2.33 3.52 -1.26 -5.13 118.95 115.45 3h49 s ARG 35 Ca 0.05 0.37 -0.03 0.00 -0.13 0.00 0.00 55.73 55.99 3h49 s ARG 35 Cb 0.08 0.26 0.05 0.00 -1.56 0.00 0.00 34.95 33.78 3h49 s ARG 35 CO 0.57 -0.12 0.06 0.42 -0.81 0.00 0.00 175.30 175.41 3h49 s ILE 36 N -0.43 0.11 0.00 4.11 1.01 -1.26 -4.78 121.20 119.96 3h49 s ILE 36 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.56 3h49 s ILE 36 Cb -0.03 -0.59 0.00 0.00 0.01 0.00 0.00 42.46 41.86 3h49 s ILE 36 CO -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 174.94 174.82 3h49 n ALA 37 N 5.21 0.00 0.00 9.38 0.00 -1.26 -5.11 120.51 128.73 3h49 n ALA 37 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3h49 n ALA 37 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.46 0.00 -2.24 -0.46 -4.08 114.28 105.04 3h49 n THR 39 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 3h49 n THR 39 Cb 0.00 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 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 -2.00 3.50 0.12 4.28 -4.23 -1.26 -0.16 115.64 115.89 3h49 s THR 40 Ca 0.00 1.28 0.00 0.00 -1.18 0.00 0.00 61.69 61.80 3h49 s THR 40 Cb 0.00 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.11 3h49 s THR 40 CO 0.00 0.14 0.16 0.61 -0.54 0.00 0.00 174.62 174.99 3h49 n GLY 41 N 0.69 2.96 0.00 3.99 0.00 0.88 -4.78 105.19 108.93 3h49 n GLY 41 Ca 0.03 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.52 3h49 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h49 n GLY 42 N -0.21 2.52 0.30 -0.02 0.00 -1.26 -1.56 105.19 104.95 3h49 n GLY 42 Ca 0.01 -1.55 0.05 0.00 0.00 0.00 0.00 46.02 44.53 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 0.55 -0.00 1.61 3.32 -1.87 -1.68 116.42 118.34 3h49 h ASP 43 Ca 0.00 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 3h49 h ASP 43 Cb 0.00 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 3h49 h ASP 43 CO 0.00 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 177.80 3h49 h ALA 44 N 1.50 0.00 -0.58 3.45 0.00 -1.77 -0.66 119.26 121.20 3h49 h ALA 44 Ca 0.42 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 3h49 h ALA 44 Cb 0.51 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3h49 h ALA 44 CO -0.31 -0.47 0.19 0.82 0.00 0.00 0.00 179.25 179.48 3h49 h ILE 45 N -0.05 1.24 -0.38 0.00 1.08 -1.73 -1.15 117.51 116.52 3h49 h ILE 45 Ca 0.00 -0.80 -0.02 0.00 -0.39 0.00 0.00 64.86 63.66 3h49 h ILE 45 Cb 0.06 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 3h49 h ILE 45 CO -0.00 0.30 0.17 0.78 -0.69 0.00 0.00 178.15 178.71 3h49 h ASN 46 N 0.82 0.50 0.06 1.72 2.35 -1.16 -0.22 115.58 119.64 3h49 h ASN 46 Ca 0.19 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3h49 h ASN 46 Cb 0.27 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3h49 h ASN 46 CO -0.01 0.49 -0.03 -0.33 -1.65 0.00 0.00 177.43 175.91 3h49 h GLU 47 N 0.47 -0.08 -0.92 0.81 5.08 -0.99 -0.52 114.58 118.43 3h49 h GLU 47 Ca 0.13 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.61 3h49 h GLU 47 Cb 0.13 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.33 3h49 h GLU 47 CO -0.01 0.05 0.59 0.00 -1.00 0.00 0.00 179.01 178.63 3h49 h ALA 48 N 0.74 1.67 0.26 3.43 0.00 -1.06 0.13 119.26 124.44 3h49 h ALA 48 Ca -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3h49 h ALA 48 Cb 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3h49 h ALA 48 CO 0.01 0.11 -0.13 1.15 0.00 0.00 0.00 179.25 180.40 3h49 h THR 49 N 0.85 0.74 -0.54 0.00 2.02 -0.67 -2.38 112.91 112.93 3h49 h THR 49 Ca 0.44 -0.72 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 3h49 h THR 49 Cb 0.53 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 3h49 h THR 49 CO -0.21 0.14 0.22 0.40 0.37 0.00 0.00 175.52 176.45 3h49 h ILE 50 N -0.77 1.22 -0.80 3.11 1.08 -0.67 -1.70 117.51 118.98 3h49 h ILE 50 Ca -0.04 -0.66 -0.01 0.00 -0.39 0.00 0.00 64.86 63.77 3h49 h ILE 50 Cb 0.50 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 34.86 3h49 h ILE 50 CO 0.06 0.25 0.46 0.40 -0.69 0.00 0.00 178.15 178.63 3h49 h ILE 51 N 0.73 1.23 -0.33 -0.67 2.04 -0.85 -0.61 117.51 119.06 3h49 h ILE 51 Ca 0.18 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 3h49 h ILE 51 Cb 0.18 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 3h49 h ILE 51 CO -0.02 0.25 0.20 0.28 0.00 0.00 0.00 178.15 178.87 3h49 h SER 52 N 1.10 0.39 0.12 1.72 0.02 -1.17 -2.10 113.55 113.64 3h49 h SER 52 Ca 0.28 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 3h49 h SER 52 Cb -0.00 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 3h49 h SER 52 CO -0.05 0.32 -0.13 0.03 -1.14 0.00 0.00 176.83 175.86 3h49 h ARG 53 N 0.43 0.03 0.00 3.45 3.08 -0.82 -1.04 114.38 119.51 3h49 h ARG 53 Ca 0.12 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3h49 h ARG 53 Cb -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3h49 h ARG 53 CO -0.02 0.16 0.00 1.28 -1.07 0.00 0.00 179.97 180.31 3h49 n LEU 54 N -4.37 0.00 0.00 3.04 4.77 -0.28 -4.28 117.00 115.88 3h49 n LEU 54 Ca -0.02 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3h49 n LEU 54 Cb 0.21 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3h49 n LEU 54 CO 0.36 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3h49 n GLY 55 N 0.80 1.23 3.02 -0.72 0.00 -0.40 -4.96 105.19 104.16 3h49 n GLY 55 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 2.20 0.19 1.61 3.76 -0.86 -5.03 115.29 115.16 3h49 s HIS 56 Ca 0.00 -1.26 -0.33 0.00 -0.15 0.00 0.00 55.06 53.32 3h49 s HIS 56 Cb 0.00 -1.60 -0.13 0.00 1.11 0.00 0.00 32.58 31.96 3h49 s HIS 56 CO 0.00 -0.68 1.66 -2.13 -0.85 0.00 0.00 174.74 172.74 3h49 n ARG 57 N 4.76 2.50 -4.34 1.40 0.63 -1.25 -3.47 116.66 116.89 3h49 n ARG 57 Ca -0.17 0.90 -0.19 0.00 -0.92 0.00 0.00 57.85 57.47 3h49 n ARG 57 Cb 0.50 -2.72 -0.13 0.00 0.45 0.00 0.00 32.46 30.56 3h49 n ARG 57 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3h49 s THR 58 N 1.07 1.01 -0.07 5.15 2.01 -1.26 -1.09 115.64 122.45 3h49 s THR 58 Ca 0.77 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.90 3h49 s THR 58 Cb -0.58 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.00 3h49 s THR 58 CO 0.35 0.02 -0.16 0.00 -0.69 0.00 0.00 174.62 174.13 3h49 s ALA 59 N -0.78 2.54 0.08 7.40 0.00 0.21 -0.66 121.76 130.55 3h49 s ALA 59 Ca 0.01 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3h49 s ALA 59 Cb -0.07 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.10 3h49 s ALA 59 CO 0.01 0.46 0.07 -0.11 0.00 0.00 0.00 175.76 176.19 3h49 n LEU 60 N 2.72 0.00 0.00 0.00 7.94 -0.37 -0.79 117.00 126.50 3h49 n LEU 60 Ca -0.17 -0.37 0.00 0.00 -1.11 0.00 0.00 56.01 54.36 3h49 n LEU 60 Cb 0.52 -0.02 0.00 0.00 0.53 0.00 0.00 43.42 44.45 3h49 n LEU 60 CO 0.27 -0.38 0.00 -0.24 -1.11 0.00 0.00 177.39 175.92 3h49 n SER 62 N -2.32 0.00 -3.73 1.96 2.88 -1.26 -3.73 113.62 107.42 3h49 n SER 62 Ca 0.01 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 3h49 n SER 62 Cb 0.08 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.39 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 -1.62 0.02 0.16 -1.46 3.52 -1.26 -4.30 118.95 114.01 3h49 s ARG 63 Ca 0.00 0.35 0.01 0.00 -0.13 0.00 0.00 55.73 55.96 3h49 s ARG 63 Cb 0.00 -0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.09 3h49 s ARG 63 CO 0.00 -0.21 0.02 0.96 -0.81 0.00 0.00 175.30 175.26 3h49 s ILE 64 N 1.46 0.53 0.65 4.11 -4.36 -1.22 -4.65 121.20 117.72 3h49 s ILE 64 Ca -0.05 -1.96 -0.07 0.00 -0.26 0.00 0.00 60.65 58.31 3h49 s ILE 64 Cb -0.12 -2.10 0.03 0.00 1.25 0.00 0.00 42.46 41.52 3h49 s ILE 64 CO -0.05 -0.47 0.97 -0.83 0.24 0.00 0.00 174.94 174.80 3h49 s GLY 65 N -3.14 1.65 -1.27 6.27 0.00 -1.26 -0.39 107.32 109.18 3h49 s GLY 65 Ca 0.24 -0.78 -0.06 0.00 0.00 0.00 0.00 44.72 44.11 3h49 s GLY 65 CO 0.03 -0.44 2.09 1.17 0.00 0.00 0.00 173.10 175.96 3h49 n LYS 66 N -2.77 4.29 -4.20 2.90 3.00 -1.05 -4.33 118.16 115.99 3h49 n LYS 66 Ca 0.06 -3.65 -0.21 0.00 -0.00 0.00 0.00 58.31 54.52 3h49 n LYS 66 Cb 0.59 -2.72 -0.07 0.00 0.00 0.00 0.00 35.03 32.83 3h49 n LYS 66 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3h49 n ASP 67 N 2.36 -0.04 -0.30 3.14 5.68 -1.26 -4.93 116.55 121.19 3h49 n ASP 67 Ca 0.50 -3.10 -0.00 0.00 -0.50 0.00 0.00 54.79 51.68 3h49 n ASP 67 Cb 0.30 1.40 0.18 0.00 -1.14 0.00 0.00 41.12 41.86 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 1.90 1.38 -0.57 2.12 0.00 -1.99 -0.80 119.26 121.30 3h49 h ALA 68 Ca -0.25 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3h49 h ALA 68 Cb 1.16 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3h49 h ALA 68 CO 0.38 0.57 0.20 0.00 0.00 0.00 0.00 179.25 180.41 3h49 h ALA 69 N 1.45 0.74 -0.86 0.00 0.00 -1.95 -0.41 119.26 118.23 3h49 h ALA 69 Ca 0.33 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3h49 h ALA 69 Cb -0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 3h49 h ALA 69 CO -0.08 0.38 0.43 0.78 0.00 0.00 0.00 179.25 180.77 3h49 h GLY 70 N 0.79 1.32 1.50 0.00 0.00 -1.56 -1.90 103.07 103.22 3h49 h GLY 70 Ca 0.19 -0.64 -0.10 0.00 0.00 0.00 0.00 47.33 46.78 3h49 h GLY 70 CO -0.01 0.61 -0.21 -1.61 0.00 0.00 