#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h44 s ASN 44 N 0.00 3.17 0.00 0.53 2.47 -1.26 -5.02 114.94 114.83 3h44 s ASN 44 Ca 0.00 -0.53 0.21 0.00 0.42 0.00 0.00 52.86 52.96 3h44 s ASN 44 Cb 0.00 -1.34 1.26 0.00 -1.45 0.00 0.00 41.25 39.71 3h44 s ASN 44 CO 0.00 0.17 1.72 -0.81 -3.72 0.00 0.00 177.10 174.46 3h44 n PRO 45 N 3.43 0.85 -0.01 0.43 -0.04 -1.26 -2.74 135.00 135.66 3h44 n PRO 45 Ca -0.19 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.41 3h44 n PRO 45 Cb 0.53 -1.39 0.56 0.00 -0.04 0.00 0.00 33.50 33.16 3h44 n PRO 45 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h44 n ALA 46 N -0.89 2.58 -3.62 0.55 0.00 -1.26 -4.77 120.51 113.11 3h44 n ALA 46 Ca 0.16 -0.41 -0.29 0.00 0.00 0.00 0.00 53.44 52.90 3h44 n ALA 46 Cb 0.07 -1.21 -0.13 0.00 0.00 0.00 0.00 19.45 18.18 3h44 n ALA 46 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3h44 s ILE 47 N -1.96 0.68 0.62 0.00 1.01 -1.11 -2.05 121.20 118.39 3h44 s ILE 47 Ca 0.38 -1.77 0.29 0.00 0.00 0.00 0.00 60.65 59.56 3h44 s ILE 47 Cb 0.20 -1.50 0.35 0.00 0.01 0.00 0.00 42.46 41.52 3h44 s ILE 47 CO 0.32 -0.85 1.94 0.50 0.00 0.00 0.00 174.94 176.85 3h44 h LYS 48 N 7.38 0.00 -1.08 2.79 3.64 -0.60 -3.44 116.57 125.26 3h44 h LYS 48 Ca -0.04 0.00 0.21 0.00 -1.27 0.00 0.00 60.65 59.55 3h44 h LYS 48 Cb 0.97 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.49 3h44 h LYS 48 CO 0.40 0.00 0.91 0.50 -2.27 0.00 0.00 179.45 178.99 3h44 s ARG 49 N -4.43 0.07 0.14 1.90 3.52 -0.89 -4.97 118.95 114.30 3h44 s ARG 49 Ca -0.04 0.05 0.07 0.00 -0.13 0.00 0.00 55.73 55.68 3h44 s ARG 49 Cb 0.13 0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.51 3h44 s ARG 49 CO 0.45 -0.02 -0.01 0.42 -0.81 0.00 0.00 175.30 175.33 3h44 s ILE 50 N -0.47 3.75 0.06 4.11 1.01 -1.26 -1.11 121.20 127.29 3h44 s ILE 50 Ca 0.08 -1.29 0.02 0.00 0.00 0.00 0.00 60.65 59.46 3h44 s ILE 50 Cb -0.03 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.56 3h44 s ILE 50 CO -0.12 -0.02 0.06 -0.83 0.00 0.00 0.00 174.94 174.04 3h44 s GLY 51 N -2.68 2.00 -0.11 6.18 0.00 0.35 -4.95 107.32 108.11 3h44 s GLY 51 Ca 0.26 -0.99 -0.04 0.00 0.00 0.00 0.00 44.72 43.95 3h44 s GLY 51 CO 0.18 -0.94 0.09 3.43 0.00 0.00 0.00 173.10 175.86 3h44 h ASN 52 N 3.56 0.00 -4.18 1.64 4.21 -1.97 -3.41 115.58 115.43 3h44 h ASN 52 Ca -0.47 -0.13 -0.28 0.00 1.21 0.00 0.00 56.30 56.63 3h44 h ASN 52 Cb 1.17 0.00 -0.26 0.00 -1.12 0.00 0.00 38.32 38.11 3h44 h ASN 52 CO 0.64 0.58 -0.74 -2.28 -1.29 0.00 0.00 177.43 174.34 3h44 s HIS 53 N -1.67 0.42 -0.34 1.19 5.65 -1.26 -5.11 115.29 114.18 3h44 s HIS 53 Ca -0.03 -0.21 -0.17 0.00 0.25 0.00 0.00 55.06 54.89 3h44 s HIS 53 Cb -0.00 -0.27 -0.01 0.00 -1.18 0.00 0.00 32.58 31.12 3h44 s HIS 53 CO 0.10 -0.04 0.48 0.42 -0.65 0.00 0.00 174.74 175.05 3h44 s ILE 54 N -0.53 5.05 -0.07 0.89 -1.09 -1.26 -4.59 121.20 119.60 3h44 s ILE 54 Ca -0.03 0.33 -0.29 0.00 -2.23 0.00 0.00 60.65 58.43 3h44 s ILE 54 Cb -0.04 -3.92 -0.07 0.00 -1.58 0.00 0.00 42.46 36.84 3h44 s ILE 54 CO -0.00 -0.16 2.08 0.41 -1.23 0.00 0.00 174.94 176.04 3h44 n THR 55 N 5.36 0.60 -4.53 2.92 -1.04 -0.76 -4.94 114.28 111.88 3h44 n THR 55 Ca -0.06 -0.27 -0.25 0.00 -2.04 0.00 0.00 64.05 61.43 3h44 n THR 55 Cb 0.49 -2.42 -0.11 0.00 -1.82 0.00 0.00 70.33 66.47 3h44 n THR 55 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 3h44 s LYS 56 N 5.26 1.78 0.36 -2.82 -2.85 -1.26 -4.30 119.74 115.90 3h44 s LYS 56 Ca 0.94 -1.96 -0.28 0.00 -1.00 0.00 0.00 55.97 53.67 3h44 s LYS 56 Cb -0.40 -1.44 -0.11 0.00 -2.06 0.00 0.00 37.83 33.83 3h44 s LYS 56 CO 0.39 0.00 1.52 0.45 0.10 0.00 0.00 175.35 177.81 3h44 s SER 57 N -3.59 6.34 0.36 0.03 0.15 -1.26 -4.89 113.70 110.83 3h44 s SER 57 Ca 0.33 3.04 0.14 0.00 0.70 0.00 0.00 55.95 60.16 3h44 s SER 57 Cb 0.06 -2.66 0.99 0.00 -1.71 0.00 0.00 66.02 62.70 3h44 s SER 57 CO 0.16 -0.89 1.75 -0.65 1.20 0.00 0.00 173.24 174.80 3h44 h PRO 58 N 3.43 0.48 -0.01 5.44 0.10 -1.89 -1.34 132.00 138.21 3h44 h PRO 58 Ca -0.50 -0.03 0.00 0.00 0.10 0.00 0.00 66.00 65.57 3h44 h PRO 58 Cb 1.23 -0.11 0.00 0.00 0.10 0.00 0.00 31.00 32.23 3h44 h PRO 58 CO 0.68 0.32 -0.02 0.39 0.10 0.00 0.00 178.00 179.47 3h44 n GLU 59 N -4.77 1.18 -2.87 1.05 -0.58 -1.26 -4.86 120.64 108.53 3h44 n GLU 59 Ca 0.26 -0.38 -0.43 0.00 -0.42 0.00 0.00 57.16 56.20 3h44 n GLU 59 Cb 0.81 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 30.15 3h44 n GLU 59 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3h44 s ASP 60 N -2.08 6.59 0.04 1.62 2.15 -0.51 -4.94 116.67 119.54 3h44 s ASP 60 Ca 0.41 0.38 0.27 0.00 0.43 0.00 0.00 52.55 54.04 3h44 s ASP 60 Cb 0.21 -2.43 0.85 0.00 -0.30 0.00 0.00 42.92 41.25 3h44 s ASP 60 CO 0.37 -0.85 1.67 0.29 -0.17 0.00 0.00 175.17 176.49 3h44 n LYS 61 N 6.71 0.06 -1.88 4.34 4.01 -1.26 -4.87 118.16 125.28 3h44 n LYS 61 Ca 0.05 0.03 -0.32 0.00 -0.51 0.00 0.00 58.31 57.56 3h44 n LYS 61 Cb 0.48 -1.56 0.03 0.00 -0.51 0.00 0.00 35.03 33.47 3h44 n LYS 61 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 3h44 s ARG 62 N -3.03 3.09 -0.05 1.97 0.52 -1.26 -4.97 118.95 115.22 3h44 s ARG 62 Ca 0.12 1.21 0.03 0.00 -0.52 0.00 0.00 55.73 56.57 3h44 s ARG 62 Cb 0.17 -2.00 -0.03 0.00 0.52 0.00 0.00 34.95 33.61 3h44 s ARG 62 CO 0.62 -0.99 -0.12 -2.00 0.02 0.00 0.00 175.30 172.82 3h44 s GLU 63 N -4.25 2.55 -0.02 3.54 2.56 -0.26 -4.95 118.70 117.86 3h44 s GLU 63 Ca 0.63 -0.67 0.04 0.00 0.00 0.00 0.00 54.97 54.97 3h44 s GLU 63 Cb -0.17 -2.44 -0.00 0.00 2.00 0.00 0.00 34.13 33.52 3h44 s GLU 63 CO 0.41 0.63 -0.13 0.71 -0.56 0.00 0.00 175.26 176.32 3h44 s TYR 64 N -0.78 1.29 -0.09 5.30 1.51 -1.26 -0.29 117.35 123.03 3h44 s TYR 64 Ca 0.12 -0.31 -0.04 0.00 -1.01 0.00 0.00 57.07 55.84 3h44 s TYR 64 Cb -0.11 -0.87 0.05 0.00 -0.11 0.00 0.00 41.96 40.92 3h44 s TYR 64 CO 0.01 -0.09 0.18 0.50 -1.11 0.00 0.00 175.55 175.05 3h44 s ARG 65 N -0.06 0.08 0.20 -0.62 3.52 -0.83 -4.54 118.95 116.69 3h44 s ARG 65 Ca 0.00 0.55 0.02 0.00 -0.13 0.00 0.00 55.73 56.17 3h44 s ARG 65 Cb -0.08 -0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.07 3h44 s ARG 65 CO 0.01 -0.26 0.35 0.20 -0.81 0.00 0.00 175.30 174.79 3h44 s GLY 66 N 1.98 1.64 0.02 8.12 0.00 -1.26 -0.74 107.32 117.07 3h44 s GLY 66 Ca -0.01 -0.98 -0.25 0.00 0.00 0.00 0.00 44.72 43.48 3h44 s GLY 66 CO -0.06 -0.96 0.57 0.48 0.00 0.00 0.00 173.10 173.13 3h44 s LEU 67 N -3.45 -0.27 -0.28 0.66 -0.00 -0.53 -0.50 118.68 114.31 3h44 s LEU 67 Ca 0.36 0.35 -0.10 0.00 -0.00 0.00 0.00 54.13 54.74 3h44 s LEU 67 Cb -0.11 2.26 -0.03 0.00 -0.00 0.00 0.00 46.19 48.31 3h44 s LEU 67 CO 0.29 -0.69 0.15 -0.70 -0.00 0.00 0.00 176.35 175.41 3h44 s GLU 68 N -2.04 3.69 0.89 1.48 2.12 -0.26 -0.64 118.70 123.94 3h44 s GLU 68 Ca -0.07 -0.48 -0.11 0.00 0.36 0.00 0.00 54.97 54.67 3h44 s GLU 68 Cb -0.01 -3.55 0.13 0.00 0.26 0.00 0.00 34.13 30.96 3h44 s GLU 68 CO 0.02 -0.25 1.10 -0.51 -0.54 0.00 0.00 175.26 175.07 3h44 s LEU 69 N 1.68 2.50 0.24 2.70 1.43 -0.21 -0.06 118.68 126.95 3h44 s LEU 69 Ca 0.06 1.76 -0.07 0.00 -1.03 0.00 0.00 54.13 54.85 3h44 s LEU 69 Cb -0.16 -4.21 0.24 0.00 0.03 0.00 0.00 46.19 42.09 3h44 s LEU 69 CO 0.08 -2.72 1.91 0.00 0.23 0.00 0.00 176.35 175.85 3h44 h ALA 70 N -1.60 1.19 0.00 4.21 0.00 -1.72 -1.70 119.26 119.63 3h44 h ALA 70 Ca -0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3h44 h ALA 70 Cb 1.27 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3h44 h ALA 70 CO 0.50 0.55 0.00 0.27 0.00 0.00 0.00 179.25 180.57 3h44 n ASN 71 N -4.45 0.00 0.00 0.00 0.23 -1.26 -4.86 115.26 104.91 3h44 n ASN 71 Ca 0.11 -1.51 0.00 0.00 -0.53 0.00 0.00 54.58 52.65 3h44 n ASN 71 Cb 0.03 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 3h44 n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h44 n GLY 72 N 0.43 0.87 3.70 4.83 0.00 -0.64 -3.65 105.19 110.73 3h44 n GLY 72 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3h44 n GLY 72 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h44 s ILE 73 N -2.24 2.52 0.26 -0.61 1.01 -1.12 -4.69 121.20 116.33 3h44 s ILE 73 Ca 0.00 0.21 -0.27 0.00 0.00 0.00 0.00 60.65 60.59 3h44 s ILE 73 Cb 0.00 -3.14 -0.09 0.00 0.01 0.00 0.00 42.46 39.24 3h44 s ILE 73 CO 0.00 0.01 0.89 -0.54 0.00 0.00 0.00 174.94 175.30 3h44 s LYS 74 N 1.97 4.65 0.02 2.79 3.01 -0.89 -1.05 119.74 130.23 3h44 s LYS 74 Ca 0.76 1.31 0.02 0.00 -1.01 0.00 0.00 55.97 57.05 3h44 s LYS 74 Cb -0.45 -3.06 -0.01 0.00 -1.01 0.00 0.00 37.83 33.30 3h44 s LYS 74 CO 0.33 0.43 -0.08 0.08 0.51 0.00 0.00 175.35 176.62 3h44 s VAL 75 N -1.37 0.57 -0.05 3.17 1.01 0.19 0.25 120.40 124.17 3h44 s VAL 75 Ca 0.44 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.83 3h44 s VAL 75 Cb -0.22 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.61 3h44 s VAL 75 CO 0.27 -0.06 -0.18 -0.22 0.00 0.00 0.00 175.10 174.92 3h44 s LEU 76 N -0.75 1.91 -0.07 3.92 0.20 0.19 -1.45 118.68 122.62 3h44 s LEU 76 Ca -0.02 -0.37 0.04 0.00 0.69 0.00 0.00 54.13 54.47 3h44 s LEU 76 Cb -0.06 -1.01 -0.02 0.00 -0.43 0.00 0.00 46.19 44.68 3h44 s LEU 76 CO 0.00 0.15 -0.19 -0.76 -0.29 0.00 0.00 176.35 175.26 3h44 s LEU 77 N 0.11 2.45 -0.17 -0.68 1.43 0.08 -1.94 118.68 119.96 3h44 s LEU 77 Ca -0.06 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3h44 s LEU 77 Cb -0.12 -1.49 0.03 0.00 0.03 0.00 0.00 46.19 44.64 3h44 s LEU 77 CO 0.03 0.27 -0.12 -0.63 0.23 0.00 0.00 176.35 176.13 3h44 s ILE 78 N -0.32 1.56 -0.36 -0.59 1.01 0.07 -1.96 121.20 120.61 3h44 s ILE 78 Ca 0.02 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 59.81 3h44 s ILE 78 Cb -0.13 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.82 3h44 s ILE 78 CO 0.02 0.35 0.21 -0.55 0.00 0.00 0.00 174.94 174.97 3h44 s SER 79 N 1.47 5.75 -0.46 3.58 0.15 0.60 -2.12 113.70 122.67 3h44 s SER 79 Ca 0.03 -0.86 0.03 0.00 0.70 0.00 0.00 55.95 55.85 3h44 s SER 79 Cb -0.14 -2.04 0.12 0.00 -1.71 0.00 0.00 66.02 62.25 3h44 s SER 79 CO -0.10 -0.35 0.21 -0.62 1.20 0.00 0.00 173.24 173.58 3h44 s ASP 80 N 1.59 4.27 0.54 5.45 -1.08 -0.43 -1.10 116.67 125.91 3h44 s ASP 80 Ca 0.03 -2.72 0.38 0.00 -0.52 0.00 0.00 52.55 49.72 3h44 s ASP 80 Cb -0.19 -1.50 1.57 0.00 -1.46 0.00 0.00 42.92 41.35 3h44 s ASP 80 CO 0.07 -0.27 1.78 -0.65 0.52 0.00 0.00 175.17 176.61 3h44 h PRO 81 N 6.82 0.01 -0.40 4.34 0.11 -1.78 -2.26 132.00 138.83 3h44 h PRO 81 Ca -0.06 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 3h44 h PRO 81 Cb 0.93 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.99 3h44 h PRO 81 CO 0.61 0.00 0.05 0.25 -0.21 0.00 0.00 178.00 178.70 3h44 n THR 82 N -4.16 2.52 -2.70 -1.15 -2.24 -1.26 -4.75 114.28 100.54 3h44 n THR 82 Ca 0.28 -1.93 -0.42 0.00 -2.27 0.00 0.00 64.05 59.71 3h44 n THR 82 Cb 1.33 -0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 69.24 3h44 n THR 82 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3h44 s THR 83 N -2.93 4.67 -2.75 4.28 -1.32 -0.85 -4.95 115.64 111.78 3h44 s THR 83 Ca 0.46 2.03 0.25 0.00 -1.21 0.00 0.00 61.69 63.23 3h44 s THR 83 Cb 0.38 -4.30 0.30 0.00 -1.51 0.00 0.00 72.50 67.37 3h44 s THR 83 CO 0.09 0.22 1.42 -0.90 -2.21 0.00 0.00 174.62 173.24 3h44 n ASP 84 N 3.43 2.40 -4.14 8.08 3.85 -1.26 -4.70 116.55 124.21 3h44 n ASP 84 Ca 0.05 -1.78 -0.30 0.00 -0.71 0.00 0.00 54.79 52.04 3h44 n ASP 84 Cb 0.50 0.03 -0.17 0.00 -1.35 0.00 0.00 41.12 40.13 3h44 n ASP 84 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3h44 s LYS 85 N -2.04 2.66 0.24 0.11 -0.14 -1.26 -3.20 119.74 116.11 3h44 s LYS 85 Ca 0.31 -0.73 0.03 0.00 -1.36 0.00 0.00 55.97 54.21 3h44 s LYS 85 Cb 0.20 -2.10 -0.03 0.00 -1.68 0.00 0.00 37.83 34.22 3h44 s LYS 85 CO 0.33 0.06 0.38 -1.12 -0.76 0.00 0.00 175.35 174.25 3h44 s SER 86 N 0.62 6.33 0.15 2.83 0.01 0.42 -4.84 113.70 119.21 3h44 s SER 86 Ca -0.13 0.19 -0.18 0.00 1.31 0.00 0.00 55.95 57.14 3h44 s SER 86 Cb -0.16 -1.91 0.04 0.00 0.21 0.00 0.00 66.02 64.19 3h44 s SER 86 CO 0.04 -0.09 0.47 -0.94 0.41 0.00 0.00 173.24 173.14 3h44 s SER 87 N -3.77 -0.31 0.05 2.44 1.04 -0.12 -1.45 113.70 111.58 3h44 s SER 87 Ca 0.36 -0.29 -0.04 0.00 0.48 0.00 0.00 55.95 56.45 3h44 s SER 87 Cb -0.10 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 3h44 s SER 87 CO 0.30 -0.93 0.06 0.00 0.98 0.00 0.00 173.24 173.66 3h44 s ALA 88 N -3.81 0.08 0.07 5.32 0.00 -1.07 -0.43 121.76 121.92 3h44 s ALA 88 Ca 0.04 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3h44 s ALA 88 Cb 0.01 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 3h44 s ALA 88 CO -0.10 -0.35 -0.05 0.00 0.00 0.00 0.00 175.76 175.27 3h44 s ALA 89 N -3.05 0.68 -0.01 0.00 0.00 -0.27 -1.76 121.76 117.35 3h44 s ALA 89 Ca -0.01 -1.20 0.02 0.00 0.00 0.00 0.00 51.96 50.77 3h44 s ALA 89 Cb 0.01 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.33 3h44 s ALA 89 CO -0.07 -0.28 -0.08 -1.17 0.00 0.00 0.00 175.76 174.17 3h44 s LEU 90 N -2.79 1.93 -0.16 0.00 0.20 -0.43 -1.47 118.68 115.97 3h44 s LEU 90 Ca 0.06 -0.15 0.01 0.00 0.69 0.00 0.00 54.13 54.74 3h44 s LEU 90 Cb 0.05 -0.43 0.02 0.00 -0.43 0.00 0.00 46.19 45.40 3h44 s LEU 90 CO -0.07 0.08 -0.17 -0.62 -0.29 0.00 0.00 176.35 175.28 3h44 s ASP 91 N -0.05 2.91 -0.18 3.68 2.15 -0.51 -0.93 116.67 123.73 3h44 s ASP 91 Ca 0.01 -0.57 -0.16 0.00 0.43 0.00 0.00 52.55 52.26 3h44 s ASP 91 Cb -0.05 -1.33 -0.04 0.00 -0.30 0.00 0.00 42.92 41.20 3h44 s ASP 91 CO -0.00 -0.02 0.39 -0.69 -0.17 0.00 0.00 175.17 174.67 3h44 s VAL 92 N 1.36 5.22 -0.15 1.11 1.01 0.15 -1.88 120.40 127.21 3h44 s VAL 92 Ca 0.04 0.71 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 3h44 s VAL 92 Cb -0.13 -3.72 -0.20 0.00 0.00 0.00 0.00 36.38 32.32 3h44 s VAL 92 CO -0.11 0.29 2.99 1.57 0.00 0.00 0.00 175.10 179.84 3h44 n HIS 93 N 4.14 0.23 -3.91 5.22 -0.00 0.52 -1.13 115.22 120.29 3h44 n HIS 93 Ca -0.09 -1.38 -0.10 0.00 0.46 0.00 0.00 57.72 56.61 3h44 n HIS 93 Cb 0.51 -1.46 -0.11 0.00 -0.12 0.00 0.00 29.99 28.81 3h44 n HIS 93 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3h44 s ILE 94 N 1.53 0.08 0.00 3.57 -1.09 -0.91 -4.80 121.20 119.59 3h44 s ILE 94 Ca 0.55 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 58.30 3h44 s ILE 94 Cb 0.25 -0.31 0.00 0.00 -1.58 0.00 0.00 42.46 40.81 3h44 s ILE 94 CO -0.01 -0.37 0.00 0.61 -1.23 0.00 0.00 174.94 173.95 3h44 n GLY 95 N 1.77 2.40 0.26 6.18 0.00 -1.22 -1.91 105.19 112.67 3h44 n GLY 95 Ca -0.22 -0.90 0.17 0.00 0.00 0.00 0.00 46.02 45.08 3h44 n GLY 95 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h44 h SER 96 N 0.00 0.00 -0.03 1.61 4.64 -1.07 0.25 113.55 118.95 3h44 h SER 96 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3h44 h SER 96 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3h44 h SER 96 CO 0.00 0.00 0.18 -0.07 -0.87 0.00 0.00 176.83 176.07 3h44 h LEU 97 N 0.00 0.00 -2.41 5.97 4.07 -1.51 0.65 115.31 122.07 3h44 h LEU 97 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3h44 h LEU 97 Cb 0.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.12 3h44 h LEU 97 CO 0.00 0.00 0.00 -1.20 -1.08 0.00 0.00 178.44 176.16 3h44 n SER 98 N -3.11 3.51 -4.76 -0.43 7.64 0.88 -4.89 113.62 112.45 3h44 n SER 98 Ca -0.02 -2.00 -0.41 0.00 1.01 0.00 0.00 58.87 57.45 3h44 n SER 98 Cb 0.25 -0.44 -0.02 0.00 -1.01 0.00 0.00 64.21 63.00 3h44 n SER 98 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3h44 s ASP 99 N -1.00 6.62 0.08 6.43 -0.00 0.22 -4.90 116.67 124.11 3h44 s ASP 99 Ca 0.44 2.78 -0.35 0.00 -0.00 0.00 0.00 52.55 55.41 3h44 s ASP 99 Cb 0.23 -2.64 -0.15 0.00 -0.00 0.00 0.00 42.92 40.36 3h44 s ASP 99 CO 0.30 -0.68 1.54 -2.65 -0.00 0.00 0.00 175.17 173.67 3h44 n PRO 100 N 1.26 1.73 -0.43 8.23 -0.02 -1.26 -4.81 135.00 139.71 3h44 n PRO 100 Ca 0.03 0.63 0.39 0.00 -2.02 0.00 0.00 63.50 62.53 3h44 n PRO 100 Cb 0.40 -2.35 0.62 0.00 -0.02 0.00 0.00 33.50 32.15 3h44 n PRO 100 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h44 h PRO 101 N 5.85 0.00 -0.05 0.52 0.11 -1.98 -0.92 132.00 135.53 3h44 h PRO 101 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3h44 h PRO 101 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3h44 h PRO 101 CO 0.86 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.92 3h44 n ASN 102 N -3.58 1.88 -3.72 -2.05 2.04 -1.26 -4.61 115.26 103.95 3h44 n ASN 102 Ca 0.32 -1.46 -0.29 0.00 -0.44 0.00 0.00 54.58 52.72 3h44 n ASN 102 Cb 1.72 -0.03 -0.12 0.00 -2.53 0.00 0.00 39.78 38.82 3h44 n ASN 102 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 3h44 s ILE 103 N -0.77 1.71 0.17 1.53 -1.09 -0.35 -4.88 121.20 117.52 3h44 s ILE 103 Ca 0.11 -3.12 -0.31 0.00 -2.23 0.00 0.00 60.65 55.10 3h44 s ILE 103 Cb 0.08 -2.17 -0.09 0.00 -1.58 0.00 0.00 42.46 38.70 3h44 s ILE 103 CO 0.11 -0.99 1.45 0.00 -1.23 0.00 0.00 174.94 174.29 3h44 s ALA 104 N -0.27 3.66 0.00 9.38 0.00 -1.25 -3.29 121.76 129.98 3h44 s ALA 104 Ca 0.23 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.43 3h44 s ALA 104 Cb -0.13 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3h44 s ALA 104 CO -0.08 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.40 3h44 n GLY 105 N 3.24 0.73 0.12 0.00 0.00 -1.22 -4.39 105.19 103.66 3h44 n GLY 105 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 3h44 n GLY 105 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3h44 h LEU 106 N 0.00 -0.23 -0.97 0.99 5.85 -1.83 -1.01 115.31 118.11 3h44 h LEU 106 Ca 0.00 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 3h44 h LEU 106 Cb 0.00 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3h44 h LEU 106 CO 0.00 -0.11 -0.10 0.77 -0.34 0.00 0.00 178.44 178.66 3h44 h SER 107 N -0.10 0.62 -0.15 1.25 4.64 -1.90 0.25 113.55 118.17 3h44 h SER 107 Ca 0.06 -0.17 0.02 0.00 -0.47 0.00 0.00 61.79 61.23 3h44 h SER 107 Cb 0.18 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 3h44 h SER 107 CO -0.13 0.76 0.00 -0.74 -0.87 0.00 0.00 176.83 175.85 3h44 h HIS 108 N 0.58 -0.00 -0.65 4.77 -0.00 -1.73 -1.65 115.15 116.47 3h44 h HIS 108 Ca 0.11 0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.51 3h44 h HIS 108 Cb 0.52 0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.92 3h44 h HIS 108 CO 0.02 -0.02 0.41 0.35 -0.00 0.00 0.00 177.93 178.70 3h44 h PHE 109 N 0.05 0.77 -0.23 5.26 3.57 -0.73 -1.33 116.94 124.31 3h44 h PHE 109 Ca 0.07 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.62 3h44 h PHE 109 Cb 0.08 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 3h44 h PHE 109 CO -0.15 0.45 0.02 1.25 -2.23 0.00 0.00 178.31 177.66 3h44 h LEU 110 N 0.81 -0.04 -0.75 0.59 6.46 -0.40 -0.82 115.31 121.16 3h44 h LEU 110 Ca 0.26 0.04 0.13 0.00 -0.12 0.00 0.00 57.88 58.19 3h44 h LEU 110 Cb -0.01 0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 39.90 3h44 h LEU 110 CO -0.09 0.01 0.32 -0.61 -0.62 0.00 0.00 178.44 177.45 3h44 h GLN 111 N 0.10 0.48 -0.59 1.25 4.15 -0.81 -0.00 115.11 119.69 3h44 h GLN 111 Ca 0.11 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 3h44 h GLN 111 Cb 0.12 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.67 3h44 h GLN 111 CO -0.16 0.32 0.36 0.45 -1.93 0.00 0.00 178.83 177.87 3h44 h HIS 112 N 0.49 0.76 -0.38 3.99 3.86 -0.52 -3.28 115.15 120.07 3h44 h HIS 112 Ca 0.40 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.50 3h44 h HIS 112 Cb 0.56 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 3h44 h HIS 112 CO -0.15 0.51 -0.21 0.52 0.86 0.00 0.00 177.93 179.46 3h44 h MET 113 N 0.79 0.74 0.00 2.45 2.86 0.36 -3.10 114.93 119.04 3h44 h MET 113 Ca 0.21 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3h44 h MET 113 Cb -0.04 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.58 3h44 h MET 113 CO -0.04 0.89 0.02 1.28 1.06 0.00 0.00 176.91 180.13 3h44 n LEU 114 N -4.12 0.43 0.14 1.22 4.77 -0.39 -0.40 117.00 118.64 3h44 n LEU 114 Ca 0.00 0.69 0.02 0.00 -0.03 0.00 0.00 56.01 56.69 3h44 n LEU 114 Cb 0.42 -0.74 0.04 0.00 -2.33 0.00 0.00 43.42 40.82 3h44 n LEU 114 CO 0.44 -0.84 0.45 -0.26 -1.33 0.00 0.00 177.39 175.86 3h44 h PHE 115 N 0.00 0.00 -0.52 -1.77 -1.00 -1.73 -3.38 116.94 108.54 3h44 h PHE 115 Ca 0.00 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.57 3h44 h PHE 115 Cb 0.05 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 39.48 3h44 h PHE 115 CO 0.00 0.55 0.26 1.28 -1.61 0.00 0.00 178.31 178.79 3h44 n LEU 116 N -3.27 4.80 0.00 1.54 4.77 0.47 -4.73 117.00 120.57 3h44 n LEU 116 Ca 0.01 -2.50 0.00 0.00 -0.03 0.00 0.00 56.01 53.49 3h44 n LEU 116 Cb 0.74 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3h44 n LEU 116 CO 0.41 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 3h44 n GLY 117 N -0.20 3.90 2.70 -0.72 0.00 -1.24 -4.50 105.19 105.13 3h44 n GLY 117 Ca 0.30 -1.44 -0.20 0.00 0.00 0.00 0.00 46.02 44.68 3h44 n GLY 117 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h44 n THR 118 N -0.80 0.00 0.03 2.61 -2.24 -0.88 0.19 114.28 113.19 3h44 n THR 118 Ca 0.00 -1.92 -0.13 0.00 -2.27 0.00 0.00 64.05 59.74 3h44 n THR 118 Cb 0.00 0.70 -0.08 0.00 -2.10 0.00 0.00 70.33 68.85 3h44 n THR 118 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3h44 h LYS 119 N 0.00 -0.03 0.00 -0.78 1.63 -1.15 -2.16 116.57 114.08 3h44 h LYS 119 Ca -0.25 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 3h44 h LYS 119 Cb 0.98 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 3h44 h LYS 119 CO 0.40 0.15 -0.61 0.36 -3.45 0.00 0.00 179.45 176.30 3h44 n LYS 120 N -5.02 0.12 -3.26 1.90 2.85 -1.26 -4.25 118.16 109.24 3h44 n LYS 120 Ca -0.08 0.03 -0.26 0.00 -1.05 0.00 0.00 58.31 56.95 3h44 n LYS 120 Cb 0.12 -1.57 -0.07 0.00 -0.65 0.00 0.00 35.03 32.87 3h44 n LYS 120 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3h44 n TYR 121 N -1.74 2.84 0.87 5.58 4.02 -1.17 -4.91 117.16 122.65 3h44 n TYR 121 Ca 0.04 -4.00 0.11 0.00 -0.01 0.00 0.00 57.90 54.04 3h44 n TYR 121 Cb 0.38 -0.50 0.51 0.00 -0.02 0.00 0.00 39.34 39.71 3h44 n TYR 121 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3h44 n PRO 122 N 0.66 0.11 -2.01 -0.72 -0.04 -0.82 -2.07 135.00 130.10 3h44 n PRO 122 Ca 0.28 0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 63.42 3h44 n PRO 122 Cb 0.44 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 3h44 n PRO 122 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3h44 s LYS 123 N -2.86 3.79 0.30 0.54 2.20 -1.26 -4.72 119.74 117.73 3h44 s LYS 123 Ca 0.14 1.84 0.06 0.00 -0.36 0.00 0.00 55.97 57.65 3h44 s LYS 123 Cb 0.15 -4.08 0.82 0.00 -1.51 0.00 0.00 37.83 33.21 3h44 s LYS 123 CO 0.39 -1.31 1.69 1.49 -0.36 0.00 0.00 175.35 177.25 3h44 h GLU 124 N 11.05 0.37 -0.21 4.03 4.81 -1.83 0.07 114.58 132.88 3h44 h GLU 124 Ca -0.36 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3h44 h GLU 124 Cb 1.17 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3h44 h GLU 124 CO 0.99 0.25 0.00 0.27 -0.73 0.00 0.00 179.01 179.78 3h44 n ASN 125 N -5.05 3.56 -0.24 1.04 2.04 -1.26 -3.71 115.26 111.64 3h44 n ASN 125 Ca 0.25 -3.00 0.04 0.00 -0.44 0.00 0.00 54.58 51.43 3h44 n ASN 125 Cb 0.74 -0.51 0.17 0.00 -2.53 0.00 0.00 39.78 37.64 3h44 n ASN 125 