0.00 176.54 175.32 3h49 h GLN 71 N 1.22 0.58 -0.74 4.80 5.75 -0.79 -0.91 115.11 125.02 3h49 h GLN 71 Ca 0.30 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 3h49 h GLN 71 Cb 0.09 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 3h49 h GLN 71 CO -0.04 0.75 0.41 0.35 -2.65 0.00 0.00 178.83 177.66 3h49 h PHE 72 N 0.52 1.01 -0.37 3.99 3.57 -0.55 0.20 116.94 125.31 3h49 h PHE 72 Ca 0.08 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 3h49 h PHE 72 Cb 0.65 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3h49 h PHE 72 CO 0.03 0.70 0.00 0.82 -2.23 0.00 0.00 178.31 177.63 3h49 h ILE 73 N 1.02 1.26 -0.60 1.41 2.04 -0.90 -1.40 117.51 120.34 3h49 h ILE 73 Ca 0.26 -0.98 -0.06 0.00 1.00 0.00 0.00 64.86 65.08 3h49 h ILE 73 Cb 0.02 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 3h49 h ILE 73 CO -0.04 0.33 0.14 -0.07 0.00 0.00 0.00 178.15 178.50 3h49 h LEU 74 N 0.47 0.88 -0.65 1.44 3.38 -0.68 -1.22 115.31 118.93 3h49 h LEU 74 Ca 0.11 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 3h49 h LEU 74 Cb 0.46 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3h49 h LEU 74 CO 0.02 0.87 -0.02 0.44 0.09 0.00 0.00 178.44 179.83 3h49 h ASP 75 N 0.90 1.01 -0.14 -0.43 3.32 -0.43 0.29 116.42 120.94 3h49 h ASP 75 Ca 0.19 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.96 3h49 h ASP 75 Cb 0.34 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3h49 h ASP 75 CO 0.00 1.07 0.07 -0.74 -1.72 0.00 0.00 179.24 177.93 3h49 h HIS 76 N 0.94 0.14 -0.58 4.55 2.76 -0.81 -1.06 115.15 121.08 3h49 h HIS 76 Ca 0.16 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.35 3h49 h HIS 76 Cb 0.57 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.45 3h49 h HIS 76 CO 0.04 0.08 0.37 0.00 -1.30 0.00 0.00 177.93 177.12 3h49 h ARG 78 N 0.75 0.92 -0.14 0.00 2.43 -0.61 0.12 114.38 117.84 3h49 h ARG 78 Ca 0.22 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.25 3h49 h ARG 78 Cb -0.04 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 3h49 h ARG 78 CO -0.07 0.61 -0.31 0.87 -1.51 0.00 0.00 179.97 179.56 3h49 h LYS 79 N 0.95 0.27 -0.07 0.20 1.57 -0.68 -2.79 116.57 116.02 3h49 h LYS 79 Ca 0.30 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3h49 h LYS 79 Cb -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3h49 h LYS 79 CO -0.11 0.56 0.00 0.39 -0.57 0.00 0.00 179.45 179.72 3h49 n GLU 80 N -4.10 1.77 -2.08 3.15 -0.58 -0.48 -4.93 120.64 113.38 3h49 n GLU 80 Ca -0.01 -1.13 -0.14 0.00 -0.42 0.00 0.00 57.16 55.46 3h49 n GLU 80 Cb 0.41 -1.46 -0.02 0.00 -0.57 0.00 0.00 31.44 29.81 3h49 n GLU 80 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3h49 n ASN 81 N 0.37 -4.28 -4.69 1.62 5.03 -0.25 -4.81 115.26 108.24 3h49 n ASN 81 Ca 0.18 0.06 -0.41 0.00 0.87 0.00 0.00 54.58 55.28 3h49 n ASN 81 Cb 0.38 -3.36 -0.04 0.00 -1.02 0.00 0.00 39.78 35.74 3h49 n ASN 81 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3h49 s ILE 82 N -2.64 4.92 0.10 2.41 1.01 0.24 -4.65 121.20 122.59 3h49 s ILE 82 Ca 0.00 1.68 -0.31 0.00 0.00 0.00 0.00 60.65 62.02 3h49 s ILE 82 Cb 0.00 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.23 3h49 s ILE 82 CO 0.00 0.12 1.59 -0.62 0.00 0.00 0.00 174.94 176.03 3h49 s ASP 83 N 1.02 6.63 -0.11 3.58 -1.08 0.16 -4.48 116.67 122.39 3h49 s ASP 83 Ca 0.41 2.49 0.16 0.00 -0.52 0.00 0.00 52.55 55.09 3h49 s ASP 83 Cb -0.18 -2.57 0.24 0.00 -1.46 0.00 0.00 42.92 38.95 3h49 s ASP 83 CO 0.17 -0.84 1.12 2.30 0.52 0.00 0.00 175.17 178.45 3h49 n ILE 84 N 4.42 1.63 0.11 4.11 -5.35 -1.26 -1.23 119.36 121.79 3h49 n ILE 84 Ca 0.15 -1.95 0.05 0.00 -0.27 0.00 0.00 62.75 60.74 3h49 n ILE 84 Cb 0.40 -0.12 0.51 0.00 -1.74 0.00 0.00 39.64 38.69 3h49 n ILE 84 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3h49 h GLN 85 N 0.00 0.30 0.00 6.28 4.15 -1.90 -2.35 115.11 121.59 3h49 h GLN 85 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3h49 h GLN 85 Cb 1.03 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.66 3h49 h GLN 85 CO 0.00 0.21 -0.75 0.77 -1.93 0.00 0.00 178.83 177.14 3h49 h SER 86 N 0.31 0.00 -3.06 -0.69 0.02 -1.86 -3.44 113.55 104.84 3h49 h SER 86 Ca 0.08 -0.07 -0.58 0.00 -0.84 0.00 0.00 61.79 60.38 3h49 h SER 86 Cb -0.01 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.43 3h49 h SER 86 CO -0.02 0.03 0.79 -0.22 -1.14 0.00 0.00 176.83 176.28 3h49 s LEU 87 N -5.09 3.74 0.30 5.07 0.20 -0.89 -4.70 118.68 117.30 3h49 s LEU 87 Ca 0.03 -0.22 0.06 0.00 0.69 0.00 0.00 54.13 54.69 3h49 s LEU 87 Cb 0.10 -2.91 -0.02 0.00 -0.43 0.00 0.00 46.19 42.93 3h49 s LEU 87 CO 0.75 -1.42 0.38 -0.75 -0.29 0.00 0.00 176.35 175.02 3h49 s LYS 88 N 4.59 3.15 -0.12 1.98 2.20 -1.26 -5.00 119.74 125.28 3h49 s LYS 88 Ca 0.36 -0.97 -0.04 0.00 -0.36 0.00 0.00 55.97 54.95 3h49 s LYS 88 Cb -0.10 -2.77 -0.04 0.00 -1.51 0.00 0.00 37.83 33.41 3h49 s LYS 88 CO 0.21 0.22 0.04 -0.65 -0.36 0.00 0.00 175.35 174.81 3h49 s GLN 89 N -4.05 3.33 -0.26 4.03 -0.21 -1.26 -3.40 119.66 117.84 3h49 s GLN 89 Ca 0.40 -0.34 -0.04 0.00 0.02 0.00 0.00 55.36 55.40 3h49 s GLN 89 Cb -0.09 -2.98 0.01 0.00 1.00 0.00 0.00 33.01 30.96 3h49 s GLN 89 CO 0.29 0.61 -0.00 0.34 -2.12 0.00 0.00 175.29 174.40 3h49 s ASP 90 N -0.59 4.61 0.36 5.90 -1.08 0.48 -4.77 116.67 121.58 3h49 s ASP 90 Ca 0.11 -0.69 0.27 0.00 -0.52 0.00 0.00 52.55 51.72 3h49 s ASP 90 Cb -0.12 -1.76 1.08 0.00 -1.46 0.00 0.00 42.92 40.66 3h49 s ASP 90 CO 0.02 -0.12 1.81 1.62 0.52 0.00 0.00 175.17 179.02 3h49 h VAL 91 N 5.93 0.00 -0.06 1.11 3.04 -1.92 -2.76 116.25 121.59 3h49 h VAL 91 Ca -0.34 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 3h49 h VAL 91 Cb 1.13 1.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.62 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 -2.55 1.14 -4.21 3.17 3.41 -1.26 -4.83 113.62 108.49 3h49 n SER 92 Ca 0.02 -1.49 -0.13 0.00 -0.26 0.00 0.00 58.87 57.01 3h49 n SER 92 Cb 0.28 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.93 0.96 -0.18 -1.33 -4.36 -1.13 -5.14 121.20 108.10 3h49 s ILE 93 Ca 0.36 -1.92 -0.09 0.00 -0.26 0.00 0.00 60.65 58.74 3h49 s ILE 93 Cb 0.19 -1.67 -0.05 0.00 1.25 0.00 0.00 42.46 42.18 3h49 s ILE 93 CO 0.30 -0.74 0.13 -1.81 0.24 0.00 0.00 174.94 173.06 3h49 s ASP 94 N -2.95 6.25 0.34 4.36 1.01 -1.26 -4.30 116.67 120.11 3h49 s ASP 94 Ca 0.12 0.29 -0.29 0.00 0.71 0.00 0.00 52.55 53.38 3h49 s ASP 94 Cb 0.02 -2.08 -0.11 0.00 1.01 0.00 0.00 42.92 41.75 3h49 s ASP 94 CO -0.01 0.23 1.55 -0.89 0.21 0.00 0.00 175.17 176.26 3h49 s THR 95 N 0.03 2.02 0.11 -1.27 2.01 -1.26 -1.90 115.64 115.38 3h49 s THR 95 Ca 0.10 0.01 -0.31 0.00 0.31 0.00 0.00 61.69 61.80 3h49 s THR 95 Cb -0.11 -3.01 -0.10 0.00 0.01 0.00 0.00 72.50 69.29 3h49 s THR 95 CO -0.01 0.00 1.79 -0.44 -0.69 0.00 0.00 174.62 175.28 3h49 s SER 96 N 0.19 6.46 -0.25 3.53 0.01 -1.26 -4.70 113.70 117.68 3h49 s SER 96 Ca 0.58 2.70 0.00 0.00 1.31 0.00 0.00 55.95 60.55 3h49 s SER 96 Cb -0.48 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.23 3h49 s SER 96 CO 0.56 -0.98 -0.09 -0.63 0.41 0.00 0.00 173.24 172.51 3h49 s ILE 97 N 2.72 2.51 -0.27 1.44 1.01 -1.26 -1.71 121.20 125.64 3h49 s ILE 97 Ca 0.79 -1.27 -0.14 0.00 0.00 0.00 0.00 60.65 60.03 3h49 s ILE 97 Cb -0.45 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 3h49 s ILE 97 CO 0.36 0.13 0.31 0.20 0.00 0.00 0.00 174.94 175.93 3h49 s ASN 98 N 1.23 6.18 -0.28 3.58 -0.87 0.22 -4.41 114.94 120.60 3h49 s ASN 98 Ca -0.03 0.20 -0.14 0.00 -1.57 0.00 0.00 52.86 51.32 3h49 s ASN 98 Cb -0.18 -2.18 -0.04 0.00 -0.02 0.00 0.00 41.25 38.84 3h49 s ASN 98 CO -0.06 -0.13 0.32 -0.69 -2.57 0.00 0.00 177.10 173.98 3h49 s VAL 99 N 1.90 5.21 -0.13 1.60 1.01 -0.56 -1.14 120.40 128.29 3h49 s VAL 99 Ca 0.12 0.39 -0.13 0.00 0.00 0.00 0.00 61.98 62.37 3h49 s VAL 99 Cb -0.16 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 3h49 s VAL 99 CO 0.10 0.15 0.29 -0.83 0.00 0.00 0.00 175.10 174.81 3h49 s GLY 100 N 1.68 2.24 -0.43 4.51 0.00 -0.58 -1.13 107.32 113.62 3h49 s GLY 100 Ca 0.12 -0.44 -0.10 0.00 0.00 0.00 0.00 44.72 44.31 3h49 s GLY 100 CO 0.10 0.30 0.28 1.08 0.00 0.00 0.00 173.10 174.87 3h49 s LEU 101 N 0.08 5.27 -0.30 0.66 1.43 0.20 -0.08 118.68 125.94 3h49 s LEU 101 Ca 0.17 -1.56 -0.11 0.00 -1.03 0.00 0.00 54.13 51.60 3h49 s LEU 101 Cb -0.13 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 3h49 s LEU 101 CO 0.05 -0.57 0.18 -0.69 0.23 0.00 0.00 176.35 175.56 3h49 s VAL 102 N 1.43 5.05 0.76 -1.59 1.01 -0.33 -1.48 120.40 125.25 3h49 s VAL 102 Ca 0.04 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 3h49 s VAL 102 Cb -0.24 -3.49 0.08 0.00 0.00 0.00 0.00 36.38 32.74 3h49 s VAL 102 CO 0.02 0.15 1.10 0.42 0.00 0.00 0.00 175.10 176.78 3h49 s THR 103 N 1.70 2.16 0.51 3.92 -4.23 -1.08 -0.64 115.64 117.98 3h49 s THR 103 Ca 0.06 -0.18 0.21 0.00 -1.18 0.00 0.00 61.69 60.60 3h49 s THR 103 Cb -0.17 -2.98 0.35 0.00 1.34 0.00 0.00 72.50 71.05 3h49 s THR 103 CO 0.09 0.00 2.03 -0.33 -0.54 0.00 0.00 174.62 175.87 3h49 h GLU 104 N -0.84 0.09 0.00 3.99 3.07 -1.91 -0.49 114.58 118.48 3h49 h GLU 104 Ca -0.44 