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3h44 h GLU 126 N 1.46 0.36 0.80 -3.83 4.57 -1.29 0.24 114.58 116.88 3h44 h GLU 126 Ca 0.00 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 3h44 h GLU 126 Cb 1.34 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.85 3h44 h GLU 126 CO 0.17 0.24 -0.40 -0.92 -1.18 0.00 0.00 179.01 176.92 3h44 h TYR 127 N 0.37 -1.04 0.00 0.92 5.03 -1.83 0.27 116.97 120.69 3h44 h TYR 127 Ca 0.39 -0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.59 3h44 h TYR 127 Cb 0.61 0.35 -0.01 0.00 1.55 0.00 0.00 36.73 39.22 3h44 h TYR 127 CO -0.20 -0.64 -0.43 0.66 -1.32 0.00 0.00 178.16 176.23 3h44 h SER 128 N -1.10 0.00 -0.50 -2.11 4.64 -1.85 -2.17 113.55 110.47 3h44 h SER 128 Ca -0.11 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.11 3h44 h SER 128 Cb 0.85 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 3h44 h SER 128 CO 0.17 0.43 -0.09 -0.61 -0.87 0.00 0.00 176.83 175.86 3h44 h GLN 129 N 0.00 0.94 0.40 4.77 4.15 -0.55 -2.33 115.11 122.48 3h44 h GLN 129 Ca -0.00 -0.34 -0.01 0.00 0.77 0.00 0.00 58.65 59.07 3h44 h GLN 129 Cb 0.76 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 3h44 h GLN 129 CO 0.06 1.00 -0.35 0.35 -1.93 0.00 0.00 178.83 177.95 3h44 h PHE 130 N 0.79 -0.95 -0.50 3.99 3.57 -0.45 -1.95 116.94 121.44 3h44 h PHE 130 Ca 0.13 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.66 3h44 h PHE 130 Cb 0.64 0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 3h44 h PHE 130 CO 0.05 -0.51 0.33 -0.07 -2.23 0.00 0.00 178.31 175.88 3h44 h LEU 131 N -0.76 0.49 -0.29 0.59 3.38 -1.43 -1.48 115.31 115.82 3h44 h LEU 131 Ca -0.03 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3h44 h LEU 131 Cb 0.67 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3h44 h LEU 131 CO -0.04 0.34 0.17 -1.28 0.09 0.00 0.00 178.44 177.73 3h44 h SER 132 N 0.57 0.35 0.91 -0.43 0.87 -1.09 0.51 113.55 115.25 3h44 h SER 132 Ca 0.20 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3h44 h SER 132 Cb 0.08 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 3h44 h SER 132 CO -0.05 0.30 0.00 -0.33 -0.53 0.00 0.00 176.83 176.22 3h44 h GLU 133 N 0.37 0.00 0.00 2.24 5.08 -0.52 -3.25 114.58 118.50 3h44 h GLU 133 Ca 0.10 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 3h44 h GLU 133 Cb 0.02 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.19 3h44 h GLU 133 CO -0.02 0.00 -0.55 0.72 -1.00 0.00 0.00 179.01 178.16 3h44 n HIS 134 N -2.49 0.00 -1.34 4.33 8.25 -0.81 -4.46 115.22 118.69 3h44 n HIS 134 Ca 0.02 -1.21 -0.12 0.00 -0.26 0.00 0.00 57.72 56.16 3h44 n HIS 134 Cb 0.28 -0.21 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 3h44 n HIS 134 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h44 n ALA 135 N -0.80 -0.18 -2.00 -1.41 0.00 -0.81 -1.59 120.51 113.72 3h44 n ALA 135 Ca 0.16 0.19 -0.19 0.00 0.00 0.00 0.00 53.44 53.60 3h44 n ALA 135 Cb 0.77 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.83 3h44 n ALA 135 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3h44 s GLY 136 N -2.78 1.87 0.12 0.00 0.00 0.17 -4.27 107.32 102.43 3h44 s GLY 136 Ca 0.00 -1.67 -0.06 0.00 0.00 0.00 0.00 44.72 42.99 3h44 s GLY 136 CO 0.00 -1.38 0.17 -1.35 0.00 0.00 0.00 173.10 170.54 3h44 s SER 137 N -4.45 0.18 0.07 1.64 1.04 -0.18 -4.28 113.70 107.72 3h44 s SER 137 Ca 0.58 -0.87 -0.10 0.00 0.48 0.00 0.00 55.95 56.03 3h44 s SER 137 Cb -0.09 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.38 3h44 s SER 137 CO 0.36 -0.77 0.22 -0.55 0.98 0.00 0.00 173.24 173.49 3h44 s SER 138 N -2.94 0.03 0.08 7.02 0.15 -1.26 -1.09 113.70 115.69 3h44 s SER 138 Ca 0.13 -0.46 -0.26 0.00 0.70 0.00 0.00 55.95 56.06 3h44 s SER 138 Cb 0.05 0.33 0.09 0.00 -1.71 0.00 0.00 66.02 64.79 3h44 s SER 138 CO -0.05 -0.66 1.16 0.21 1.20 0.00 0.00 173.24 175.10 3h44 s ASN 139 N -2.46 -0.02 0.12 5.45 3.84 -0.66 -5.01 114.94 116.20 3h44 s ASN 139 Ca -0.00 -0.40 -0.23 0.00 0.21 0.00 0.00 52.86 52.44 3h44 s ASN 139 Cb 0.02 0.32 0.06 0.00 -0.55 0.00 0.00 41.25 41.10 3h44 s ASN 139 CO -0.07 -0.63 0.58 0.00 -2.79 0.00 0.00 177.10 174.18 3h44 s ALA 140 N -2.24 -1.51 0.04 1.71 0.00 -1.26 -1.48 121.76 117.01 3h44 s ALA 140 Ca 0.23 0.53 -0.04 0.00 0.00 0.00 0.00 51.96 52.67 3h44 s ALA 140 Cb -0.01 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 3h44 s ALA 140 CO 0.02 -0.69 0.07 -0.59 0.00 0.00 0.00 175.76 174.57 3h44 s PHE 141 N -3.36 0.24 -0.20 0.00 -0.71 -0.69 -5.01 117.98 108.25 3h44 s PHE 141 Ca -0.01 -0.57 0.01 0.00 -1.04 0.00 0.00 56.93 55.33 3h44 s PHE 141 Cb -0.01 -0.17 0.04 0.00 -1.21 0.00 0.00 43.02 41.67 3h44 s PHE 141 CO -0.09 -0.35 -0.12 0.99 -1.34 0.00 0.00 175.22 174.31 3h44 s THR 142 N -2.62 1.73 0.00 -4.49 2.01 -1.26 -1.55 115.64 109.46 3h44 s THR 142 Ca -0.05 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 60.94 3h44 s THR 142 Cb -0.01 -1.76 0.00 0.00 0.01 0.00 0.00 72.50 70.74 3h44 s THR 142 CO -0.05 0.23 0.00 -1.54 -0.69 0.00 0.00 174.62 172.57 3h44 n SER 143 N 4.66 0.80 -0.12 3.53 3.41 0.37 -4.89 113.62 121.39 3h44 n SER 143 Ca -0.16 -0.61 -0.07 0.00 -0.26 0.00 0.00 58.87 57.77 3h44 n SER 143 Cb 0.47 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.43 3h44 n SER 143 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3h44 h GLY 144 N 0.00 0.52 0.00 5.00 0.00 -1.92 -1.97 103.07 104.70 3h44 h GLY 144 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3h44 h GLY 144 CO 0.00 0.11 0.00 1.18 0.00 0.00 0.00 176.54 177.83 3h44 n GLU 145 N -4.92 2.23 -3.84 4.80 1.02 -1.26 -1.58 120.64 117.09 3h44 n GLU 145 Ca 0.01 -1.25 -0.12 0.00 -0.02 0.00 0.00 57.16 55.79 3h44 n GLU 145 Cb 0.09 -0.88 -0.12 0.00 -0.02 0.00 0.00 31.44 30.51 3h44 n GLU 145 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3h44 s HIS 146 N -0.75 -0.08 -0.07 -0.32 3.76 -1.13 -2.14 115.29 114.56 3h44 s HIS 146 Ca 0.00 0.19 -0.01 0.00 -0.15 0.00 0.00 55.06 55.09 3h44 s HIS 146 Cb 0.00 0.01 0.03 0.00 1.11 0.00 0.00 32.58 33.73 3h44 s HIS 146 CO 0.00 -0.15 -0.01 0.99 -0.85 0.00 0.00 174.74 174.71 3h44 s THR 147 N -0.47 0.46 -0.08 1.30 2.01 -0.29 -0.48 115.64 118.10 3h44 s THR 147 Ca -0.06 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.03 3h44 s THR 147 Cb -0.04 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 71.89 3h44 s THR 147 CO 0.01 0.27 -0.19 0.21 -0.69 0.00 0.00 174.62 174.23 3h44 s ASN 148 N 1.84 2.50 -0.03 3.53 2.47 -0.60 0.31 114.94 124.97 3h44 s ASN 148 Ca 0.03 -0.44 0.04 0.00 0.42 0.00 0.00 52.86 52.91 3h44 s ASN 148 Cb -0.12 -1.10 -0.00 0.00 -1.45 0.00 0.00 41.25 38.58 3h44 s ASN 148 CO -0.05 0.11 -0.14 -0.31 -3.72 0.00 0.00 177.10 172.99 3h44 s TYR 149 N 0.42 1.36 0.02 0.43 1.51 -0.11 -1.70 117.35 119.28 3h44 s TYR 149 Ca -0.16 -0.34 -0.16 0.00 -1.01 0.00 0.00 57.07 55.41 3h44 s TYR 149 Cb -0.16 -0.92 0.03 0.00 -0.11 0.00 0.00 41.96 40.80 3h44 s TYR 149 CO 0.06 -0.10 0.35 1.52 -1.11 0.00 0.00 175.55 176.28 3h44 s TYR 150 N -0.04 -0.20 0.13 2.71 -0.85 -0.55 -1.32 117.35 117.22 3h44 s TYR 150 Ca -0.00 0.21 -0.06 0.00 -0.52 0.00 0.00 57.07 56.70 3h44 s TYR 150 Cb -0.09 0.14 -0.02 0.00 0.38 0.00 0.00 41.96 42.38 3h44 s TYR 150 CO 0.01 -0.48 0.18 -0.59 -1.52 0.00 0.00 175.55 173.15 3h44 s PHE 151 N -1.97 0.46 0.23 -3.49 -0.12 -0.72 -1.65 117.98 110.72 3h44 s PHE 151 Ca -0.09 -0.86 0.05 0.00 -0.05 0.00 0.00 56.93 55.98 3h44 s PHE 151 Cb -0.02 -0.19 -0.05 0.00 -0.63 0.00 0.00 43.02 42.12 3h44 s PHE 151 CO 0.01 -0.60 -0.03 0.16 -0.05 0.00 0.00 175.22 174.71 3h44 s ASP 152 N -2.96 2.09 -0.06 1.98 3.84 -0.25 -2.58 116.67 118.73 3h44 s ASP 152 Ca 0.15 -1.19 -0.30 0.00 -0.00 0.00 0.00 52.55 51.22 3h44 s ASP 152 Cb 0.05 -0.04 0.10 0.00 -1.38 0.00 0.00 42.92 41.64 3h44 s ASP 152 CO -0.03 -0.44 0.82 0.54 -0.00 0.00 0.00 175.17 176.05 3h44 s VAL 153 N -3.29 0.00 -0.09 2.11 0.11 -0.52 -1.01 120.40 117.70 3h44 s VAL 153 Ca 0.27 0.00 -0.40 0.00 -2.93 0.00 0.00 61.98 58.93 3h44 s VAL 153 Cb 0.05 -1.00 -0.18 0.00 -1.53 0.00 0.00 36.38 33.72 3h44 s VAL 153 CO 0.09 0.00 1.41 -0.24 -3.33 0.00 0.00 175.10 173.03 3h44 n SER 154 N 0.55 1.40 0.02 3.54 2.88 -0.62 -0.44 113.62 120.96 3h44 n SER 154 Ca -0.14 1.13 0.22 0.00 -1.33 0.00 0.00 58.87 58.74 3h44 n SER 154 Cb 0.59 -1.08 0.73 0.00 -0.75 0.00 0.00 64.21 63.70 3h44 n SER 154 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 3h44 h HIS 155 N 4.91 0.00 -0.02 0.66 2.07 -1.85 0.23 115.15 121.16 3h44 h HIS 155 Ca -0.48 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 56.87 3h44 h HIS 155 Cb 1.36 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.32 3h44 h HIS 155 CO 0.64 0.00 -0.78 1.05 -3.07 0.00 0.00 177.93 175.77 3h44 h GLU 156 N 0.00 0.17 -0.92 5.12 9.09 -1.92 -3.23 114.58 122.89 3h44 h GLU 156 Ca 0.25 -0.16 -0.07 0.00 0.05 0.00 0.00 59.36 59.42 3h44 h GLU 156 Cb 1.14 0.04 -0.04 0.00 -1.65 0.00 0.00 28.75 28.24 3h44 h GLU 156 CO -0.00 0.87 0.09 0.72 0.05 0.00 0.00 179.01 180.74 3h44 n HIS 157 N -3.72 0.83 0.45 2.06 8.25 0.07 -4.29 115.22 118.87 3h44 n HIS 157 Ca -0.03 -0.54 -0.17 0.00 -0.26 0.00 0.00 57.72 56.71 3h44 n HIS 157 Cb 0.74 -0.34 -0.08 0.00 1.12 0.00 0.00 29.99 31.42 3h44 n HIS 157 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3h44 h LEU 158 N 1.18 -0.96 -0.90 2.41 6.46 -1.63 -2.44 115.31 119.43 3h44 h LEU 158 Ca 0.09 0.03 0.23 0.00 -0.12 0.00 0.00 57.88 58.11 3h44 h LEU 158 Cb 1.26 0.25 -0.16 0.00 -0.73 0.00 0.00 40.66 41.28 3h44 h LEU 158 CO 0.25 -0.68 -0.00 -0.08 -0.62 0.00 0.00 178.44 177.31 3h44 h GLU 159 N -1.15 0.05 0.07 1.25 4.57 -1.88 0.28 114.58 117.76 3h44 h GLU 159 Ca -0.12 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3h44 h GLU 159 Cb 0.87 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3h44 h GLU 159 CO 0.19 0.03 -0.03 0.78 -1.18 0.00 0.00 179.01 178.80 3h44 h GLY 160 N 0.05 -0.10 0.96 1.92 0.00 -1.86 -2.05 103.07 101.98 3h44 h GLY 160 Ca 0.52 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.87 3h44 h GLY 160 CO -0.83 -0.04 0.19 0.00 0.00 0.00 0.00 176.54 175.86 3h44 h ALA 161 N 0.41 0.54 -0.41 3.60 0.00 -0.86 -2.92 119.26 119.62 3h44 h ALA 161 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3h44 h ALA 161 Cb 0.42 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3h44 h ALA 161 CO 0.02 0.11 0.16 1.25 0.00 0.00 0.00 179.25 180.79 3h44 h LEU 162 N 0.54 0.53 0.50 0.00 5.85 -0.48 -2.14 115.31 120.10 3h44 h LEU 162 Ca 0.14 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3h44 h LEU 162 Cb 0.14 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3h44 h LEU 162 CO -0.02 0.48 -0.24 -0.78 -0.34 0.00 0.00 178.44 177.55 3h44 h ASP 163 N 0.58 -0.57 -0.82 1.25 -0.00 -1.20 0.01 116.42 115.68 3h44 h ASP 163 Ca 0.14 -0.01 0.08 0.00 -0.00 0.00 0.00 57.03 57.25 3h44 h ASP 163 Cb 0.12 0.15 -0.06 0.00 -0.00 0.00 0.00 39.33 39.55 3h44 h ASP 163 CO -0.01 -0.37 0.53 0.03 -0.00 0.00 0.00 179.24 179.42 3h44 h ARG 164 N -0.72 0.80 0.31 0.28 3.08 -1.34 -2.08 114.38 114.70 3h44 h ARG 164 Ca -0.07 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3h44 h ARG 164 Cb 0.54 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3h44 h ARG 164 CO 0.11 0.53 -0.15 0.35 -1.07 0.00 0.00 179.97 179.74 3h44 h PHE 165 N 0.82 -0.38 -0.38 3.04 3.04 -1.22 -3.08 116.94 118.78 3h44 h PHE 165 Ca 0.37 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.42 3h44 h PHE 165 Cb 0.35 0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 3h44 h PHE 165 CO -0.00 -0.09 0.38 0.00 -2.02 0.00 0.00 178.31 176.58 3h44 h ALA 166 N -0.05 2.11 -0.36 2.41 0.00 -0.30 0.27 119.26 123.34 3h44 h ALA 166 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3h44 h ALA 166 Cb 0.46 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3h44 h ALA 166 CO 0.07 -0.58 0.17 1.96 0.00 0.00 0.00 179.25 180.87 3h44 h GLN 167 N 0.00 0.50 -0.32 0.00 1.08 -1.37 -2.86 115.11 112.14 3h44 h GLN 167 Ca 0.18 -0.05 0.09 0.00 -1.45 0.00 0.00 58.65 57.42 3h44 h GLN 167 Cb 0.95 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.26 3h44 h GLN 167 CO -0.00 0.39 0.33 0.74 -0.95 0.00 0.00 178.83 179.34 3h44 h PHE 168 N 0.50 0.00 -0.28 2.96 -1.00 -1.05 -0.35 116.94 117.73 3h44 h PHE 168 Ca 0.13 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.88 3h44 h PHE 168 Cb 0.06 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.60 3h44 h PHE 168 CO 0.00 0.00 0.00 1.19 -1.61 0.00 0.00 178.31 177.89 3h44 n PHE 169 N -3.82 0.98 0.05 -0.55 3.72 -1.08 -4.41 117.46 112.35 3h44 n PHE 169 Ca 0.05 -0.99 0.00 0.00 -0.05 0.00 0.00 57.45 56.46 3h44 n PHE 169 Cb 0.48 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.68 3h44 n PHE 169 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3h44 n LEU 170 N -0.62 0.34 -2.89 4.37 4.77 -0.17 -4.82 117.00 117.98 3h44 n LEU 170 Ca 0.23 0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 56.26 3h44 n LEU 170 Cb 0.92 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.99 3h44 n LEU 170 CO 0.16 -0.52 0.04 -1.54 -1.33 0.00 0.00 177.39 174.20 3h44 n SER 171 N -3.19 -2.36 -4.77 -1.43 3.41 -1.01 -5.07 113.62 99.20 3h44 n SER 171 Ca 0.00 -2.98 -0.40 0.00 -0.26 0.00 0.00 58.87 55.24 3h44 n SER 171 Cb 0.14 1.16 -0.01 0.00 -0.26 0.00 0.00 64.21 65.24 3h44 n SER 171 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3h44 s PRO 172 N 0.41 4.12 0.26 4.33 0.04 -1.26 -0.56 135.00 142.35 3h44 s PRO 172 Ca 0.32 2.13 -0.01 0.00 0.04 0.00 0.00 61.00 63.48 3h44 s PRO 172 Cb 0.12 -2.86 0.35 0.00 0.04 0.00 0.00 34.50 32.15 3h44 s PRO 172 CO -0.16 -0.35 1.75 -0.07 0.04 0.00 0.00 177.00 178.21 3h44 h LEU 173 N 2.93 0.70 -2.07 -3.56 3.38 -0.53 -3.46 115.31 112.71 3h44 h LEU 173 Ca -0.49 -0.18 -0.62 0.00 0.09 0.00 0.00 57.88 56.68 3h44 h LEU 173 Cb 1.24 -0.19 -0.21 0.00 0.09 0.00 0.00 40.66 41.59 3h44 h LEU 173 CO 0.64 0.81 -0.97 0.49 0.09 0.00 0.00 178.44 179.49 3h44 n PHE 174 N -4.20 -1.26 -1.54 1.13 3.01 -1.26 -4.85 117.46 108.49 3h44 n PHE 174 Ca 0.02 0.61 -0.42 0.00 1.01 0.00 0.00 57.45 58.67 3h44 n PHE 174 Cb 0.32 -2.80 0.00 0.00 -0.01 0.00 0.00 39.48 37.00 3h44 n PHE 174 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3h44 n ASP 175 N -2.88 0.35 0.04 4.37 2.03 -1.26 -4.83 116.55 114.37 3h44 n ASP 175 Ca -0.32 1.01 -0.09 0.00 0.52 0.00 0.00 54.79 55.91 3h44 n ASP 175 Cb 0.70 -1.23 0.05 0.00 -0.72 0.00 0.00 41.12 39.91 3h44 n ASP 175 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3h44 h GLU 176 N 1.30 0.43 0.00 -0.67 4.57 -2.00 -1.14 114.58 117.08 3h44 h GLU 176 Ca -0.41 -0.32 -0.24 0.00 -1.18 0.00 0.00 59.36 57.21 3h44 h GLU 176 Cb 1.37 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.97 3h44 h GLU 176 CO 0.55 0.94 -1.47 0.66 -1.18 0.00 0.00 179.01 178.51 3h44 h SER 177 N 0.31 0.00 -0.74 1.04 4.64 -2.00 -2.92 113.55 113.89 3h44 h SER 177 Ca -0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 3h44 h SER 177 Cb 1.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.26 3h44 h SER 177 CO 0.11 0.88 0.40 0.00 -0.87 0.00 0.00 176.83 177.35 3h44 h ALA 178 N 1.12 1.28 0.64 5.18 0.00 -1.94 -2.66 119.26 122.89 3h44 h ALA 178 Ca -0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3h44 h ALA 178 Cb 1.84 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 3h44 h ALA 178 CO 0.08 0.57 -0.44 -0.22 0.00 0.00 0.00 179.25 179.24 3h44 h LYS 179 N 1.06 -1.00 -0.56 0.00 3.64 -1.18 0.17 116.57 118.70 3h44 h LYS 179 Ca 0.26 0.07 0.16 0.00 -1.27 0.00 0.00 60.65 59.87 3h44 h LYS 179 Cb 0.05 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3h44 h LYS 179 CO -0.04 -0.66 0.40 -0.44 -2.27 0.00 0.00 179.45 176.44 3h44 h ASP 180 N -1.03 0.01 0.00 4.20 3.32 -1.48 -1.87 116.42 119.57 3h44 h ASP 180 Ca -0.08 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.95 3h44 h ASP 180 Cb 0.85 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 3h44 h ASP 180 CO 0.05 0.00 -0.19 0.03 -1.72 0.00 0.00 179.24 177.42 3h44 h ARG 181 N 0.01 0.00 0.00 3.56 3.08 -1.38 -3.38 114.38 116.28 3h44 h ARG 181 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3h44 h ARG 181 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3h44 h ARG 181 CO -0.01 0.28 0.00 1.49 -1.07 0.00 0.00 179.97 180.67 3h44 h GLU 182 N -1.00 0.00 0.00 0.04 4.57 -0.75 -0.34 114.58 117.10 3h44 h GLU 182 Ca -0.03 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3h44 h GLU 182 Cb 0.40 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.99 3h44 h GLU 182 CO -0.02 0.00 -0.04 -0.24 -1.18 0.00 0.00 179.01 177.54 3h44 h VAL 183 N 0.00 0.96 -0.39 0.32 3.04 -1.51 -2.86 116.25 115.81 3h44 h VAL 183 Ca 0.00 -0.13 -0.13 0.00 -1.01 0.00 0.00 66.70 65.43 3h44 h VAL 183 Cb 0.05 1.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.39 3h44 h VAL 183 CO 0.00 0.04 -0.27 0.78 -1.01 0.00 0.00 177.57 177.11 3h44 h ASN 184 N 0.00 0.84 -0.80 3.17 4.21 -1.27 -1.30 115.58 120.43 3h44 h ASN 184 Ca -0.00 -0.33 0.00 0.00 1.21 0.00 0.00 56.30 57.18 3h44 h ASN 184 Cb 0.07 -0.23 -0.04 0.00 -1.12 0.00 0.00 38.32 37.00 3h44 h ASN 184 CO 0.01 1.06 0.52 0.00 -1.29 0.00 0.00 177.43 177.73 3h44 h ALA 185 N 0.99 1.41 -0.01 -0.83 0.00 -1.65 0.22 119.26 119.39 3h44 h ALA 185 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3h44 h ALA 185 Cb 0.81 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3h44 h ALA 185 CO 0.07 0.54 -0.02 0.28 0.00 0.00 0.00 179.25 180.12 3h44 h VAL 186 N 1.09 1.42 -0.82 0.00 2.07 -1.44 0.69 116.25 119.27 3h44 h VAL 186 Ca 0.29 -1.27 0.09 0.00 0.82 0.00 0.00 66.70 66.64 3h44 h VAL 186 Cb -0.11 2.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 3h44 h VAL 186 CO -0.06 0.33 0.47 -0.78 0.02 0.00 0.00 177.57 177.55 3h44 h ASP 187 N -0.49 0.68 -0.34 0.57 3.58 -1.02 -0.66 116.42 118.74 3h44 h ASP 187 Ca 0.00 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.53 3h44 h ASP 187 Cb 0.55 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 3h44 h ASP 187 CO 0.00 0.39 0.15 -1.28 -2.88 0.00 0.00 179.24 175.62 3h44 h SER 188 N 0.79 0.20 -0.42 2.28 0.87 -0.50 0.18 113.55 116.95 3h44 h SER 188 Ca 0.39 0.02 0.09 0.00 -1.23 0.00 0.00 61.79 61.06 3h44 h SER 188 Cb 0.35 -0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 62.22 3h44 h SER 188 CO -0.24 0.15 -0.12 -0.33 -0.53 0.00 0.00 176.83 175.76 3h44 h GLU 189 N 0.31 -0.02 -0.49 2.24 5.08 0.54 -1.62 114.58 120.63 3h44 h GLU 189 Ca 0.15 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 3h44 h GLU 189 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3h44 h GLU 189 CO -0.12 -0.01 -0.08 1.25 -1.00 0.00 0.00 179.01 179.05 3h44 h HIS 190 N -0.02 1.02 0.05 4.33 2.76 -0.92 -3.01 115.15 119.36 3h44 h HIS 190 Ca 0.20 -0.20 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 3h44 h HIS 190 Cb 0.33 -0.25 -0.05 0.00 1.55 0.00 0.00 27.41 28.98 3h44 h HIS 190 CO -0.38 0.97 -0.46 0.93 -1.30 0.00 0.00 177.93 177.69 3h44 h GLU 191 N 0.77 -0.62 -1.25 5.26 4.39 -0.18 0.44 114.58 123.39 3h44 h GLU 191 Ca 0.13 0.04 0.46 0.00 0.34 0.00 0.00 59.36 60.33 3h44 h GLU 191 Cb 0.62 0.14 -0.15 0.00 -0.10 0.00 0.00 28.75 29.26 3h44 h GLU 191 CO 0.04 -0.41 0.77 -0.22 -1.16 0.00 0.00 179.01 178.02 3h44 h LYS 192 N -0.64 0.01 0.00 2.33 3.64 -1.24 -1.56 116.57 119.09 3h44 h LYS 192 Ca 0.03 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3h44 h LYS 192 Cb 0.69 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3h44 h LYS 192 CO -0.30 0.00 -1.27 0.09 -2.27 0.00 0.00 179.45 175.70 3h44 n ASN 193 N -4.92 0.58 -0.32 4.20 3.02 -0.02 -4.28 115.26 113.52 3h44 n ASN 193 Ca 0.40 -0.43 0.09 0.00 -0.03 0.00 0.00 54.58 54.60 3h44 n ASN 193 Cb 1.47 1.18 0.25 0.00 -0.61 0.00 0.00 39.78 42.08 3h44 n ASN 193 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3h44 h VAL 194 N 0.00 0.75 -0.19 2.41 2.07 -0.02 -1.02 116.25 120.25 3h44 h VAL 194 Ca 0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3h44 h VAL 194 Cb 0.72 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3h44 h VAL 194 CO 0.00 0.13 0.00 0.23 0.02 0.00 0.00 177.57 177.95 3h44 n MET 195 N -4.80 1.98 -2.84 1.57 2.81 -1.26 -4.78 117.12 109.80 3h44 n MET 195 Ca 0.19 -1.46 -0.41 0.00 -1.81 0.00 0.00 57.70 54.21 3h44 n MET 195 Cb 0.46 -1.44 -0.04 0.00 -0.71 0.00 0.00 33.22 31.49 3h44 n MET 195 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3h44 s ASN 196 N -1.64 7.23 0.23 7.83 3.04 -0.39 -4.85 114.94 126.39 3h44 s ASN 196 Ca 0.34 1.48 -0.02 0.00 0.04 0.00 0.00 52.86 54.71 3h44 s ASN 196 Cb 0.19 -2.51 0.24 0.00 -1.54 0.00 0.00 41.25 37.63 3h44 s ASN 196 CO 0.29 -0.20 1.63 0.44 -3.04 0.00 0.00 177.10 176.21 3h44 h ASP 197 N 6.78 0.65 -0.40 -4.21 5.19 -1.90 -1.70 116.42 120.83 3h44 h ASP 197 Ca -0.41 -0.25 -0.13 0.00 -0.62 0.00 0.00 57.03 55.61 3h44 h ASP 197 Cb 1.21 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.53 3h44 h ASP 197 CO 0.75 0.92 -0.27 0.00 -3.12 0.00 0.00 179.24 177.52 3h44 h ALA 198 N 1.13 0.57 -0.20 3.45 0.00 -1.94 -2.56 119.26 119.70 3h44 h ALA 198 Ca 0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3h44 h ALA 198 Cb 0.80 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3h44 h ALA 198 CO 0.07 0.58 0.06 -1.49 0.00 0.00 0.00 179.25 178.47 3h44 h TRP 199 N 0.70 0.32 -0.50 0.00 4.06 -1.82 0.12 115.95 118.83 3h44 h TRP 199 Ca 0.08 -0.03 0.07 0.00 2.06 0.00 0.00 58.89 61.07 3h44 h TRP 199 Cb 0.85 -0.09 -0.06 0.00 -1.00 0.00 0.00 29.16 28.85 3h44 h TRP 199 CO 0.06 0.41 0.15 0.00 -3.56 0.00 0.00 178.44 175.49 3h44 h ARG 200 N 0.14 0.29 -0.37 0.49 3.08 -1.33 -1.05 114.38 115.64 3h44 h ARG 200 Ca 0.06 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 3h44 h ARG 200 Cb 0.24 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3h44 h ARG 200 CO -0.00 0.19 -0.13 -0.07 -1.07 0.00 0.00 179.97 178.90 3h44 h LEU 201 N 0.30 0.64 -0.18 3.04 4.07 -1.38 0.22 115.31 122.03 3h44 h LEU 201 Ca 0.24 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 58.01 3h44 h LEU 201 Cb 0.29 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 3h44 h LEU 201 CO -0.28 0.79 0.08 0.15 -1.08 0.00 0.00 178.44 178.10 3h44 h PHE 202 N 0.59 0.26 0.01 1.13 3.04 0.00 -2.32 116.94 119.66 3h44 h PHE 202 Ca 0.10 -0.02 -0.20 0.00 3.98 0.00 0.00 57.97 61.84 3h44 h PHE 202 Cb 0.56 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.97 3h44 h PHE 202 CO 0.02 0.30 -0.91 0.37 -2.02 0.00 0.00 178.31 176.07 3h44 h GLN 203 N 0.15 0.08 -0.65 1.11 5.75 -1.12 -3.20 115.11 117.22 3h44 h GLN 203 Ca 0.06 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3h44 h GLN 203 Cb 0.14 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 3h44 h GLN 203 CO -0.01 0.93 0.39 1.25 -2.65 0.00 0.00 178.83 178.74 3h44 h LEU 204 N 0.04 0.78 0.17 -2.39 5.85 -0.42 -1.92 115.31 117.42 3h44 h LEU 204 Ca -0.03 -0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.66 3h44 h LEU 204 Cb 1.57 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.38 3h44 h LEU 204 CO 0.13 0.61 -0.23 -0.08 -0.34 0.00 0.00 178.44 178.53 3h44 h GLU 205 N 0.90 -0.44 -0.98 1.25 4.81 -1.42 -2.33 114.58 116.38 3h44 h GLU 205 Ca 0.24 0.03 0.20 0.00 -0.13 0.00 0.00 59.36 59.69 