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3h49 h GLU 104 Cb 1.31 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 3h49 h GLU 104 CO 0.59 0.06 0.00 -0.40 -1.40 0.00 0.00 179.01 177.85 3h49 n ASP 105 N -4.44 0.00 0.00 1.42 5.68 -1.26 -4.88 116.55 113.08 3h49 n ASP 105 Ca 0.07 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 3h49 n ASP 105 Cb 0.44 -0.29 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 3h49 n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h49 n GLY 106 N 0.66 2.42 1.72 6.12 0.00 -0.19 -5.05 105.19 110.87 3h49 n GLY 106 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 3h49 n GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h49 n GLU 107 N -2.00 -2.36 -3.63 1.61 -0.58 -1.26 -4.79 120.64 107.63 3h49 n GLU 107 Ca 0.00 -0.85 -0.05 0.00 -0.42 0.00 0.00 57.16 55.85 3h49 n GLU 107 Cb 0.00 -0.84 -0.06 0.00 -0.57 0.00 0.00 31.44 29.97 3h49 n GLU 107 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 3h49 s ARG 108 N -4.20 0.22 0.39 3.49 1.70 -1.26 -2.62 118.95 116.66 3h49 s ARG 108 Ca 0.35 0.16 0.08 0.00 -0.47 0.00 0.00 55.73 55.85 3h49 s ARG 108 Cb -0.04 0.10 -0.06 0.00 -0.57 0.00 0.00 34.95 34.38 3h49 s ARG 108 CO 0.27 -0.05 0.06 0.95 -1.08 0.00 0.00 175.30 175.45 3h49 s THR 109 N -0.40 2.24 0.05 4.99 -4.23 -0.55 -4.93 115.64 112.82 3h49 s THR 109 Ca 0.06 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 58.70 3h49 s THR 109 Cb -0.03 -2.93 -0.02 0.00 1.34 0.00 0.00 72.50 70.86 3h49 s THR 109 CO -0.09 -0.06 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.43 3h49 s PHE 110 N -2.63 1.21 -0.19 3.99 0.08 -1.26 -0.63 117.98 118.54 3h49 s PHE 110 Ca 0.37 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 57.00 3h49 s PHE 110 Cb 0.05 -0.70 -0.01 0.00 -0.57 0.00 0.00 43.02 41.79 3h49 s PHE 110 CO 0.20 0.04 -0.08 0.08 -0.10 0.00 0.00 175.22 175.35 3h49 s VAL 111 N -1.00 3.14 0.26 -0.44 1.01 -0.28 -4.99 120.40 118.11 3h49 s VAL 111 Ca 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3h49 s VAL 111 Cb -0.09 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 3h49 s VAL 111 CO 0.02 0.46 0.03 0.42 0.00 0.00 0.00 175.10 176.03 3h49 s THR 112 N 1.15 1.02 -0.48 3.92 -4.23 -1.26 -1.49 115.64 114.27 3h49 s THR 112 Ca 0.02 -2.02 -0.16 0.00 -1.18 0.00 0.00 61.69 58.34 3h49 s THR 112 Cb -0.14 -2.53 0.07 0.00 1.34 0.00 0.00 72.50 71.24 3h49 s THR 112 CO -0.02 -0.18 0.44 0.21 -0.54 0.00 0.00 174.62 174.53 3h49 s ASN 113 N -3.36 6.16 0.61 3.99 3.84 -1.26 -4.94 114.94 119.98 3h49 s ASN 113 Ca 0.32 -1.28 0.41 0.00 0.21 0.00 0.00 52.86 52.52 3h49 s ASN 113 Cb 0.07 -2.20 2.17 0.00 -0.55 0.00 0.00 41.25 40.74 3h49 s ASN 113 CO 0.12 -0.70 2.24 -0.09 -2.79 0.00 0.00 177.10 175.88 3h49 h ARG 114 N 8.80 0.00 -0.48 0.43 9.65 -1.99 -0.04 114.38 130.75 3h49 h ARG 114 Ca -0.28 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.60 3h49 h ARG 114 Cb 1.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.69 3h49 h ARG 114 CO 0.90 0.00 0.00 0.09 2.80 0.00 0.00 179.97 183.76 3h49 n ASN 115 N -2.97 3.46 -4.71 -3.80 5.03 -1.26 -4.80 115.26 106.21 3h49 n ASN 115 Ca -0.02 -2.11 -0.30 0.00 0.87 0.00 0.00 54.58 53.02 3h49 n ASN 115 Cb 0.09 -0.36 0.14 0.00 -1.02 0.00 0.00 39.78 38.63 3h49 n ASN 115 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3h49 s GLY 116 N -1.06 1.61 0.37 7.41 0.00 -0.03 -4.61 107.32 111.02 3h49 s GLY 116 Ca 0.34 -0.07 0.14 0.00 0.00 0.00 0.00 44.72 45.14 3h49 s GLY 116 CO 0.21 0.42 1.79 1.48 0.00 0.00 0.00 173.10 177.00 3h49 h SER 117 N -1.58 0.54 -0.90 1.64 4.64 -1.66 -0.86 113.55 115.37 3h49 h SER 117 Ca -0.50 0.08 0.05 0.00 -0.47 0.00 0.00 61.79 60.95 3h49 h SER 117 Cb 1.29 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.31 3h49 h SER 117 CO 0.55 0.15 0.59 0.25 -0.87 0.00 0.00 176.83 177.50 3h49 h LEU 118 N 0.50 0.95 -0.07 5.97 6.46 -1.88 -1.91 115.31 125.34 3h49 h LEU 118 Ca 0.57 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.32 3h49 h LEU 118 Cb 1.26 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 3h49 h LEU 118 CO -0.31 0.64 0.00 -0.50 -0.62 0.00 0.00 178.44 177.65 3h49 h TRP 119 N 1.10 0.00 0.00 1.25 4.06 -1.47 -3.29 115.95 117.60 3h49 h TRP 119 Ca 0.37 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.32 3h49 h TRP 119 Cb 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 3h49 h TRP 119 CO -0.00 0.00 -0.82 1.63 -3.56 0.00 0.00 178.44 175.69 3h49 n LYS 120 N -3.09 0.36 -1.66 0.49 4.76 -0.78 -4.54 118.16 113.69 3h49 n LYS 120 Ca 0.04 0.07 -0.47 0.00 -2.87 0.00 0.00 58.31 55.08 3h49 n LYS 120 Cb 0.52 -1.69 -0.04 0.00 -1.84 0.00 0.00 35.03 31.98 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 -2.18 2.99 0.00 -0.35 7.94 -0.80 -4.94 117.00 119.65 3h49 n LEU 121 Ca 0.02 1.07 -0.09 0.00 -1.11 0.00 0.00 56.01 55.90 3h49 n LEU 121 Cb 0.46 -1.39 -0.02 0.00 0.53 0.00 0.00 43.42 43.00 3h49 n LEU 121 CO 0.38 -0.34 0.11 -0.46 -1.11 0.00 0.00 177.39 175.98 3h49 n ASN 122 N 3.72 -0.88 0.25 1.96 0.23 -1.26 -4.30 115.26 114.98 3h49 n ASN 122 Ca 0.18 -2.22 0.16 0.00 -0.53 0.00 0.00 54.58 52.17 3h49 n ASN 122 Cb 0.28 1.65 0.88 0.00 -2.08 0.00 0.00 39.78 40.51 3h49 n ASN 122 CO 0.00 0.00 0.00 -0.29 -0.93 0.00 0.00 177.26 176.04 3h49 h ILE 123 N 1.66 0.47 0.00 1.53 2.10 -1.92 0.12 117.51 121.46 3h49 h ILE 123 Ca -0.18 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.76 3h49 h ILE 123 Cb 0.77 0.91 -0.00 0.00 -1.09 0.00 0.00 36.82 37.41 3h49 h ILE 123 CO 0.24 0.00 -0.02 0.44 -1.08 0.00 0.00 178.15 177.73 3h49 h ASP 124 N 0.00 0.00 -0.03 2.19 3.32 -1.96 -1.23 116.42 118.71 3h49 h ASP 124 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3h49 h ASP 124 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3h49 h ASP 124 CO -0.00 0.02 0.00 0.47 -1.72 0.00 0.00 179.24 178.01 3h49 n ASP 125 N -3.68 0.77 -4.58 6.45 8.00 0.03 -4.76 116.55 118.78 3h49 n ASP 125 Ca -0.03 -1.34 -0.39 0.00 0.71 0.00 0.00 54.79 53.74 3h49 n ASP 125 Cb 0.11 -0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 41.10 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 -1.97 5.23 -1.01 2.53 1.01 -0.47 -4.48 120.40 121.25 3h49 s VAL 126 Ca 0.39 0.22 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 3h49 s VAL 126 Cb 0.20 -3.67 0.15 0.00 0.00 0.00 0.00 36.38 33.05 3h49 s VAL 126 CO 0.32 0.11 1.19 -0.62 0.00 0.00 0.00 175.10 176.10 3h49 s ASP 127 N 1.71 6.78 0.54 3.32 -1.08 -1.26 -4.86 116.67 121.82 3h49 s ASP 127 Ca 0.11 -2.39 0.20 0.00 -0.52 0.00 0.00 52.55 49.94 3h49 s ASP 127 Cb -0.16 -2.38 1.40 0.00 -1.46 0.00 0.00 42.92 40.32 3h49 s ASP 127 CO 0.11 -0.92 2.16 -0.26 0.52 0.00 0.00 175.17 176.77 3h49 h PHE 128 N 8.24 0.00 0.00 -5.34 0.04 -1.94 -2.21 116.94 115.73 3h49 h PHE 128 Ca 0.20 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.97 3h49 h PHE 128 Cb 0.98 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.13 3h49 h PHE 128 CO 1.13 0.00 -0.02 0.00 -0.60 0.00 0.00 178.31 178.83 3h49 h ALA 129 N 1.97 1.12 -0.01 2.45 0.00 -2.03 -2.14 119.26 120.63 3h49 h ALA 129 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h49 h ALA 129 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3h49 h ALA 129 CO -0.00 0.02 -0.22 0.54 0.00 0.00 0.00 179.25 179.59 3h49 n ARG 130 N -3.28 1.34 0.02 0.00 1.74 -0.83 -4.32 116.66 111.33 3h49 n ARG 130 Ca -0.02 -0.94 0.07 0.00 -0.77 0.00 0.00 57.85 56.19 3h49 n ARG 130 Cb 0.13 -1.48 0.48 0.00 -1.02 0.00 0.00 32.46 30.57 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 2.30 0.40 0.00 -1.55 -1.00 -1.50 -1.01 116.94 114.59 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 0.64 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 40.07 3h49 h PHE 131 CO 0.00 0.24 0.00 -1.13 -1.61 0.00 0.00 178.31 175.81 3h49 n SER 132 N -4.48 0.45 0.07 2.17 3.41 -1.26 -2.70 113.62 111.28 3h49 n SER 132 Ca 0.04 0.62 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 3h49 n SER 132 Cb 0.16 -0.71 0.30 0.00 -0.26 0.00 0.00 64.21 63.70 3h49 n SER 132 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h49 n GLN 133 N -2.01 0.24 -4.57 4.33 1.13 -0.38 -4.93 117.38 111.19 3h49 n GLN 133 Ca 0.02 0.13 -0.26 0.00 -1.94 0.00 0.00 57.00 54.95 3h49 n GLN 133 Cb 0.19 -1.71 -0.11 0.00 0.11 0.00 0.00 30.24 28.72 3h49 n GLN 133 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h49 s ALA 134 N -3.12 2.98 -0.09 -1.58 0.00 -1.10 -4.44 121.76 114.41 3h49 s ALA 134 Ca 0.09 -2.20 0.18 0.00 0.00 0.00 0.00 51.96 50.03 3h49 s ALA 134 Cb 0.14 0.16 -0.27 0.00 0.00 0.00 0.00 23.12 23.14 3h49 s ALA 134 CO 0.65 -0.08 0.27 1.63 0.00 0.00 0.00 175.76 178.24 3h49 n LYS 135 N -0.87 0.77 -3.86 0.00 5.02 -0.43 -4.99 118.16 113.81 3h49 n LYS 135 Ca -0.05 -0.11 -0.12 0.00 -2.02 0.00 0.00 58.31 56.02 3h49 n LYS 135 Cb 0.66 -1.47 -0.13 0.00 -0.02 0.00 0.00 35.03 34.07 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 -4.79 1.79 -0.11 -0.35 0.20 -0.58 -1.50 118.68 113.33 3h49 s LEU 136 Ca -0.08 0.06 0.01 0.00 0.69 0.00 0.00 54.13 54.81 3h49 s LEU 136 Cb 0.10 0.23 -0.02 0.00 -0.43 0.00 0.00 46.19 46.07 3h49 s LEU 136 CO 0.79 -0.06 -0.13 -0.22 -0.29 