3h44 h GLU 205 Cb -0.02 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 29.36 3h44 h GLU 205 CO -0.04 -0.29 0.61 0.87 -0.73 0.00 0.00 179.01 179.43 3h44 h LYS 206 N -0.46 0.62 -0.02 1.92 1.57 -1.50 0.84 116.57 119.54 3h44 h LYS 206 Ca 0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3h44 h LYS 206 Cb 0.45 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3h44 h LYS 206 CO -0.10 0.41 0.00 0.00 -0.57 0.00 0.00 179.45 179.19 3h44 n ALA 207 N -2.40 2.61 0.31 3.86 0.00 -0.77 -3.54 120.51 120.59 3h44 n ALA 207 Ca 0.22 -0.35 0.05 0.00 0.00 0.00 0.00 53.44 53.36 3h44 n ALA 207 Cb 0.63 -1.29 0.05 0.00 0.00 0.00 0.00 19.45 18.83 3h44 n ALA 207 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h44 n THR 208 N -0.29 0.12 -3.08 0.00 -2.24 0.27 -4.96 114.28 104.10 3h44 n THR 208 Ca 0.20 -0.56 -0.17 0.00 -2.27 0.00 0.00 64.05 61.25 3h44 n THR 208 Cb 0.25 1.11 0.06 0.00 -2.10 0.00 0.00 70.33 69.64 3h44 n THR 208 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h44 n GLY 209 N 0.49 2.00 3.74 3.38 0.00 -1.12 -4.91 105.19 108.76 3h44 n GLY 209 Ca 0.06 -2.22 -0.65 0.00 0.00 0.00 0.00 46.02 43.21 3h44 n GLY 209 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3h44 n ASN 210 N -2.38 1.51 0.26 1.61 2.85 -0.23 -4.86 115.26 114.03 3h44 n ASN 210 Ca 0.14 1.16 0.17 0.00 -0.11 0.00 0.00 54.58 55.93 3h44 n ASN 210 Cb 0.53 -0.95 0.67 0.00 1.24 0.00 0.00 39.78 41.27 3h44 n ASN 210 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3h44 h PRO 211 N 5.57 0.00 0.00 1.20 0.11 -1.91 -2.99 132.00 133.98 3h44 h PRO 211 Ca -0.45 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 3h44 h PRO 211 Cb 1.36 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.45 3h44 h PRO 211 CO 0.97 0.00 -0.79 0.87 -0.21 0.00 0.00 178.00 178.84 3h44 h LYS 212 N 0.00 0.00 -6.54 1.05 6.56 -1.98 -3.46 116.57 112.19 3h44 h LYS 212 Ca 0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 3h44 h LYS 212 Cb 0.47 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.15 3h44 h LYS 212 CO 0.00 0.44 0.74 -1.58 -2.06 0.00 0.00 179.45 177.00 3h44 s HIS 213 N -2.95 3.20 -1.57 -1.35 2.46 -1.13 -4.89 115.29 109.06 3h44 s HIS 213 Ca 0.02 0.91 0.00 0.00 0.47 0.00 0.00 55.06 56.46 3h44 s HIS 213 Cb 0.08 -3.70 0.00 0.00 -0.13 0.00 0.00 32.58 28.83 3h44 s HIS 213 CO 0.77 -2.49 0.49 -0.35 -2.47 0.00 0.00 174.74 170.69 3h44 n PRO 214 N 4.04 0.00 0.17 2.88 -0.04 -1.26 -1.04 135.00 139.74 3h44 n PRO 214 Ca 0.12 0.06 0.05 0.00 -0.04 0.00 0.00 63.50 63.68 3h44 n PRO 214 Cb 0.42 -1.51 0.19 0.00 -0.04 0.00 0.00 33.50 32.56 3h44 n PRO 214 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 3h44 h PHE 215 N 0.00 0.00 0.00 0.54 3.04 -1.90 -3.12 116.94 115.50 3h44 h PHE 215 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3h44 h PHE 215 Cb 0.02 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.53 3h44 h PHE 215 CO 0.00 0.42 0.00 -1.13 -2.02 0.00 0.00 178.31 175.58 3h44 n SER 216 N -3.34 0.36 -4.74 0.41 3.41 -0.21 -4.72 113.62 104.79 3h44 n SER 216 Ca 0.01 0.57 -0.39 0.00 -0.26 0.00 0.00 58.87 58.79 3h44 n SER 216 Cb 0.62 -0.65 0.03 0.00 -0.26 0.00 0.00 64.21 63.95 3h44 n SER 216 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3h44 n LYS 217 N -1.88 1.90 -2.99 4.33 5.02 -1.18 -4.67 118.16 118.69 3h44 n LYS 217 Ca 0.04 0.69 -0.43 0.00 -2.02 0.00 0.00 58.31 56.59 3h44 n LYS 217 Cb 0.27 -2.57 -0.06 0.00 -0.02 0.00 0.00 35.03 32.66 3h44 n LYS 217 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3h44 s PHE 218 N -1.25 3.05 0.06 2.13 5.36 -1.26 -4.95 117.98 121.13 3h44 s PHE 218 Ca 0.67 0.28 -0.10 0.00 -0.96 0.00 0.00 56.93 56.82 3h44 s PHE 218 Cb -0.44 -3.49 -0.29 0.00 -0.34 0.00 0.00 43.02 38.46 3h44 s PHE 218 CO 0.53 -0.85 1.10 0.78 -1.46 0.00 0.00 175.22 175.32 3h44 h GLY 219 N 9.88 0.51 1.01 13.12 0.00 -1.92 -3.25 103.07 122.42 3h44 h GLY 219 Ca -0.25 -1.20 -0.05 0.00 0.00 0.00 0.00 47.33 45.83 3h44 h GLY 219 CO 0.92 1.06 0.20 -0.84 0.00 0.00 0.00 176.54 177.88 3h44 h THR 220 N 0.15 1.24 -2.15 4.70 2.02 -1.92 -3.35 112.91 113.61 3h44 h THR 220 Ca -0.18 -0.82 0.23 0.00 0.77 0.00 0.00 66.41 66.41 3h44 h THR 220 Cb 1.99 0.63 -0.10 0.00 -1.74 0.00 0.00 68.15 68.93 3h44 h THR 220 CO 0.23 0.31 -0.61 0.61 0.37 0.00 0.00 175.52 176.43 3h44 n GLY 221 N -0.73 -2.51 3.83 2.16 0.00 -1.26 -4.69 105.19 101.99 3h44 n GLY 221 Ca 0.03 -1.24 -0.07 0.00 0.00 0.00 0.00 46.02 44.75 3h44 n GLY 221 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h44 s ASN 222 N -6.37 -0.08 0.34 1.61 2.20 -1.26 -4.67 114.94 106.71 3h44 s ASN 222 Ca 0.00 -0.86 0.15 0.00 -0.94 0.00 0.00 52.86 51.21 3h44 s ASN 222 Cb 0.00 0.73 1.12 0.00 -2.00 0.00 0.00 41.25 41.10 3h44 s ASN 222 CO 0.00 -1.41 1.63 0.50 -2.94 0.00 0.00 177.10 174.88 3h44 h LYS 223 N 2.00 0.17 0.77 3.55 1.63 -1.89 -0.87 116.57 121.93 3h44 h LYS 223 Ca -0.27 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.48 3h44 h LYS 223 Cb 1.24 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 32.84 3h44 h LYS 223 CO 0.34 0.11 -0.37 -0.92 -3.45 0.00 0.00 179.45 175.16 3h44 h TYR 224 N 0.18 -0.96 0.00 1.91 3.20 -1.97 -2.30 116.97 117.03 3h44 h TYR 224 Ca 0.75 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.52 3h44 h TYR 224 Cb 1.80 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 40.37 3h44 h TYR 224 CO -0.07 -0.59 -0.38 1.79 -1.64 0.00 0.00 178.16 177.28 3h44 h THR 225 N -1.24 1.08 -0.01 1.81 1.35 -1.61 0.37 112.91 114.66 3h44 h THR 225 Ca -0.11 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 3h44 h THR 225 Cb 0.80 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 3h44 h THR 225 CO 0.17 0.37 -0.49 0.18 -0.25 0.00 0.00 175.52 175.51 3h44 n LEU 226 N -3.80 1.75 0.05 3.87 4.32 -0.43 -4.40 117.00 118.35 3h44 n LEU 226 Ca -0.01 -0.64 0.00 0.00 -0.02 0.00 0.00 56.01 55.34 3h44 n LEU 226 Cb 0.45 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.23 3h44 n LEU 226 CO 0.37 0.33 0.00 1.21 -1.22 0.00 0.00 177.39 178.09 3h44 n GLU 227 N -0.28 0.00 0.25 3.23 2.13 -0.96 -4.91 120.64 120.10 3h44 n GLU 227 Ca 0.09 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.81 3h44 n GLU 227 Cb 0.43 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.09 3h44 n GLU 227 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 3h44 h THR 228 N 0.00 0.00 -0.40 6.31 2.02 -0.78 -0.04 112.91 120.02 3h44 h THR 228 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 3h44 h THR 228 Cb 0.00 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 3h44 h THR 228 CO 0.00 0.00 0.29 -0.09 0.37 0.00 0.00 175.52 176.09 3h44 h ARG 229 N -0.67 0.06 -0.22 6.66 2.43 -1.25 -2.23 114.38 119.16 3h44 h ARG 229 Ca -0.06 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 3h44 h ARG 229 Cb 0.53 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 3h44 h ARG 229 CO 0.09 0.04 -0.01 -1.35 -1.51 0.00 0.00 179.97 177.23 3h44 h PRO 230 N 0.07 0.39 -0.06 0.20 0.11 -1.66 -2.19 132.00 128.86 3h44 h PRO 230 Ca 0.19 -0.13 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 3h44 h PRO 230 Cb 0.67 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 3h44 h PRO 230 CO -0.01 0.59 -0.25 -0.91 -0.21 0.00 0.00 178.00 177.20 3h44 h ASN 231 N 0.15 0.10 -0.14 -2.05 -0.26 -0.45 0.28 115.58 113.22 3h44 h ASN 231 Ca 0.06 -0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.75 3h44 h ASN 231 Cb 0.42 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 37.65 3h44 h ASN 231 CO 0.01 0.36 -0.04 -0.61 -1.06 0.00 0.00 177.43 176.09 3h44 h GLN 232 N 0.09 0.27 -0.10 0.81 4.15 -1.46 -2.79 115.11 116.09 3h44 h GLN 232 Ca 0.01 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3h44 h GLN 232 Cb 0.50 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.18 3h44 h GLN 232 CO 0.04 0.56 0.00 0.39 -1.93 0.00 0.00 178.83 177.88 3h44 n GLU 233 N -4.71 1.22 -2.29 1.69 1.02 -0.82 -4.89 120.64 111.86 3h44 n GLU 233 Ca -0.06 -0.35 -0.18 0.00 -0.02 0.00 0.00 57.16 56.55 3h44 n GLU 233 Cb 0.26 -1.08 -0.02 0.00 -0.02 0.00 0.00 31.44 30.58 3h44 n GLU 233 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h44 n GLY 234 N 0.66 -0.20 3.75 0.62 0.00 0.31 -4.96 105.19 105.37 3h44 n GLY 234 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 3h44 n GLY 234 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h44 s ILE 235 N -2.84 3.71 -0.30 -0.61 -1.09 0.71 -4.99 121.20 115.78 3h44 s ILE 235 Ca 0.00 1.66 -0.12 0.00 -2.23 0.00 0.00 60.65 59.96 3h44 s ILE 235 Cb 0.00 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 3h44 s ILE 235 CO 0.00 0.37 0.21 -0.62 -1.23 0.00 0.00 174.94 173.67 3h44 s ASP 236 N -0.76 6.04 0.01 3.58 -1.08 -1.26 -4.38 116.67 118.81 3h44 s ASP 236 Ca 0.45 -0.17 -0.19 0.00 -0.52 0.00 0.00 52.55 52.11 3h44 s ASP 236 Cb -0.30 -2.13 -0.27 0.00 -1.46 0.00 0.00 42.92 38.77 3h44 s ASP 236 CO 0.38 -0.13 1.06 0.58 0.52 0.00 0.00 175.17 177.57 3h44 h VAL 237 N 5.42 1.41 -0.82 1.11 2.07 -1.95 -2.53 116.25 120.97 3h44 h VAL 237 Ca -0.33 -2.28 0.16 0.00 0.82 0.00 0.00 66.70 65.07 3h44 h VAL 237 Cb 1.18 2.75 -0.10 0.00 -1.52 0.00 0.00 31.29 33.59 3h44 h VAL 237 CO 0.59 0.67 0.35 -0.09 0.02 0.00 0.00 177.57 179.10 3h44 h ARG 238 N -0.06 0.45 -0.43 1.57 2.43 -1.94 0.14 114.38 116.55 3h44 h ARG 238 Ca -0.12 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 58.96 3h44 h ARG 238 Cb 1.54 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.97 3h44 h ARG 238 CO 0.16 0.30 0.00 0.37 -1.51 0.00 0.00 179.97 179.29 3h44 h GLN 239 N 0.46 0.75 -0.44 0.20 4.15 -1.96 -1.25 115.11 117.03 3h44 h GLN 239 Ca 0.46 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 3h44 h GLN 239 Cb 0.75 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.35 3h44 h GLN 239 CO -0.44 0.83 0.25 0.93 -1.93 0.00 0.00 178.83 178.47 3h44 h GLU 240 N 0.59 0.59 -0.20 1.69 4.39 -0.88 1.00 114.58 121.77 3h44 h GLU 240 Ca 0.12 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 3h44 h GLU 240 Cb 0.49 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 3h44 h GLU 240 CO 0.02 0.43 0.09 -0.07 -1.16 0.00 0.00 179.01 178.32 3h44 h LEU 241 N 0.61 0.26 -0.28 1.33 3.38 -0.57 -0.42 115.31 119.62 3h44 h LEU 241 Ca 0.16 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3h44 h LEU 241 Cb -0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3h44 h LEU 241 CO -0.03 0.32 0.08 -0.07 0.09 0.00 0.00 178.44 178.83 3h44 h LEU 242 N 0.18 0.41 -0.37 1.67 3.38 -0.38 0.27 115.31 120.47 3h44 h LEU 242 Ca 0.07 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 57.90 3h44 h LEU 242 Cb 0.14 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.69 3h44 h LEU 242 CO -0.01 0.52 -0.23 0.50 0.09 0.00 0.00 178.44 179.31 3h44 h LYS 243 N 0.28 -0.17 -0.25 1.13 3.64 0.11 0.92 116.57 122.24 3h44 h LYS 243 Ca 0.09 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3h44 h LYS 243 Cb 0.27 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3h44 h LYS 243 CO -0.00 -0.11 -0.09 0.35 -2.27 0.00 0.00 179.45 177.32 3h44 h PHE 244 N -0.17 0.57 -0.23 1.91 3.57 -0.96 0.64 116.94 122.27 3h44 h PHE 244 Ca 0.18 -0.13 0.02 0.00 3.53 0.00 0.00 57.97 61.57 3h44 h PHE 244 Cb 0.46 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 3h44 h PHE 244 CO -0.45 0.74 0.11 1.25 -2.23 0.00 0.00 178.31 177.73 3h44 h HIS 245 N 0.23 0.19 -0.50 0.41 2.76 0.16 -1.73 115.15 116.68 3h44 h HIS 245 Ca 0.06 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.17 3h44 h HIS 245 Cb 0.58 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 3h44 h HIS 245 CO 0.06 0.11 0.02 1.03 -1.30 0.00 0.00 177.93 177.85 3h44 h SER 246 N 0.23 0.84 0.63 3.26 0.87 -0.78 -0.37 113.55 118.23 3h44 h SER 246 Ca 0.10 -0.29 -0.03 0.00 -1.23 0.00 0.00 61.79 60.33 3h44 h SER 246 Cb 0.04 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.77 3h44 h SER 246 CO -0.07 0.92 -0.15 0.00 -0.53 0.00 0.00 176.83 177.00 3h44 h ALA 247 N 0.94 1.13 0.00 6.23 0.00 -0.53 -3.38 119.26 123.65 3h44 h ALA 247 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h44 h ALA 247 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3h44 h ALA 247 CO 0.02 0.18 -0.42 0.66 0.00 0.00 0.00 179.25 179.70 3h44 n TYR 248 N -3.46 0.00 -1.67 0.00 4.02 -0.68 -4.80 117.16 110.58 3h44 n TYR 248 Ca -0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.48 3h44 n TYR 248 Cb 0.31 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.62 3h44 n TYR 248 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3h44 n TYR 249 N -0.98 2.72 -3.57 -0.72 0.53 -0.15 -4.91 117.16 110.08 3h44 n TYR 249 Ca 0.00 -2.97 -0.38 0.00 -1.02 0.00 0.00 57.90 53.53 3h44 n TYR 249 Cb 0.15 -2.28 -0.06 0.00 -1.03 0.00 0.00 39.34 36.12 3h44 n TYR 249 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 3h44 s SER 250 N 1.76 6.73 0.62 7.72 0.15 -1.26 -4.89 113.70 124.53 3h44 s SER 250 Ca 0.58 0.88 0.28 0.00 0.70 0.00 0.00 55.95 58.39 3h44 s SER 250 Cb 0.16 -2.22 1.47 0.00 -1.71 0.00 0.00 66.02 63.73 3h44 s SER 250 CO -0.07 0.34 1.86 0.77 1.20 0.00 0.00 173.24 177.34 3h44 h SER 251 N 4.73 0.00 0.90 5.45 4.64 -1.66 0.68 113.55 128.29 3h44 h SER 251 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 3h44 h SER 251 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3h44 h SER 251 CO 0.61 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.11 3h44 n ASN 252 N -3.39 0.46 -0.76 4.97 6.94 -1.24 -2.41 115.26 119.82 3h44 n ASN 252 Ca 0.05 0.58 0.07 0.00 -0.02 0.00 0.00 54.58 55.27 3h44 n ASN 252 Cb 0.60 -0.69 0.22 0.00 -2.36 0.00 0.00 39.78 37.54 3h44 n ASN 252 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3h44 n LEU 253 N -1.97 3.48 -4.60 -4.53 4.77 0.23 -4.85 117.00 109.54 3h44 n LEU 253 Ca 0.04 -2.67 -0.30 0.00 -0.03 0.00 0.00 56.01 53.05 3h44 n LEU 253 Cb 0.28 -0.43 -0.10 0.00 -2.33 0.00 0.00 43.42 40.85 3h44 n LEU 253 CO 0.22 0.69 -0.41 -0.04 -1.33 0.00 0.00 177.39 176.52 3h44 s MET 254 N -2.20 2.20 0.01 3.23 -1.94 -1.01 -0.36 119.30 119.23 3h44 s MET 254 Ca 0.35 -0.99 0.02 0.00 -1.71 0.00 0.00 55.69 53.36 3h44 s MET 254 Cb 0.26 -2.34 -0.01 0.00 2.01 0.00 0.00 34.83 34.75 3h44 s MET 254 CO 0.11 0.51 -0.07 0.00 -0.01 0.00 0.00 175.02 175.56 3h44 s ALA 255 N -1.23 0.60 -0.02 3.03 0.00 -0.79 -2.09 121.76 121.26 3h44 s ALA 255 Ca 0.22 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.79 3h44 s ALA 255 Cb -0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.90 3h44 s ALA 255 CO 0.14 0.11 -0.10 0.08 0.00 0.00 0.00 175.76 176.00 3h44 s VAL 256 N -0.45 0.78 -0.04 0.00 1.01 0.14 -1.43 120.40 120.41 3h44 s VAL 256 Ca 0.00 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3h44 s VAL 256 Cb -0.04 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.67 3h44 s VAL 256 CO -0.00 0.23 -0.10 -0.69 0.00 0.00 0.00 175.10 174.54 3h44 s VAL 257 N -0.06 0.93 -0.01 2.92 1.01 -0.54 -0.64 120.40 124.01 3h44 s VAL 257 Ca 0.01 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.61 3h44 s VAL 257 Cb -0.06 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.48 3h44 s VAL 257 CO -0.00 0.30 -0.05 -0.69 0.00 0.00 0.00 175.10 174.66 3h44 s VAL 258 N 0.48 0.44 -0.08 2.92 1.01 -0.82 -1.11 120.40 123.25 3h44 s VAL 258 Ca -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 3h44 s VAL 258 Cb -0.13 -0.40 0.03 0.00 0.00 0.00 0.00 36.38 35.88 3h44 s VAL 258 CO 0.02 0.15 -0.01 -0.22 0.00 0.00 0.00 175.10 175.03 3h44 s LEU 259 N 0.15 0.70 0.00 3.92 0.20 0.43 -0.75 118.68 123.33 3h44 s LEU 259 Ca -0.01 -0.11 -0.03 0.00 0.69 0.00 0.00 54.13 54.66 3h44 s LEU 259 Cb -0.05 -0.49 0.01 0.00 -0.43 0.00 0.00 46.19 45.23 3h44 s LEU 259 CO -0.00 -0.18 0.36 0.61 -0.29 0.00 0.00 176.35 176.85 3h44 n GLY 260 N 5.06 2.20 0.20 7.98 0.00 -0.90 -0.94 105.19 118.79 3h44 n GLY 260 Ca -0.09 -1.45 -0.17 0.00 0.00 0.00 0.00 46.02 44.32 3h44 n GLY 260 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h44 h ARG 261 N 0.00 0.68 -3.60 1.61 3.08 -1.85 -1.13 114.38 113.17 3h44 h ARG 261 Ca -0.19 -0.56 -0.45 0.00 0.07 0.00 0.00 59.98 58.85 3h44 h ARG 261 Cb 0.78 0.12 0.04 0.00 0.08 0.00 0.00 29.97 30.99 3h44 h ARG 261 CO 0.25 1.18 -0.07 0.39 -1.07 0.00 0.00 179.97 180.64 3h44 n GLU 262 N -4.06 0.00 -0.78 0.04 4.71 -1.26 -4.21 120.64 115.09 3h44 n GLU 262 Ca -0.08 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.74 3h44 n GLU 262 Cb 0.69 -0.81 0.13 0.00 -1.01 0.00 0.00 31.44 30.44 3h44 n GLU 262 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3h44 n SER 263 N 0.99 -1.99 -0.20 1.62 3.41 -1.26 -4.61 113.62 111.59 3h44 n SER 263 Ca 0.12 0.30 0.05 0.00 -0.26 0.00 0.00 58.87 59.07 3h44 n SER 263 Cb 0.08 -1.20 0.32 0.00 -0.26 0.00 0.00 64.21 63.14 3h44 n SER 263 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3h44 h LEU 264 N -1.62 0.73 -0.19 1.04 3.38 -1.96 -0.94 115.31 115.75 3h44 h LEU 264 Ca -0.44 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.50 3h44 h LEU 264 Cb 1.29 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 3h44 h LEU 264 CO 0.35 0.49 -0.00 0.44 0.09 0.00 0.00 178.44 179.81 3h44 h ASP 265 N 0.84 0.33 -0.24 -0.43 3.32 -1.99 -0.94 116.42 117.30 3h44 h ASP 265 Ca 0.31 -0.31 0.05 0.00 0.02 0.00 0.00 57.03 57.10 3h44 h ASP 265 Cb 0.15 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 3h44 h ASP 265 CO -0.10 0.56 -0.07 0.44 -1.72 0.00 0.00 179.24 178.35 3h44 h ASP 266 N 0.09 -0.25 -0.56 6.45 3.45 -1.79 -1.81 116.42 122.00 3h44 h ASP 266 Ca 0.05 0.08 0.01 0.00 0.43 0.00 0.00 57.03 57.60 3h44 h ASP 266 Cb 0.39 0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.30 3h44 h ASP 266 CO 0.01 -0.09 0.37 -0.07 -1.57 0.00 0.00 179.24 177.89 3h44 h LEU 267 N -0.01 0.62 -0.40 1.55 3.38 -1.12 -0.70 115.31 118.63 3h44 h LEU 267 Ca 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3h44 h LEU 267 Cb 0.20 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3h44 h LEU 267 CO -0.26 0.45 0.20 0.74 0.09 0.00 0.00 178.44 179.66 3h44 h THR 268 N 0.73 1.16 0.42 0.22 2.02 -0.47 -2.23 112.91 114.77 3h44 h THR 268 Ca 0.21 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 3h44 h THR 268 Cb -0.05 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3h44 h THR 268 CO -0.05 0.17 -0.30 0.78 0.37 0.00 0.00 175.52 176.50 3h44 h ASN 269 N 0.51 -0.77 -0.89 4.18 2.35 -0.46 -2.30 115.58 118.20 3h44 h ASN 269 Ca 0.14 0.05 0.22 0.00 -0.55 0.00 0.00 56.30 56.16 3h44 h ASN 269 Cb 0.09 0.24 -0.12 0.00 0.05 0.00 0.00 38.32 38.58 3h44 h ASN 269 CO -0.02 -0.46 0.37 0.25 -1.65 0.00 0.00 177.43 175.93 3h44 h LEU 270 N -0.71 0.30 0.64 1.61 5.85 -1.11 0.32 115.31 122.20 3h44 h LEU 270 Ca -0.04 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3h44 h LEU 270 Cb 0.60 0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.78 3h44 h LEU 270 CO 0.02 -0.01 -0.31 0.58 -0.34 0.00 0.00 178.44 178.38 3h44 h VAL 271 N 0.38 0.00 -0.73 1.05 2.07 -1.21 -2.94 116.25 114.88 3h44 h VAL 271 Ca 0.55 -0.27 0.16 0.00 0.82 0.00 0.00 66.70 67.97 3h44 h VAL 271 Cb 1.05 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.70 3h44 h VAL 271 CO -0.54 0.00 0.01 0.58 0.02 0.00 0.00 177.57 177.64 3h44 h VAL 272 N -1.12 0.38 -0.93 2.57 2.07 -1.04 0.49 116.25 118.66 3h44 h VAL 272 Ca -0.09 -0.04 0.18 0.00 0.82 0.00 0.00 66.70 67.57 3h44 h VAL 272 Cb 0.66 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 30.60 3h44 h VAL 272 CO 0.14 0.02 0.60 0.50 0.02 0.00 0.00 177.57 178.85 3h44 h LYS 273 N 0.11 0.57 0.00 1.57 3.64 -0.43 -3.05 116.57 118.98 3h44 h LYS 273 Ca 0.40 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3h44 h LYS 273 Cb 0.68 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3h44 h LYS 273 CO -0.63 0.38 -0.62 1.28 -2.27 0.00 0.00 179.45 177.58 3h44 n LEU 274 N -4.59 0.49 0.00 5.20 4.77 0.42 -4.79 117.00 118.50 3h44 n LEU 274 Ca 0.20 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3h44 n LEU 274 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3h44 n LEU 274 CO 0.28 0.12 -0.18 0.49 -1.33 0.00 0.00 177.39 176.77 3h44 n PHE 275 N -1.32 0.00 0.23 -1.77 3.01 0.14 -4.66 117.46 113.09 3h44 n PHE 275 Ca 0.02 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.54 3h44 n PHE 275 Cb 0.19 0.00 0.55 0.00 -0.01 0.00 0.00 39.48 40.20 3h44 n PHE 275 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3h44 h SER 276 N 0.00 0.00 0.00 4.37 0.02 -1.70 -2.63 113.55 113.61 3h44 h SER 276 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h44 h SER 276 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3h44 h SER 276 CO 0.00 0.14 0.00 -1.84 -1.14 0.00 0.00 176.83 173.99 3h44 n GLU 277 N -4.34 0.39 -3.26 3.45 0.28 -1.26 -4.78 120.64 111.12 3h44 n GLU 277 Ca -0.03 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.57 3h44 n GLU 277 Cb 0.21 -1.13 -0.08 0.00 1.43 0.00 0.00 31.44 31.87 3h44 n GLU 277 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3h44 s VAL 278 N -2.00 5.07 0.17 3.84 1.01 -1.00 -5.02 120.40 122.47 3h44 s VAL 278 Ca 0.05 0.67 -0.34 0.00 0.00 0.00 0.00 61.98 62.36 3h44 s VAL 278 Cb 0.02 -3.85 -0.15 0.00 0.00 0.00 0.00 36.38 32.41 3h44 s VAL 278 CO 0.04 0.00 1.45 -0.62 0.00 0.00 0.00 175.10 175.97 3h44 n GLU 279 N 5.57 1.82 -3.35 2.72 1.02 -1.26 -4.51 120.64 122.66 3h44 n GLU 279 Ca -0.05 0.65 -0.46 0.00 -0.02 0.00 0.00 57.16 57.28 3h44 n GLU 279 Cb 0.50 -2.35 -0.03 0.00 -0.02 0.00 0.00 31.44 29.54 3h44 n GLU 279 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3h44 s ASN 280 N 0.59 6.55 0.00 1.62 3.84 -1.26 -2.11 114.94 124.16 3h44 s ASN 280 Ca 0.77 -2.48 0.16 0.00 0.21 0.00 0.00 52.86 51.52 3h44 s ASN 280 Cb -0.75 -2.19 0.85 0.00 -0.55 0.00 0.00 41.25 38.61 3h44 s ASN 280 CO 0.44 -0.63 1.56 0.29 -2.79 0.00 0.00 177.10 175.97 3h44 n LYS 281 N 4.26 1.16 -3.87 0.43 5.02 -1.26 -4.90 118.16 119.00 3h44 n LYS 281 Ca 0.07 -0.24 -0.26 0.00 -2.02 0.00 0.00 58.31 55.85 3h44 n LYS 281 Cb 0.45 -1.26 -0.00 0.00 -0.02 0.00 0.00 35.03 34.19 3h44 n LYS 281 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3h44 n ASN 282 N -0.50 -1.48 -4.73 4.39 2.85 -1.26 -4.91 115.26 109.62 3h44 n ASN 282 Ca 0.12 -0.99 -0.41 0.00 -0.11 0.00 0.00 54.58 53.19 3h44 n ASN 282 Cb 0.11 -3.22 -0.04 0.00 1.24 0.00 0.00 39.78 37.87 3h44 n ASN 282 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3h44 s VAL 283 N -3.82 4.02 0.35 3.44 1.01 -1.26 -5.01 120.40 119.12 3h44 s VAL 283 Ca 0.11 1.66 -0.27 0.00 0.00 0.00 0.00 61.98 63.48 3h44 s VAL 283 Cb -0.04 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.19 3h44 s VAL 283 CO 0.87 0.25 1.18 -2.16 0.00 0.00 0.00 175.10 175.24 3h44 s PRO 284 N -0.02 4.31 -0.13 2.72 0.04 -1.26 -4.89 135.00 135.77 3h44 s PRO 284 Ca 0.51 1.91 -0.23 0.00 0.04 0.00 0.00 61.00 63.23 3h44 s PRO 284 Cb -0.28 -2.93 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 3h44 s PRO 284 CO 0.33 -0.12 0.70 -1.17 0.04 0.00 0.00 177.00 176.79 3h44 s LEU 285 N -2.00 4.24 0.39 -3.56 1.98 -1.26 -5.01 118.68 113.46 3h44 s LEU 285 Ca 0.51 1.08 -0.27 0.00 -2.89 0.00 0.00 54.13 52.56 3h44 s LEU 285 Cb -0.33 -3.05 -0.11 0.00 0.66 0.00 0.00 46.19 43.36 3h44 s LEU 285 CO 0.42 -0.22 1.40 -2.65 -1.89 0.00 0.00 176.35 173.42 3h44 n PRO 286 N 4.44 2.35 -4.39 0.98 -0.02 -1.26 -5.03 135.00 132.06 3h44 n PRO 286 Ca -0.00 0.83 -0.28 0.00 -2.02 0.00 0.00 63.50 62.03 3h44 n PRO 286 Cb 0.50 -2.55 -0.13 0.00 -0.02 0.00 0.00 33.50 31.31 3h44 n PRO 286 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3h44 s GLU 287 N -2.15 1.41 -0.44 -0.52 0.41 -1.26 -4.81 118.70 111.33 3h44 s GLU 287 Ca 0.57 -1.38 0.07 0.00 -0.41 0.00 0.00 54.97 53.82 3h44 s GLU 287 Cb -0.49 -1.85 0.24 0.00 -1.78 0.00 0.00 34.13 30.25 3h44 s GLU 287 CO 0.61 0.43 0.56 1.19 -0.49 0.00 0.00 175.26 177.56 3h44 n PHE 288 N 0.76 0.44 0.63 1.61 3.72 -0.39 -4.97 117.46 119.27 3h44 n PHE 288 Ca -0.17 -3.67 0.12 0.00 -0.05 0.00 0.00 57.45 53.67 3h44 n PHE 288 Cb 0.54 -0.36 0.46 0.00 -0.94 0.00 0.00 39.48 39.18 3h44 n PHE 288 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3h44 n PRO 289 N 1.38 0.13 -3.69 -1.08 -0.05 -1.26 -3.81 135.00 126.62 3h44 n PRO 289 Ca 0.23 0.23 -0.36 0.00 -0.05 0.00 0.00 63.50 63.54 3h44 n PRO 289 Cb 0.50 -1.69 -0.07 0.00 -0.05 0.00 0.00 33.50 32.20 3h44 n PRO 289 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 3h44 s GLU 290 N -3.11 3.95 0.25 0.54 2.12 -1.26 -4.87 118.70 116.31 3h44 s GLU 290 Ca 0.09 -0.