0.00 0.00 176.35 176.44 3h49 s LEU 137 N -0.15 2.74 -0.23 -0.68 2.96 0.15 -1.54 118.68 121.94 3h49 s LEU 137 Ca -0.02 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.62 3h49 s LEU 137 Cb -0.02 -1.61 0.04 0.00 0.50 0.00 0.00 46.19 45.11 3h49 s LEU 137 CO 0.00 0.20 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.54 3h49 s SER 138 N 0.11 3.88 -0.66 3.68 0.15 -0.26 -0.22 113.70 120.38 3h49 s SER 138 Ca -0.06 -1.07 -0.23 0.00 0.70 0.00 0.00 55.95 55.28 3h49 s SER 138 Cb -0.15 -1.52 0.06 0.00 -1.71 0.00 0.00 66.02 62.70 3h49 s SER 138 CO 0.05 -0.11 1.01 -0.22 1.20 0.00 0.00 173.24 175.17 3h49 s LEU 139 N 1.18 4.16 -1.10 3.45 2.96 0.26 -1.21 118.68 128.38 3h49 s LEU 139 Ca -0.03 -0.84 -0.21 0.00 -0.22 0.00 0.00 54.13 52.83 3h49 s LEU 139 Cb -0.17 -2.48 0.06 0.00 0.50 0.00 0.00 46.19 44.10 3h49 s LEU 139 CO -0.08 -1.49 1.52 0.00 -1.32 0.00 0.00 176.35 174.97 3h49 s ALA 140 N 4.33 2.96 0.00 5.97 0.00 0.16 -2.72 121.76 132.46 3h49 s ALA 140 Ca 0.25 -2.51 0.00 0.00 0.00 0.00 0.00 51.96 49.70 3h49 s ALA 140 Cb -0.15 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.44 3h49 s ALA 140 CO 0.12 -3.47 0.00 0.43 0.00 0.00 0.00 175.76 172.84 3h49 n SER 141 N 8.53 -1.38 -4.74 0.00 7.64 -1.25 -4.42 113.62 118.00 3h49 n SER 141 Ca 0.37 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.84 3h49 n SER 141 Cb 0.49 -0.69 -0.02 0.00 -1.01 0.00 0.00 64.21 62.98 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 2.35 0.00 0.44 1.01 -0.75 -1.31 121.20 122.94 3h49 s ILE 142 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.94 3h49 s ILE 142 Cb 0.00 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.29 3h49 s ILE 142 CO 0.00 0.04 0.00 0.49 0.00 0.00 0.00 174.94 175.47 3h49 n PHE 143 N 2.52 0.00 -0.06 3.97 3.72 -1.26 -2.98 117.46 123.37 3h49 n PHE 143 Ca 0.09 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.39 3h49 n PHE 143 Cb 0.38 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.89 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 0.28 -3.41 4.37 -1.24 -1.54 -3.34 115.58 110.69 3h49 h ASN 144 Ca 0.00 -0.05 -0.71 0.00 0.71 0.00 0.00 56.30 56.25 3h49 h ASN 144 Cb 0.00 -0.07 -0.32 0.00 0.73 0.00 0.00 38.32 38.66 3h49 h ASN 144 CO 0.00 0.25 -0.48 -0.44 -1.29 0.00 0.00 177.43 175.47 3h49 s SER 145 N -5.47 5.46 0.56 1.15 0.01 -1.26 -4.84 113.70 109.30 3h49 s SER 145 Ca -0.13 -1.95 0.37 0.00 1.31 0.00 0.00 55.95 55.54 3h49 s SER 145 Cb 0.08 -1.91 1.52 0.00 0.21 0.00 0.00 66.02 65.92 3h49 s SER 145 CO 0.70 -0.61 1.76 -0.65 0.41 0.00 0.00 173.24 174.85 3h49 h PRO 146 N 8.23 0.00 0.00 12.44 0.11 -1.84 -0.57 132.00 150.37 3h49 h PRO 146 Ca -0.17 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 3h49 h PRO 146 Cb 1.06 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3h49 h PRO 146 CO 0.77 0.00 -0.11 -0.07 -0.21 0.00 0.00 178.00 178.38 3h49 h LEU 147 N 0.00 0.00 -7.01 2.35 3.38 -1.80 -3.25 115.31 108.99 3h49 h LEU 147 Ca 0.56 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.79 3h49 h LEU 147 Cb 2.35 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.96 3h49 h LEU 147 CO -0.01 0.11 1.89 0.18 0.09 0.00 0.00 178.44 180.71 3h49 n LEU 148 N -3.30 5.99 0.00 1.67 4.77 -0.22 -4.74 117.00 121.17 3h49 n LEU 148 Ca -0.00 -4.47 -0.12 0.00 -0.03 0.00 0.00 56.01 51.39 3h49 n LEU 148 Cb 0.34 -1.57 0.08 0.00 -2.33 0.00 0.00 43.42 39.94 3h49 n LEU 148 CO 0.30 1.00 0.35 -0.90 -1.33 0.00 0.00 177.39 176.81 3h49 n ASP 149 N 5.12 0.23 -0.18 -1.43 5.68 -1.23 -4.64 116.55 120.10 3h49 n ASP 149 Ca 0.41 -1.31 -0.01 0.00 -0.50 0.00 0.00 54.79 53.38 3h49 n ASP 149 Cb 0.40 -0.40 0.08 0.00 -1.14 0.00 0.00 41.12 40.06 3h49 n ASP 149 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3h49 h GLY 150 N -0.61 0.57 1.03 6.12 0.00 -1.93 0.16 103.07 108.41 3h49 h GLY 150 Ca -0.18 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 3h49 h GLY 150 CO 0.14 -0.17 0.35 0.50 0.00 0.00 0.00 176.54 177.36 3h49 h LYS 151 N 0.11 1.11 -0.23 4.80 1.57 -1.94 0.50 116.57 122.50 3h49 h LYS 151 Ca 0.28 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 3h49 h LYS 151 Cb 0.44 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 3h49 h LYS 151 CO -0.48 0.88 -0.20 0.00 -0.57 0.00 0.00 179.45 179.08 3h49 h ALA 152 N 1.18 0.33 -0.92 3.86 0.00 -1.71 -2.43 119.26 119.57 3h49 h ALA 152 Ca 0.26 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3h49 h ALA 152 Cb 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3h49 h ALA 152 CO -0.03 0.26 0.58 -0.07 0.00 0.00 0.00 179.25 179.99 3h49 h LEU 153 N 0.23 1.08 -0.35 0.00 3.38 -0.47 0.70 115.31 119.88 3h49 h LEU 153 Ca 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3h49 h LEU 153 Cb 0.74 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3h49 h LEU 153 CO 0.05 0.81 0.17 0.74 0.09 0.00 0.00 178.44 180.30 3h49 h THR 154 N 1.26 1.16 -0.52 0.22 2.02 -0.82 0.96 112.91 117.19 3h49 h THR 154 Ca 0.33 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 3h49 h THR 154 Cb -0.10 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3h49 h THR 154 CO -0.07 0.17 0.23 -0.08 0.37 0.00 0.00 175.52 176.14 3h49 h GLU 155 N 0.43 0.76 -0.31 6.66 4.57 -0.89 0.77 114.58 126.57 3h49 h GLU 155 Ca 0.12 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3h49 h GLU 155 Cb 0.11 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 3h49 h GLU 155 CO -0.02 0.65 0.18 0.82 -1.18 0.00 0.00 179.01 179.46 3h49 h ILE 156 N 0.70 1.12 -0.05 2.32 2.04 -0.57 -2.14 117.51 120.92 3h49 h ILE 156 Ca 0.18 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 3h49 h ILE 156 Cb 0.16 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3h49 h ILE 156 CO -0.02 0.13 -0.38 -0.26 0.00 0.00 0.00 178.15 177.61 3h49 h PHE 157 N 0.39 0.13 -0.62 1.37 0.04 -0.61 -1.68 116.94 115.96 3h49 h PHE 157 Ca 0.11 -0.03 -0.08 0.00 2.80 0.00 0.00 57.97 60.77 3h49 h PHE 157 Cb 0.05 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 3h49 h PHE 157 CO -0.03 0.48 0.06 1.15 -0.60 0.00 0.00 178.31 179.37 3h49 h THR 158 N 0.10 1.26 -0.47 -1.55 2.02 -0.54 -0.18 112.91 113.55 3h49 h THR 158 Ca 0.01 -1.07 -0.13 0.00 0.77 0.00 0.00 66.41 65.99 3h49 h THR 158 Cb 0.73 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3h49 h THR 158 CO 0.05 0.39 -0.24 1.56 0.37 0.00 0.00 175.52 177.66 3h49 h GLN 159 N 0.96 0.98 -0.23 6.66 1.08 -1.08 -2.13 115.11 121.35 3h49 h GLN 159 Ca 0.18 -0.43 -0.02 0.00 -1.45 0.00 0.00 58.65 56.93 3h49 h GLN 159 Cb 0.48 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 3h49 h GLN 159 CO 0.02 1.10 0.06 0.00 -0.95 0.00 0.00 178.83 179.06 3h49 h ALA 160 N 0.88 0.30 0.00 3.87 0.00 -0.96 -2.90 119.26 120.45 3h49 h ALA 160 Ca 0.10 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3h49 h ALA 160 Cb 0.81 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3h49 h ALA 160 CO 0.07 -0.05 -0.27 0.87 0.00 0.00 0.00 179.25 179.87 3h49 h LYS 161 N 0.19 0.00 0.00 0.00 1.79 -1.03 -1.90 116.57 115.62 3h49 h LYS 161 Ca 0.07 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.54 3h49 h LYS 161 Cb 0.27 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.92 3h49 h LYS 161 CO 0.00 0.27 -0.03 0.00 -1.08 0.00 0.00 179.45 178.61 3h49 h ALA 162 N 1.73 1.04 -0.38 3.86 0.00 -1.18 -1.56 119.26 122.77 3h49 h ALA 162 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h49 h ALA 162 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3h49 h ALA 162 CO 0.04 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.86 3h49 n ARG 163 N -3.18 3.37 -2.58 0.00 1.74 -0.73 -5.11 116.66 110.18 3h49 n ARG 163 Ca -0.01 -2.78 -0.03 0.00 -0.77 0.00 0.00 57.85 54.26 3h49 n ARG 163 Cb 0.24 -1.83 -0.02 0.00 -1.02 0.00 0.00 32.46 29.83 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 0.07 -3.86 -4.94 5.56 3.00 -0.59 -4.94 117.38 111.68 3h49 n GLN 164 Ca 0.22 3.00 -0.27 0.00 -0.01 0.00 0.00 57.00 59.94 3h49 n GLN 164 Cb 0.87 -4.98 -0.16 0.00 0.00 0.00 0.00 30.24 25.97 3h49 n GLN 164 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3h49 s ILE 166 N -1.06 1.57 -0.22 5.09 1.01 -0.56 -4.99 121.20 122.04 3h49 s ILE 166 Ca -0.15 -0.81 -0.04 0.00 0.00 0.00 0.00 60.65 59.66 3h49 s ILE 166 Cb 0.01 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 3h49 s ILE 166 CO 0.75 0.45 -0.05 -0.63 0.00 0.00 0.00 174.94 175.45 3h49 s ILE 167 N -0.11 3.32 0.07 2.92 1.01 -1.26 -0.67 121.20 126.48 3h49 s ILE 167 Ca -0.01 -0.51 0.08 0.00 0.00 0.00 0.00 60.65 60.21 3h49 s ILE 167 Cb -0.11 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 39.82 3h49 s ILE 167 CO 0.02 0.43 -0.19 0.00 0.00 0.00 0.00 174.94 175.20 3h49 s ALA 169 N -1.00 -0.83 0.00 0.00 0.00 -0.40 -0.57 121.76 118.96 3h49 s ALA 169 Ca 0.16 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.09 3h49 s ALA 169 Cb -0.10 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.45 3h49 s ALA 169 CO 0.07 -0.16 0.00 -3.47 0.00 0.00 0.00 175.76 172.19 3h49 n ASP 170 N 2.99 0.84 -3.32 0.00 -0.08 -1.10 -0.55 116.55 115.33 3h49 n ASP 170 Ca -0.14 -0.05 -0.07 0.00 -1.51 0.00 0.00 54.79 53.02 3h49 n ASP 