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.10 3h44 s GLU 290 Cb 0.13 -3.33 -0.09 0.00 0.26 0.00 0.00 34.13 31.09 3h44 s GLU 290 CO 0.46 0.47 1.27 -1.58 -0.54 0.00 0.00 175.26 175.34 3h44 s HIS 291 N -0.20 3.26 0.48 5.30 5.65 -1.26 -4.88 115.29 123.63 3h44 s HIS 291 Ca 0.15 1.37 0.17 0.00 0.25 0.00 0.00 55.06 57.00 3h44 s HIS 291 Cb -0.13 -3.56 1.17 0.00 -1.18 0.00 0.00 32.58 28.88 3h44 s HIS 291 CO 0.03 -1.61 2.02 -1.35 -0.65 0.00 0.00 174.74 173.18 3h44 h PRO 292 N 4.53 0.22 -4.93 2.88 0.11 -1.96 -3.37 132.00 129.49 3h44 h PRO 292 Ca -0.46 -0.01 -0.68 0.00 0.11 0.00 0.00 66.00 64.95 3h44 h PRO 292 Cb 1.22 -0.05 -0.18 0.00 0.11 0.00 0.00 31.00 32.10 3h44 h PRO 292 CO 0.72 0.15 -0.22 -0.06 -0.21 0.00 0.00 178.00 178.38 3h44 s PHE 293 N -5.23 3.18 0.12 0.65 0.08 -1.26 -1.06 117.98 114.46 3h44 s PHE 293 Ca -0.06 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 56.78 3h44 s PHE 293 Cb 0.19 -2.83 0.02 0.00 -0.57 0.00 0.00 43.02 39.83 3h44 s PHE 293 CO 0.73 -0.60 0.13 1.04 -0.10 0.00 0.00 175.22 176.42 3h44 n GLN 294 N 5.55 1.10 -0.25 0.44 1.13 -1.26 -4.95 117.38 119.15 3h44 n GLN 294 Ca -0.08 -0.71 -0.06 0.00 -1.94 0.00 0.00 57.00 54.22 3h44 n GLN 294 Cb 0.48 0.01 -0.01 0.00 0.11 0.00 0.00 30.24 30.83 3h44 n GLN 294 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 3h44 h GLU 295 N 0.00 -0.15 0.00 -1.09 4.57 -1.97 -0.21 114.58 115.73 3h44 h GLU 295 Ca -0.07 0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3h44 h GLU 295 Cb 0.27 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 3h44 h GLU 295 CO 0.10 -0.10 -0.02 1.05 -1.18 0.00 0.00 179.01 178.86 3h44 h GLU 296 N -0.15 0.00 -0.24 1.92 9.09 -2.01 -2.65 114.58 120.53 3h44 h GLU 296 Ca 0.23 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.64 3h44 h GLU 296 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.66 3h44 h GLU 296 CO -0.75 0.02 0.00 0.72 0.05 0.00 0.00 179.01 179.05 3h44 n HIS 297 N -3.18 0.32 -4.23 2.06 8.25 -0.10 -4.90 115.22 113.44 3h44 n HIS 297 Ca -0.01 -0.16 -0.23 0.00 -0.26 0.00 0.00 57.72 57.05 3h44 n HIS 297 Cb 0.20 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.24 3h44 n HIS 297 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3h44 s LEU 298 N -1.22 3.18 -1.40 2.41 1.43 -1.00 -4.55 118.68 117.53 3h44 s LEU 298 Ca 0.25 -0.76 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3h44 s LEU 298 Cb 0.13 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.70 3h44 s LEU 298 CO 0.18 -0.16 0.12 0.29 0.23 0.00 0.00 176.35 177.01 3h44 n LYS 299 N -1.01 -1.98 -4.03 1.70 5.02 0.75 -4.95 118.16 113.67 3h44 n LYS 299 Ca -0.05 0.80 -0.30 0.00 -2.02 0.00 0.00 58.31 56.74 3h44 n LYS 299 Cb 0.61 -5.26 -0.06 0.00 -0.02 0.00 0.00 35.03 30.30 3h44 n LYS 299 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3h44 s GLN 300 N -5.00 2.98 -0.06 1.97 -1.52 -1.23 0.34 119.66 117.15 3h44 s GLN 300 Ca 0.06 -0.65 0.04 0.00 -1.95 0.00 0.00 55.36 52.87 3h44 s GLN 300 Cb -0.03 -2.78 -0.00 0.00 -0.22 0.00 0.00 33.01 29.98 3h44 s GLN 300 CO 0.07 0.57 -0.19 -1.17 -0.25 0.00 0.00 175.29 174.33 3h44 s LEU 301 N -2.42 1.92 -0.12 2.90 2.96 0.14 -1.48 118.68 122.58 3h44 s LEU 301 Ca 0.30 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 3h44 s LEU 301 Cb -0.12 -1.07 0.01 0.00 0.50 0.00 0.00 46.19 45.50 3h44 s LEU 301 CO 0.23 0.15 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.89 3h44 s TYR 302 N 0.14 2.50 -0.20 5.38 1.51 0.10 -1.50 117.35 125.28 3h44 s TYR 302 Ca -0.08 -1.16 -0.02 0.00 -1.01 0.00 0.00 57.07 54.80 3h44 s TYR 302 Cb -0.13 -1.70 -0.01 0.00 -0.11 0.00 0.00 41.96 40.01 3h44 s TYR 302 CO 0.04 -0.52 -0.08 0.15 -1.11 0.00 0.00 175.55 174.03 3h44 s LYS 303 N 0.67 3.34 -0.05 -0.62 1.02 -0.76 0.78 119.74 124.11 3h44 s LYS 303 Ca -0.11 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.23 3h44 s LYS 303 Cb -0.16 -2.87 0.02 0.00 -0.52 0.00 0.00 37.83 34.29 3h44 s LYS 303 CO 0.02 -0.10 -0.08 0.42 -0.92 0.00 0.00 175.35 174.69 3h44 s ILE 304 N 1.20 0.77 -0.26 2.17 1.01 -0.22 -1.07 121.20 124.80 3h44 s ILE 304 Ca 0.02 -0.28 -0.25 0.00 0.00 0.00 0.00 60.65 60.14 3h44 s ILE 304 Cb -0.14 -0.74 -0.00 0.00 0.01 0.00 0.00 42.46 41.59 3h44 s ILE 304 CO -0.03 0.27 0.85 -0.69 0.00 0.00 0.00 174.94 175.34 3h44 s VAL 305 N 0.68 4.79 0.74 2.92 1.01 -0.44 -1.74 120.40 128.36 3h44 s VAL 305 Ca -0.11 1.52 -0.12 0.00 0.00 0.00 0.00 61.98 63.27 3h44 s VAL 305 Cb -0.14 -4.16 0.04 0.00 0.00 0.00 0.00 36.38 32.12 3h44 s VAL 305 CO 0.01 -0.15 1.12 -2.16 0.00 0.00 0.00 175.10 173.93 3h44 s PRO 306 N 2.95 2.55 -0.07 2.72 0.04 -1.26 -4.53 135.00 137.40 3h44 s PRO 306 Ca 0.36 0.35 -0.04 0.00 0.04 0.00 0.00 61.00 61.71 3h44 s PRO 306 Cb -0.15 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 3h44 s PRO 306 CO 0.09 -1.23 0.16 0.82 0.04 0.00 0.00 177.00 176.88 3h44 h ILE 307 N -0.80 0.00 -3.59 0.56 1.08 -1.95 -3.46 117.51 109.34 3h44 h ILE 307 Ca -0.45 -0.78 -0.48 0.00 -0.39 0.00 0.00 64.86 62.75 3h44 h ILE 307 Cb 1.28 0.00 0.21 0.00 -3.07 0.00 0.00 36.82 35.24 3h44 h ILE 307 CO 0.64 0.00 -0.07 0.29 -0.69 0.00 0.00 178.15 178.32 3h44 n LYS 308 N -4.52 -1.34 -2.77 2.37 5.02 -1.26 -4.93 118.16 110.73 3h44 n LYS 308 Ca -0.02 -0.35 -0.43 0.00 -2.02 0.00 0.00 58.31 55.50 3h44 n LYS 308 Cb 0.05 -2.18 -0.01 0.00 -0.02 0.00 0.00 35.03 32.87 3h44 n LYS 308 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3h44 s ASP 309 N -2.41 6.78 0.12 4.39 2.15 -1.26 -4.85 116.67 121.60 3h44 s ASP 309 Ca 0.66 -2.29 0.07 0.00 0.43 0.00 0.00 52.55 51.41 3h44 s ASP 309 Cb -0.23 -2.48 -0.04 0.00 -0.30 0.00 0.00 42.92 39.87 3h44 s ASP 309 CO 0.63 -1.09 -0.17 0.27 -0.17 0.00 0.00 175.17 174.63 3h44 s ILE 310 N 3.22 1.57 -0.27 4.11 -4.36 -1.26 -4.83 121.20 119.38 3h44 s ILE 310 Ca 0.44 -1.69 -0.00 0.00 -0.26 0.00 0.00 60.65 59.14 3h44 s ILE 310 Cb -0.01 -1.59 0.08 0.00 1.25 0.00 0.00 42.46 42.19 3h44 s ILE 310 CO -0.03 -0.26 0.04 -0.13 0.24 0.00 0.00 174.94 174.80 3h44 s ARG 311 N -2.39 1.07 0.03 0.37 0.52 -1.25 -4.10 118.95 113.20 3h44 s ARG 311 Ca 0.09 -1.03 0.03 0.00 -0.52 0.00 0.00 55.73 54.30 3h44 s ARG 311 Cb -0.07 -2.35 -0.02 0.00 0.52 0.00 0.00 34.95 33.03 3h44 s ARG 311 CO 0.04 -0.80 -0.08 -0.80 0.02 0.00 0.00 175.30 173.68 3h44 s ASN 312 N 1.50 0.96 -0.19 0.23 0.01 -0.66 -0.49 114.94 116.31 3h44 s ASN 312 Ca 0.03 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 51.75 3h44 s ASN 312 Cb -0.18 -0.01 0.01 0.00 0.41 0.00 0.00 41.25 41.48 3h44 s ASN 312 CO -0.14 -0.10 -0.17 -0.22 -1.51 0.00 0.00 177.10 174.96 3h44 s LEU 313 N -1.19 2.29 -0.34 0.60 2.96 0.24 -0.36 118.68 122.89 3h44 s LEU 313 Ca -0.05 -0.59 -0.05 0.00 -0.22 0.00 0.00 54.13 53.21 3h44 s LEU 313 Cb -0.08 -1.53 0.05 0.00 0.50 0.00 0.00 46.19 45.13 3h44 s LEU 313 CO 0.01 0.00 0.09 -0.31 -1.32 0.00 0.00 176.35 174.82 3h44 s TYR 314 N 1.30 3.27 -0.18 5.38 2.02 0.16 -1.61 117.35 127.69 3h44 s TYR 314 Ca 0.04 -1.57 -0.06 0.00 -0.37 0.00 0.00 57.07 55.11 3h44 s TYR 314 Cb -0.13 -2.31 -0.03 0.00 -0.40 0.00 0.00 41.96 39.08 3h44 s TYR 314 CO -0.10 -0.76 0.03 0.08 -1.57 0.00 0.00 175.55 173.22 3h44 s VAL 315 N 1.36 4.37 -0.04 0.71 1.01 -0.45 -0.16 120.40 127.20 3h44 s VAL 315 Ca -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 3h44 s VAL 315 Cb -0.20 -2.96 0.03 0.00 0.00 0.00 0.00 36.38 33.25 3h44 s VAL 315 CO 0.02 0.45 0.09 0.28 0.00 0.00 0.00 175.10 175.94 3h44 s THR 316 N 0.56 -0.04 -0.05 3.92 -1.32 -0.07 -1.01 115.64 117.64 3h44 s THR 316 Ca 0.01 0.13 0.06 0.00 -1.21 0.00 0.00 61.69 60.69 3h44 s THR 316 Cb -0.13 -0.15 -0.02 0.00 -1.51 0.00 0.00 72.50 70.69 3h44 s THR 316 CO 0.02 0.05 -0.24 -0.36 -2.21 0.00 0.00 174.62 171.88 3h44 s PHE 317 N 0.78 2.43 0.34 9.09 0.40 0.12 -0.73 117.98 130.41 3h44 s PHE 317 Ca -0.06 -0.58 -0.27 0.00 -0.60 0.00 0.00 56.93 55.42 3h44 s PHE 317 Cb -0.08 -1.57 -0.09 0.00 0.51 0.00 0.00 43.02 41.78 3h44 s PHE 317 CO -0.03 -0.12 1.08 -1.25 0.70 0.00 0.00 175.22 175.59 3h44 s PRO 318 N -0.35 4.41 0.05 0.24 0.04 -1.26 -0.09 135.00 138.03 3h44 s PRO 318 Ca 0.02 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 3h44 s PRO 318 Cb -0.12 -2.89 -0.02 0.00 0.04 0.00 0.00 34.50 31.50 3h44 s PRO 318 CO 0.02 0.04 0.04 0.96 0.04 0.00 0.00 177.00 178.10 3h44 s ILE 319 N -1.38 0.17 0.65 0.56 -4.36 -0.48 -4.83 121.20 111.52 3h44 s ILE 319 Ca 0.51 -1.39 -0.18 0.00 -0.26 0.00 0.00 60.65 59.33 3h44 s ILE 319 Cb -0.28 -1.15 -0.01 0.00 1.25 0.00 0.00 42.46 42.28 3h44 s ILE 319 CO 0.35 -0.77 1.25 -2.16 0.24 0.00 0.00 174.94 173.85 3h44 s PRO 320 N -3.20 2.60 -0.42 0.37 0.04 -1.26 -1.99 135.00 131.14 3h44 s PRO 320 Ca 0.00 1.92 -0.32 0.00 0.04 0.00 0.00 61.00 62.64 3h44 s PRO 320 Cb 0.03 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.59 3h44 s PRO 320 CO -0.07 -1.52 2.29 -3.47 0.04 0.00 0.00 177.00 174.26 3h44 n ASP 321 N -1.98 2.16 0.00 6.66 4.64 -1.22 -4.38 116.55 122.43 3h44 n ASP 321 Ca 0.15 0.19 0.15 0.00 -1.38 0.00 0.00 54.79 53.89 3h44 n ASP 321 Cb 0.49 -1.33 0.88 0.00 -1.04 0.00 0.00 41.12 40.12 3h44 n ASP 321 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3h44 n LEU 322 N 11.32 0.00 -0.17 -2.67 4.77 -1.26 -4.31 117.00 124.68 3h44 n LEU 322 Ca 0.41 0.04 -0.03 0.00 -0.03 0.00 0.00 56.01 56.41 3h44 n LEU 322 Cb 0.30 -0.04 0.04 0.00 -2.33 0.00 0.00 43.42 41.39 3h44 n LEU 322 CO 0.75 -0.00 0.77 -0.61 -1.33 0.00 0.00 177.39 176.97 3h44 h GLN 323 N 0.00 0.01 0.00 3.23 5.75 -1.98 -1.89 115.11 120.24 3h44 h GLN 323 Ca 0.00 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3h44 h GLN 323 Cb 0.04 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.58 3h44 h GLN 323 CO 0.00 0.01 -0.00 1.57 -2.65 0.00 0.00 178.83 177.76 3h44 h LYS 324 N 0.01 0.00 -0.92 1.69 2.10 -2.00 0.75 116.57 118.20 3h44 h LYS 324 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 3h44 h LYS 324 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 3h44 h LYS 324 CO -0.52 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 177.59 3h44 n TYR 325 N -4.34 0.24 -0.34 0.07 4.01 -0.71 -4.55 117.16 111.54 3h44 n TYR 325 Ca -0.03 -0.08 0.29 0.00 -0.16 0.00 0.00 57.90 57.92 3h44 n TYR 325 Cb 0.09 -0.14 0.61 0.00 -0.31 0.00 0.00 39.34 39.59 3h44 n TYR 325 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 3h44 h TYR 326 N 0.47 0.40 0.00 -0.72 -0.00 -0.95 0.20 116.97 116.38 3h44 h TYR 326 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 58.73 58.64 3h44 h TYR 326 Cb 0.66 -0.11 -0.01 0.00 0.00 0.00 0.00 36.73 37.26 3h44 h TYR 326 CO 0.13 0.01 -0.49 1.57 -0.00 0.00 0.00 178.16 179.37 3h44 h LYS 327 N 0.21 0.00 0.00 0.10 2.10 -1.86 -3.14 116.57 113.99 3h44 h LYS 327 Ca 0.61 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.95 3h44 h LYS 327 Cb 1.92 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 33.19 3h44 h LYS 327 CO -0.20 0.49 -2.01 -1.13 -2.00 0.00 0.00 179.45 174.59 3h44 n SER 328 N -3.48 0.44 -3.71 7.07 3.41 -0.46 -0.80 113.62 116.10 3h44 n SER 328 Ca 0.00 0.21 -0.29 0.00 -0.26 0.00 0.00 58.87 58.53 3h44 n SER 328 Cb 0.61 0.51 0.02 0.00 -0.26 0.00 0.00 64.21 65.09 3h44 n SER 328 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3h44 n ASN 329 N -2.87 -5.29 0.23 4.04 4.05 0.58 -4.76 115.26 111.24 3h44 n ASN 329 Ca -0.24 -0.94 0.07 0.00 0.45 0.00 0.00 54.58 53.93 3h44 n ASN 329 Cb 1.07 -2.81 0.61 0.00 1.23 0.00 0.00 39.78 39.88 3h44 n ASN 329 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3h44 h PRO 330 N -1.30 0.05 -0.66 1.20 0.13 -1.92 -2.57 132.00 126.93 3h44 h PRO 330 Ca -0.58 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.49 3h44 h PRO 330 Cb 1.33 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 3h44 h PRO 330 CO 0.43 0.05 0.21 0.78 -0.23 0.00 0.00 178.00 179.24 3h44 h GLY 331 N 0.09 1.10 0.85 1.56 0.00 -1.94 -2.19 103.07 102.54 3h44 h GLY 331 Ca 0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.65 3h44 h GLY 331 CO -0.00 0.61 -0.00 0.84 0.00 0.00 0.00 176.54 177.98 3h44 h HIS 332 N 0.96 0.47 -0.48 5.60 6.17 -1.84 -1.32 115.15 124.71 3h44 h HIS 332 Ca 0.21 -0.08 0.10 0.00 0.71 0.00 0.00 60.37 61.31 3h44 h HIS 332 Cb 0.29 -0.12 -0.10 0.00 2.52 0.00 0.00 27.41 30.00 3h44 h HIS 332 CO 0.02 0.60 -0.20 -0.92 0.71 0.00 0.00 177.93 178.14 3h44 h TYR 333 N 0.20 -0.49 -0.20 5.26 3.20 -1.34 0.55 116.97 124.15 3h44 h TYR 333 Ca 0.07 0.05 -0.20 0.00 3.14 0.00 0.00 58.73 61.79 3h44 h TYR 333 Cb 0.42 0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.98 3h44 h TYR 333 CO 0.04 -0.29 -0.66 -0.07 -1.64 0.00 0.00 178.16 175.54 3h44 h LEU 334 N -0.09 0.85 -1.43 2.82 3.38 -1.25 -2.50 115.31 117.09 3h44 h LEU 334 Ca 0.23 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3h44 h LEU 334 Cb 0.45 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3h44 h LEU 334 CO -0.54 1.28 0.16 1.23 0.09 0.00 0.00 178.44 180.67 3h44 h GLY 335 N 0.78 0.58 1.01 0.83 0.00 -0.93 -0.83 103.07 104.51 3h44 h GLY 335 Ca -0.02 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 3h44 h GLY 335 CO 0.13 0.26 0.15 0.84 0.00 0.00 0.00 176.54 177.92 3h44 h HIS 336 N 0.54 0.99 0.22 5.60 -0.00 -0.44 0.17 115.15 122.23 3h44 h HIS 336 Ca 0.14 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 3h44 h HIS 336 Cb 0.10 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.23 3h44 h HIS 336 CO 0.00 0.84 -0.11 -0.07 -0.00 0.00 0.00 177.93 178.60 3h44 h LEU 337 N 0.86 -0.25 -1.24 0.26 -0.00 -1.26 -2.35 115.31 111.32 3h44 h LEU 337 Ca 0.19 -0.25 0.16 0.00 -0.00 0.00 0.00 57.88 57.97 3h44 h LEU 337 Cb 0.34 0.06 -0.08 0.00 -0.00 0.00 0.00 40.66 40.98 3h44 h LEU 337 CO 0.00 0.27 0.59 0.40 -0.00 0.00 0.00 178.44 179.70 3h44 h ILE 338 N -0.92 0.80 -0.13 1.22 1.08 -1.23 -1.80 117.51 116.52 3h44 h ILE 338 Ca -0.03 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 3h44 h ILE 338 Cb 0.49 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 3h44 h ILE 338 CO 0.05 0.13 0.00 0.61 -0.69 0.00 0.00 178.15 178.25 3h44 n GLY 339 N -1.42 0.49 3.76 5.37 0.00 0.60 -4.73 105.19 109.26 3h44 n GLY 339 Ca 0.19 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 3h44 n GLY 339 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3h44 s HIS 340 N -1.84 2.41 -0.28 1.61 5.04 -0.68 -4.86 115.29 116.69 3h44 s HIS 340 Ca 0.34 1.38 0.05 0.00 -1.54 0.00 0.00 55.06 55.29 3h44 s HIS 340 Cb 0.20 -3.76 -0.05 0.00 0.04 0.00 0.00 32.58 29.01 3h44 s HIS 340 CO 0.30 -2.69 0.26 0.39 -2.34 0.00 0.00 174.74 170.65 3h44 n GLU 341 N -0.77 4.85 -0.59 2.88 1.02 -1.26 -4.27 120.64 122.50 3h44 n GLU 341 Ca 0.09 -0.07 -0.10 0.00 -0.02 0.00 0.00 57.16 57.06 3h44 n GLU 341 Cb 0.45 -0.77 0.07 0.00 -0.02 0.00 0.00 31.44 31.17 3h44 n GLU 341 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h44 n GLY 342 N 1.06 -1.56 3.65 0.62 0.00 -1.26 -4.53 105.19 103.16 3h44 n GLY 342 Ca 0.01 -1.63 -0.50 0.00 0.00 0.00 0.00 46.02 43.90 3h44 n GLY 342 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h44 n PRO 343 N -2.13 1.70 -0.01 1.61 -0.02 -1.26 -1.82 135.00 133.06 3h44 n PRO 343 Ca 0.06 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3h44 n PRO 343 Cb 0.20 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 3h44 n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h44 n GLY 344 N 3.33 0.71 3.81 -1.23 0.00 -1.26 -4.69 105.19 105.86 3h44 n GLY 344 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 3h44 n GLY 344 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h44 s SER 345 N -2.51 6.26 0.22 1.61 1.04 -0.75 -1.92 113.70 117.65 3h44 s SER 345 Ca 0.00 1.84 -0.10 0.00 0.48 0.00 0.00 55.95 58.17 3h44 s SER 345 Cb 0.00 -2.54 0.34 0.00 0.10 0.00 0.00 66.02 63.91 3h44 s SER 345 CO 0.00 -0.84 1.65 0.25 0.98 0.00 0.00 173.24 175.28 3h44 h LEU 346 N 1.19 -0.31 -0.29 2.42 5.85 -1.86 -0.62 115.31 121.68 3h44 h LEU 346 Ca -0.48 0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.47 3h44 h LEU 346 Cb 1.21 0.30 -0.07 0.00 0.37 0.00 0.00 40.66 42.48 3h44 h LEU 346 CO 0.59 -0.14 -0.16 0.25 -0.34 0.00 0.00 178.44 178.64 3h44 h LEU 347 N 0.11 -0.53 -0.84 2.25 6.46 -1.85 -2.16 115.31 118.75 3h44 h LEU 347 Ca 0.35 0.12 0.17 0.00 -0.12 0.00 0.00 57.88 58.40 3h44 h LEU 347 Cb 0.58 0.28 -0.11 0.00 -0.73 0.00 0.00 40.66 40.69 3h44 h LEU 347 CO -0.58 -0.19 0.38 -1.28 -0.62 0.00 0.00 178.44 176.15 3h44 h SER 348 N -0.12 0.39 0.00 1.25 0.87 -1.36 -0.90 113.55 113.68 3h44 h SER 348 Ca 0.15 0.12 -0.14 0.00 -1.23 0.00 0.00 61.79 60.69 3h44 h SER 348 Cb 0.35 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3h44 h SER 348 CO -0.37 0.11 -0.47 -0.08 -0.53 0.00 0.00 176.83 175.49 3h44 h GLU 349 N 0.49 0.54 0.00 2.24 4.57 -1.04 -2.25 114.58 119.13 3h44 h GLU 349 Ca 0.49 -0.30 -0.10 0.00 -1.18 0.00 0.00 59.36 58.26 3h44 h GLU 349 Cb 0.80 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 3h44 h GLU 349 CO -0.44 0.90 -0.48 -0.07 -1.18 0.00 0.00 179.01 177.74 3h44 h LEU 350 N 0.44 0.00 -0.00 1.64 3.38 -0.62 -1.39 115.31 118.75 3h44 h LEU 350 Ca 0.03 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 3h44 h LEU 350 Cb 0.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3h44 h LEU 350 CO 0.09 0.48 -1.03 0.50 0.09 0.00 0.00 178.44 178.57 3h44 h LYS 351 N 0.00 0.05 -0.20 1.13 3.64 -1.18 0.96 116.57 120.98 3h44 h LYS 351 Ca -0.00 -0.09 -0.19 0.00 -1.27 0.00 0.00 60.65 59.10 3h44 h LYS 351 Cb 1.01 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 3h44 h LYS 351 CO 0.06 1.03 -0.64 0.77 -2.27 0.00 0.00 179.45 178.40 3h44 h SER 352 N 0.02 0.81 0.00 4.20 0.02 -1.06 -1.58 113.55 115.96 3h44 h SER 352 Ca -0.03 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3h44 h SER 352 Cb 1.78 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.09 3h44 h SER 352 CO 0.14 1.25 0.00 0.29 -1.14 0.00 0.00 176.83 177.37 3h44 n LYS 353 N -3.95 0.77 -3.60 3.45 5.02 -0.55 -4.89 118.16 114.41 3h44 n LYS 353 Ca -0.05 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.04 3h44 n LYS 353 Cb 0.67 -1.27 0.06 0.00 -0.02 0.00 0.00 35.03 34.46 3h44 n LYS 353 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h44 n GLY 354 N 0.42 -0.33 0.06 0.72 0.00 -0.59 -4.95 105.19 100.52 3h44 n GLY 354 Ca 0.10 0.12 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 3h44 n GLY 354 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3h44 n TRP 355 N -4.25 0.00 -4.06 1.61 8.01 0.32 -4.10 117.44 114.97 3h44 n TRP 355 Ca -0.27 0.00 -0.07 0.00 -1.31 0.00 0.00 57.50 55.84 3h44 n TRP 355 Cb 0.67 -0.49 -0.10 0.00 -2.01 0.00 0.00 31.31 29.37 3h44 n TRP 355 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.69 176.82 3h44 s VAL 356 N -2.26 0.20 -0.11 -0.99 -7.23 -1.16 -1.34 120.40 107.51 3h44 s VAL 356 Ca -0.17 -1.61 0.06 0.00 -1.81 0.00 0.00 61.98 58.45 3h44 s VAL 356 Cb 0.04 -1.28 -0.11 0.00 0.56 0.00 0.00 36.38 35.60 3h44 s VAL 356 CO 0.30 -0.89 -0.03 0.59 -0.31 0.00 0.00 175.10 174.77 3h44 n ASN 357 N 0.38 2.72 -4.10 4.85 3.02 -1.26 -3.94 115.26 116.94 3h44 n ASN 357 Ca -0.16 -0.03 -0.12 0.00 -0.03 0.00 0.00 54.58 54.25 3h44 n ASN 357 Cb 0.60 0.36 -0.11 0.00 -0.61 0.00 0.00 39.78 40.02 3h44 n ASN 357 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3h44 s THR 358 N -2.25 0.55 -0.14 3.41 -4.23 -1.26 -5.01 115.64 106.71 3h44 s THR 358 Ca -0.10 -1.42 -0.07 0.00 -1.18 0.00 0.00 61.69 58.92 3h44 s THR 358 Cb 0.04 -1.02 0.05 0.00 1.34 0.00 0.00 72.50 72.90 3h44 s THR 358 CO 0.36 -0.60 0.33 -0.22 -0.54 0.00 0.00 174.62 173.95 3h44 s LEU 359 N -2.17 0.17 0.03 4.79 0.20 -1.26 -2.89 118.68 117.55 3h44 s LEU 359 Ca -0.02 0.71 0.08 0.00 0.69 0.00 0.00 54.13 55.59 3h44 s LEU 359 Cb -0.04 1.04 -0.03 0.00 -0.43 0.00 0.00 46.19 46.74 3h44 s LEU 359 CO -0.02 -0.18 -0.24 0.68 -0.29 0.00 0.00 176.35 176.30 3h44 s VAL 360 N 1.30 1.93 0.16 1.68 -7.23 -0.06 -4.98 120.40 113.20 3h44 s VAL 360 Ca -0.09 -1.25 -0.12 0.00 -1.81 0.00 0.00 61.98 58.71 3h44 s VAL 360 Cb -0.09 -1.65 0.01 0.00 0.56 0.00 0.00 36.38 35.21 3h44 s VAL 360 CO -0.10 0.35 0.35 -0.83 -0.31 0.00 0.00 175.10 174.56 3h44 s GLY 361 N -1.08 0.19 0.00 2.32 0.00 -1.26 -0.05 107.32 107.44 3h44 s GLY 361 Ca 0.10 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.24 3h44 s GLY 361 CO 0.01 -0.61 0.00 0.61 0.00 0.00 0.00 173.10 173.11 3h44 n GLY 362 N -0.23 0.50 3.84 0.20 0.00 -0.60 -4.61 105.19 104.29 3h44 n GLY 362 Ca -0.10 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.38 3h44 n GLY 362 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3h44 s GLN 363 N -0.59 4.03 -0.05 1.61 -2.07 -1.26 -1.07 119.66 120.26 3h44 s GLN 363 Ca 0.00 0.56 0.06 0.00 -1.82 0.00 0.00 55.36 54.17 3h44 s GLN 363 Cb 0.00 -2.88 -0.01 0.00 -1.09 0.00 0.00 33.01 29.03 3h44 s GLN 363 CO 0.00 0.44 -0.24 0.21 -1.32 0.00 0.00 175.29 174.37 3h44 s LYS 364 N -2.06 2.45 0.79 9.60 2.20 0.34 -4.92 119.74 128.14 3h44 s LYS 364 Ca 0.40 -0.89 -0.13 0.00 -0.36 0.00 0.00 55.97 54.99 3h44 s LYS 364 Cb -0.15 -2.16 0.08 0.00 -1.51 0.00 0.00 37.83 34.09 3h44 s LYS 364 CO 0.20 0.45 1.18 -1.21 -0.36 0.00 0.00 175.35 175.60 3h44 s GLU 365 N -0.32 1.78 0.00 4.03 2.02 -1.26 -1.64 118.70 123.31 3h44 s GLU 365 Ca 0.01 1.66 0.00 0.00 0.02 0.00 0.00 54.97 56.66 3h44 s GLU 365 Cb -0.13 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.30 3h44 s GLU 365 CO 0.02 -2.09 0.00 0.41 0.02 0.00 0.00 175.26 173.63 3h44 n GLY 366 N 0.23 1.26 1.55 -1.39 0.00 -1.19 -4.61 105.19 101.03 3h44 n GLY 366 Ca 0.13 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 3h44 n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h44 n ALA 367 N -3.00 -0.09 -1.66 4.61 0.00 -0.70 -4.95 120.51 114.72 3h44 n ALA 367 Ca 0.00 -0.77 -0.43 0.00 0.00 0.00 0.00 53.44 52.23 3h44 n ALA 367 Cb 0.00 0.62 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 3h44 n ALA 367 