170 Cb 0.57 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.04 3h49 n ASP 170 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 3h49 s ILE 172 N 1.50 0.00 0.13 5.18 -4.36 -1.16 -1.81 121.20 120.68 3h49 s ILE 172 Ca 0.00 -0.92 -0.30 0.00 -0.26 0.00 0.00 60.65 59.17 3h49 s ILE 172 Cb 0.00 -2.55 -0.07 0.00 1.25 0.00 0.00 42.46 41.09 3h49 s ILE 172 CO 0.00 0.00 1.17 -0.54 0.24 0.00 0.00 174.94 175.81 3h49 s LYS 173 N -2.83 4.49 0.25 0.37 1.02 -1.26 -4.84 119.74 116.94 3h49 s LYS 173 Ca 0.15 1.78 -0.29 0.00 0.02 0.00 0.00 55.97 57.63 3h49 s LYS 173 Cb -0.05 -3.30 -0.15 0.00 -0.52 0.00 0.00 37.83 33.81 3h49 s LYS 173 CO 0.09 -0.12 0.95 -2.30 -0.92 0.00 0.00 175.35 173.05 3h49 n PRO 174 N 3.12 1.07 -0.03 -1.68 -0.02 -1.26 -4.89 135.00 131.30 3h49 n PRO 174 Ca 0.06 0.37 -0.07 0.00 -2.02 0.00 0.00 63.50 61.85 3h49 n PRO 174 Cb 0.46 -1.70 -0.13 0.00 -0.02 0.00 0.00 33.50 32.10 3h49 n PRO 174 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3h49 n ARG 175 N 0.96 0.64 -2.10 -0.52 1.74 -1.26 -4.48 116.66 111.65 3h49 n ARG 175 Ca 0.12 0.22 -0.23 0.00 -0.77 0.00 0.00 57.85 57.19 3h49 n ARG 175 Cb 0.29 -1.74 0.02 0.00 -1.02 0.00 0.00 32.46 30.01 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 -2.95 4.72 -1.93 0.55 4.77 -1.26 -4.95 117.00 115.96 3h49 n LEU 176 Ca -0.18 -4.68 -0.20 0.00 -0.03 0.00 0.00 56.01 50.92 3h49 n LEU 176 Cb 1.02 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.77 3h49 n LEU 176 CO 0.44 2.06 -0.22 0.59 -1.33 0.00 0.00 177.39 178.93 3h49 n ASN 177 N -0.69 -5.52 -4.73 -1.43 3.02 -1.26 -4.96 115.26 99.68 3h49 n ASN 177 Ca 0.42 0.20 -0.33 0.00 -0.03 0.00 0.00 54.58 54.83 3h49 n ASN 177 Cb 0.94 -4.64 0.09 0.00 -0.61 0.00 0.00 39.78 35.56 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 -4.42 2.13 0.38 3.52 8.01 -1.26 -5.03 118.70 122.03 3h49 s GLU 178 Ca 0.00 1.56 0.08 0.00 0.01 0.00 0.00 54.97 56.62 3h49 s GLU 178 Cb 0.00 -1.85 -0.07 0.00 -4.31 0.00 0.00 34.13 27.89 3h49 s GLU 178 CO 0.00 -1.80 -0.04 0.95 0.01 0.00 0.00 175.26 174.38 3h49 s THR 179 N -2.30 2.10 0.38 3.63 -4.23 -1.26 -4.84 115.64 109.12 3h49 s THR 179 Ca 0.70 -2.09 0.07 0.00 -1.18 0.00 0.00 61.69 59.18 3h49 s THR 179 Cb -0.24 -2.84 0.21 0.00 1.34 0.00 0.00 72.50 70.97 3h49 s THR 179 CO 0.48 -0.09 1.98 0.25 -0.54 0.00 0.00 174.62 176.69 3h49 h LEU 180 N 1.89 0.44 -1.61 4.79 5.85 -1.96 -1.65 115.31 123.06 3h49 h LEU 180 Ca -0.43 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 3h49 h LEU 180 Cb 1.24 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3h49 h LEU 180 CO 0.76 0.42 -0.21 0.44 -0.34 0.00 0.00 178.44 179.51 3h49 h ASP 181 N 0.48 0.00 1.10 1.25 3.32 -1.96 0.34 116.42 120.95 3h49 h ASP 181 Ca 0.12 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3h49 h ASP 181 Cb 0.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 3h49 h ASP 181 CO -0.01 0.21 -0.15 0.44 -1.72 0.00 0.00 179.24 178.01 3h49 h ASP 182 N 0.00 0.00 -0.05 6.45 3.32 -1.70 -3.18 116.42 121.26 3h49 h ASP 182 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3h49 h ASP 182 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3h49 h ASP 182 CO 0.03 0.15 0.00 2.30 -1.72 0.00 0.00 179.24 180.00 3h49 n ILE 183 N -3.26 0.38 -0.22 0.35 -5.35 -0.91 -4.01 119.36 106.33 3h49 n ILE 183 Ca 0.01 -0.69 0.01 0.00 -0.27 0.00 0.00 62.75 61.81 3h49 n ILE 183 Cb 0.42 0.86 0.13 0.00 -1.74 0.00 0.00 39.64 39.31 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 0.47 0.62 -0.58 0.00 4.81 -1.85 -2.69 114.58 115.37 3h49 h GLU 185 Ca 0.34 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.39 3h49 h GLU 185 Cb 0.42 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3h49 h GLU 185 CO -0.31 0.60 0.13 0.00 -0.73 0.00 0.00 179.01 178.69 3h49 h ALA 186 N 0.99 1.13 0.00 2.92 0.00 -1.68 -2.47 119.26 120.15 3h49 h ALA 186 Ca 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3h49 h ALA 186 Cb 0.22 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3h49 h ALA 186 CO -0.01 0.58 -0.03 -0.07 0.00 0.00 0.00 179.25 179.72 3h49 h LEU 187 N 0.87 0.00 -0.65 0.00 3.38 -0.73 -1.68 115.31 116.50 3h49 h LEU 187 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3h49 h LEU 187 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3h49 h LEU 187 CO 0.00 0.03 0.00 -1.54 0.09 0.00 0.00 178.44 177.03 3h49 n SER 188 N -3.51 0.40 0.00 -0.43 3.41 -0.93 -1.50 113.62 111.06 3h49 n SER 188 Ca -0.02 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.33 3h49 n SER 188 Cb 0.14 -0.70 -0.01 0.00 -0.26 0.00 0.00 64.21 63.38 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 -1.98 0.04 -2.61 7.33 4.01 -0.63 -4.64 117.16 118.69 3h49 n TYR 189 Ca 0.01 0.01 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 3h49 n TYR 189 Cb 0.13 -0.15 -0.03 0.00 -0.31 0.00 0.00 39.34 38.97 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 -3.06 4.41 -0.10 -0.72 1.01 -0.56 -4.72 120.40 116.66 3h49 s VAL 190 Ca 0.07 1.83 -0.09 0.00 0.00 0.00 0.00 61.98 63.79 3h49 s VAL 190 Cb 0.16 -4.17 -0.27 0.00 0.00 0.00 0.00 36.38 32.10 3h49 s VAL 190 CO 0.82 0.20 0.45 0.44 0.00 0.00 0.00 175.10 177.01 3h49 h ASP 191 N 6.29 0.45 -3.25 3.32 3.32 -1.21 -2.04 116.42 123.30 3h49 h ASP 191 Ca -0.42 -0.92 -0.47 0.00 0.02 0.00 0.00 57.03 55.24 3h49 h ASP 191 Cb 1.22 -0.15 -0.38 0.00 0.22 0.00 0.00 39.33 40.24 3h49 h ASP 191 CO 0.76 1.81 -0.77 -0.31 -1.72 0.00 0.00 179.24 179.00 3h49 s TYR 192 N -2.55 0.91 -0.15 4.55 2.02 -0.85 -1.23 117.35 120.06 3h49 s TYR 192 Ca -0.21 -0.44 -0.03 0.00 -0.37 0.00 0.00 57.07 56.01 3h49 s TYR 192 Cb 0.06 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 40.66 3h49 s TYR 192 CO 0.78 -0.43 -0.03 -1.17 -1.57 0.00 0.00 175.55 173.13 3h49 s LEU 193 N 1.90 3.32 -0.77 -1.29 2.96 -0.12 -1.27 118.68 123.40 3h49 s LEU 193 Ca 0.03 -0.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 3h49 s LEU 193 Cb -0.14 -1.79 0.26 0.00 0.50 0.00 0.00 46.19 45.02 3h49 s LEU 193 CO -0.06 0.20 0.93 0.49 -1.32 0.00 0.00 176.35 176.59 3h49 n PHE 194 N 3.32 3.32 -2.24 5.38 3.72 0.29 -0.29 117.46 130.95 3h49 n PHE 194 Ca -0.17 -3.76 -0.32 0.00 -0.05 0.00 0.00 57.45 53.14 3h49 n PHE 194 Cb 0.53 -0.77 -0.02 0.00 -0.94 0.00 0.00 39.48 38.28 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 -2.48 3.82 -0.02 -1.08 0.04 -1.24 -4.64 135.00 129.41 3h49 s PRO 195 Ca 0.37 0.91 -0.18 0.00 0.04 0.00 0.00 61.00 62.14 3h49 s PRO 195 Cb 0.11 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 3h49 s PRO 195 CO 0.01 -0.38 0.51 -0.80 0.04 0.00 0.00 177.00 176.38 3h49 s ASN 196 N -3.35 6.87 0.10 6.66 0.01 -1.26 -3.81 114.94 120.17 3h49 s ASN 196 Ca 0.58 1.03 -0.29 0.00 -0.71 0.00 0.00 52.86 53.47 3h49 s ASN 196 Cb -0.10 -2.31 -0.11 0.00 0.41 0.00 0.00 41.25 39.14 3h49 s ASN 196 CO 0.38 0.17 1.48 0.15 -1.51 0.00 0.00 177.10 177.76 3h49 h PHE 197 N 5.48 -1.43 -0.01 2.20 3.57 -1.95 0.20 116.94 125.00 3h49 h PHE 197 Ca -0.47 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.12 3h49 h PHE 197 Cb 1.20 0.65 -0.06 0.00 2.79 0.00 0.00 35.95 40.53 3h49 h PHE 197 CO 0.66 -0.46 -0.43 0.00 -2.23 0.00 0.00 178.31 175.86 3h49 h ALA 198 N -0.40 -0.68 -0.71 2.41 0.00 -1.95 -1.12 119.26 116.82 3h49 h ALA 198 Ca 0.04 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h49 h ALA 198 Cb 0.57 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 3h49 h ALA 198 CO -0.41 -0.96 0.44 0.93 0.00 0.00 0.00 179.25 179.25 3h49 h GLU 199 N -0.57 0.96 -0.05 0.00 5.08 -1.95 -1.78 114.58 116.26 3h49 h GLU 199 Ca 0.05 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3h49 h GLU 199 Cb 0.65 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 3h49 h GLU 199 CO -0.33 0.67 0.04 0.00 -1.00 0.00 0.00 179.01 178.39 3h49 h ALA 200 N 1.23 1.98 -0.32 3.43 0.00 -0.21 -1.12 119.26 124.26 3h49 h ALA 200 Ca 0.26 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3h49 h ALA 200 Cb -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3h49 h ALA 200 CO -0.05 -0.06 -0.05 -0.22 0.00 0.00 0.00 179.25 178.87 3h49 h LYS 201 N 0.00 0.60 0.00 0.00 3.64 -0.31 -2.06 116.57 118.44 3h49 h LYS 201 Ca 0.02 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3h49 h LYS 201 Cb 0.09 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3h49 h LYS 201 CO -0.00 0.77 -0.00 -0.07 -2.27 0.00 0.00 179.45 177.88 3h49 h LEU 202 N 0.39 -0.01 -0.74 5.20 3.38 -1.04 0.71 115.31 123.20 3h49 h LEU 202 Ca 0.08 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3h49 h LEU 202 Cb 0.53 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3h49 h LEU 202 CO 0.03 0.26 0.48 0.25 0.09 0.00 0.00 178.44 179.55 3h49 h LEU 203 N -0.27 0.82 0.04 1.67 5.85 -1.32 -3.12 115.31 118.99 3h49 h LEU 203 Ca -0.00 -0.01 -0.30 0.00 0.84 0.00 0.00 57.88 58.40 3h49 h LEU 203 Cb 0.26 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3h49 h LEU 203 CO 0.00 0.58 -1.68 0.71 -0.34 0.00 0.00 178.44 177.71 3h49 h THR 204 N 0.97 0.92 -0.03 1.05 1.35 -1.39 -3.43 112.91 112.34 3h49 h THR 204 Ca 0.28 -2.70 -0.01 0.00 -0.55 0.00 0.00 66.41 63.43 3h49 h THR 204 Cb -0.06 2.