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h44 n ARG 368 N -0.27 2.67 0.00 0.00 1.74 -1.26 -2.25 116.66 117.28 3h44 n ARG 368 Ca 0.01 0.96 0.00 0.00 -0.77 0.00 0.00 57.85 58.05 3h44 n ARG 368 Cb 0.27 -2.96 0.00 0.00 -1.02 0.00 0.00 32.46 28.76 3h44 n ARG 368 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h44 n GLY 369 N 4.63 1.25 3.10 -0.13 0.00 -1.26 -1.26 105.19 111.52 3h44 n GLY 369 Ca 0.21 -0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 3h44 n GLY 369 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h44 s PHE 370 N -1.64 0.21 0.35 1.61 -0.12 -0.95 -3.41 117.98 114.01 3h44 s PHE 370 Ca 0.00 -0.49 -0.01 0.00 -0.05 0.00 0.00 56.93 56.38 3h44 s PHE 370 Cb 0.00 -0.15 -0.00 0.00 -0.63 0.00 0.00 43.02 42.24 3h44 s PHE 370 CO 0.00 -0.33 0.46 -1.64 -0.05 0.00 0.00 175.22 173.66 3h44 s MET 371 N -2.37 1.91 0.08 1.99 -1.94 -0.84 -1.73 119.30 116.40 3h44 s MET 371 Ca -0.07 -1.80 0.03 0.00 -1.71 0.00 0.00 55.69 52.14 3h44 s MET 371 Cb -0.03 0.43 -0.03 0.00 2.01 0.00 0.00 34.83 37.21 3h44 s MET 371 CO -0.04 -0.79 -0.09 -0.06 -0.01 0.00 0.00 175.02 174.04 3h44 s PHE 372 N -3.06 0.89 -0.07 -0.03 0.40 -0.65 -1.38 117.98 114.09 3h44 s PHE 372 Ca 0.32 -0.67 0.03 0.00 -0.60 0.00 0.00 56.93 56.01 3h44 s PHE 372 Cb -0.00 -0.51 0.01 0.00 0.51 0.00 0.00 43.02 43.03 3h44 s PHE 372 CO 0.21 -0.07 -0.14 0.12 0.70 0.00 0.00 175.22 176.05 3h44 s PHE 373 N -2.36 1.61 0.01 0.36 2.19 0.87 -0.50 117.98 120.15 3h44 s PHE 373 Ca 0.02 -0.60 0.05 0.00 0.33 0.00 0.00 56.93 56.73 3h44 s PHE 373 Cb -0.03 -1.16 -0.02 0.00 -1.31 0.00 0.00 43.02 40.50 3h44 s PHE 373 CO -0.01 -0.29 -0.17 0.96 1.83 0.00 0.00 175.22 177.54 3h44 s ILE 374 N 0.60 1.33 -0.15 3.12 -5.25 -0.23 0.15 121.20 120.76 3h44 s ILE 374 Ca -0.15 -0.88 0.00 0.00 -0.99 0.00 0.00 60.65 58.64 3h44 s ILE 374 Cb -0.16 -1.14 0.03 0.00 2.95 0.00 0.00 42.46 44.14 3h44 s ILE 374 CO 0.04 0.25 -0.11 -0.63 -1.79 0.00 0.00 174.94 172.69 3h44 s ILE 375 N -0.58 1.45 -0.07 8.37 1.01 -0.18 -1.56 121.20 129.64 3h44 s ILE 375 Ca 0.05 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.09 3h44 s ILE 375 Cb -0.07 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.98 3h44 s ILE 375 CO 0.00 0.36 -0.15 0.20 0.00 0.00 0.00 174.94 175.35 3h44 s ASN 376 N 1.52 2.09 0.19 3.58 0.01 0.93 -1.34 114.94 121.93 3h44 s ASN 376 Ca 0.03 -0.36 0.08 0.00 -0.71 0.00 0.00 52.86 51.90 3h44 s ASN 376 Cb -0.14 -0.96 -0.04 0.00 0.41 0.00 0.00 41.25 40.52 3h44 s ASN 376 CO -0.10 0.07 -0.15 0.68 -1.51 0.00 0.00 177.10 176.09 3h44 s VAL 377 N 0.58 1.73 0.85 1.60 -7.23 -0.63 -0.88 120.40 116.41 3h44 s VAL 377 Ca -0.16 -2.09 -0.08 0.00 -1.81 0.00 0.00 61.98 57.84 3h44 s VAL 377 Cb -0.16 -1.95 0.18 0.00 0.56 0.00 0.00 36.38 35.01 3h44 s VAL 377 CO 0.05 -0.51 1.17 1.51 -0.31 0.00 0.00 175.10 177.01 3h44 s ASP 378 N -3.07 3.62 -0.05 4.85 3.84 -1.14 -0.59 116.67 124.13 3h44 s ASP 378 Ca 0.20 -0.16 -0.02 0.00 -0.00 0.00 0.00 52.55 52.57 3h44 s ASP 378 Cb -0.02 0.01 0.03 0.00 -1.38 0.00 0.00 42.92 41.56 3h44 s ASP 378 CO 0.06 -2.37 0.08 -0.76 -0.00 0.00 0.00 175.17 172.19 3h44 s LEU 379 N -5.53 0.44 0.71 2.11 1.43 0.36 -4.37 118.68 113.83 3h44 s LEU 379 Ca 0.71 0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.83 3h44 s LEU 379 Cb -0.04 0.02 0.02 0.00 0.03 0.00 0.00 46.19 46.22 3h44 s LEU 379 CO 0.49 -0.20 1.09 0.42 0.23 0.00 0.00 176.35 178.37 3h44 s THR 380 N 1.76 3.50 0.32 5.49 -4.23 -0.45 -4.67 115.64 117.35 3h44 s THR 380 Ca -0.01 0.56 0.09 0.00 -1.18 0.00 0.00 61.69 61.16 3h44 s THR 380 Cb -0.12 -3.11 0.31 0.00 1.34 0.00 0.00 72.50 70.92 3h44 s THR 380 CO -0.04 -0.56 1.73 -0.33 -0.54 0.00 0.00 174.62 174.88 3h44 h GLU 381 N -0.56 0.57 0.26 3.99 5.08 -1.91 0.30 114.58 122.31 3h44 h GLU 381 Ca -0.45 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 3h44 h GLU 381 Cb 1.23 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3h44 h GLU 381 CO 0.54 0.38 -0.13 1.49 -1.00 0.00 0.00 179.01 180.29 3h44 h GLU 382 N 0.59 -0.34 -0.98 2.33 4.57 -1.91 -3.05 114.58 115.79 3h44 h GLU 382 Ca 0.64 0.02 0.17 0.00 -1.18 0.00 0.00 59.36 59.01 3h44 h GLU 382 Cb 1.21 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 29.78 3h44 h GLU 382 CO -0.47 -0.15 0.61 0.78 -1.18 0.00 0.00 179.01 178.60 3h44 h GLY 383 N -0.46 1.57 1.21 1.92 0.00 -0.61 -0.26 103.07 106.44 3h44 h GLY 383 Ca -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3h44 h GLY 383 CO 0.06 0.03 0.45 -2.00 0.00 0.00 0.00 176.54 175.08 3h44 h LEU 384 N 0.78 0.93 0.00 3.11 5.85 -0.96 0.22 115.31 125.24 3h44 h LEU 384 Ca 0.53 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.19 3h44 h LEU 384 Cb 0.80 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3h44 h LEU 384 CO -0.30 0.72 0.00 0.18 -0.34 0.00 0.00 178.44 178.70 3h44 n LEU 385 N -4.37 0.00 -1.76 2.25 4.77 -0.14 -3.85 117.00 113.89 3h44 n LEU 385 Ca 0.08 0.45 -0.07 0.00 -0.03 0.00 0.00 56.01 56.44 3h44 n LEU 385 Cb 0.07 -0.45 0.07 0.00 -2.33 0.00 0.00 43.42 40.79 3h44 n LEU 385 CO 0.37 -0.20 0.16 1.41 -1.33 0.00 0.00 177.39 177.81 3h44 n HIS 386 N -1.45 1.29 0.01 -1.77 8.25 0.76 -4.89 115.22 117.43 3h44 n HIS 386 Ca 0.05 -1.75 -0.13 0.00 -0.26 0.00 0.00 57.72 55.63 3h44 n HIS 386 Cb 0.17 -0.26 -0.09 0.00 1.12 0.00 0.00 29.99 30.93 3h44 n HIS 386 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3h44 h VAL 387 N 3.40 1.27 -0.84 1.59 2.07 -1.62 -1.95 116.25 120.17 3h44 h VAL 387 Ca 0.07 -0.90 0.21 0.00 0.82 0.00 0.00 66.70 66.90 3h44 h VAL 387 Cb 1.40 1.87 -0.14 0.00 -1.52 0.00 0.00 31.29 32.90 3h44 h VAL 387 CO 0.33 0.23 0.17 -0.08 0.02 0.00 0.00 177.57 178.24 3h44 h GLU 388 N -0.42 0.18 0.04 1.57 4.81 -1.92 -1.30 114.58 117.54 3h44 h GLU 388 Ca -0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3h44 h GLU 388 Cb 0.40 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3h44 h GLU 388 CO 0.00 0.12 -0.02 -0.44 -0.73 0.00 0.00 179.01 177.94 3h44 h ASP 389 N 0.18 -0.05 -0.38 1.04 3.32 -1.88 -1.55 116.42 117.11 3h44 h ASP 389 Ca 0.51 -0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.59 3h44 h ASP 389 Cb 0.98 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.46 3h44 h ASP 389 CO -0.65 0.01 -0.16 0.40 -1.72 0.00 0.00 179.24 177.12 3h44 h ILE 390 N -0.10 0.50 -0.28 0.35 2.04 -0.52 -0.05 117.51 119.45 3h44 h ILE 390 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 3h44 h ILE 390 Cb 0.09 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 3h44 h ILE 390 CO 0.01 0.00 0.08 0.40 0.00 0.00 0.00 178.15 178.64 3h44 h ILE 391 N -0.08 0.90 -0.72 -0.67 2.04 -1.06 -1.07 117.51 116.84 3h44 h ILE 391 Ca 0.19 -0.07 0.15 0.00 1.00 0.00 0.00 64.86 66.13 3h44 h ILE 391 Cb 0.37 0.69 -0.10 0.00 -0.74 0.00 0.00 36.82 37.04 3h44 h ILE 391 CO -0.44 0.03 0.21 0.25 0.00 0.00 0.00 178.15 178.20 3h44 h LEU 392 N 0.19 0.09 -1.80 1.44 5.85 -0.30 0.20 115.31 120.99 3h44 h LEU 392 Ca 0.13 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 3h44 h LEU 392 Cb 0.11 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3h44 h LEU 392 CO -0.15 0.01 0.02 0.45 -0.34 0.00 0.00 178.44 178.44 3h44 h HIS 393 N 0.32 0.14 0.78 1.25 3.86 0.13 0.36 115.15 122.00 3h44 h HIS 393 Ca 0.40 -0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.57 3h44 h HIS 393 Cb 0.64 -0.05 0.01 0.00 1.06 0.00 0.00 27.41 29.08 3h44 h HIS 393 CO -0.23 0.14 -0.38 0.52 0.86 0.00 0.00 177.93 178.84 3h44 h MET 394 N 0.15 -1.01 -0.85 2.45 2.86 0.55 -2.31 114.93 116.76 3h44 h MET 394 Ca 0.04 0.07 0.17 0.00 -2.06 0.00 0.00 59.70 57.92 3h44 h MET 394 Cb 0.07 0.23 -0.06 0.00 0.06 0.00 0.00 31.60 31.90 3h44 h MET 394 CO -0.00 -0.67 0.56 0.74 1.06 0.00 0.00 176.91 178.60 3h44 h PHE 395 N -1.23 0.58 -0.25 -0.22 -1.00 -0.95 0.16 116.94 114.03 3h44 h PHE 395 Ca -0.11 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.73 3h44 h PHE 395 Cb 0.80 -0.18 -0.04 0.00 3.61 0.00 0.00 35.95 40.15 3h44 h PHE 395 CO 0.01 0.19 0.02 1.96 -1.61 0.00 0.00 178.31 178.88 3h44 h GLN 396 N 0.47 0.10 -0.68 1.51 4.20 -0.21 0.31 115.11 120.82 3h44 h GLN 396 Ca 0.44 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 59.16 3h44 h GLN 396 Cb 0.98 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.69 3h44 h GLN 396 CO -0.17 0.07 0.43 -0.92 -0.67 0.00 0.00 178.83 177.57 3h44 h TYR 397 N 0.10 0.80 -0.63 2.96 3.20 -0.17 -1.16 116.97 122.09 3h44 h TYR 397 Ca 0.12 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 3h44 h TYR 397 Cb 0.14 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 3h44 h TYR 397 CO -0.18 0.47 0.31 0.82 -1.64 0.00 0.00 178.16 177.94 3h44 h ILE 398 N 0.85 1.21 -0.47 1.81 2.04 -0.60 -1.66 117.51 120.69 3h44 h ILE 398 Ca 0.27 -0.58 0.09 0.00 1.00 0.00 0.00 64.86 65.64 3h44 h ILE 398 Cb -0.01 0.45 -0.08 0.00 -0.74 0.00 0.00 36.82 36.44 3h44 h ILE 398 CO -0.10 0.24 -0.04 1.56 0.00 0.00 0.00 178.15 179.82 3h44 h GLN 399 N 0.86 0.07 -0.72 2.37 1.08 0.44 -0.13 115.11 119.08 3h44 h GLN 399 Ca 0.22 -0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.53 3h44 h GLN 399 Cb 0.10 -0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.42 3h44 h GLN 399 CO -0.03 0.05 0.30 -0.22 -0.95 0.00 0.00 178.83 177.98 3h44 h LYS 400 N 0.07 0.46 -0.20 1.46 1.63 -0.32 0.22 116.57 119.90 3h44 h LYS 400 Ca 0.23 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.96 3h44 h LYS 400 Cb 0.35 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.87 3h44 h LYS 400 CO -0.42 0.30 -0.06 -0.07 -3.45 0.00 0.00 179.45 175.76 3h44 h LEU 401 N 0.47 0.40 -0.37 5.20 3.38 -0.68 -2.50 115.31 121.21 3h44 h LEU 401 Ca 0.38 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3h44 h LEU 401 Cb 0.52 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3h44 h LEU 401 CO -0.36 0.68 0.05 -0.09 0.09 0.00 0.00 178.44 178.82 3h44 h ARG 402 N 0.11 0.17 0.00 1.13 2.43 -0.58 0.80 114.38 118.43 3h44 h ARG 402 Ca 0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3h44 h ARG 402 Cb 0.51 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3h44 h ARG 402 CO 0.02 0.11 0.00 0.00 -1.51 0.00 0.00 179.97 178.59 3h44 n ALA 403 N -2.45 2.13 -1.59 2.80 0.00 0.73 -2.51 120.51 119.62 3h44 n ALA 403 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3h44 n ALA 403 Cb 0.17 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3h44 n ALA 403 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3h44 n GLU 404 N -0.88 0.00 -0.91 0.00 0.28 -0.99 -5.03 120.64 113.12 3h44 n GLU 404 Ca 0.10 -0.39 0.05 0.00 -0.16 0.00 0.00 57.16 56.76 3h44 n GLU 404 Cb 0.05 -0.30 -0.03 0.00 1.43 0.00 0.00 31.44 32.59 3h44 n GLU 404 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3h44 n GLY 405 N 0.00 -1.24 2.62 -1.84 0.00 0.24 -4.83 105.19 100.15 3h44 n GLY 405 Ca 0.00 -0.35 -0.47 0.00 0.00 0.00 0.00 46.02 45.20 3h44 n GLY 405 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3h44 n PRO 406 N -3.28 0.00 -3.57 1.61 -0.02 -1.26 -4.93 135.00 123.55 3h44 n PRO 406 Ca -0.03 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.04 3h44 n PRO 406 Cb 0.24 -1.06 -0.09 0.00 -0.02 0.00 0.00 33.50 32.57 3h44 n PRO 406 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3h44 s GLN 407 N 1.87 2.60 0.28 -0.52 -1.52 -1.26 -4.93 119.66 116.18 3h44 s GLN 407 Ca 0.73 -1.54 -0.03 0.00 -1.95 0.00 0.00 55.36 52.57 3h44 s GLN 407 Cb -1.04 -3.85 0.40 0.00 -0.22 0.00 0.00 33.01 28.30 3h44 s GLN 407 CO 0.56 -1.03 1.93 1.49 -0.25 0.00 0.00 175.29 177.99 3h44 h GLU 408 N 8.45 1.09 -0.96 2.91 4.81 -2.00 -2.32 114.58 126.55 3h44 h GLU 408 Ca -0.23 -0.09 0.13 0.00 -0.13 0.00 0.00 59.36 59.03 3h44 h GLU 408 Cb 1.08 -0.23 -0.09 0.00 0.63 0.00 0.00 28.75 30.15 3h44 h GLU 408 CO 0.80 0.76 0.59 0.11 -0.73 0.00 0.00 179.01 180.53 3h44 h TRP 409 N 1.11 1.06 0.84 0.92 5.08 -1.98 0.37 115.95 123.34 3h44 h TRP 409 Ca 0.29 0.03 -0.04 0.00 1.08 0.00 0.00 58.89 60.25 3h44 h TRP 409 Cb -0.05 -0.33 0.01 0.00 -3.00 0.00 0.00 29.16 25.79 3h44 h TRP 409 CO 0.00 0.39 -0.41 0.28 -1.28 0.00 0.00 178.44 177.43 3h44 h VAL 410 N 0.90 0.00 -0.76 0.12 2.07 -1.85 0.26 116.25 117.00 3h44 h VAL 410 Ca 0.49 -0.05 0.17 0.00 0.82 0.00 0.00 66.70 68.14 3h44 h VAL 410 Cb 0.53 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.17 3h44 h VAL 410 CO -0.28 0.00 0.11 0.15 0.02 0.00 0.00 177.57 177.56 3h44 h PHE 411 N -1.18 0.14 -0.27 1.57 3.57 -1.19 -0.38 116.94 119.20 3h44 h PHE 411 Ca -0.12 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.45 3h44 h PHE 411 Cb 0.87 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.65 3h44 h PHE 411 CO 0.03 -0.17 0.14 0.37 -2.23 0.00 0.00 178.31 176.44 3h44 h GLN 412 N 0.18 0.29 -0.50 1.11 5.75 -0.10 0.33 115.11 122.17 3h44 h GLN 412 Ca 0.43 -0.02 0.09 0.00 -0.15 0.00 0.00 58.65 59.00 3h44 h GLN 412 Cb 0.77 -0.06 -0.07 0.00 1.07 0.00 0.00 27.48 29.18 3h44 h GLN 412 CO -0.60 0.19 0.08 1.49 -2.65 0.00 0.00 178.83 177.35 3h44 h GLU 413 N 0.29 0.21 -0.12 1.69 4.81 0.88 -0.50 114.58 121.85 3h44 h GLU 413 Ca 0.11 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3h44 h GLU 413 Cb 0.02 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3h44 h GLU 413 CO -0.07 0.14 0.06 -0.07 -0.73 0.00 0.00 179.01 178.34 3h44 h LEU 414 N 0.22 0.15 -0.24 1.64 4.07 -0.49 -1.47 115.31 119.19 3h44 h LEU 414 Ca 0.25 -0.11 0.06 0.00 0.08 0.00 0.00 57.88 58.15 3h44 h LEU 414 Cb 0.34 -0.04 -0.08 0.00 1.08 0.00 0.00 40.66 41.97 3h44 h LEU 414 CO -0.34 0.22 -0.37 0.50 -1.08 0.00 0.00 178.44 177.38 3h44 h LYS 415 N 0.07 -0.36 -0.85 1.13 3.64 -0.08 -1.55 116.57 118.56 3h44 h LYS 415 Ca 0.04 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3h44 h LYS 415 Cb 0.11 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 3h44 h LYS 415 CO -0.01 -0.24 0.56 -0.44 -2.27 0.00 0.00 179.45 177.05 3h44 h ASP 416 N -0.38 0.87 -0.05 4.20 3.32 -0.91 0.11 116.42 123.57 3h44 h ASP 416 Ca 0.12 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 3h44 h ASP 416 Cb 0.57 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3h44 h ASP 416 CO -0.45 0.57 -0.12 0.25 -1.72 0.00 0.00 179.24 177.78 3h44 h LEU 417 N 0.99 0.19 -0.81 1.55 5.85 -1.09 -2.60 115.31 119.39 3h44 h LEU 417 Ca 0.36 -0.58 0.13 0.00 0.84 0.00 0.00 57.88 58.62 3h44 h LEU 417 Cb 0.14 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.03 3h44 h LEU 417 CO -0.12 0.74 0.42 0.78 -0.34 0.00 0.00 178.44 179.92 3h44 h ASN 418 N -0.35 0.53 -0.41 1.25 4.21 -0.90 0.16 115.58 120.07 3h44 h ASN 418 Ca -0.00 0.08 0.08 0.00 1.21 0.00 0.00 56.30 57.67 3h44 h ASN 418 Cb 0.71 -0.01 -0.07 0.00 -1.12 0.00 0.00 38.32 37.83 3h44 h ASN 418 CO 0.03 0.25 -0.05 0.00 -1.29 0.00 0.00 177.43 176.37 3h44 h ALA 419 N 1.51 0.33 -0.00 -0.83 0.00 -0.66 0.14 119.26 119.75 3h44 h ALA 419 Ca 0.43 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.47 3h44 h ALA 419 Cb 0.54 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3h44 h ALA 419 CO -0.33 -0.42 -0.00 0.28 0.00 0.00 0.00 179.25 178.78 3h44 h VAL 420 N 0.05 1.33 -0.70 0.00 2.07 -1.01 -1.07 116.25 116.92 3h44 h VAL 420 Ca 0.20 -0.99 0.15 0.00 0.82 0.00 0.00 66.70 66.89 3h44 h VAL 420 Cb 0.30 2.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.96 3h44 h VAL 420 CO -0.38 0.26 0.12 0.00 0.02 0.00 0.00 177.57 177.59 3h44 h ALA 421 N 0.58 0.85 -0.41 1.67 0.00 -0.42 -1.39 119.26 120.14 3h44 h ALA 421 Ca 0.00 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3h44 h ALA 421 Cb 0.42 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3h44 h ALA 421 CO 0.00 -0.36 0.02 0.35 0.00 0.00 0.00 179.25 179.26 3h44 h PHE 422 N 0.22 0.77 -0.50 0.00 3.57 -0.91 -1.71 116.94 118.38 3h44 h PHE 422 Ca 0.39 -0.13 0.08 0.00 3.53 0.00 0.00 57.97 61.84 3h44 h PHE 422 Cb 0.66 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 3h44 h PHE 422 CO -0.30 0.77 0.14 -0.09 -2.23 0.00 0.00 178.31 176.61 3h44 h ARG 423 N 0.55 0.28 -0.38 1.11 9.65 -0.28 -3.19 114.38 122.12 3h44 h ARG 423 Ca 0.12 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.92 3h44 h ARG 423 Cb 0.45 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.93 3h44 h ARG 423 CO 0.02 0.19 0.03 1.19 2.80 0.00 0.00 179.97 184.20 3h44 n PHE 424 N -5.06 1.32 -1.63 2.20 3.01 -0.61 -4.20 117.46 112.49 3h44 n PHE 424 Ca 0.05 -1.03 -0.46 0.00 1.01 0.00 0.00 57.45 57.03 3h44 n PHE 424 Cb 0.22 -0.42 -0.03 0.00 -0.01 0.00 0.00 39.48 39.25 3h44 n PHE 424 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3h44 n LYS 425 N -0.45 1.64 -2.08 -1.08 4.81 -0.66 -4.94 118.16 115.40 3h44 n LYS 425 Ca 0.27 0.58 -0.37 0.00 -0.87 0.00 0.00 58.31 57.92 3h44 n LYS 425 Cb 1.03 -2.12 0.01 0.00 0.02 0.00 0.00 35.03 33.97 3h44 n LYS 425 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3h44 s ASP 426 N -0.06 5.78 0.02 3.14 1.01 -1.26 -4.94 116.67 120.35 3h44 s ASP 426 Ca 0.66 2.45 -0.30 0.00 0.71 0.00 0.00 52.55 56.07 3h44 s ASP 426 Cb -0.71 -2.61 -0.06 0.00 1.01 0.00 0.00 42.92 40.55 3h44 s ASP 426 CO 0.54 -1.20 1.49 -0.75 0.21 0.00 0.00 175.17 175.46 3h44 s LYS 427 N -2.84 4.25 0.71 8.23 2.20 -1.26 -4.97 119.74 126.06 3h44 s LYS 427 Ca 0.68 2.08 -0.12 0.00 -0.36 0.00 0.00 55.97 58.26 3h44 s LYS 427 Cb -0.32 -3.61 0.02 0.00 -1.51 0.00 0.00 37.83 32.41 3h44 s LYS 427 CO 0.38 -0.64 1.08 -1.21 -0.36 0.00 0.00 175.35 174.60 3h44 s GLU 428 N 2.58 2.70 0.34 4.03 8.01 -1.26 -4.29 118.70 130.81 3h44 s GLU 428 Ca 0.67 1.10 -0.27 0.00 0.01 0.00 0.00 54.97 56.48 3h44 s GLU 428 Cb -0.34 -1.95 -0.09 0.00 -4.31 0.00 0.00 34.13 27.44 3h44 s GLU 428 CO 0.28 -1.30 1.09 1.03 0.01 0.00 0.00 175.26 176.38 3h44 s ARG 429 N -4.81 4.37 0.10 1.61 0.52 -1.26 -4.95 118.95 114.54 3h44 s ARG 429 Ca 0.61 1.71 -0.31 0.00 -0.52 0.00 0.00 55.73 57.21 3h44 s ARG 429 Cb -0.16 -2.88 -0.12 0.00 0.52 0.00 0.00 34.95 32.32 3h44 s ARG 429 CO 0.52 -0.00 1.60 -1.35 0.02 0.00 0.00 175.30 176.09 3h44 h PRO 430 N 3.15 -0.69 -0.53 3.54 0.11 -1.96 -1.95 132.00 133.69 3h44 h PRO 430 Ca -0.48 0.05 0.10 0.00 0.11 0.00 0.00 66.00 65.78 3h44 h PRO 430 Cb 1.22 0.16 -0.11 0.00 0.11 0.00 0.00 31.00 32.38 3h44 h PRO 430 CO 0.65 -0.46 -0.26 -0.09 -0.21 0.00 0.00 178.00 177.62 3h44 h ARG 431 N -0.71 -0.13 -0.95 1.05 2.43 -1.92 0.81 114.38 114.96 3h44 h ARG 431 Ca -0.01 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3h44 h ARG 431 Cb 0.68 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.21 3h44 h ARG 431 CO -0.13 -0.09 0.62 0.78 -1.51 0.00 0.00 179.97 179.65 3h44 h GLY 432 N -0.14 1.36 0.67 2.80 0.00 -1.95 -2.93 103.07 102.89 3h44 h GLY 432 Ca 0.23 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 3h44 h GLY 432 CO -0.61 0.44 -0.10 -1.82 0.00 0.00 0.00 176.54 174.46 3h44 h TYR 433 N 1.24 0.29 -0.27 5.60 3.20 -0.11 -1.16 116.97 125.76 3h44 h TYR 433 Ca 0.36 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3h44 h TYR 433 Cb -0.07 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3h44 h TYR 433 CO -0.01 0.66 0.18 1.79 -1.64 0.00 0.00 178.16 179.14 3h44 h THR 434 N -0.16 1.08 0.32 1.81 1.35 -1.09 -0.47 112.91 115.76 3h44 h THR 434 Ca 0.02 -0.16 -0.01 0.00 -0.55 0.00 0.00 66.41 65.71 3h44 h THR 434 Cb 0.61 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 67.71 3h44 h THR 434 CO 0.02 0.08 -0.25 -1.28 -0.25 0.00 0.00 175.52 173.84 3h44 h SER 435 N 0.36 -0.64 -0.46 5.36 0.87 -1.49 -0.07 113.55 117.48 3h44 h SER 435 Ca 0.10 0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.80 3h44 h SER 435 Cb -0.03 0.21 -0.10 0.00 -0.44 0.00 0.00 62.40 62.04 3h44 h SER 435 CO -0.02 -0.38 -0.24 0.50 -0.53 0.00 0.00 176.83 176.17 3h44 h LYS 436 N -0.57 -0.13 0.26 2.24 1.63 -1.11 -2.43 116.57 116.44 3h44 h LYS 436 Ca -0.02 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.77 3h44 h LYS 436 Cb 0.50 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 3h44 h LYS 436 CO -0.01 -0.09 -0.12 0.82 -3.45 0.00 0.00 179.45 176.60 3h44 h ILE 437 N -0.14 0.78 -0.82 2.00 1.08 -0.92 -2.28 117.51 117.22 3h44 h ILE 437 Ca 0.22 -0.26 0.24 0.00 -0.39 0.00 0.00 64.86 64.66 3h44 h ILE 437 Cb 0.48 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 35.13 3h44 h ILE 437 CO -0.55 0.06 0.63 0.00 -0.69 0.00 0.00 178.15 177.60 3h44 h ALA 438 N 0.23 2.73 -0.10 1.87 0.00 -0.85 0.17 119.26 123.31 3h44 h ALA 438 Ca -0.04 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 3h44 h ALA 438 Cb 0.36 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3h44 h ALA 438 CO 0.06 -1.05 -0.73 0.78 0.00 0.00 0.00 179.25 178.31 3h44 h GLY 439 N 0.00 0.55 -0.08 0.00 0.00 -0.92 -3.31 103.07 99.31 3h44 h GLY 439 Ca 0.39 -0.78 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3h44 h GLY 439 CO -0.00 0.69 -0.55 0.29 0.00 0.00 0.00 176.54 176.97 3h44 n ILE 440 N -3.87 0.00 0.20 2.60 -5.35 0.50 -3.88 119.36 109.57 3h44 n ILE 440 Ca -0.05 -0.12 0.18 0.00 -0.27 0.00 0.00 62.75 62.50 3h44 n ILE 440 Cb 0.71 0.79 0.82 0.00 -1.74 0.00 0.00 39.64 40.22 3h44 n ILE 440 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3h44 h LEU 441 N 1.10 0.00 -0.35 7.28 3.38 -1.37 -0.82 115.31 124.53 3h44 h LEU 441 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h44 h LEU 441 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3h44 h LEU 441 CO 0.00 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.94 3h44 n HIS 442 N -3.51 0.06 0.00 1.13 8.25 -1.25 -4.23 115.22 115.67 3h44 n HIS 442 Ca 0.03 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3h44 n HIS 442 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 3h44 n HIS 442 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3h44 n TYR 443 N -0.46 0.00 -3.82 4.41 4.02 -0.33 -5.07 117.16 115.92 3h44 n TYR 443 Ca 0.15 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.92 3h44 n TYR 443 Cb 0.15 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.34 3h44 n TYR 443 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 3h44 s TYR 444 N -1.19 -0.09 0.50 -0.72 2.02 -1.15 -5.12 117.35 111.60 3h44 s TYR 444 Ca 0.00 0.25 -0.20 0.00 -0.37 0.00 0.00 57.07 56.76 3h44 s TYR 444 Cb 0.00 -0.01 -0.12 0.00 -0.40 0.00 0.00 41.96 41.44 3h44 s TYR 444 CO 0.00 -0.07 0.39 -2.30 -1.57 0.00 0.00 175.55 172.00 3h44 n PRO 445 N 3.29 0.41 -0.19 -1.71 -0.02 -1.26 -4.70 135.00 130.83 3h44 n PRO 445 Ca -0.16 0.16 0.14 0.00 -2.02 0.00 0.00 63.50 61.62 3h44 n PRO 445 Cb 0.58 -1.47 0.46 0.00 -0.02 0.00 0.00 33.50 33.05 3h44 n PRO 445 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3h44 h LEU 446 N 0.39 0.48 -1.69 2.45 -0.00 -1.98 -0.33 115.31 114.63 3h44 h LEU 446 Ca -0.43 0.02 -0.04 0.00 -0.00 0.00 0.00 57.88 57.44 3h44 h LEU 446 Cb 1.41 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.99 3h44 h LEU 446 CO 0.48 0.25 -0.18 -0.33 -0.00 0.00 0.00 178.44 178.66 3h44 h GLU 447 N 0.51 0.00 -0.10 1.13 3.07 -1.89 -3.25 114.58 114.05 3h44 h GLU 447 Ca 0.38 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.21 3h44 h GLU 447 Cb 0.74 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.64 3h44 h GLU 447 CO -0.13 0.18 -0.13 0.39 -1.40 0.00 0.00 179.01 177.92 3h44 n GLU 448 N -3.82 1.74 0.00 2.33 1.02 -0.14 -1.83 120.64 119.94 3h44 n GLU 448 Ca -0.02 -2.89 -0.13 0.00 -0.02 0.00 0.00 57.16 54.11 3h44 n GLU 448 Cb 0.28 -1.64 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 3h44 n GLU 448 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 3h44 h VAL 449 N 0.71 1.31 -0.44 2.62 -1.51 -1.58 -0.20 116.25 117.15 3h44 h VAL 449 Ca 0.03 -1.11 0.13 0.00 -1.23 0.00 0.00 66.70 64.52 3h44 h VAL 449 Cb 1.18 2.04 -0.02 0.00 -2.13 0.00 0.00 31.29 32.36 3h44 h VAL 449 CO 0.10 0.28 0.36 -0.07 -1.23 0.00 0.00 177.57 177.01 3h44 h LEU 450 N -0.53 0.00 0.00 4.19 4.07 -1.84 -3.09 115.31 118.11 3h44 h LEU 450 Ca -0.00 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.72 3h44 h LEU 450 Cb 0.49 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.19 3h44 h LEU 450 CO 0.01 0.00 -2.06 0.35 -1.08 0.00 0.00 178.44 175.65 3h44 n THR 451 N -4.14 0.87 -0.15 0.22 -2.24 -1.17 -4.72 114.28 102.95 3h44 n THR 451 Ca 0.08 -0.64 -0.05 0.00 -2.27 0.00 0.00 64.05 61.17 3h44 n THR 451 Cb 0.56 -0.40 0.01 0.00 -2.10 0.00 0.00 70.33 68.39 3h44 n THR 451 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h44 h ALA 452 N 1.01 0.03 0.00 6.98 0.00 -0.94 -0.27 119.26 126.07 3h44 h ALA 452 Ca -0.34 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3h44 h ALA 452 Cb 1.74 0.61 0.00 0.00 0.00 0.00 0.00 17.79 20.14 3h44 h ALA 452 CO 0.02 -0.62 0.00 0.39 0.00 0.00 0.00 179.25 179.04 3h44 n GLU 453 N -5.41 0.23 -0.08 0.00 1.02 -1.26 -3.70 120.64 111.44 3h44 n GLU 453 Ca 0.03 0.04 -0.07 0.00 -0.02 0.00 0.00 57.16 57.14 3h44 n GLU 453 Cb 0.33 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 3h44 n GLU 453 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3h44 n TYR 454 N -1.37 0.27 -2.70 -0.32 4.01 -0.36 -4.99 117.16 111.70 3h44 n TYR 454 Ca 0.10 0.12 -0.42 0.00 -0.16 0.00 0.00 57.90 57.54 3h44 n TYR 454 Cb 0.25 -0.56 -0.03 0.00 -0.31 0.00 0.00 39.34 38.68 3h44 n TYR 454 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3h44 s LEU 455 N -7.87 4.34 0.24 7.72 1.43 -0.26 -4.80 118.68 119.49 3h44 s LEU 455 Ca -0.24 1.64 0.03 0.00 -1.03 0.00 0.00 54.13 54.53 3h44 s LEU 455 Cb 0.03 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 3h44 s LEU 455 CO 0.35 -0.30 0.39 -0.76 0.23 0.00 0.00 176.35 176.26 3h44 s LEU 456 N 1.24 4.24 0.00 1.79 1.43 -1.26 -4.83 118.68 121.29 3h44 s LEU 456 Ca 0.51 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 3h44 s LEU 456 Cb -0.20 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.01 3h44 s LEU 456 CO 0.26 -0.10 0.00 1.21 0.23 0.00 0.00 176.35 177.95 3h44 n GLU 457 N -1.27 0.00 -4.46 1.70 4.07 0.02 -4.95 120.64 115.76 3h44 n GLU 457 Ca -0.07 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.69 3h44 n GLU 457 Cb 0.56 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.84 3h44 n GLU 457 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 3h44 s GLU 458 N 0.00 2.76 -0.26 5.31 4.04 -1.24 -5.02 118.70 124.28 3h44 s GLU 458 Ca 0.00 -0.57 -0.29 0.00 0.04 0.00 0.00 54.97 54.15 3h44 s GLU 458 Cb 0.00 -2.63 0.01 0.00 0.02 0.00 0.00 34.13 31.53 3h44 s GLU 458 CO 0.00 0.65 1.13 0.12 -1.84 0.00 0.00 175.26 175.32 3h44 s PHE 459 N -0.93 3.10 -0.72 4.83 5.36 -1.26 -4.23 117.98 124.12 3h44 s PHE 459 Ca 0.15 1.21 0.03 0.00 -0.96 0.00 0.00 56.93 57.36 3h44 s PHE 459 Cb -0.11 -3.55 0.17 0.00 -0.34 0.00 0.00 43.02 39.19 3h44 s PHE 459 CO 0.05 -0.96 0.52 1.03 -1.46 0.00 0.00 175.22 174.40 3h44 s ARG 460 N 3.55 2.58 0.59 10.12 1.81 -1.26 -4.91 118.95 131.43 3h44 s ARG 460 Ca 0.48 -3.22 0.29 0.00 -1.72 0.00 0.00 55.73 51.56 3h44 s ARG 460 Cb -0.15 -3.53 1.34 0.00 -0.45 0.00 0.00 34.95 32.15 3h44 s ARG 460 CO 0.13 -1.26 1.73 -1.35 -0.68 0.00 0.00 175.30 173.88 3h44 h PRO 461 N 5.71 0.00 0.22 3.54 0.11 -1.94 -0.72 132.00 138.92 3h44 h PRO 461 Ca 0.12 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.90 3h44 h PRO 461 Cb 0.79 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.92 3h44 h PRO 461 CO 0.74 0.00 -1.49 0.38 -0.21 0.00 0.00 178.00 177.43 3h44 h ASP 462 N 0.00 0.71 -0.18 -2.05 3.04 -1.98 -1.51 116.42 114.46 3h44 h ASP 462 Ca 0.31 -0.81 -0.05 0.00 -3.24 0.00 0.00 57.03 53.23 3h44 h ASP 462 Cb 1.71 -0.23 -0.00 0.00 -1.04 0.00 0.00 39.33 39.76 3h44 h ASP 462 CO -0.00 1.64 -0.08 -0.07 -2.04 0.00 0.00 179.24 178.69 3h44 h LEU 463 N 0.12 0.39 -0.36 0.15 3.38 -1.58 0.23 115.31 117.63 3h44 h LEU 463 Ca -0.25 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 57.39 3h44 h LEU 463 Cb 2.12 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 42.68 3h44 h LEU 463 CO 0.24 0.71 -0.18 0.40 0.09 0.00 0.00 178.44 179.70 3h44 h ILE 464 N 0.06 0.46 0.00 1.22 5.03 -1.39 -0.56 117.51 122.34 3h44 h ILE 464 Ca 0.04 0.00 -0.10 0.00 -0.12 0.00 0.00 64.86 64.68 3h44 h ILE 464 Cb 0.56 0.46 -0.01 0.00 -3.03 0.00 0.00 36.82 34.80 3h44 h ILE 464 CO 0.03 0.00 -0.46 -0.08 -0.68 0.00 0.00 178.15 176.96 3h44 h GLU 465 N -0.12 0.00 0.65 2.37 4.81 -1.12 -1.93 114.58 119.24 3h44 h GLU 465 Ca 0.18 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3h44 h GLU 465 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3h44 h GLU 465 CO -0.44 0.46 -0.35 1.98 -0.73 0.00 0.00 179.01 179.93 3h44 h MET 466 N 0.00 -0.89 0.06 1.92 4.05 0.98 -1.66 114.93 119.39 3h44 h MET 466 Ca -0.00 0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.47 3h44 h MET 466 Cb 0.97 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 3h44 h MET 466 CO 0.06 -0.59 -0.03 0.28 0.23 0.00 0.00 176.91 176.86 3h44 h VAL 467 N -0.92 0.94 -0.99 -5.77 2.07 -1.23 -2.84 116.25 107.52 3h44 h VAL 467 Ca -0.08 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.63 3h44 h VAL 467 Cb 0.73 0.94 -0.11 0.00 -1.52 0.00 0.00 31.29 31.33 3h44 h VAL 467 CO 0.12 0.00 0.58 0.25 0.02 0.00 0.00 177.57 178.54 3h44 h LEU 468 N -0.08 0.72 -1.44 2.57 5.85 -1.36 0.48 115.31 122.05 3h44 h LEU 468 Ca -0.01 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3h44 h LEU 468 Cb 0.06 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3h44 h LEU 468 CO 0.01 0.23 0.00 -0.78 -0.34 0.00 0.00 178.44 177.56 3h44 h ASP 469 N 0.70 0.00 0.56 1.25 3.58 -1.05 -2.24 116.42 119.22 3h44 h ASP 469 Ca 0.58 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.03 3h44 h ASP 469 Cb 0.94 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.99 3h44 h ASP 469 CO -0.41 0.00 -0.14 0.29 -2.88 0.00 0.00 179.24 176.10 3h44 n LYS 470 N -2.65 0.38 -3.41 0.28 4.76 0.17 -4.54 118.16 113.15 3h44 n LYS 470 Ca 0.00 -0.12 -0.39 0.00 -2.87 0.00 0.00 58.31 54.93 3h44 n LYS 470 Cb 0.20 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.86 3h44 n LYS 470 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3h44 n LEU 471 N -1.21 5.00 -4.20 -0.35 4.77 -0.84 -4.84 117.00 115.34 3h44 n LEU 471 Ca 0.11 -5.15 -0.12 0.00 -0.03 0.00 0.00 56.01 50.82 3h44 n LEU 471 Cb 0.30 -1.21 -0.10 0.00 -2.33 0.00 0.00 43.42 40.08 3h44 n LEU 471 CO 0.26 1.57 -0.37 0.00 -1.33 0.00 0.00 177.39 177.53 3h44 s ARG 472 N -1.75 0.93 0.31 3.23 1.70 -1.26 -5.05 118.95 117.06 3h44 s ARG 472 Ca 0.30 -1.40 0.05 0.00 -0.47 0.00 0.00 55.73 54.21 3h44 s ARG 472 Cb -0.03 -0.25 0.82 0.00 -0.57 0.00 0.00 34.95 34.92 3h44 s ARG 472 CO -0.06 -0.05 1.61 -1.35 -1.08 0.00 0.00 175.30 174.37 3h44 h PRO 473 N 2.87 0.10 0.00 3.89 0.11 -1.91 -0.69 132.00 136.37 3h44 h PRO 473 Ca -0.36 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 3h44 h PRO 473 Cb 1.18 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3h44 h PRO 473 CO 0.64 0.06 -0.01 1.05 -0.21 0.00 0.00 178.00 179.53 3h44 h GLU 474 N 0.10 0.00 -1.01 1.05 9.09 -1.97 -2.75 114.58 119.10 3h44 h GLU 474 Ca 0.61 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 59.45 3h44 h GLU 474 Cb 1.33 0.00 -0.42 0.00 -1.65 0.00 0.00 28.75 28.01 3h44 h GLU 474 CO -0.77 0.01 -0.65 0.27 0.05 0.00 0.00 179.01 177.91 3h44 n ASN 475 N -3.34 5.09 -4.83 3.06 6.94 -0.27 -4.45 115.26 117.47 3h44 n ASN 475 Ca -0.03 -3.75 -0.36 0.00 -0.02 0.00 0.00 54.58 50.42 3h44 n ASN 475 Cb 0.10 -0.43 -0.07 0.00 -2.36 0.00 0.00 39.78 37.02 3h44 n ASN 475 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3h44 s VAL 476 N -4.88 5.24 -0.11 3.53 0.11 -1.04 -4.16 120.40 119.09 3h44 s VAL 476 Ca 0.51 0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.68 3h44 s VAL 476 Cb 0.41 -3.27 -0.02 0.00 -1.53 0.00 0.00 36.38 31.98 3h44 s VAL 476 CO -0.04 0.61 -0.14 -0.13 -3.33 0.00 0.00 175.10 172.08 3h44 s ARG 477 N -0.96 3.17 -0.05 1.54 0.52 0.09 -0.18 118.95 123.09 3h44 s ARG 477 Ca 0.14 -0.69 0.05 0.00 -0.52 0.00 0.00 55.73 54.71 3h44 s ARG 477 Cb -0.12 -2.56 -0.01 0.00 0.52 0.00 0.00 34.95 32.78 3h44 s ARG 477 CO 0.03 0.31 -0.21 0.08 0.02 0.00 0.00 175.30 175.53 3h44 s VAL 478 N 0.10 1.74 -0.02 3.52 1.01 -0.55 -0.89 120.40 125.31 3h44 s VAL 478 Ca -0.06 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.06 3h44 s VAL 478 Cb -0.15 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.75 3h44 s VAL 478 CO 0.05 0.49 -0.09 0.00 0.00 0.00 0.00 175.10 175.55 3h44 s ALA 479 N -0.04 0.79 -0.02 5.51 0.00 0.78 0.02 121.76 128.80 3h44 s ALA 479 Ca -0.04 -0.32 0.06 0.00 0.00 0.00 0.00 51.96 51.65 3h44 s ALA 479 Cb -0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 3h44 s ALA 479 CO 0.03 0.14 -0.21 0.42 0.00 0.00 0.00 175.76 176.15 3h44 s ILE 480 N 0.09 1.65 -0.21 0.00 1.01 0.23 0.36 121.20 124.33 3h44 s ILE 480 Ca -0.01 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.77 3h44 s ILE 480 Cb -0.07 -1.38 0.05 0.00 0.01 0.00 0.00 42.46 41.07 3h44 s ILE 480 CO 0.00 0.47 -0.10 -0.69 0.00 0.00 0.00 174.94 174.62 3h44 s VAL 481 N -0.38 1.72 -0.11 2.92 1.01 0.52 -1.06 120.40 125.02 3h44 s VAL 481 Ca 0.05 -1.13 -0.18 0.00 0.00 0.00 0.00 61.98 60.72 3h44 s VAL 481 Cb -0.09 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.52 3h44 s VAL 481 CO 0.00 0.12 0.47 -0.55 0.00 0.00 0.00 175.10 175.13 3h44 s SER 482 N 1.35 -0.44 0.28 3.32 0.15 -0.71 -1.66 113.70 115.98 3h44 s SER 482 Ca -0.03 0.69 0.21 0.00 0.70 0.00 0.00 55.95 57.51 3h44 s SER 482 Cb -0.17 0.73 1.05 0.00 -1.71 0.00 0.00 66.02 65.92 3h44 s SER 482 CO -0.08 -0.31 1.63 0.29 1.20 0.00 0.00 173.24 175.97 3h44 n LYS 483 N 2.09 0.14 -0.00 5.44 4.76 -1.26 -2.62 118.16 126.72 3h44 n LYS 483 Ca -0.17 0.57 0.15 0.00 -2.87 0.00 0.00 58.31 56.00 3h44 n LYS 483 Cb 0.57 -1.90 0.85 0.00 -1.84 0.00 0.00 35.03 32.70 3h44 n LYS 483 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3h44 n SER 484 N -2.19 0.19 -0.49 4.39 3.41 -1.26 -2.19 113.62 115.47 3h44 n SER 484 Ca -0.00 -1.11 0.12 0.00 -0.26 0.00 0.00 58.87 57.61 3h44 n SER 484 Cb 0.08 -0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.11 3h44 n SER 484 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3h44 n PHE 485 N -0.83 0.00 -1.64 7.33 0.99 -1.08 -4.91 117.46 117.33 3h44 n PHE 485 Ca 0.22 0.00 -0.58 0.00 -0.00 0.00 0.00 57.45 57.09 3h44 n PHE 485 Cb 0.14 -0.02 -0.07 0.00 -1.00 0.00 0.00 39.48 38.52 3h44 n PHE 485 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 3h44 n GLU 486 N -0.01 0.73 -0.92 -1.08 4.07 -0.93 -0.54 120.64 121.96 3h44 n GLU 486 Ca 0.10 0.27 0.00 0.00 -0.06 0.00 0.00 57.16 57.47 3h44 n GLU 486 Cb 0.46 -1.87 0.00 0.00 -0.06 0.00 0.00 31.44 29.97 3h44 n GLU 486 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3h44 n GLY 487 N 3.13 0.40 0.07 8.31 0.00 -1.26 -4.85 105.19 110.99 3h44 n GLY 487 Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.35 3h44 n GLY 487 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h44 n LYS 488 N -1.59 1.38 -4.91 1.61 5.02 0.30 -5.03 118.16 114.95 3h44 n LYS 488 Ca 0.00 -2.50 -0.33 0.00 -2.02 0.00 0.00 58.31 53.47 3h44 n LYS 488 Cb 0.13 -1.46 -0.14 0.00 -0.02 0.00 0.00 35.03 33.54 3h44 n LYS 488 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3h44 s THR 489 N -2.74 2.94 -1.11 -0.18 -4.23 -1.24 -4.90 115.64 104.17 3h44 s THR 489 Ca 0.30 -0.75 0.17 0.00 -1.18 0.00 0.00 61.69 60.23 3h44 s THR 489 Cb 0.26 -2.16 0.61 0.00 1.34 0.00 0.00 72.50 72.55 3h44 s THR 489 CO 0.03 0.57 1.52 -0.90 -0.54 0.00 0.00 174.62 175.30 3h44 n ASP 490 N 2.67 4.18 -4.06 3.99 5.68 -1.06 -4.82 116.55 123.13 3h44 n ASP 490 Ca -0.17 -2.35 -0.09 0.00 -0.50 0.00 0.00 54.79 51.67 3h44 n ASP 490 Cb 0.52 -0.49 -0.11 0.00 -1.14 0.00 0.00 41.12 39.90 3h44 n ASP 490 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3h44 s ARG 491 N -1.66 0.52 -0.06 0.11 0.52 0.36 -5.00 118.95 113.74 3h44 s ARG 491 Ca 0.44 -0.96 -0.01 0.00 -0.52 0.00 0.00 55.73 54.69 3h44 s ARG 491 Cb 0.28 0.07 0.03 0.00 0.52 0.00 0.00 34.95 35.84 3h44 s ARG 491 CO 0.23 -0.06 -0.01 0.99 0.02 0.00 0.00 175.30 176.47 3h44 s THR 492 N -2.71 0.39 0.25 0.02 2.01 -1.26 -0.80 115.64 113.54 3h44 s THR 492 Ca -0.03 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 3h44 s THR 492 Cb -0.01 -0.51 -0.09 0.00 0.01 0.00 0.00 72.50 71.90 3h44 s THR 492 CO -0.05 0.24 1.23 -0.70 -0.69 0.00 0.00 174.62 174.65 3h44 s GLU 493 N 1.63 4.46 0.28 4.92 -6.30 -0.41 -4.90 118.70 118.38 3h44 s GLU 493 Ca -0.00 2.00 0.07 0.00 -2.50 0.00 0.00 54.97 54.54 3h44 s GLU 493 Cb -0.13 -3.17 0.38 0.00 0.00 0.00 0.00 34.13 31.22 3h44 s GLU 493 CO -0.04 -0.08 1.64 1.05 0.02 0.00 0.00 175.26 177.85 3h44 h GLU 494 N 4.40 0.18 0.07 4.30 4.11 -1.94 -0.83 114.58 124.87 3h44 h GLU 494 Ca -0.46 -0.10 -0.34 0.00 0.07 0.00 0.00 59.36 58.52 3h44 h GLU 494 Cb 1.22 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 3h44 h GLU 494 CO 0.71 0.65 -1.91 0.91 0.07 0.00 0.00 179.01 179.44 3h44 n TRP 495 N -3.94 1.07 0.08 2.06 7.02 -1.26 -4.33 117.44 118.14 3h44 n TRP 495 Ca -0.02 0.29 0.08 0.00 -1.02 0.00 0.00 57.50 56.83 3h44 n TRP 495 Cb 0.55 -1.16 -0.13 0.00 -2.42 0.00 0.00 31.31 28.15 3h44 n TRP 495 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3h44 n TYR 496 N -3.28 0.00 -0.93 -5.99 4.02 -1.26 -4.99 117.16 104.73 3h44 n TYR 496 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.63 3h44 n TYR 496 Cb 1.05 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 40.03 3h44 n TYR 496 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3h44 n GLY 497 N 1.52 0.57 3.70 2.72 0.00 -0.32 -4.93 105.19 108.46 3h44 n GLY 497 Ca -0.02 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.43 3h44 n GLY 497 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3h44 n THR 498 N -2.85 0.28 -2.44 2.61 -1.04 -1.24 -4.46 114.28 105.14 3h44 n THR 498 Ca 0.00 -0.05 -0.43 0.00 -2.04 0.00 0.00 64.05 61.53 3h44 n THR 498 Cb 0.00 -1.20 -0.02 0.00 -1.82 0.00 0.00 70.33 67.29 3h44 n THR 498 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3h44 s GLN 499 N 3.27 4.06 0.30 -2.82 -1.52 -1.26 -1.29 119.66 120.40 3h44 s GLN 499 Ca 0.97 1.42 -0.13 0.00 -1.95 0.00 0.00 55.36 55.67 3h44 s GLN 499 Cb -1.05 -3.82 0.01 0.00 -0.22 0.00 0.00 33.01 27.93 3h44 s GLN 499 CO 0.64 -0.93 0.58 1.52 -0.25 0.00 0.00 175.29 176.84 3h44 s TYR 500 N 3.96 0.37 -0.00 0.91 1.13 0.02 -1.33 117.35 122.40 3h44 s TYR 500 Ca 0.55 -0.78 -0.02 0.00 -1.41 0.00 0.00 57.07 55.41 3h44 s TYR 500 Cb -0.19 0.34 -0.00 0.00 -1.10 0.00 0.00 41.96 41.01 3h44 s TYR 500 CO 0.19 -1.17 0.04 0.21 -2.51 0.00 0.00 175.55 172.30 3h44 s LYS 501 N -3.49 0.20 0.07 -3.49 2.20 -0.23 -0.49 119.74 114.51 3h44 s LYS 501 Ca 0.21 -0.22 0.09 0.00 -0.36 0.00 0.00 55.97 55.69 3h44 s LYS 501 Cb -0.02 0.08 -0.03 0.00 -1.51 0.00 0.00 37.83 36.35 3h44 s LYS 501 CO 0.11 -0.04 -0.25 -1.14 -0.36 0.00 0.00 175.35 173.68 3h44 s GLN 502 N -0.66 1.54 -0.15 4.03 0.74 -1.26 -1.83 119.66 122.06 3h44 s GLN 502 Ca -0.07 -1.14 -0.19 0.00 0.05 0.00 0.00 55.36 54.01 3h44 s GLN 502 Cb -0.05 -1.80 0.05 0.00 1.10 0.00 0.00 33.01 32.32 3h44 s GLN 502 CO -0.00 0.45 0.50 -1.21 -0.55 0.00 0.00 175.29 174.48 3h44 s GLU 503 N -1.51 0.66 0.31 1.67 2.02 -0.56 -4.99 118.70 116.30 3h44 s GLU 503 Ca 0.11 0.52 -0.28 0.00 0.02 0.00 0.00 54.97 55.33 3h44 s GLU 503 Cb -0.10 0.32 -0.09 0.00 0.10 0.00 0.00 34.13 34.35 3h44 s GLU 503 CO 0.03 -0.12 1.10 0.00 0.02 0.00 0.00 175.26 176.29 3h44 s ALA 504 N -0.15 3.33 -0.21 5.21 0.00 -1.26 0.26 121.76 128.94 3h44 s ALA 504 Ca -0.03 0.87 -0.27 0.00 0.00 0.00 0.00 51.96 52.53 3h44 s ALA 504 Cb -0.03 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 3h44 s ALA 504 CO 0.02 -0.21 0.92 0.42 0.00 0.00 0.00 175.76 176.92 3h44 s ILE 505 N -1.28 4.79 0.41 0.00 1.01 0.15 -4.79 121.20 121.49 3h44 s ILE 505 Ca 0.48 1.79 -0.26 0.00 0.00 0.00 0.00 60.65 62.66 3h44 s ILE 505 Cb -0.30 -4.21 -0.10 0.00 0.01 0.00 0.00 42.46 37.86 3h44 s ILE 505 CO 0.38 -0.08 1.28 -0.81 0.00 0.00 0.00 174.94 175.71 3h44 n PRO 506 N 5.83 1.97 -0.17 2.79 -0.04 -1.26 -4.77 135.00 139.34 3h44 n PRO 506 Ca 0.08 0.70 0.10 0.00 -0.04 0.00 0.00 63.50 64.34 3h44 n PRO 506 Cb 0.47 -2.38 0.41 0.00 -0.04 0.00 0.00 33.50 31.97 3h44 n PRO 506 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3h44 h ASP 507 N 2.17 0.55 -0.63 3.54 5.19 -1.99 0.11 116.42 125.36 3h44 h ASP 507 Ca -0.48 0.01 0.08 0.00 -0.62 0.00 0.00 57.03 56.03 3h44 h ASP 507 Cb 1.29 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 40.66 3h44 h ASP 507 CO 0.60 0.33 0.42 -0.08 -3.12 0.00 0.00 179.24 177.39 3h44 h GLU 508 N 0.61 0.54 0.17 3.56 4.22 -1.99 -0.43 114.58 121.26 3h44 h GLU 508 Ca 0.34 -0.03 -0.24 0.00 0.08 0.00 0.00 59.36 59.50 3h44 h GLU 508 Cb 0.49 -0.12 0.03 0.00 0.50 0.00 0.00 28.75 29.65 3h44 h GLU 508 CO -0.12 0.35 -1.05 0.28 -2.18 0.00 0.00 179.01 176.29 3h44 h VAL 509 N 0.55 1.41 0.23 0.32 2.07 -1.13 -2.37 116.25 117.34 3h44 h VAL 509 Ca 0.28 -2.55 -0.01 0.00 0.82 0.00 0.00 66.70 65.24 3h44 h VAL 509 Cb 0.38 3.07 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 3h44 h VAL 509 CO -0.09 0.74 -0.11 0.40 0.02 0.00 0.00 177.57 178.54 3h44 h ILE 510 N -0.13 0.79 -0.79 4.57 2.04 -1.38 -2.45 117.51 120.15 3h44 h ILE 510 Ca -0.18 -0.06 0.19 0.00 1.00 0.00 0.00 64.86 65.81 3h44 h ILE 510 Cb 1.81 0.82 -0.13 0.00 -0.74 0.00 0.00 36.82 38.59 3h44 h ILE 510 CO 0.20 0.01 0.12 0.50 0.00 0.00 0.00 178.15 178.98 3h44 h LYS 511 N -0.33 0.17 -0.09 2.37 3.64 -1.14 0.24 116.57 121.44 3h44 h LYS 511 Ca -0.03 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 3h44 h LYS 511 Cb 0.26 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3h44 h LYS 511 CO 0.05 0.12 -0.37 -0.22 -2.27 0.00 0.00 179.45 176.76 3h44 h LYS 512 N 0.18 0.18 0.00 1.90 3.11 -1.17 -2.24 116.57 118.53 3h44 h LYS 512 Ca 0.46 -0.07 -0.19 0.00 -2.81 0.00 0.00 60.65 58.03 3h44 h LYS 512 Cb 0.84 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.05 3h44 h LYS 512 CO -0.62 0.53 -0.86 -1.49 -2.81 0.00 0.00 179.45 174.20 3h44 h TRP 513 N 0.15 0.22 -0.33 1.91 6.55 -0.67 -3.20 115.95 120.59 3h44 h TRP 513 Ca 0.02 -0.12 -0.01 0.00 0.95 0.00 0.00 58.89 59.72 3h44 h TRP 513 Cb 0.73 -0.02 -0.02 0.00 -0.86 0.00 0.00 29.16 28.99 3h44 h TRP 513 CO 0.01 0.93 0.15 1.96 -1.05 0.00 0.00 178.44 180.44 3h44 h GLN 514 N 0.08 0.46 -0.52 0.49 4.20 -0.44 -2.23 115.11 117.15 3h44 h GLN 514 Ca -0.04 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3h44 h GLN 514 Cb 1.48 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.17 3h44 h GLN 514 CO 0.13 0.37 0.00 0.09 -0.67 0.00 0.00 178.83 178.75 3h44 n ASN 515 N -4.42 2.43 -4.63 1.46 5.03 -0.97 -4.94 115.26 109.22 3h44 n ASN 515 Ca 0.02 -2.17 -0.54 0.00 0.87 0.00 0.00 54.58 52.76 3h44 n ASN 515 Cb 0.12 -0.37 -0.07 0.00 -1.02 0.00 0.00 39.78 38.45 3h44 n ASN 515 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3h44 n ALA 516 N 0.46 -0.90 -1.87 5.41 0.00 -0.84 -4.97 120.51 117.80 3h44 n ALA 516 Ca 0.13 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.05 3h44 n ALA 516 Cb 0.45 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.80 3h44 n ALA 516 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3h44 n ASP 517 N 3.36 0.00 -4.90 0.00 -0.08 -1.26 -4.89 116.55 108.77 3h44 n ASP 517 Ca 0.21 -0.44 -0.29 0.00 -1.51 0.00 0.00 54.79 52.76 3h44 n ASP 517 Cb 0.16 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.59 3h44 n ASP 517 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3h44 s LEU 518 N 0.00 4.04 -0.23 -2.67 1.43 -1.26 -4.59 118.68 115.40 3h44 s LEU 518 Ca 0.00 0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 53.79 3h44 s LEU 518 Cb 0.00 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 42.76 3h44 s LEU 518 CO 0.00 -0.21 0.17 0.21 0.23 0.00 0.00 176.35 176.75 3h44 s ASN 519 N -3.19 2.27 0.62 2.29 3.84 -1.26 -5.03 114.94 114.49 3h44 s ASN 519 Ca 0.44 -0.70 0.19 0.00 0.21 0.00 0.00 52.86 53.01 3h44 s ASN 519 Cb -0.11 0.03 0.75 0.00 -0.55 0.00 0.00 41.25 41.37 3h44 s ASN 519 CO 0.30 -0.37 1.30 1.23 -2.79 0.00 0.00 177.10 176.77 3h44 h GLY 520 N 8.36 0.00 2.00 1.21 0.00 -2.02 0.13 103.07 112.75 3h44 h GLY 520 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3h44 h GLY 520 CO 0.33 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.15 3h44 n LYS 521 N -3.05 0.04 -3.72 4.80 4.76 -1.26 -4.61 118.16 115.12 3h44 n LYS 521 Ca 0.14 0.35 -0.38 0.00 -2.87 0.00 0.00 58.31 55.54 3h44 n LYS 521 Cb 1.24 -1.59 -0.12 0.00 -1.84 0.00 0.00 35.03 32.72 3h44 n LYS 521 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3h44 s PHE 522 N -3.08 3.23 0.21 2.13 2.99 0.45 -4.56 117.98 119.36 3h44 s PHE 522 Ca 0.05 -1.22 0.09 0.00 0.00 0.00 0.00 56.93 55.85 3h44 s PHE 522 Cb 0.07 -2.31 -0.04 0.00 0.00 0.00 0.00 43.02 40.74 3h44 s PHE 522 CO 0.23 -0.68 -0.06 0.15 -0.00 0.00 0.00 175.22 174.86 3h44 s LYS 523 N 1.46 2.14 0.91 0.44 3.01 -0.81 -4.93 119.74 121.97 3h44 s LYS 523 Ca 0.00 -1.33 -0.11 0.00 -1.01 0.00 0.00 55.97 53.52 3h44 s LYS 523 Cb -0.19 -2.16 0.14 0.00 -1.01 0.00 0.00 37.83 34.61 3h44 s LYS 523 CO 0.04 0.41 1.09 -0.51 0.51 0.00 0.00 175.35 176.89 3h44 s LEU 524 N -3.14 2.29 0.79 3.17 2.01 -1.26 -4.39 118.68 118.14 3h44 s LEU 524 Ca 0.27 1.64 -0.12 0.00 0.01 0.00 0.00 54.13 55.93 3h44 s LEU 524 Cb -0.08 -4.04 0.07 0.00 0.01 0.00 0.00 46.19 42.16 3h44 s LEU 524 CO 0.17 -2.79 1.14 -2.84 1.01 0.00 0.00 176.35 173.04 3h44 s PRO 525 N -4.84 1.94 0.69 1.29 0.02 -1.26 -4.88 135.00 127.96 3h44 s PRO 525 Ca 0.64 1.47 -0.05 0.00 0.02 0.00 0.00 61.00 63.09 3h44 s PRO 525 Cb -0.19 -1.84 0.07 0.00 0.02 0.00 0.00 34.50 32.56 3h44 s PRO 525 CO 0.58 -1.93 0.98 0.95 -0.33 0.00 0.00 177.00 177.25 3h44 s THR 526 N -2.50 2.33 0.31 0.99 -4.23 -1.26 -5.01 115.64 106.27 3h44 s THR 526 Ca 0.67 -0.38 -0.30 0.00 -1.18 0.00 0.00 61.69 60.50 3h44 s THR 526 Cb -0.22 -2.94 -0.11 0.00 1.34 0.00 0.00 72.50 70.56 3h44 s THR 526 CO 0.51 0.00 1.59 1.17 -0.54 0.00 0.00 174.62 177.36 3h44 n LYS 527 N -2.83 2.74 -2.20 3.99 3.00 -1.26 -4.84 118.16 116.76 3h44 n LYS 527 Ca 0.09 0.97 -0.40 0.00 -0.00 0.00 0.00 58.31 58.98 3h44 n LYS 527 Cb 0.60 -2.76 -0.03 0.00 0.00 0.00 0.00 35.03 32.85 3h44 n LYS 527 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 3h44 s ASN 528 N 0.40 5.66 0.62 3.14 3.84 -1.26 -4.84 114.94 122.51 3h44 s ASN 528 Ca 0.62 0.27 0.31 0.00 0.21 0.00 0.00 52.86 54.27 3h44 s ASN 528 Cb -0.48 -2.54 1.73 