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3h49 h THR 204 CO -0.08 0.66 -0.01 0.61 -0.25 0.00 0.00 175.52 176.46 3h49 n GLY 205 N 1.64 0.37 3.46 5.82 0.00 0.25 -5.05 105.19 111.68 3h49 n GLY 205 Ca -0.18 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.42 1.67 -0.18 1.61 -0.14 -1.16 -5.04 119.74 113.08 3h49 s LYS 206 Ca 0.00 -1.37 0.03 0.00 -1.36 0.00 0.00 55.97 53.26 3h49 s LYS 206 Cb 0.00 -1.97 -0.22 0.00 -1.68 0.00 0.00 37.83 33.95 3h49 s LYS 206 CO 0.00 0.43 0.13 0.39 -0.76 0.00 0.00 175.35 175.54 3h49 n GLU 207 N 0.42 0.69 -3.29 1.68 -0.58 -1.26 -4.61 120.64 113.69 3h49 n GLU 207 Ca -0.14 0.18 -0.39 0.00 -0.42 0.00 0.00 57.16 56.40 3h49 n GLU 207 Cb 0.55 -1.62 -0.06 0.00 -0.57 0.00 0.00 31.44 29.74 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 -2.54 4.83 0.42 2.62 -4.23 -1.26 -4.95 115.64 110.53 3h49 s THR 208 Ca -0.23 1.16 0.23 0.00 -1.18 0.00 0.00 61.69 61.67 3h49 s THR 208 Cb 0.08 -3.88 0.43 0.00 1.34 0.00 0.00 72.50 70.47 3h49 s THR 208 CO 0.72 0.52 1.75 -0.07 -0.54 0.00 0.00 174.62 177.00 3h49 h LEU 209 N 4.87 0.35 0.64 4.79 3.38 -1.98 -0.21 115.31 127.15 3h49 h LEU 209 Ca -0.49 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 3h49 h LEU 209 Cb 1.21 0.03 0.01 0.00 0.09 0.00 0.00 40.66 42.00 3h49 h LEU 209 CO 0.65 0.03 -0.31 -0.78 0.09 0.00 0.00 178.44 178.12 3h49 h ASP 210 N 0.29 -0.73 0.46 -0.43 3.58 -1.98 -0.97 116.42 116.63 3h49 h ASP 210 Ca 0.63 -0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.93 3h49 h ASP 210 Cb 1.79 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 43.01 3h49 h ASP 210 CO -0.28 -0.41 -0.57 1.05 -2.88 0.00 0.00 179.24 176.15 3h49 h GLU 211 N -1.04 0.12 -0.62 0.28 4.11 -1.86 -0.27 114.58 115.30 3h49 h GLU 211 Ca -0.09 -0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.26 3h49 h GLU 211 Cb 0.70 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 3h49 h GLU 211 CO 0.14 0.66 0.37 0.82 0.07 0.00 0.00 179.01 181.07 3h49 h ILE 212 N 0.09 1.18 -0.22 -1.06 2.04 -1.08 -1.55 117.51 116.91 3h49 h ILE 212 Ca -0.00 -0.42 -0.13 0.00 1.00 0.00 0.00 64.86 65.30 3h49 h ILE 212 Cb 1.04 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3h49 h ILE 212 CO 0.08 0.19 -0.42 0.00 0.00 0.00 0.00 178.15 178.01 3h49 h ALA 213 N 1.18 0.86 -0.77 1.87 0.00 -0.90 -3.02 119.26 118.49 3h49 h ALA 213 Ca 0.22 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3h49 h ALA 213 Cb -0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3h49 h ALA 213 CO -0.04 0.64 0.49 -0.44 0.00 0.00 0.00 179.25 179.91 3h49 h ASP 214 N 0.43 0.89 -0.92 0.00 3.32 -0.37 -1.13 116.42 118.65 3h49 h ASP 214 Ca 0.04 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 57.09 3h49 h ASP 214 Cb 0.91 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.19 3h49 h ASP 214 CO 0.08 0.66 0.59 0.00 -1.72 0.00 0.00 179.24 178.85 3h49 h PHE 216 N 1.15 1.03 -0.16 0.00 0.04 -1.49 -3.03 116.94 114.48 3h49 h PHE 216 Ca 0.37 -0.53 -0.03 0.00 2.80 0.00 0.00 57.97 60.58 3h49 h PHE 216 Cb 0.01 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 3h49 h PHE 216 CO -0.01 1.36 -0.03 -0.07 -0.60 0.00 0.00 178.31 178.96 3h49 h LEU 217 N 0.43 0.21 -2.07 1.54 3.38 -0.82 -1.13 115.31 116.85 3h49 h LEU 217 Ca -0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3h49 h LEU 217 Cb 1.60 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 42.30 3h49 h LEU 217 CO 0.19 0.28 -0.07 0.00 0.09 0.00 0.00 178.44 178.92 3h49 h ALA 218 N 1.75 1.57 -0.00 1.53 0.00 -0.55 -1.53 119.26 122.02 3h49 h ALA 218 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h49 h ALA 218 Cb 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3h49 h ALA 218 CO 0.01 0.09 -0.28 0.00 0.00 0.00 0.00 179.25 179.07 3h49 n GLY 220 N 1.39 0.86 3.71 0.00 0.00 -0.58 -2.93 105.19 107.64 3h49 n GLY 220 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 2.32 -0.00 1.61 1.01 -1.16 -4.58 120.40 117.60 3h49 s VAL 221 Ca 0.00 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 3h49 s VAL 221 Cb 0.00 -3.06 -0.18 0.00 0.00 0.00 0.00 36.38 33.14 3h49 s VAL 221 CO 0.00 0.00 1.27 0.11 0.00 0.00 0.00 175.10 176.48 3h49 h LYS 222 N 7.56 -0.13 -4.06 2.72 1.79 -1.51 -3.41 116.57 119.53 3h49 h LYS 222 Ca -0.44 0.01 -0.45 0.00 -2.18 0.00 0.00 60.65 57.59 3h49 h LYS 222 Cb 1.21 0.03 -0.35 0.00 -1.58 0.00 0.00 32.23 31.54 3h49 h LYS 222 CO 0.95 0.26 -0.78 0.99 -1.08 0.00 0.00 179.45 179.78 3h49 s THR 223 N -4.49 0.66 -0.27 -0.16 2.01 -0.36 -4.48 115.64 108.54 3h49 s THR 223 Ca -0.15 -0.15 -0.10 0.00 0.31 0.00 0.00 61.69 61.61 3h49 s THR 223 Cb 0.02 -0.69 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 3h49 s THR 223 CO 0.62 0.27 0.15 -0.69 -0.69 0.00 0.00 174.62 174.28 3h49 s VAL 224 N 1.20 4.90 -0.36 3.82 1.01 -0.19 -0.95 120.40 129.83 3h49 s VAL 224 Ca -0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 3h49 s VAL 224 Cb -0.14 -3.34 0.10 0.00 0.00 0.00 0.00 36.38 33.00 3h49 s VAL 224 CO -0.02 0.26 0.11 -0.69 0.00 0.00 0.00 175.10 174.76 3h49 s VAL 225 N 1.70 2.84 -0.28 2.92 1.01 0.60 -0.73 120.40 128.46 3h49 s VAL 225 Ca 0.07 -2.04 -0.11 0.00 0.00 0.00 0.00 61.98 59.89 3h49 s VAL 225 Cb -0.16 -2.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 3h49 s VAL 225 CO 0.08 -0.55 0.19 -0.63 0.00 0.00 0.00 175.10 174.19 3h49 s ILE 226 N 1.07 5.24 -0.03 2.22 1.01 0.59 -3.60 121.20 127.69 3h49 s ILE 226 Ca 0.06 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.52 3h49 s ILE 226 Cb -0.21 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.72 3h49 s ILE 226 CO -0.05 0.23 1.01 -0.75 0.00 0.00 0.00 174.94 175.37 3h49 s LYS 227 N 1.75 4.50 -0.66 2.79 2.20 -1.25 -0.05 119.74 129.02 3h49 s LYS 227 Ca 0.07 1.43 0.05 0.00 -0.36 0.00 0.00 55.97 57.16 3h49 s LYS 227 Cb -0.16 -3.48 0.30 0.00 -1.51 0.00 0.00 37.83 32.97 3h49 s LYS 227 CO 0.10 -0.16 0.93 0.25 -0.36 0.00 0.00 175.35 176.11 3h49 n THR 228 N 4.14 3.02 0.00 3.43 -2.24 -0.47 -3.98 114.28 118.17 3h49 n THR 228 Ca 0.07 -5.46 0.00 0.00 -2.27 0.00 0.00 64.05 56.39 3h49 n THR 228 Cb 0.50 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 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 0.35 0.00 0.00 3.38 0.00 -1.26 -1.58 105.19 106.08 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 1.17 0.00 0.00 0.00 173.32 174.49 3h49 n LYS 230 N 0.00 0.00 -1.38 1.61 4.81 -1.26 -4.93 118.16 117.01 3h49 n LYS 230 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 3h49 n LYS 230 Cb 0.00 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.16 3h49 n LYS 230 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3h49 n ASP 231 N 0.00 5.07 0.00 3.14 5.68 -0.61 -4.32 116.55 125.50 3h49 n ASP 231 Ca 0.00 -3.76 0.00 0.00 -0.50 0.00 0.00 54.79 50.53 3h49 n ASP 231 Cb 0.00 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.29 3h49 n ASP 231 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h49 n GLY 232 N -0.94 2.16 3.20 6.12 0.00 -1.26 -3.53 105.19 110.94 3h49 n GLY 232 Ca 0.49 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.27 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 2.89 -0.10 0.00 5.36 0.93 -1.97 117.98 122.21 3h49 s PHE 234 Ca -0.03 -1.18 0.01 0.00 -0.96 0.00 0.00 56.93 54.77 3h49 s PHE 234 Cb 0.00 -2.04 -0.02 0.00 -0.34 0.00 0.00 43.02 40.63 3h49 s PHE 234 CO -0.06 -0.63 -0.12 0.42 -1.46 0.00 0.00 175.22 173.37 3h49 s ILE 235 N 1.40 3.22 0.00 3.12 1.01 -1.26 -0.30 121.20 128.39 3h49 s ILE 235 Ca 0.05 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.09 3h49 s ILE 235 Cb -0.14 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 3h49 s ILE 235 CO -0.07 0.55 -0.04 -0.75 0.00 0.00 0.00 174.94 174.63 3h49 s LYS 236 N -0.08 0.31 0.33 2.79 2.47 0.10 -4.34 119.74 121.32 3h49 s LYS 236 Ca -0.01 -0.22 0.04 0.00 -1.56 0.00 0.00 55.97 54.22 3h49 s LYS 236 Cb -0.14 -0.26 -0.03 0.00 -1.46 0.00 0.00 37.83 35.94 3h49 s LYS 236 CO 0.03 0.07 0.18 1.03 0.16 0.00 0.00 175.35 176.82 3h49 s ARG 237 N -0.31 1.70 0.40 4.03 0.52 -1.26 -1.02 118.95 123.01 3h49 s ARG 237 Ca -0.01 -1.99 0.28 0.00 -0.52 0.00 0.00 55.73 53.49 3h49 s ARG 237 Cb -0.03 -0.09 1.05 0.00 0.52 0.00 0.00 34.95 36.40 3h49 s ARG 237 CO -0.00 -0.51 1.82 0.78 0.02 0.00 0.00 175.30 177.42 3h49 h GLY 238 N 2.11 0.00 -0.83 -3.53 0.00 -1.91 -3.43 103.07 95.48 3h49 h GLY 238 Ca -0.32 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3h49 h GLY 238 CO 0.49 0.00 -0.28 2.09 0.00 0.00 0.00 176.54 178.84 3h49 n ASP 239 N -2.72 2.08 -3.95 0.19 5.68 -1.26 -5.25 116.55 111.32 3h49 n ASP 239 Ca 0.02 -3.60 -0.10 0.00 -0.50 0.00 0.00 54.79 50.60 3h49 n ASP 239 Cb 0.32 -0.51 -0.06 0.00 -1.14 0.00 0.00 41.12 39.73 3h49 n ASP 239 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3h49 s THR 241 N -3.11 0.00 -0.29 2.12 2.01 -1.26 -5.23 115.64 109.87 3h49 s THR 241 Ca 0.37 -1.56 -0.16 0.00 0.31 0.00 0.00 61.69 60.65 3h49 s THR 241 Cb 0.34 -2.33 0.15 0.00 0.01 0.00 0.00 72.50 70.68 3h49 s THR 241 CO -0.03 0.00 0.97 -0.54 -0.69 0.00 0.00 174.62 174.33 3h49 s LYS 243 N -3.93 0.36 -0.33 4.92 1.02 -1.26 -5.01 119.74 115.52 3h49 s LYS 243 Ca 0.27 0.71 0.02 0.00 0.02 0.00 0.00 55.97 56.99 3h49 s LYS 243 Cb 0.01 0.21 0.10 0.00 -0.52 0.00 0.00 37.83 37.63 3h49 s LYS 243 CO 0.11 -0.09 0.06 0.08 -0.92 0.00 0.00 175.35 174.59 3h49 s VAL 244 N 1.72 1.80 0.47 3.17 1.01 -0.83 -5.02 120.40 122.73 3h49 s VAL 244 Ca -0.07 -2.02 -0.22 0.00 0.00 0.00 0.00 61.98 59.67 3h49 s VAL 244 Cb -0.05 -2.34 -0.09 0.00 0.00 0.00 0.00 36.38 33.90 3h49 s VAL 244 CO -0.16 -0.62 0.92 -2.65 0.00 0.00 0.00 175.10 172.60 3h49 n PRO 245 N 4.45 1.13 -1.09 2.72 -0.02 -1.25 -1.50 135.00 139.44 3h49 n PRO 245 Ca 0.02 0.41 -0.32 0.00 -2.02 0.00 0.00 63.50 61.59 3h49 n PRO 245 Cb 0.42 -2.00 0.12 0.00 -0.02 0.00 0.00 33.50 32.02 3h49 n PRO 245 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h49 s ALA 246 N -1.38 1.94 0.05 3.55 0.00 -1.23 -4.51 121.76 120.18 3h49 s ALA 246 Ca 0.66 0.49 -0.31 0.00 0.00 0.00 0.00 51.96 52.81 3h49 s ALA 246 Cb -0.52 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.16 3h49 s ALA 246 CO 0.55 -2.15 1.43 0.54 0.00 0.00 0.00 175.76 176.13 3h49 s VAL 247 N -2.65 3.47 0.53 0.00 0.11 -1.26 -4.69 120.40 115.91 3h49 s VAL 247 Ca 0.65 0.95 -0.18 0.00 -2.93 0.00 0.00 61.98 60.48 3h49 s VAL 247 Cb -0.21 -3.61 -0.07 0.00 -1.53 0.00 0.00 36.38 30.96 3h49 s VAL 247 CO 0.54 0.02 1.03 0.00 -3.33 0.00 0.00 175.10 173.37 3h49 s ALA 248 N 1.97 2.86 0.00 1.54 0.00 -1.26 -4.20 121.76 122.67 3h49 s ALA 248 Ca 0.65 0.44 0.00 0.00 0.00 0.00 0.00 51.96 53.06 3h49 s ALA 248 Cb -0.34 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3h49 s ALA 248 CO 0.29 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.98 3h49 n GLY 249 N -0.77 0.74 3.27 0.00 0.00 -1.26 -5.07 105.19 102.10 3h49 n GLY 249 Ca 0.08 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 3h49 n GLY 249 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h49 s ILE 250 N -2.00 3.17 -0.06 -0.61 -1.09 -1.26 -5.00 121.20 114.36 3h49 s ILE 250 Ca 0.00 -0.70 -0.00 0.00 -2.23 0.00 0.00 60.65 57.72 3h49 s ILE 250 Cb 0.00 -2.50 -0.00 0.00 -1.58 0.00 0.00 42.46 38.38 3h49 s ILE 250 CO 0.00 0.34 -0.01 0.00 -1.23 0.00 0.00 174.94 174.04 3h49 h THR 251 N 5.86 0.00 -2.02 2.92 1.03 -1.96 -3.51 112.91 115.23 3h49 h THR 251 Ca -0.39 -0.54 0.00 0.00 -0.01 0.00 0.00 66.41 65.48 3h49 h THR 251 Cb 1.14 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.22 3h49 h THR 251 CO 0.60 0.00 -0.08 0.00 -0.01 0.00 0.00 175.52 176.03 3h49 n ALA 252 N -2.46 -2.92 -0.11 0.00 0.00 -1.26 -4.97 120.51 108.79 3h49 n ALA 252 Ca -0.00 0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 3h49 n ALA 252 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 3h49 n ALA 252 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3h49 h ILE 253 N 0.35 1.28 -3.96 0.00 3.07 -1.29 -3.46 117.51 113.50 3h49 h ILE 253 Ca 0.00 -1.12 -0.30 0.00 1.55 0.00 0.00 64.86 64.99 3h49 h ILE 253 Cb 0.00 1.36 -0.22 0.00 -0.27 0.00 0.00 36.82 37.69 3h49 h ILE 253 CO 0.00 0.36 -0.74 -0.62 -1.05 0.00 0.00 178.15 176.10 3h49 s ASP 254 N -6.21 0.98 0.00 2.16 2.15 -1.03 -5.06 116.67 109.67 3h49 s ASP 254 Ca -0.13 -0.54 0.09 0.00 0.43 0.00 0.00 52.55 52.40 3h49 s ASP 254 Cb 0.09 0.02 0.00 0.00 -0.30 0.00 0.00 42.92 42.72 3h49 s ASP 254 CO 0.79 -0.17 0.60 0.35 -0.17 0.00 0.00 175.17 176.57 3h49 n THR 255 N 1.51 0.00 -1.85 1.71 -2.24 -1.26 -4.21 114.28 107.94 3h49 n THR 255 Ca -0.22 -0.41 -0.42 0.00 -2.27 0.00 0.00 64.05 60.73 3h49 n THR 255 Cb 0.55 1.11 -0.03 0.00 -2.10 0.00 0.00 70.33 69.86 3h49 n THR 255 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3h49 s ILE 256 N -1.25 2.39 0.00 2.28 -4.36 -1.26 -0.82 121.20 118.17 3h49 s ILE 256 Ca 0.08 0.27 0.00 0.00 -0.26 0.00 0.00 60.65 60.74 3h49 s ILE 256 Cb 0.07 -3.17 0.00 0.00 1.25 0.00 0.00 42.46 40.61 3h49 s ILE 256 CO 0.22 0.02 0.00 0.61 0.24 0.00 0.00 174.94 176.03 3h49 n GLY 257 N 3.85 1.14 0.15 6.27 0.00 -1.26 -3.53 105.19 111.82 3h49 n GLY 257 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 0.20 -0.75 4.61 0.00 -1.31 0.71 119.26 122.72 3h49 h ALA 258 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3h49 h ALA 258 Cb 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3h49 h ALA 258 CO 0.00 -0.47 0.42 0.78 0.00 0.00 0.00 179.25 179.98 3h49 h GLY 259 N -0.01 1.11 0.97 0.00 0.00 -1.92 -0.07 103.07 103.15 3h49 h GLY 259 Ca 0.16 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 3h49 h GLY 259 CO -0.34 0.47 0.05 -0.55 0.00 0.00 0.00 176.54 176.17 3h49 h ASP 260 N 1.05 0.75 0.06 0.19 3.32 -1.65 -1.48 116.42 118.65 3h49 h ASP 260 Ca 0.27 -0.28 -0.12 0.00 0.02 0.00 0.00 57.03 56.92 3h49 h ASP 260 Cb 0.01 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3h49 h ASP 260 CO -0.05 0.83 -0.40 0.78 -1.72 0.00 0.00 179.24 178.68 3h49 h ASN 261 N 0.63 0.47 0.26 6.45 2.35 -0.53 -1.45 115.58 123.77 3h49 h ASN 261 Ca 0.14 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3h49 h ASN 261 Cb 0.42 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3h49 h ASN 261 CO 0.01 0.83 -0.13 0.15 -1.65 0.00 0.00 177.43 176.65 3h49 h PHE 262 N 0.37 -0.33 -0.83 1.19 3.57 -0.77 -0.91 116.94 119.24 3h49 h PHE 262 Ca 0.03 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 3h49 h PHE 262 Cb 0.87 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 3h49 h PHE 262 CO 0.03 -0.20 0.48 0.00 -2.23 0.00 0.00 178.31 176.39 3h49 h ALA 263 N 0.39 1.29 -0.65 2.41 0.00 -1.19 -1.01 119.26 120.50 3h49 h ALA 263 Ca -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3h49 h ALA 263 Cb 0.27 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3h49 h ALA 263 CO 0.06 0.60 0.24 0.77 0.00 0.00 0.00 179.25 180.91 3h49 h SER 264 N 1.14 0.92 -0.42 0.00 0.02 -1.03 -0.30 113.55 113.90 3h49 h SER 264 Ca 0.29 -0.19 -0.14 0.00 -0.84 0.00 0.00 61.79 60.92 3h49 h SER 264 Cb -0.02 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 3h49 h SER 264 CO -0.05 0.86 -0.27 1.23 -1.14 0.00 0.00 176.83 177.46 3h49 h GLY 265 N 0.93 1.03 0.96 -3.77 0.00 -0.69 -0.79 103.07 100.74 3h49 h GLY 265 Ca 0.21 -0.95 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 3h49 h GLY 265 CO -0.01 0.86 0.19 -2.75 0.00 0.00 0.00 176.54 174.83 3h49 h PHE 266 N 0.80 0.69 -0.53 5.60 3.57 -0.95 -1.60 116.94 124.53 3h49 h PHE 266 Ca 0.09 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 3h49 h PHE 266 Cb 0.85 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 3h49 h PHE 266 CO 0.05 0.58 0.18 0.82 -2.23 0.00 0.00 178.31 177.72 3h49 h ILE 267 N 0.60 1.23 -0.74 1.41 2.04 -0.92 -0.33 117.51 120.80 3h49 h ILE 267 Ca 0.15 -0.76 0.01 0.00 1.00 0.00 0.00 64.86 65.27 3h49 h ILE 267 Cb 0.18 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 3h49 h ILE 267 CO -0.01 0.28 0.49 0.00 0.00 0.00 0.00 178.15 178.91 3h49 h ALA 268 N 1.04 0.94 -0.49 1.87 0.00 -0.96 -1.46 119.26 120.20 3h49 h ALA 268 Ca 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3h49 h ALA 268 Cb 0.26 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3h49 h ALA 268 CO -0.01 0.34 0.17 0.00 0.00 0.00 0.00 179.25 179.76 3h49 h ALA 269 N 1.27 0.63 -0.32 0.00 0.00 -0.90 -2.58 119.26 117.36 3h49 h ALA 269 Ca 0.27 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3h49 h ALA 269 Cb -0.10 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3h49 h ALA 269 CO -0.06 0.27 0.09 -0.07 0.00 0.00 0.00 179.25 179.47 3h49 h LEU 270 N 0.65 0.08 -1.92 0.00 3.38 -0.52 -1.91 115.31 115.06 3h49 h LEU 270 Ca 0.16 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3h49 h LEU 270 Cb 0.23 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3h49 h LEU 270 CO -0.01 0.08 -0.03 -0.07 0.09 0.00 0.00 178.44 178.50 3h49 h LEU 271 N 0.22 0.00 -0.44 1.67 3.38 -1.14 -0.49 115.31 118.50 3h49 h LEU 271 Ca 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3h49 h LEU 271 Cb 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3h49 h LEU 271 CO -0.17 0.04 0.00 -0.62 0.09 0.00 0.00 178.44 177.78 3h49 n GLU 272 N -4.50 1.30 -1.71 1.13 1.02 -0.75 -4.93 120.64 112.21 3h49 n GLU 272 Ca -0.03 -0.44 -0.07 0.00 -0.02 0.00 0.00 57.16 56.60 3h49 n GLU 272 Cb 0.12 -1.46 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 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 1.05 0.46 3.84 0.62 0.00 -0.19 -5.03 105.19 105.94 3h49 n GLY 273 Ca 0.21 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 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 -3.55 3.76 0.99 1.61 1.02 -1.01 -5.05 119.74 117.52 3h49 s LYS 274 Ca 0.00 0.92 -0.13 0.00 0.02 0.00 0.00 55.97 56.78 3h49 s LYS 274 Cb 0.00 -2.11 0.18 0.00 -0.52 0.00 0.00 37.83 35.39 3h49 s LYS 274 CO 0.00 -0.43 1.12 0.54 -0.92 0.00 0.00 175.35 175.66 3h49 s ASN 275 N -3.36 2.76 0.26 2.83 2.20 -1.26 -4.69 114.94 113.68 3h49 s ASN 275 Ca 0.58 0.98 -0.02 0.00 -0.94 0.00 0.00 52.86 53.46 3h49 s ASN 275 Cb -0.11 -1.54 0.45 0.00 -2.00 0.00 0.00 41.25 38.05 3h49 s ASN 275 CO 0.39 -3.02 1.82 0.25 -2.94 0.00 0.00 177.10 173.60 3h49 h LEU 276 N -1.82 0.79 -0.53 3.54 5.85 -1.99 0.38 115.31 121.53 3h49 h LEU 276 Ca -0.52 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 