0.00 -0.55 0.00 0.00 41.25 39.41 3h44 s ASN 528 CO 0.51 -2.09 2.05 -0.08 -2.79 0.00 0.00 177.10 174.71 3h44 h GLU 529 N 13.10 0.00 0.00 0.43 4.57 -1.95 -3.21 114.58 127.53 3h44 h GLU 529 Ca -0.27 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.91 3h44 h GLU 529 Cb 1.13 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 3h44 h GLU 529 CO 1.20 0.00 -0.81 1.19 -1.18 0.00 0.00 179.01 179.42 3h44 n PHE 530 N -3.43 0.04 -1.54 0.92 3.01 -1.26 -4.96 117.46 110.24 3h44 n PHE 530 Ca 0.01 0.01 -0.60 0.00 1.01 0.00 0.00 57.45 57.88 3h44 n PHE 530 Cb 0.36 -0.17 -0.09 0.00 -0.01 0.00 0.00 39.48 39.57 3h44 n PHE 530 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3h44 n ILE 531 N -1.58 0.00 -1.86 4.37 2.08 -1.22 -4.84 119.36 116.32 3h44 n ILE 531 Ca 0.04 0.00 -0.34 0.00 0.56 0.00 0.00 62.75 63.02 3h44 n ILE 531 Cb 0.35 -0.22 0.04 0.00 -0.75 0.00 0.00 39.64 39.06 3h44 n ILE 531 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3h44 s PRO 532 N 1.34 2.88 0.00 0.38 0.04 -1.26 -4.94 135.00 133.43 3h44 s PRO 532 Ca 0.93 1.49 0.00 0.00 0.04 0.00 0.00 61.00 63.46 3h44 s PRO 532 Cb -1.32 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 31.27 3h44 s PRO 532 CO 0.66 -1.21 0.00 0.25 0.04 0.00 0.00 177.00 176.74 3h44 n THR 533 N -2.15 0.00 -2.50 1.26 -2.24 -1.26 -5.02 114.28 102.37 3h44 n THR 533 Ca 0.11 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.48 3h44 n THR 533 Cb 0.51 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.41 3h44 n THR 533 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3h44 s ASN 534 N -4.05 6.14 -0.08 3.42 3.84 -1.26 -4.87 114.94 118.08 3h44 s ASN 534 Ca 0.00 -0.21 0.15 0.00 0.21 0.00 0.00 52.86 53.02 3h44 s ASN 534 Cb 0.00 -2.56 0.51 0.00 -0.55 0.00 0.00 41.25 38.66 3h44 s ASN 534 CO 0.00 -1.80 1.43 0.49 -2.79 0.00 0.00 177.10 174.43 3h44 n PHE 535 N 9.48 0.94 -2.13 0.43 3.01 -1.26 -4.53 117.46 123.40 3h44 n PHE 535 Ca 0.06 -0.63 -0.42 0.00 1.01 0.00 0.00 57.45 57.47 3h44 n PHE 535 Cb 0.49 -0.17 -0.03 0.00 -0.01 0.00 0.00 39.48 39.77 3h44 n PHE 535 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3h44 s GLU 536 N -1.73 4.27 -0.65 -1.08 2.12 -1.26 -4.57 118.70 115.80 3h44 s GLU 536 Ca 0.38 2.09 -0.24 0.00 0.36 0.00 0.00 54.97 57.55 3h44 s GLU 536 Cb 0.25 -3.50 0.05 0.00 0.26 0.00 0.00 34.13 31.19 3h44 s GLU 536 CO 0.18 -0.59 1.06 0.42 -0.54 0.00 0.00 175.26 175.79 3h44 s ILE 537 N 2.16 4.15 0.19 -3.70 1.01 -1.26 -4.94 121.20 118.81 3h44 s ILE 537 Ca 0.67 0.07 -0.33 0.00 0.00 0.00 0.00 60.65 61.06 3h44 s ILE 537 Cb -0.35 -4.72 -0.13 0.00 0.01 0.00 0.00 42.46 37.27 3h44 s ILE 537 CO 0.29 -1.49 1.61 0.18 0.00 0.00 0.00 174.94 175.53 3h44 n LEU 538 N 8.17 3.46 -4.76 2.97 4.32 -1.26 -4.90 117.00 125.00 3h44 n LEU 538 Ca 0.00 1.09 -0.38 0.00 -0.02 0.00 0.00 56.01 56.70 3h44 n LEU 538 Cb 0.47 -1.48 0.01 0.00 -1.62 0.00 0.00 43.42 40.79 3h44 n LEU 538 CO 0.66 -0.13 0.92 -2.16 -1.22 0.00 0.00 177.39 175.46 3h44 s PRO 539 N 0.76 3.63 -0.01 3.23 0.04 -1.26 -4.89 135.00 136.51 3h44 s PRO 539 Ca 0.76 2.04 -0.36 0.00 0.04 0.00 0.00 61.00 63.47 3h44 s PRO 539 Cb -0.61 -2.47 -0.15 0.00 0.04 0.00 0.00 34.50 31.31 3h44 s PRO 539 CO 0.38 -0.73 1.62 -0.11 0.04 0.00 0.00 177.00 178.20 3h44 n LEU 540 N -0.46 2.63 -4.73 -3.56 7.94 -1.26 -4.93 117.00 112.63 3h44 n LEU 540 Ca 0.07 1.07 -0.34 0.00 -1.11 0.00 0.00 56.01 55.70 3h44 n LEU 540 Cb 0.46 -1.29 0.09 0.00 0.53 0.00 0.00 43.42 43.21 3h44 n LEU 540 CO 0.52 -0.47 0.77 -1.61 -1.11 0.00 0.00 177.39 175.48 3h44 s GLU 541 N 2.06 2.11 0.17 1.96 2.02 -1.26 -4.95 118.70 120.80 3h44 s GLU 541 Ca 0.88 1.65 -0.19 0.00 0.02 0.00 0.00 54.97 57.33 3h44 s GLU 541 Cb -0.84 -1.84 0.09 0.00 0.10 0.00 0.00 34.13 31.65 3h44 s GLU 541 CO 0.49 -1.84 1.64 0.87 0.02 0.00 0.00 175.26 176.45 3h44 h LYS 542 N -0.48 -0.09 -2.19 1.61 1.57 -2.05 -2.79 116.57 112.14 3h44 h LYS 542 Ca -0.47 0.01 -0.69 0.00 -1.87 0.00 0.00 60.65 57.63 3h44 h LYS 542 Cb 1.28 0.02 -0.35 0.00 0.08 0.00 0.00 32.23 33.26 3h44 h LYS 542 CO 0.49 -0.06 0.16 0.39 -0.57 0.00 0.00 179.45 179.86 3h44 n GLU 543 N -5.36 4.12 -3.25 3.15 1.02 -1.26 -5.01 120.64 114.05 3h44 n GLU 543 Ca 0.02 -4.66 -0.39 0.00 -0.02 0.00 0.00 57.16 52.12 3h44 n GLU 543 Cb 0.27 -2.34 -0.06 0.00 -0.02 0.00 0.00 31.44 29.30 3h44 n GLU 543 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h44 s ALA 544 N -3.88 3.48 0.30 0.62 0.00 -1.06 -5.07 121.76 116.15 3h44 s ALA 544 Ca 0.45 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 52.29 3h44 s ALA 544 Cb 0.27 -2.71 -0.06 0.00 0.00 0.00 0.00 23.12 20.62 3h44 s ALA 544 CO -0.16 0.09 0.59 0.95 0.00 0.00 0.00 175.76 177.22 3h44 s THR 545 N 0.19 4.97 0.29 0.00 -4.23 -1.26 -5.01 115.64 110.60 3h44 s THR 545 Ca 0.29 0.20 0.01 0.00 -1.18 0.00 0.00 61.69 61.02 3h44 s THR 545 Cb -0.17 -3.72 0.12 0.00 1.34 0.00 0.00 72.50 70.07 3h44 s THR 545 CO 0.14 -0.32 1.79 -0.65 -0.54 0.00 0.00 174.62 175.05 3h44 h PRO 546 N 1.73 0.62 -5.83 3.99 0.11 -1.97 -3.44 132.00 127.21 3h44 h PRO 546 Ca -0.47 -0.17 -0.59 0.00 0.11 0.00 0.00 66.00 64.88 3h44 h PRO 546 Cb 1.19 -0.07 -0.10 0.00 0.11 0.00 0.00 31.00 32.12 3h44 h PRO 546 CO 0.66 0.68 -0.54 0.71 -0.21 0.00 0.00 178.00 179.30 3h44 s TYR 547 N -4.87 2.58 0.17 0.65 2.02 -1.26 -5.05 117.35 111.59 3h44 s TYR 547 Ca -0.08 -0.60 -0.31 0.00 -0.37 0.00 0.00 57.07 55.71 3h44 s TYR 547 Cb 0.15 -1.87 -0.09 0.00 -0.40 0.00 0.00 41.96 39.75 3h44 s TYR 547 CO 0.79 0.29 1.39 -2.14 -1.57 0.00 0.00 175.55 174.31 3h44 s PRO 548 N -3.83 4.32 0.24 -1.71 0.02 -1.26 -4.84 135.00 127.94 3h44 s PRO 548 Ca 0.39 2.13 -0.11 0.00 0.02 0.00 0.00 61.00 63.43 3h44 s PRO 548 Cb 0.06 -3.20 -0.07 0.00 0.02 0.00 0.00 34.50 31.30 3h44 s PRO 548 CO 0.21 -0.39 0.58 0.00 -0.33 0.00 0.00 177.00 177.07 3h44 s ALA 549 N 0.61 3.53 -1.17 -1.55 0.00 0.37 -4.80 121.76 118.75 3h44 s ALA 549 Ca 0.62 -0.21 -0.16 0.00 0.00 0.00 0.00 51.96 52.21 3h44 s ALA 549 Cb -0.38 -2.50 0.13 0.00 0.00 0.00 0.00 23.12 20.38 3h44 s ALA 549 CO 0.35 0.48 1.45 -1.17 0.00 0.00 0.00 175.76 176.86 3h44 s LEU 550 N -2.79 4.68 0.00 0.00 2.96 -1.26 -1.05 118.68 121.22 3h44 s LEU 550 Ca 0.48 -2.60 0.18 0.00 -0.22 0.00 0.00 54.13 51.96 3h44 s LEU 550 Cb -0.11 -2.45 0.91 0.00 0.50 0.00 0.00 46.19 45.03 3h44 s LEU 550 CO 0.20 -0.95 1.60 2.30 -1.32 0.00 0.00 176.35 178.19 3h44 n ILE 551 N 5.32 0.07 -3.63 6.68 -6.64 -0.58 -4.81 119.36 115.77 3h44 n ILE 551 Ca 0.37 -0.11 -0.13 0.00 -1.77 0.00 0.00 62.75 61.11 3h44 n ILE 551 Cb 0.45 -0.07 -0.07 0.00 -1.44 0.00 0.00 39.64 38.51 3h44 n ILE 551 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 3h44 s LYS 552 N -1.93 0.77 -0.42 6.28 2.20 -1.10 -4.95 119.74 120.59 3h44 s LYS 552 Ca 0.27 0.85 0.09 0.00 -0.36 0.00 0.00 55.97 56.81 3h44 s LYS 552 Cb 0.13 0.37 0.30 0.00 -1.51 0.00 0.00 37.83 37.13 3h44 s LYS 552 CO 0.21 -0.10 0.81 -3.47 -0.36 0.00 0.00 175.35 172.43 3h44 n ASP 553 N 2.44 -0.73 -4.20 1.43 -0.08 -1.25 -0.48 116.55 113.69 3h44 n ASP 553 Ca -0.14 -3.16 -0.28 0.00 -1.51 0.00 0.00 54.79 49.69 3h44 n ASP 553 Cb 0.55 0.42 0.18 0.00 2.34 0.00 0.00 41.12 44.61 3h44 n ASP 553 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3h44 s THR 554 N -0.96 2.02 0.15 5.18 -4.23 -0.34 -4.96 115.64 112.51 3h44 s THR 554 Ca 0.33 -0.15 -0.06 0.00 -1.18 0.00 0.00 61.69 60.63 3h44 s THR 554 Cb 0.27 -2.87 -0.10 0.00 1.34 0.00 0.00 72.50 71.14 3h44 s THR 554 CO -0.11 0.00 1.41 0.00 -0.54 0.00 0.00 174.62 175.39 3h44 h ALA 555 N -1.43 0.52 -0.08 3.99 0.00 -2.00 -3.21 119.26 117.06 3h44 h ALA 555 Ca -0.42 -0.57 -0.16 0.00 0.00 0.00 0.00 54.91 53.77 3h44 h ALA 555 Cb 1.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3h44 h ALA 555 CO 0.36 0.71 -0.64 1.98 0.00 0.00 0.00 179.25 181.66 3h44 h MET 556 N 0.45 0.29 -2.66 0.00 1.85 -1.91 -3.41 114.93 109.54 3h44 h MET 556 Ca -0.02 -0.21 -0.11 0.00 -0.61 0.00 0.00 59.70 58.75 3h44 h MET 556 Cb 1.26 0.03 -0.25 0.00 0.43 0.00 0.00 31.60 33.08 3h44 h MET 556 CO 0.13 0.83 -0.24 -1.54 -0.40 0.00 0.00 176.91 175.69 3h44 s SER 557 N -6.91 -0.48 -0.30 1.39 1.04 -1.21 -1.40 113.70 105.81 3h44 s SER 557 Ca -0.04 0.89 -0.12 0.00 0.48 0.00 0.00 55.95 57.16 3h44 s SER 557 Cb 0.12 0.86 -0.04 0.00 0.10 0.00 0.00 66.02 67.05 3h44 s SER 557 CO 0.81 -0.17 0.21 -0.54 0.98 0.00 0.00 173.24 174.53 3h44 s LYS 558 N 0.67 3.76 -0.16 4.02 1.02 -0.12 -1.20 119.74 127.72 3h44 s LYS 558 Ca -0.04 -0.45 0.01 0.00 0.02 0.00 0.00 55.97 55.50 3h44 s LYS 558 Cb -0.05 -3.72 0.00 0.00 -0.52 0.00 0.00 37.83 33.55 3h44 s LYS 558 CO -0.04 -0.29 -0.17 -1.17 -0.92 0.00 0.00 175.35 172.76 3h44 s LEU 559 N 1.74 2.36 -0.12 3.17 2.96 0.37 -2.17 118.68 127.00 3h44 s LEU 559 Ca 0.07 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 3h44 s LEU 559 Cb -0.17 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3h44 s LEU 559 CO 0.11 0.05 0.01 0.26 -1.32 0.00 0.00 176.35 175.46 3h44 s TRP 560 N 0.99 3.17 -0.01 5.38 0.52 -0.00 -1.52 118.94 127.47 3h44 s TRP 560 Ca -0.02 0.09 -0.01 0.00 0.02 0.00 0.00 56.10 56.18 3h44 s TRP 560 Cb -0.15 -1.88 -0.00 0.00 -1.15 0.00 0.00 33.47 30.29 3h44 s TRP 560 CO -0.04 0.33 0.02 0.12 0.02 0.00 0.00 176.95 177.41 3h44 s PHE 561 N -0.43 0.02 -0.15 -1.98 5.36 -0.21 -0.90 117.98 119.69 3h44 s PHE 561 Ca 0.08 -0.04 -0.08 0.00 -0.96 0.00 0.00 56.93 55.93 3h44 s PHE 561 Cb -0.12 -0.03 0.05 0.00 -0.34 0.00 0.00 43.02 42.58 3h44 s PHE 561 CO 0.02 -0.06 0.35 0.21 -1.46 0.00 0.00 175.22 174.28 3h44 s LYS 562 N -0.32 0.34 0.04 10.12 2.20 -1.01 -0.48 119.74 130.63 3h44 s LYS 562 Ca -0.04 0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 55.95 3h44 s LYS 562 Cb -0.02 -0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.23 3h44 s LYS 562 CO -0.00 -0.15 0.96 -1.14 -0.36 0.00 0.00 175.35 174.66 3h44 s GLN 563 N 1.21 4.60 -0.10 4.03 0.74 -1.26 -2.33 119.66 126.55 3h44 s GLN 563 Ca -0.08 1.40 -0.35 0.00 0.05 0.00 0.00 55.36 56.38 3h44 s GLN 563 Cb -0.08 -3.43 -0.12 0.00 1.10 0.00 0.00 33.01 30.47 3h44 s GLN 563 CO -0.10 0.05 1.84 -3.47 -0.55 0.00 0.00 175.29 173.07 3h44 n ASP 564 N 3.49 3.28 -0.51 6.67 2.03 0.40 -4.84 116.55 127.08 3h44 n ASP 564 Ca 0.04 0.99 0.08 0.00 0.52 0.00 0.00 54.79 56.42 3h44 n ASP 564 Cb 0.50 -1.34 0.18 0.00 -0.72 0.00 0.00 41.12 39.74 3h44 n ASP 564 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3h44 n ASP 565 N 6.28 3.06 0.00 1.67 3.85 -1.26 -4.74 116.55 125.41 3h44 n ASP 565 Ca 0.23 -2.75 0.00 0.00 -0.71 0.00 0.00 54.79 51.55 3h44 n ASP 565 Cb 0.27 -0.40 0.00 0.00 -1.35 0.00 0.00 41.12 39.65 3h44 n ASP 565 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3h44 n LYS 566 N -0.61 0.80 -0.02 0.11 5.02 -1.26 -4.96 118.16 117.23 3h44 n LYS 566 Ca 0.16 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.46 3h44 n LYS 566 Cb 0.67 -0.74 -0.07 0.00 -0.02 0.00 0.00 35.03 34.86 3h44 n LYS 566 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3h44 n PHE 567 N -1.68 0.00 -4.22 2.13 3.01 -1.26 -5.02 117.46 110.42 3h44 n PHE 567 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.14 3h44 n PHE 567 Cb 0.24 -0.30 -0.06 0.00 -0.01 0.00 0.00 39.48 39.35 3h44 n PHE 567 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3h44 n PHE 568 N -2.01 -1.44 -4.23 1.38 3.01 -1.26 -4.97 117.46 107.94 3h44 n PHE 568 Ca -0.06 0.69 -0.30 0.00 1.01 0.00 0.00 57.45 58.79 3h44 n PHE 568 Cb 0.45 -3.00 -0.09 0.00 -0.01 0.00 0.00 39.48 36.82 3h44 n PHE 568 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3h44 s LEU 569 N -7.22 3.19 -0.79 4.37 1.43 -1.26 -4.95 118.68 113.45 3h44 s LEU 569 Ca 0.22 -0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 52.97 3h44 s LEU 569 Cb -0.12 -1.95 -0.12 0.00 0.03 0.00 0.00 46.19 44.03 3h44 s LEU 569 CO 0.96 0.19 2.66 -0.81 0.23 0.00 0.00 176.35 179.58 3h44 n PRO 570 N 0.78 2.37 -4.06 1.29 -0.04 -1.26 -4.63 135.00 129.45 3h44 n PRO 570 Ca -0.13 -1.42 -0.12 0.00 -0.04 0.00 0.00 63.50 61.79 3h44 n PRO 570 Cb 0.52 -2.35 -0.11 0.00 -0.04 0.00 0.00 33.50 31.53 3h44 n PRO 570 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3h44 s LYS 571 N 2.32 0.54 0.02 0.54 1.02 -1.26 -1.12 119.74 121.79 3h44 s LYS 571 Ca 0.53 -0.84 -0.01 0.00 0.02 0.00 0.00 55.97 55.67 3h44 s LYS 571 Cb 0.18 -0.18 -0.02 0.00 -0.52 0.00 0.00 37.83 37.29 3h44 s LYS 571 CO -0.03 0.01 0.00 0.00 -0.92 0.00 0.00 175.35 174.41 3h44 s ALA 572 N -1.85 0.04 -0.11 5.17 0.00 -0.19 -1.89 121.76 122.94 3h44 s ALA 572 Ca -0.07 -0.52 -0.00 0.00 0.00 0.00 0.00 51.96 51.37 3h44 s ALA 572 Cb -0.07 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 3h44 s ALA 572 CO -0.01 -0.17 -0.09 -0.80 0.00 0.00 0.00 175.76 174.69 3h44 s ASN 573 N -1.47 4.42 -0.34 0.00 0.01 0.11 -2.59 114.94 115.09 3h44 s ASN 573 Ca -0.16 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 3h44 s ASN 573 Cb -0.09 -1.44 0.11 0.00 0.41 0.00 0.00 41.25 40.24 3h44 s ASN 573 CO -0.01 0.25 0.12 -0.76 -1.51 0.00 0.00 177.10 175.19 3h44 s LEU 574 N -0.12 2.60 0.04 0.60 1.43 0.63 -1.02 118.68 122.86 3h44 s LEU 574 Ca 0.00 -1.89 0.02 0.00 -1.03 0.00 0.00 54.13 51.23 3h44 s LEU 574 Cb -0.13 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 3h44 s LEU 574 CO 0.03 -0.38 0.05 0.20 0.23 0.00 0.00 176.35 176.48 3h44 s ASN 575 N 1.29 5.39 -0.23 2.29 0.02 0.13 -1.58 114.94 122.23 3h44 s ASN 575 Ca 0.12 0.00 -0.03 0.00 -1.02 0.00 0.00 52.86 51.93 3h44 s ASN 575 Cb -0.19 -1.44 0.12 0.00 0.02 0.00 0.00 41.25 39.77 3h44 s ASN 575 CO -0.18 0.22 0.35 -0.36 0.02 0.00 0.00 177.10 177.15 3h44 s PHE 576 N -1.26 -0.72 -0.05 2.20 0.40 -0.08 -1.42 117.98 117.06 3h44 s PHE 576 Ca 0.25 0.73 -0.24 0.00 -0.60 0.00 0.00 56.93 57.06 3h44 s PHE 576 Cb -0.12 -0.05 -0.04 0.00 0.51 0.00 0.00 43.02 43.32 3h44 s PHE 576 CO 0.17 -0.69 0.75 -1.21 0.70 0.00 0.00 175.22 174.93 3h44 s GLU 577 N 2.50 4.46 -0.17 0.44 0.41 0.71 -1.50 118.70 125.54 3h44 s GLU 577 Ca 0.11 0.97 -0.04 0.00 -0.41 0.00 0.00 54.97 55.61 3h44 s GLU 577 Cb -0.15 -3.44 -0.03 0.00 -1.78 0.00 0.00 34.13 28.73 3h44 s GLU 577 CO -0.15 0.07 -0.03 -0.06 -0.49 0.00 0.00 175.26 174.60 3h44 s PHE 578 N 0.74 3.02 -0.18 1.61 0.40 0.24 -0.68 117.98 123.15 3h44 s PHE 578 Ca 0.40 -0.37 -0.08 0.00 -0.60 0.00 0.00 56.93 56.28 3h44 s PHE 578 Cb -0.18 -2.00 -0.04 0.00 0.51 0.00 0.00 43.02 41.31 3h44 s PHE 578 CO 0.20 -0.11 0.07 -0.06 0.70 0.00 0.00 175.22 176.02 3h44 s PHE 579 N 0.57 3.29 -0.11 0.36 0.08 -0.11 -1.16 117.98 120.90 3h44 s PHE 579 Ca -0.02 0.14 -0.06 0.00 0.12 0.00 0.00 56.93 57.10 3h44 s PHE 579 Cb -0.14 -2.07 0.04 0.00 -0.57 0.00 0.00 43.02 40.28 3h44 s PHE 579 CO 0.02 0.22 0.27 0.45 -0.10 0.00 0.00 175.22 176.08 3h44 s SER 580 N 0.25 -0.30 0.46 1.36 0.15 -0.31 -2.98 113.70 112.34 3h44 s SER 580 Ca 0.05 0.57 0.31 0.00 0.70 0.00 0.00 55.95 57.58 3h44 s SER 580 Cb -0.12 0.48 1.40 0.00 -1.71 0.00 0.00 66.02 66.07 3h44 s SER 580 CO -0.00 -0.16 1.70 1.55 1.20 0.00 0.00 173.24 177.53 3h44 h PRO 581 N 6.93 0.14 -0.02 5.44 0.13 -1.88 -2.69 132.00 140.04 3h44 h PRO 581 Ca -0.38 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3h44 h PRO 581 Cb 1.17 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3h44 h PRO 581 CO 0.36 0.09 0.00 1.19 -0.23 0.00 0.00 178.00 179.41 3h44 n PHE 582 N -4.48 0.02 0.10 1.56 3.01 -1.26 -2.66 117.46 113.76 3h44 n PHE 582 Ca 0.32 -0.01 -0.03 0.00 1.01 0.00 0.00 57.45 58.74 3h44 n PHE 582 Cb 1.30 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.79 3h44 n PHE 582 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h44 h ALA 583 N 4.01 0.62 0.00 4.37 0.00 -1.78 -3.39 119.26 123.10 3h44 h ALA 583 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 3h44 h ALA 583 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3h44 h ALA 583 CO 0.00 0.97 -0.19 0.98 0.00 0.00 0.00 179.25 181.02 3h44 n TYR 584 N -3.48 0.00 -0.25 0.00 4.19 -1.20 -3.26 117.16 113.16 3h44 n TYR 584 Ca -0.00 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.22 3h44 n TYR 584 Cb 0.79 0.02 0.23 0.00 0.49 0.00 0.00 39.34 40.86 3h44 n TYR 584 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 3h44 h VAL 585 N 4.67 1.18 -3.52 2.97 3.04 -1.71 -3.45 116.25 119.44 3h44 h VAL 585 Ca 0.00 -0.37 -0.05 0.00 -1.01 0.00 0.00 66.70 65.27 3h44 h VAL 585 Cb 1.15 0.02 -0.11 0.00 -2.01 0.00 0.00 31.29 30.34 3h44 h VAL 585 CO 0.00 0.19 -0.11 1.51 -1.01 0.00 0.00 177.57 178.16 3h44 s ASP 586 N -6.27 -0.14 0.28 3.17 -4.77 -1.26 -5.03 116.67 102.64 3h44 s ASP 586 Ca -0.11 -0.61 0.02 0.00 -3.30 0.00 0.00 52.55 48.55 3h44 s ASP 586 Cb 0.18 0.52 0.64 0.00 -1.09 0.00 0.00 42.92 43.17 3h44 s ASP 586 CO 0.79 -0.98 1.75 -0.65 0.70 0.00 0.00 175.17 176.78 3h44 h PRO 587 N 2.34 0.60 -0.57 2.11 0.11 -1.93 0.16 132.00 134.81 3h44 h PRO 587 Ca -0.30 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.83 3h44 h PRO 587 Cb 1.25 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3h44 h PRO 587 CO 0.42 0.40 0.38 1.25 -0.21 0.00 0.00 178.00 180.24 3h44 h LEU 588 N 0.62 0.49 0.06 2.35 5.85 -1.92 -1.03 115.31 121.73 3h44 h LEU 588 Ca 0.52 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.98 3h44 h LEU 588 Cb 0.81 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3h44 h LEU 588 CO -0.40 0.32 -1.23 0.45 -0.34 0.00 0.00 178.44 177.24 3h44 h HIS 589 N 0.56 0.24 0.03 1.25 3.86 -1.09 -2.77 115.15 117.22 3h44 h HIS 589 Ca 0.25 -0.17 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 3h44 h HIS 589 Cb 0.26 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 3h44 h HIS 589 CO -0.00 1.15 -0.07 0.77 0.86 0.00 0.00 177.93 180.64 3h44 h SER 590 N 0.04 -0.20 -1.01 2.45 0.02 -0.75 -1.03 113.55 113.06 3h44 h SER 590 Ca -0.11 0.03 0.25 0.00 -0.84 0.00 0.00 61.79 61.12 3h44 h SER 590 Cb 1.90 0.08 -0.08 0.00 0.14 0.00 0.00 62.40 64.43 3h44 h SER 590 CO 0.16 -0.11 0.66 0.78 -1.14 0.00 0.00 176.83 177.17 3h44 h ASN 591 N -0.14 0.42 0.13 3.07 4.21 -1.21 -0.10 115.58 121.95 3h44 h ASN 591 Ca 0.02 0.07 -0.28 0.00 1.21 0.00 0.00 56.30 57.32 3h44 h ASN 591 Cb 0.16 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 3h44 h ASN 591 CO -0.05 0.11 -1.39 0.24 -1.29 0.00 0.00 177.43 175.05 3h44 h MET 592 N 0.38 0.27 -0.52 0.81 2.86 -1.21 -2.36 114.93 115.15 3h44 h MET 592 Ca 0.56 -0.46 0.08 0.00 -2.06 0.00 0.00 59.70 57.83 3h44 h MET 592 Cb 1.45 0.17 -0.10 0.00 0.06 0.00 0.00 31.60 33.18 3h44 h MET 592 CO -0.25 1.22 -0.41 0.00 1.06 0.00 0.00 176.91 178.53 3h44 h ALA 593 N -0.02 -0.30 0.46 6.32 0.00 -0.83 0.12 119.26 125.01 3h44 h ALA 593 Ca -0.29 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3h44 h ALA 593 Cb 1.79 0.89 -0.00 0.00 0.00 0.00 0.00 17.79 20.47 3h44 h ALA 593 CO 0.08 -0.80 -0.25 -0.92 0.00 0.00 0.00 179.25 177.35 3h44 h TYR 594 N -0.25 -0.66 -0.76 0.00 3.20 -1.08 -2.43 116.97 114.99 3h44 h TYR 594 Ca 0.18 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.20 3h44 h TYR 594 Cb 0.57 0.23 -0.05 0.00 1.54 0.00 0.00 36.73 39.02 3h44 h TYR 594 CO -0.66 -0.40 0.51 -0.07 -1.64 0.00 0.00 178.16 175.90 3h44 h LEU 595 N -0.67 0.31 0.18 2.82 4.07 -1.19 -1.97 115.31 118.88 3h44 h LEU 595 Ca -0.06 0.02 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 3h44 h LEU 595 Cb 0.53 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.23 3h44 h LEU 595 CO 0.08 0.15 -0.09 0.22 -1.08 0.00 0.00 178.44 177.72 3h44 h TYR 596 N 0.33 -0.23 0.00 1.13 3.20 -0.29 -1.76 116.97 119.35 3h44 h TYR 596 Ca 0.37 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 3h44 h TYR 596 Cb 0.98 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 39.32 3h44 h TYR 596 CO -0.00 0.10 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.48 3h44 h LEU 597 N -0.57 0.00 -0.35 2.82 4.07 -1.18 0.89 115.31 120.98 3h44 h LEU 597 Ca -0.03 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.74 3h44 h LEU 597 Cb 0.43 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.16 3h44 h LEU 597 CO 0.04 0.07 -0.79 -0.33 -1.08 0.00 0.00 178.44 176.35 3h44 h GLU 598 N 0.00 0.37 0.14 1.13 4.39 -1.24 -1.44 114.58 117.93 3h44 h GLU 598 Ca -0.00 -0.33 -0.28 0.00 0.34 0.00 0.00 59.36 59.09 3h44 h GLU 598 Cb 0.12 0.08 0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3h44 h GLU 598 CO 0.01 0.99 -1.30 -0.07 -1.16 0.00 0.00 179.01 177.48 3h44 h LEU 599 N 0.24 0.45 0.66 1.33 3.38 -0.44 -0.86 115.31 120.06 3h44 h LEU 599 Ca -0.04 -0.49 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 3h44 h LEU 599 Cb 1.38 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 3h44 h LEU 599 CO 0.13 1.39 -0.45 0.25 0.09 0.00 0.00 178.44 179.86 3h44 h LEU 600 N 0.08 -1.15 -0.99 1.67 5.85 -0.82 -1.76 115.31 118.19 3h44 h LEU 600 Ca -0.16 0.07 0.15 0.00 0.84 0.00 0.00 57.88 58.78 3h44 h LEU 600 Cb 1.99 0.35 -0.09 0.00 0.37 0.00 0.00 40.66 43.27 3h44 h LEU 600 CO 0.20 -0.67 0.60 0.11 -0.34 0.00 0.00 178.44 178.35 3h44 h LYS 601 N -1.05 0.85 -0.29 1.25 1.57 -1.24 -0.65 116.57 117.00 3h44 h LYS 601 Ca -0.08 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 3h44 h LYS 601 Cb 0.86 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3h44 h LYS 601 CO 0.06 0.56 -0.12 0.22 -0.57 0.00 0.00 179.45 179.60 3h44 h ASP 602 N 0.88 0.48 0.51 0.86 1.82 -0.75 -1.55 116.42 118.66 3h44 h ASP 602 Ca 0.52 -0.12 -0.25 0.00 -0.39 0.00 0.00 57.03 56.79 3h44 h ASP 602 Cb 0.65 -0.13 -0.04 0.00 0.68 0.00 0.00 39.33 40.48 3h44 h ASP 602 CO -0.32 0.64 -1.67 -1.54 -1.61 0.00 0.00 179.24 174.74 3h44 n SER 603 N -4.20 0.78 0.32 2.28 3.41 -0.64 -3.54 113.62 112.02 3h44 n SER 603 Ca 0.01 0.36 0.21 0.00 -0.26 0.00 0.00 58.87 59.19 3h44 n SER 603 Cb 0.32 0.14 1.04 0.00 -0.26 0.00 0.00 64.21 65.45 3h44 n SER 603 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3h44 h LEU 604 N 0.00 0.00 -0.13 1.04 3.38 -1.03 -3.38 115.31 115.19 3h44 h LEU 604 Ca -0.26 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.75 3h44 h LEU 604 Cb 1.87 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.57 3h44 h LEU 604 CO 0.06 0.00 -0.14 -1.13 0.09 0.00 0.00 178.44 177.32 3h44 h ASN 605 N 0.00 -0.43 -0.65 -0.43 -0.73 -1.33 -1.43 115.58 110.59 3h44 h ASN 605 Ca 0.00 0.08 0.08 0.00 1.87 0.00 0.00 56.30 58.33 3h44 h ASN 605 Cb 0.17 0.21 -0.06 0.00 0.27 0.00 0.00 38.32 38.90 3h44 h ASN 605 CO 0.00 -0.18 0.32 -0.33 -0.37 0.00 0.00 177.43 176.87 3h44 h GLU 606 N -0.17 0.55 -0.44 6.67 5.08 -1.80 0.13 114.58 124.60 3h44 h GLU 606 Ca 0.09 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3h44 h GLU 606 Cb 0.30 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3h44 h GLU 606 CO -0.23 0.36 0.14 -0.92 -1.00 0.00 0.00 179.01 177.36 3h44 h TYR 607 N 0.56 0.64 0.00 4.33 3.20 -1.77 -3.30 116.97 120.64 3h44 h TYR 607 Ca 0.31 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.14 3h44 h TYR 607 Cb 0.29 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3h44 h TYR 607 CO -0.11 0.53 -0.71 0.00 -1.64 0.00 0.00 178.16 176.23 3h44 n ALA 608 N -2.47 3.11 0.01 1.82 0.00 -0.10 -3.94 120.51 118.94 3h44 n ALA 608 Ca 0.03 -0.30 -0.13 0.00 0.00 0.00 0.00 53.44 53.04 3h44 n ALA 608 Cb 