3h49 h LEU 276 Cb 1.33 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 3h49 h LEU 276 CO 0.56 0.44 0.11 -0.09 -0.34 0.00 0.00 178.44 179.13 3h49 h ARG 277 N 0.89 0.86 -0.29 1.25 2.43 -1.99 -1.29 114.38 116.23 3h49 h ARG 277 Ca 0.44 -0.22 -0.08 0.00 -0.81 0.00 0.00 59.98 59.31 3h49 h ARG 277 Cb 0.40 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3h49 h ARG 277 CO -0.25 0.83 -0.16 0.93 -1.51 0.00 0.00 179.97 179.80 3h49 h GLU 278 N 0.75 0.52 -0.27 0.20 5.08 -1.66 -1.38 114.58 117.81 3h49 h GLU 278 Ca 0.16 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 3h49 h GLU 278 Cb 0.36 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3h49 h GLU 278 CO 0.00 0.67 -0.05 0.00 -1.00 0.00 0.00 179.01 178.63 3h49 h ALA 280 N 0.78 0.99 -0.49 0.00 0.00 -1.05 0.13 119.26 119.62 3h49 h ALA 280 Ca 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3h49 h ALA 280 Cb 0.51 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3h49 h ALA 280 CO 0.02 0.53 0.18 0.00 0.00 0.00 0.00 179.25 179.99 3h49 h ARG 281 N 1.07 0.74 -0.54 0.00 3.08 -1.15 0.11 114.38 117.69 3h49 h ARG 281 Ca 0.27 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.11 3h49 h ARG 281 Cb 0.08 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3h49 h ARG 281 CO -0.04 0.67 0.08 0.35 -1.07 0.00 0.00 179.97 179.96 3h49 h PHE 282 N 0.65 0.96 -0.32 3.04 3.57 -0.88 0.26 116.94 124.22 3h49 h PHE 282 Ca 0.16 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3h49 h PHE 282 Cb 0.22 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3h49 h PHE 282 CO 0.01 0.86 0.19 0.00 -2.23 0.00 0.00 178.31 177.14 3h49 h ALA 283 N 0.98 0.41 -0.68 2.41 0.00 -0.45 -0.07 119.26 121.87 3h49 h ALA 283 Ca 0.16 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3h49 h ALA 283 Cb 0.43 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3h49 h ALA 283 CO 0.01 -0.07 0.27 -0.91 0.00 0.00 0.00 179.25 178.55 3h49 h ASN 284 N 0.41 0.92 -0.35 0.00 2.35 -0.53 -1.45 115.58 116.93 3h49 h ASN 284 Ca 0.12 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 3h49 h ASN 284 Cb 0.03 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3h49 h ASN 284 CO -0.02 0.82 -0.08 0.00 -1.65 0.00 0.00 177.43 176.49 3h49 h ALA 285 N 1.32 0.48 -0.65 -0.83 0.00 -0.58 -0.69 119.26 118.30 3h49 h ALA 285 Ca 0.23 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3h49 h ALA 285 Cb 0.19 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3h49 h ALA 285 CO -0.02 0.33 0.19 1.15 0.00 0.00 0.00 179.25 180.90 3h49 h THR 286 N 0.46 1.25 -0.56 0.00 2.02 -0.83 -2.10 112.91 113.15 3h49 h THR 286 Ca 0.09 -0.88 -0.08 0.00 0.77 0.00 0.00 66.41 66.31 3h49 h THR 286 Cb 0.59 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3h49 h THR 286 CO 0.03 0.34 0.02 0.00 0.37 0.00 0.00 175.52 176.28 3h49 h ALA 287 N 1.08 0.98 -0.65 6.16 0.00 -1.16 -2.26 119.26 123.41 3h49 h ALA 287 Ca 0.21 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3h49 h ALA 287 Cb 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3h49 h ALA 287 CO -0.00 0.63 0.32 0.00 0.00 0.00 0.00 179.25 180.19 3h49 h ALA 288 N 1.13 0.83 -0.46 0.00 0.00 -0.77 -2.28 119.26 117.71 3h49 h ALA 288 Ca 0.17 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3h49 h ALA 288 Cb 0.49 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3h49 h ALA 288 CO 0.02 0.39 -0.10 0.82 0.00 0.00 0.00 179.25 180.38 3h49 h ILE 289 N 0.89 1.27 -0.71 0.00 1.08 -1.23 -3.16 117.51 115.65 3h49 h ILE 289 Ca 0.22 -1.22 -0.01 0.00 -0.39 0.00 0.00 64.86 63.46 3h49 h ILE 289 Cb 0.11 1.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 3h49 h ILE 289 CO -0.03 0.42 0.39 0.77 -0.69 0.00 0.00 178.15 179.01 3h49 h SER 290 N 0.72 0.88 1.02 1.72 4.64 -1.17 -2.66 113.55 118.69 3h49 h SER 290 Ca 0.12 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3h49 h SER 290 Cb 0.64 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3h49 h SER 290 CO 0.04 0.71 0.00 -0.37 -0.87 0.00 0.00 176.83 176.34 3h49 h VAL 291 N 1.00 0.00 0.00 0.95 -1.51 -1.38 -2.96 116.25 112.34 3h49 h VAL 291 Ca 0.25 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 3h49 h VAL 291 Cb 0.02 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 3h49 h VAL 291 CO -0.04 0.00 0.00 -0.07 -1.23 0.00 0.00 177.57 176.23 3h49 h LEU 292 N 0.00 0.00 -9.49 4.19 3.38 -1.49 -0.39 115.31 111.52 3h49 h LEU 292 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3h49 h LEU 292 Cb 0.51 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.15 3h49 h LEU 292 CO 0.00 0.00 -0.66 -0.44 0.09 0.00 0.00 178.44 177.43 3h49 s SER 293 N -4.83 4.13 -0.21 -0.43 0.01 -1.12 -4.43 113.70 106.81 3h49 s SER 293 Ca 0.08 -0.91 -0.22 0.00 1.31 0.00 0.00 55.95 56.21 3h49 s SER 293 Cb 0.10 -0.56 -0.02 0.00 0.21 0.00 0.00 66.02 65.76 3h49 s SER 293 CO 0.57 -0.10 0.72 0.68 0.41 0.00 0.00 173.24 175.52 3h49 s VAL 294 N -2.46 4.94 0.00 3.43 -7.23 -1.26 -4.26 120.40 113.56 3h49 s VAL 294 Ca 0.33 1.35 0.00 0.00 -1.81 0.00 0.00 61.98 61.85 3h49 s VAL 294 Cb -0.03 -4.02 0.00 0.00 0.56 0.00 0.00 36.38 32.89 3h49 s VAL 294 CO 0.18 0.03 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 3h49 n GLY 295 N 3.80 2.78 0.17 2.32 0.00 -1.26 -4.56 105.19 108.44 3h49 n GLY 295 Ca 0.02 -1.96 -0.07 0.00 0.00 0.00 0.00 46.02 44.01 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 0.00 0.73 0.00 4.61 0.00 -1.90 -3.36 119.26 119.34 3h49 h ALA 296 Ca 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 3h49 h ALA 296 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3h49 h ALA 296 CO 0.00 0.75 -0.09 0.25 0.00 0.00 0.00 179.25 180.16 3h49 n THR 297 N -3.85 1.78 0.02 0.00 -2.24 -1.26 -4.72 114.28 104.00 3h49 n THR 297 Ca -0.03 -2.20 -0.14 0.00 -2.27 0.00 0.00 64.05 59.42 3h49 n THR 297 Cb 0.66 -0.18 -0.14 0.00 -2.10 0.00 0.00 70.33 68.57 3h49 n THR 297 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3h49 h THR 298 N 0.62 0.99 0.64 4.28 1.35 -1.80 -3.40 112.91 115.58 3h49 h THR 298 Ca -0.00 -2.73 -0.03 0.00 -0.55 0.00 0.00 66.41 63.10 3h49 h THR 298 Cb 1.03 2.59 0.01 0.00 -1.73 0.00 0.00 68.15 70.05 3h49 h THR 298 CO 0.00 0.73 -0.31 1.23 -0.25 0.00 0.00 175.52 176.92 3h49 h GLY 299 N 2.35 -0.90 -7.22 5.82 0.00 -1.81 -3.39 103.07 97.92 3h49 h GLY 299 Ca -0.27 0.33 -0.61 0.00 0.00 0.00 0.00 47.33 46.78 3h49 h GLY 299 CO 0.11 -0.33 1.24 0.14 0.00 0.00 0.00 176.54 177.71 3h49 s VAL 300 N -4.86 4.06 0.05 4.60 1.01 -1.26 -4.82 120.40 119.18 3h49 s VAL 300 Ca -0.15 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.20 3h49 s VAL 300 Cb 0.02 -4.96 -0.24 0.00 0.00 0.00 0.00 36.38 31.20 3h49 s VAL 300 CO 0.47 -1.82 1.03 0.11 0.00 0.00 0.00 175.10 174.90 3h49 h LYS 301 N 9.65 0.09 0.00 2.72 1.57 -1.86 -3.48 116.57 125.27 3h49 h LYS 301 Ca 0.08 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3h49 h LYS 301 Cb 1.02 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.39 3h49 h LYS 301 CO 1.33 0.95 0.00 0.27 -0.57 0.00 0.00 179.45 181.43 3h49 n ASN 302 N -3.34 0.00 0.00 0.86 0.23 -1.26 -4.91 115.26 106.84 3h49 n ASN 302 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.97 3h49 n ASN 302 Cb 1.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.70 3h49 n ASN 302 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 3h49 n ARG 303 N 0.00 0.00 -0.27 -3.83 0.63 -1.26 -3.35 116.66 108.58 3h49 n ARG 303 Ca 0.00 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.04 3h49 n ARG 303 Cb 0.00 0.00 0.36 0.00 0.45 0.00 0.00 32.46 33.27 3h49 n ARG 303 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3h49 h LYS 304 N 0.00 0.70 -0.94 -0.14 1.79 -1.98 0.60 116.57 116.60 3h49 h LYS 304 Ca 0.00 -0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.46 3h49 h LYS 304 Cb 0.00 -0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 30.44 3h49 h LYS 304 CO 0.00 0.47 0.61 -0.07 -1.08 0.00 0.00 179.45 179.38 3h49 h LEU 305 N 0.72 1.01 -0.04 2.94 3.38 -1.98 0.10 115.31 121.45 3h49 h LEU 305 Ca 0.45 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.35 3h49 h LEU 305 Cb 0.68 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3h49 h LEU 305 CO -0.21 0.69 -0.22 0.58 0.09 0.00 0.00 178.44 179.37 3h49 h VAL 306 N 1.18 1.47 0.00 1.22 2.07 -1.27 -3.03 116.25 117.88 3h49 h VAL 306 Ca 0.38 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 66.19 3h49 h VAL 306 Cb 0.01 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 3h49 h VAL 306 CO -0.12 0.48 0.00 -0.33 0.02 0.00 0.00 177.57 177.61 3h49 h GLU 307 N -0.34 0.00 0.00 1.57 5.08 -1.14 0.02 114.58 119.77 3h49 h GLU 307 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3h49 h GLU 307 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3h49 h GLU 307 CO 0.05 0.00 0.00 0.37 -1.00 0.00 0.00 179.01 178.43 3h49 h GLN 308 N 0.00 0.00 -0.02 2.33 -0.00 -0.66 -3.51 115.11 113.25 3h49 h GLN 308 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3h49 h GLN 308 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.76 3h49 h GLN 308 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 178.83 180.11