0.17 -1.12 -0.09 0.00 0.00 0.00 0.00 19.45 18.41 3h44 n ALA 608 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3h44 h TYR 609 N 0.00 -0.03 -0.68 0.00 3.20 -1.27 -1.19 116.97 116.99 3h44 h TYR 609 Ca 0.00 -0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.02 3h44 h TYR 609 Cb 0.71 0.01 -0.11 0.00 1.54 0.00 0.00 36.73 38.88 3h44 h TYR 609 CO 0.00 0.39 0.03 0.00 -1.64 0.00 0.00 178.16 176.94 3h44 h ALA 610 N 0.49 0.72 -0.34 1.82 0.00 -1.73 -0.32 119.26 119.90 3h44 h ALA 610 Ca -0.00 0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3h44 h ALA 610 Cb 0.44 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3h44 h ALA 610 CO 0.01 -0.40 -0.09 0.00 0.00 0.00 0.00 179.25 178.77 3h44 h ALA 611 N 1.62 1.21 0.64 0.00 0.00 -1.63 -2.20 119.26 118.91 3h44 h ALA 611 Ca 0.37 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3h44 h ALA 611 Cb 0.62 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.27 3h44 h ALA 611 CO -0.58 0.51 -0.31 0.93 0.00 0.00 0.00 179.25 179.81 3h44 h GLU 612 N 0.53 -0.83 -1.36 0.00 4.39 0.17 0.11 114.58 117.59 3h44 h GLU 612 Ca 0.10 0.06 0.41 0.00 0.34 0.00 0.00 59.36 60.27 3h44 h GLU 612 Cb 0.48 0.19 -0.10 0.00 -0.10 0.00 0.00 28.75 29.22 3h44 h GLU 612 CO 0.03 -0.55 0.92 -0.07 -1.16 0.00 0.00 179.01 178.18 3h44 h LEU 613 N -0.88 0.19 -3.03 1.33 3.38 -1.14 0.62 115.31 115.78 3h44 h LEU 613 Ca -0.09 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3h44 h LEU 613 Cb 0.67 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 3h44 h LEU 613 CO 0.14 -0.07 0.07 0.00 0.09 0.00 0.00 178.44 178.68 3h44 n ALA 614 N -2.63 3.75 -1.37 1.53 0.00 -0.54 -4.90 120.51 116.34 3h44 n ALA 614 Ca 0.34 -1.56 -0.08 0.00 0.00 0.00 0.00 53.44 52.14 3h44 n ALA 614 Cb 1.40 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 3h44 n ALA 614 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h44 n GLY 615 N 0.30 0.85 3.15 0.00 0.00 0.21 -4.51 105.19 105.19 3h44 n GLY 615 Ca 0.25 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 3h44 n GLY 615 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h44 s LEU 616 N -1.90 2.19 0.05 0.99 0.20 -0.08 -2.22 118.68 117.92 3h44 s LEU 616 Ca 0.00 -0.61 -0.01 0.00 0.69 0.00 0.00 54.13 54.20 3h44 s LEU 616 Cb 0.00 -1.49 -0.04 0.00 -0.43 0.00 0.00 46.19 44.23 3h44 s LEU 616 CO 0.00 0.02 -0.03 -0.94 -0.29 0.00 0.00 176.35 175.11 3h44 s SER 617 N 1.17 0.51 0.16 3.68 1.04 -0.22 -2.47 113.70 117.57 3h44 s SER 617 Ca 0.02 -0.98 0.08 0.00 0.48 0.00 0.00 55.95 55.55 3h44 s SER 617 Cb -0.14 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 3h44 s SER 617 CO -0.09 -0.58 -0.17 -0.72 0.98 0.00 0.00 173.24 172.66 3h44 s TYR 618 N -3.80 1.69 -0.09 5.02 -0.00 -1.26 -1.12 117.35 117.78 3h44 s TYR 618 Ca 0.06 -0.51 -0.01 0.00 -0.00 0.00 0.00 57.07 56.62 3h44 s TYR 618 Cb 0.07 -0.85 0.03 0.00 -0.00 0.00 0.00 41.96 41.21 3h44 s TYR 618 CO -0.09 0.28 -0.04 0.34 -0.00 0.00 0.00 175.55 176.04 3h44 s ASP 619 N -2.69 1.89 -0.13 -0.18 2.15 0.27 -4.98 116.67 112.99 3h44 s ASP 619 Ca 0.15 -0.20 -0.04 0.00 0.43 0.00 0.00 52.55 52.89 3h44 s ASP 619 Cb -0.05 -0.64 0.05 0.00 -0.30 0.00 0.00 42.92 41.98 3h44 s ASP 619 CO 0.06 -0.16 0.08 -0.22 -0.17 0.00 0.00 175.17 174.76 3h44 s LEU 620 N 1.84 0.32 -0.00 -1.34 2.96 -1.26 -0.27 118.68 120.93 3h44 s LEU 620 Ca 0.05 -0.42 -0.13 0.00 -0.22 0.00 0.00 54.13 53.40 3h44 s LEU 620 Cb -0.12 -0.23 0.02 0.00 0.50 0.00 0.00 46.19 46.35 3h44 s LEU 620 CO -0.07 -0.32 0.28 0.00 -1.32 0.00 0.00 176.35 174.92 3h44 s GLN 621 N 2.13 0.66 0.30 1.98 -2.07 -0.67 -4.92 119.66 117.08 3h44 s GLN 621 Ca 0.03 -0.28 -0.29 0.00 -1.82 0.00 0.00 55.36 53.00 3h44 s GLN 621 Cb -0.15 0.29 -0.10 0.00 -1.09 0.00 0.00 33.01 31.96 3h44 s GLN 621 CO -0.07 -0.18 1.20 0.54 -1.32 0.00 0.00 175.29 175.46 3h44 s ASN 622 N -1.45 7.02 0.55 12.60 6.03 -1.26 -0.40 114.94 138.02 3h44 s ASN 622 Ca -0.12 2.48 0.03 0.00 -1.03 0.00 0.00 52.86 54.21 3h44 s ASN 622 Cb -0.05 -2.64 0.03 0.00 -3.03 0.00 0.00 41.25 35.56 3h44 s ASN 622 CO 0.03 -0.34 0.22 0.42 -2.03 0.00 0.00 177.10 175.40 3h44 s THR 623 N -1.13 1.29 -0.81 0.54 -4.23 0.39 -4.86 115.64 106.83 3h44 s THR 623 Ca 0.47 -1.73 0.21 0.00 -1.18 0.00 0.00 61.69 59.46 3h44 s THR 623 Cb -0.36 -2.02 0.20 0.00 1.34 0.00 0.00 72.50 71.67 3h44 s THR 623 CO 0.47 0.00 1.66 2.30 -0.54 0.00 0.00 174.62 178.51 3h44 n ILE 624 N -1.58 0.72 0.15 2.99 -5.35 -1.26 -3.33 119.36 111.69 3h44 n ILE 624 Ca -0.11 0.13 0.05 0.00 -0.27 0.00 0.00 62.75 62.54 3h44 n ILE 624 Cb 0.66 -0.91 -0.07 0.00 -1.74 0.00 0.00 39.64 37.58 3h44 n ILE 624 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3h44 n TYR 625 N -1.82 0.00 0.00 4.28 0.53 -1.26 -4.56 117.16 114.33 3h44 n TYR 625 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.92 3h44 n TYR 625 Cb 0.25 -0.15 0.00 0.00 -1.03 0.00 0.00 39.34 38.41 3h44 n TYR 625 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3h44 n GLY 626 N 1.70 -0.55 3.13 2.72 0.00 -1.21 -1.16 105.19 109.83 3h44 n GLY 626 Ca -0.01 0.30 -0.18 0.00 0.00 0.00 0.00 46.02 46.14 3h44 n GLY 626 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h44 s MET 627 N 0.00 0.78 -0.05 1.61 -1.94 -0.31 -0.46 119.30 118.93 3h44 s MET 627 Ca 0.00 -0.83 0.05 0.00 -1.71 0.00 0.00 55.69 53.20 3h44 s MET 627 Cb 0.00 -0.74 -0.02 0.00 2.01 0.00 0.00 34.83 36.08 3h44 s MET 627 CO 0.00 0.17 -0.19 -0.47 -0.01 0.00 0.00 175.02 174.52 3h44 s TYR 628 N -1.13 2.56 -0.08 -0.03 5.04 0.46 -0.59 117.35 123.58 3h44 s TYR 628 Ca -0.02 -0.35 -0.04 0.00 -2.44 0.00 0.00 57.07 54.21 3h44 s TYR 628 Cb -0.09 -1.60 0.04 0.00 0.35 0.00 0.00 41.96 40.65 3h44 s TYR 628 CO 0.02 0.04 0.19 -1.17 -1.34 0.00 0.00 175.55 173.28 3h44 s LEU 629 N -0.54 0.73 -0.02 6.97 1.98 -0.57 -1.66 118.68 125.57 3h44 s LEU 629 Ca 0.07 0.39 0.00 0.00 -2.89 0.00 0.00 54.13 51.71 3h44 s LEU 629 Cb -0.11 0.54 0.02 0.00 0.66 0.00 0.00 46.19 47.30 3h44 s LEU 629 CO 0.01 -0.14 0.01 -0.55 -1.89 0.00 0.00 176.35 173.79 3h44 s SER 630 N 0.99 0.16 -0.17 3.68 0.15 0.63 -0.90 113.70 118.24 3h44 s SER 630 Ca -0.07 0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.60 3h44 s SER 630 Cb -0.09 -0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.15 3h44 s SER 630 CO -0.06 -0.09 -0.21 -0.69 1.20 0.00 0.00 173.24 173.40 3h44 s VAL 631 N 0.78 2.05 0.16 4.45 1.01 -0.62 -0.57 120.40 127.67 3h44 s VAL 631 Ca -0.07 -0.95 0.10 0.00 0.00 0.00 0.00 61.98 61.06 3h44 s VAL 631 Cb -0.10 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3h44 s VAL 631 CO -0.02 0.54 -0.21 -0.54 0.00 0.00 0.00 175.10 174.87 3h44 s LYS 632 N 1.13 1.34 0.00 2.72 1.02 -0.28 -0.27 119.74 125.41 3h44 s LYS 632 Ca 0.01 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 54.59 3h44 s LYS 632 Cb -0.14 -1.55 0.00 0.00 -0.52 0.00 0.00 37.83 35.62 3h44 s LYS 632 CO -0.09 0.33 0.00 0.41 -0.92 0.00 0.00 175.35 175.08 3h44 n GLY 633 N 0.43 0.65 3.70 -3.33 0.00 -1.07 -1.05 105.19 104.52 3h44 n GLY 633 Ca -0.14 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 3h44 n GLY 633 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h44 n TYR 634 N 2.76 2.61 0.25 1.61 4.01 -0.94 -1.02 117.16 126.45 3h44 n TYR 634 Ca 0.00 -0.01 0.13 0.00 -0.16 0.00 0.00 57.90 57.86 3h44 n TYR 634 Cb 0.00 -2.68 0.62 0.00 -0.31 0.00 0.00 39.34 36.97 3h44 n TYR 634 CO 0.00 0.00 0.00 -2.95 -0.46 0.00 0.00 176.86 173.45 3h44 h ASN 635 N 7.51 0.00 -0.19 7.72 -1.07 -1.41 -3.36 115.58 124.77 3h44 h ASN 635 Ca -0.45 0.00 0.02 0.00 0.07 0.00 0.00 56.30 55.94 3h44 h ASN 635 Cb 1.22 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.44 3h44 h ASN 635 CO 0.94 0.14 -0.19 -0.78 0.07 0.00 0.00 177.43 177.61 3h44 h ASP 636 N 0.00 -0.66 -0.41 6.14 -0.00 -1.79 -2.42 116.42 117.27 3h44 h ASP 636 Ca -0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.03 57.12 3h44 h ASP 636 Cb 0.55 0.28 0.00 0.00 -0.00 0.00 0.00 39.33 40.15 3h44 h ASP 636 CO 0.02 -0.12 0.00 0.29 -0.00 0.00 0.00 179.24 179.43 3h44 n LYS 637 N -3.65 2.03 -0.12 0.28 4.76 -1.26 -4.50 118.16 115.69 3h44 n LYS 637 Ca -0.01 -1.51 -0.05 0.00 -2.87 0.00 0.00 58.31 53.87 3h44 n LYS 637 Cb 0.11 -1.35 0.03 0.00 -1.84 0.00 0.00 35.03 31.97 3h44 n LYS 637 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 3h44 h GLN 638 N 2.42 0.27 -0.99 1.97 4.15 -1.58 -0.67 115.11 120.68 3h44 h GLN 638 Ca 0.00 -0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.51 3h44 h GLN 638 Cb 0.60 -0.06 -0.08 0.00 0.21 0.00 0.00 27.48 28.15 3h44 h GLN 638 CO 0.01 0.18 0.62 -1.35 -1.93 0.00 0.00 178.83 176.36 3h44 h PRO 639 N 0.28 0.98 -0.39 -2.39 0.11 -1.79 -1.88 132.00 126.92 3h44 h PRO 639 Ca 0.19 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 66.27 3h44 h PRO 639 Cb 0.19 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.04 3h44 h PRO 639 CO -0.21 0.65 0.19 0.82 -0.21 0.00 0.00 178.00 179.25 3h44 h ILE 640 N 1.01 0.97 0.00 4.15 1.08 -1.45 -1.72 117.51 121.56 3h44 h ILE 640 Ca 0.48 -0.14 -0.00 0.00 -0.39 0.00 0.00 64.86 64.81 3h44 h ILE 640 Cb 0.41 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 34.71 3h44 h ILE 640 CO -0.25 0.07 -0.00 0.25 -0.69 0.00 0.00 178.15 177.54 3h44 h LEU 641 N 0.40 -0.00 -0.29 1.44 5.85 -1.15 -1.64 115.31 119.91 3h44 h LEU 641 Ca 0.17 -0.62 0.04 0.00 0.84 0.00 0.00 57.88 58.31 3h44 h LEU 641 Cb 0.08 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.03 3h44 h LEU 641 CO -0.12 0.62 -0.54 0.25 -0.34 0.00 0.00 178.44 178.31 3h44 h LEU 642 N -0.62 -1.77 -0.57 2.25 6.46 -1.38 -0.71 115.31 118.97 3h44 h LEU 642 Ca -0.00 0.22 0.10 0.00 -0.12 0.00 0.00 57.88 58.09 3h44 h LEU 642 Cb 0.62 0.71 -0.11 0.00 -0.73 0.00 0.00 40.66 41.15 3h44 h LEU 642 CO 0.00 -0.43 -0.32 0.50 -0.62 0.00 0.00 178.44 177.57 3h44 h LYS 643 N -0.46 -0.16 -0.82 1.25 3.11 -1.30 0.15 116.57 118.34 3h44 h LYS 643 Ca 0.05 0.01 0.10 0.00 -2.81 0.00 0.00 60.65 58.00 3h44 h LYS 643 Cb 0.61 0.04 -0.07 0.00 -1.00 0.00 0.00 32.23 31.81 3h44 h LYS 643 CO -0.52 -0.10 0.47 -0.22 -2.81 0.00 0.00 179.45 176.26 3h44 h LYS 644 N -0.16 0.76 0.51 1.90 1.63 -0.39 -0.57 116.57 120.25 3h44 h LYS 644 Ca 0.23 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.96 3h44 h LYS 644 Cb 0.54 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 3h44 h LYS 644 CO -0.66 0.50 -0.25 0.82 -3.45 0.00 0.00 179.45 176.41 3h44 h ILE 645 N 0.78 0.00 -0.77 2.00 2.04 0.46 0.36 117.51 122.38 3h44 h ILE 645 Ca 0.40 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.42 3h44 h ILE 645 Cb 0.37 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.34 3h44 h ILE 645 CO -0.25 0.00 0.25 0.40 0.00 0.00 0.00 178.15 178.55 3h44 h ILE 646 N -0.69 0.55 0.20 -0.67 1.08 -1.18 0.43 117.51 117.24 3h44 h ILE 646 Ca -0.07 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3h44 h ILE 646 Cb 0.53 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.44 3h44 h ILE 646 CO 0.11 0.06 -0.20 -0.08 -0.69 0.00 0.00 178.15 177.36 3h44 h GLU 647 N 0.35 -0.42 0.00 2.37 4.81 -0.99 -0.72 114.58 119.99 3h44 h GLU 647 Ca 0.44 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 3h44 h GLU 647 Cb 0.74 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.21 3h44 h GLU 647 CO -0.48 -0.28 0.00 -0.22 -0.73 0.00 0.00 179.01 177.31 3h44 h LYS 648 N -0.43 0.00 0.13 1.92 3.11 0.21 -2.68 116.57 118.82 3h44 h LYS 648 Ca -0.00 0.00 -0.35 0.00 -2.81 0.00 0.00 60.65 57.49 3h44 h LYS 648 Cb 0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.62 3h44 h LYS 648 CO -0.04 0.00 -1.88 1.98 -2.81 0.00 0.00 179.45 176.70 3h44 h MET 649 N 0.00 0.27 0.00 1.90 4.05 0.12 -2.55 114.93 118.72 3h44 h MET 649 Ca 0.00 -0.46 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 3h44 h MET 649 Cb 0.45 0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 3h44 h MET 649 CO 0.00 1.22 0.00 0.00 0.23 0.00 0.00 176.91 178.36 3h44 n ALA 650 N -3.00 2.58 -0.67 0.39 0.00 -0.31 -3.23 120.51 116.27 3h44 n ALA 650 Ca -0.30 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 52.96 3h44 n ALA 650 Cb 1.02 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.99 3h44 n ALA 650 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h44 n THR 651 N -1.02 0.18 -1.67 0.00 -2.24 -1.03 -4.40 114.28 104.10 3h44 n THR 651 Ca 0.22 -0.26 -0.46 0.00 -2.27 0.00 0.00 64.05 61.28 3h44 n THR 651 Cb 0.11 1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 69.51 3h44 n THR 651 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3h44 n PHE 652 N -0.09 2.32 -4.67 4.78 7.35 -0.96 -5.01 117.46 121.18 3h44 n PHE 652 Ca 0.00 0.19 -0.33 0.00 -0.76 0.00 0.00 57.45 56.55 3h44 n PHE 652 Cb 0.31 -2.58 -0.13 0.00 0.35 0.00 0.00 39.48 37.43 3h44 n PHE 652 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3h44 s GLU 653 N 1.52 3.12 0.26 -4.13 2.02 -1.26 -5.07 118.70 115.15 3h44 s GLU 653 Ca 0.81 -0.61 -0.27 0.00 0.02 0.00 0.00 54.97 54.92 3h44 s GLU 653 Cb -0.66 -2.64 -0.09 0.00 0.10 0.00 0.00 34.13 30.84 3h44 s GLU 653 CO 0.40 0.42 0.89 0.42 0.02 0.00 0.00 175.26 177.41 3h44 s ILE 654 N -0.16 4.22 -0.23 -1.63 1.01 -1.26 -5.04 121.20 118.11 3h44 s ILE 654 Ca 0.01 1.84 -0.17 0.00 0.00 0.00 0.00 60.65 62.33 3h44 s ILE 654 Cb -0.13 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 3h44 s ILE 654 CO 0.03 0.33 0.44 -0.62 0.00 0.00 0.00 174.94 175.13 3h44 s ASP 655 N -1.40 6.42 0.05 3.58 -1.08 -1.26 -5.01 116.67 117.98 3h44 s ASP 655 Ca 0.44 0.50 -0.09 0.00 -0.52 0.00 0.00 52.55 52.88 3h44 s ASP 655 Cb -0.22 -2.25 -0.02 0.00 -1.46 0.00 0.00 42.92 38.97 3h44 s ASP 655 CO 0.27 -0.17 0.89 1.21 0.52 0.00 0.00 175.17 177.88 3h44 n GLU 656 N 4.98 -0.13 -0.09 4.34 4.07 -1.26 -1.62 120.64 130.92 3h44 n GLU 656 Ca -0.07 0.88 -0.06 0.00 -0.06 0.00 0.00 57.16 57.85 3h44 n GLU 656 Cb 0.51 -1.30 0.00 0.00 -0.06 0.00 0.00 31.44 30.59 3h44 n GLU 656 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3h44 h LYS 657 N 0.00 0.07 0.10 5.31 6.56 -2.00 -2.06 116.57 124.56 3h44 h LYS 657 Ca 0.05 -0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.66 3h44 h LYS 657 Cb 0.12 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.72 3h44 h LYS 657 CO -0.28 0.04 -0.36 0.00 -2.06 0.00 0.00 179.45 176.79 3h44 h ARG 658 N 0.07 -0.56 -0.78 3.15 2.47 -1.82 -0.44 114.38 116.46 3h44 h ARG 658 Ca 0.15 0.04 0.17 0.00 -1.26 0.00 0.00 59.98 59.09 3h44 h ARG 658 Cb 0.22 0.13 -0.11 0.00 -1.65 0.00 0.00 29.97 28.55 3h44 h ARG 658 CO -0.28 -0.37 0.25 0.35 0.56 0.00 0.00 179.97 180.48 3h44 h PHE 659 N -0.58 0.40 -0.48 3.04 3.57 -1.06 0.31 116.94 122.15 3h44 h PHE 659 Ca 0.03 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 3h44 h PHE 659 Cb 0.62 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 3h44 h PHE 659 CO -0.33 -0.06 -0.02 1.49 -2.23 0.00 0.00 178.31 177.17 3h44 h GLU 660 N 0.33 0.85 -0.19 1.11 4.57 -0.77 -2.10 114.58 118.39 3h44 h GLU 660 Ca 0.45 -0.28 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 3h44 h GLU 660 Cb 0.79 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.30 3h44 h GLU 660 CO -0.50 0.91 0.00 0.82 -1.18 0.00 0.00 179.01 179.06 3h44 h ILE 661 N 0.71 1.25 -0.39 2.32 2.04 0.57 -2.59 117.51 121.42 3h44 h ILE 661 Ca 0.13 -0.85 -0.14 0.00 1.00 0.00 0.00 64.86 65.00 3h44 h ILE 661 Cb 0.54 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3h44 h ILE 661 CO 0.03 0.26 -0.30 0.40 0.00 0.00 0.00 178.15 178.53 3h44 h ILE 662 N 0.09 1.28 -0.35 -0.67 2.04 -0.48 -1.93 117.51 117.49 3h44 h ILE 662 Ca 0.05 -1.46 0.06 0.00 1.00 0.00 0.00 64.86 64.51 3h44 h ILE 662 Cb 0.38 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 3h44 h ILE 662 CO 0.01 0.49 0.04 0.50 0.00 0.00 0.00 178.15 179.19 3h44 h LYS 663 N 0.72 0.15 -0.68 2.37 3.64 -1.36 0.13 116.57 121.53 3h44 h LYS 663 Ca 0.08 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3h44 h LYS 663 Cb 0.86 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 3h44 h LYS 663 CO 0.08 0.10 0.29 1.49 -2.27 0.00 0.00 179.45 179.13 3h44 h GLU 664 N 0.15 1.01 -0.59 1.90 4.22 -1.21 -0.07 114.58 119.99 3h44 h GLU 664 Ca 0.17 -0.18 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 3h44 h GLU 664 Cb 0.21 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3h44 h GLU 664 CO -0.24 0.83 0.33 0.00 -2.18 0.00 0.00 179.01 177.75 3h44 h ALA 665 N 1.13 0.75 -0.40 2.92 0.00 -1.06 -2.55 119.26 120.05 3h44 h ALA 665 Ca 0.23 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 3h44 h ALA 665 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3h44 h ALA 665 CO -0.02 0.26 -0.25 -0.92 0.00 0.00 0.00 179.25 178.32 3h44 h TYR 666 N 0.80 0.95 -0.19 0.00 3.20 -0.36 0.11 116.97 121.47 3h44 h TYR 666 Ca 0.21 -0.23 0.02 0.00 3.14 0.00 0.00 58.73 61.87 3h44 h TYR 666 Cb 0.02 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 3h44 h TYR 666 CO -0.01 0.99 0.04 1.98 -1.64 0.00 0.00 178.16 179.51 3h44 h MET 667 N 0.72 0.11 0.26 1.82 4.05 -1.00 -0.19 114.93 120.70 3h44 h MET 667 Ca 0.09 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 3h44 h MET 667 Cb 0.78 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.55 3h44 h MET 667 CO 0.06 0.07 -0.16 0.00 0.23 0.00 0.00 176.91 177.11 3h44 h ARG 668 N 0.11 -0.40 -0.95 0.39 3.08 -1.22 -0.84 114.38 114.56 3h44 h ARG 668 Ca 0.08 0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.32 3h44 h ARG 668 Cb 0.07 0.09 -0.16 0.00 0.08 0.00 0.00 29.97 30.05 3h44 h ARG 668 CO -0.11 -0.26 -0.35 1.03 -1.07 0.00 0.00 179.97 179.21 3h44 h SER 669 N -0.41 -1.29 -0.27 7.04 0.87 -0.63 0.76 113.55 119.62 3h44 h SER 669 Ca -0.02 0.30 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3h44 h SER 669 Cb 0.35 0.70 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 3h44 h SER 669 CO 0.02 -0.30 0.11 -0.07 -0.53 0.00 0.00 176.83 176.07 3h44 h LEU 670 N -0.02 0.37 -1.45 2.23 3.38 -0.70 -2.56 115.31 116.55 3h44 h LEU 670 Ca 0.36 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.19 3h44 h LEU 670 Cb 0.62 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3h44 h LEU 670 CO -0.96 0.42 0.38 0.78 0.09 0.00 0.00 178.44 179.15 3h44 h ASN 671 N 0.29 0.63 0.38 -0.43 2.35 0.15 -2.85 115.58 116.10 3h44 h ASN 671 Ca 0.09 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3h44 h ASN 671 Cb 0.17 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3h44 h ASN 671 CO -0.01 0.45 0.00 0.59 -1.65 0.00 0.00 177.43 176.82 3h44 n ASN 672 N -4.45 0.20 0.13 5.81 5.03 0.25 -2.46 115.26 119.78 3h44 n ASN 672 Ca 0.06 0.56 0.05 0.00 0.87 0.00 0.00 54.58 56.12 3h44 n ASN 672 Cb 0.07 -0.60 0.49 0.00 -1.02 0.00 0.00 39.78 38.72 3h44 n ASN 672 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 3h44 h PHE 673 N 0.00 0.25 -0.95 3.10 3.57 -1.48 -2.56 116.94 118.87 3h44 h PHE 673 Ca 0.00 -0.00 0.40 0.00 3.53 0.00 0.00 57.97 61.89 3h44 h PHE 673 Cb 0.19 -0.08 -0.17 0.00 2.79 0.00 0.00 35.95 38.68 3h44 h PHE 673 CO 0.00 0.22 0.51 -2.13 -2.23 0.00 0.00 178.31 174.68 3h44 n ARG 674 N -4.43 -0.06 -0.21 1.11 0.63 -1.03 -1.01 116.66 111.66 3h44 n ARG 674 Ca -0.00 1.31 0.10 0.00 -0.92 0.00 0.00 57.85 58.34 3h44 n ARG 674 Cb 0.14 -2.35 0.26 0.00 0.45 0.00 0.00 32.46 30.96 3h44 n ARG 674 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3h44 n ALA 675 N -2.30 2.44 -1.58 5.13 0.00 -0.96 -4.39 120.51 118.83 3h44 n ALA 675 Ca 0.36 -0.88 -0.29 0.00 0.00 0.00 0.00 53.44 52.63 3h44 n ALA 675 Cb 1.22 -0.96 0.11 0.00 0.00 0.00 0.00 19.45 19.82 3h44 n ALA 675 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3h44 s GLU 676 N -1.44 1.64 0.40 0.00 0.41 -0.18 -4.94 118.70 114.59 3h44 s GLU 676 Ca 0.37 0.42 -0.26 0.00 -0.41 0.00 0.00 54.97 55.09 3h44 s GLU 676 Cb 0.20 -1.89 -0.09 0.00 -1.78 0.00 0.00 34.13 30.58 3h44 s GLU 676 CO 0.27 -1.88 1.26 -1.14 -0.49 0.00 0.00 175.26 173.28 3h44 s GLN 677 N -5.26 4.00 0.26 1.61 2.00 -1.26 -4.83 119.66 116.18 3h44 s GLN 677 Ca 0.62 2.05 -0.02 0.00 -2.00 0.00 0.00 55.36 56.01 3h44 s GLN 677 Cb -0.14 -2.74 0.52 0.00 0.80 0.00 0.00 33.01 31.45 3h44 s GLN 677 CO 0.53 -0.43 1.73 -1.35 -0.50 0.00 0.00 175.29 175.27 3h44 h PRO 678 N 2.68 0.45 -0.67 1.67 0.11 -1.90 -0.58 132.00 133.75 3h44 h PRO 678 Ca -0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3h44 h PRO 678 Cb 1.24 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3h44 h PRO 678 CO 0.63 0.30 0.38 1.12 -0.21 0.00 0.00 178.00 180.22 3h44 h HIS 679 N 0.46 0.89 -0.37 0.65 2.07 -1.87 -1.00 115.15 115.99 3h44 h HIS 679 Ca 0.45 -0.01 -0.08 0.00 -2.85 0.00 0.00 60.37 57.89 3h44 h HIS 679 Cb 0.71 -0.29 -0.01 0.00 2.57 0.00 0.00 27.41 30.39 3h44 h HIS 679 CO -0.15 0.61 -0.07 1.96 -3.07 0.00 0.00 177.93 177.21 3h44 h GLN 680 N 0.93 0.70 -0.76 5.12 4.20 -1.52 -2.57 115.11 121.22 3h44 h GLN 680 Ca 0.24 -0.26 0.15 0.00 0.06 0.00 0.00 58.65 58.84 3h44 h GLN 680 Cb -0.00 -0.05 -0.10 0.00 0.30 0.00 0.00 27.48 27.63 3h44 h GLN 680 CO -0.04 0.84 0.29 0.45 -0.67 0.00 0.00 178.83 179.70 3h44 h HIS 681 N 0.50 0.50 -0.46 2.96 3.86 -0.82 -1.09 115.15 120.59 3h44 h HIS 681 Ca 0.10 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3h44 h HIS 681 Cb 0.57 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.91 3h44 h HIS 681 CO 0.05 0.05 0.29 0.00 0.86 0.00 0.00 177.93 179.18 3h44 h ALA 682 N 1.56 0.59 -0.58 2.45 0.00 -0.89 -1.80 119.26 120.59 3h44 h ALA 682 Ca 0.42 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 3h44 h ALA 682 Cb 0.65 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3h44 h ALA 682 CO -0.42 0.06 0.05 0.52 0.00 0.00 0.00 179.25 179.47 3h44 h MET 683 N 0.62 0.96 0.20 0.00 2.07 -1.08 -2.23 114.93 115.47 3h44 h MET 683 Ca 0.17 -0.26 -0.01 0.00 -2.07 0.00 0.00 59.70 57.53 3h44 h MET 683 Cb -0.04 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 29.59 3h44 h MET 683 CO -0.03 0.92 -0.09 -0.92 1.07 0.00 0.00 176.91 177.85 3h44 h TYR 684 N 0.90 -0.25 -0.10 -0.22 3.20 -0.79 -1.17 116.97 118.55 3h44 h TYR 684 Ca 0.18 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 3h44 h TYR 684 Cb 0.45 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3h44 h TYR 684 CO 0.03 -0.15 -0.15 1.88 -1.64 0.00 0.00 178.16 178.13 3h44 h TYR 685 N -0.27 0.15 -0.32 -3.82 0.05 -1.29 -1.85 116.97 109.63 3h44 h TYR 685 Ca -0.03 -0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.60 3h44 h TYR 685 Cb 0.21 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 3h44 h TYR 685 CO -0.06 0.30 -0.35 1.25 -1.05 0.00 0.00 178.16 178.24 3h44 h LEU 686 N 0.14 0.76 -0.51 3.88 5.85 -0.98 0.64 115.31 125.09 3h44 h LEU 686 Ca 0.03 -0.33 -0.11 0.00 0.84 0.00 0.00 57.88 58.31 3h44 h LEU 686 Cb 0.35 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3h44 h LEU 686 CO 0.02 1.04 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.96 3h44 h ARG 687 N 0.60 0.99 -0.48 1.25 2.43 -0.77 -1.30 114.38 117.11 3h44 h ARG 687 Ca 0.06 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 3h44 h ARG 687 Cb 0.89 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.35 3h44 h ARG 687 CO 0.08 1.05 0.31 -0.07 -1.51 0.00 0.00 179.97 179.82 3h44 h LEU 688 N 0.85 0.55 -0.58 3.80 3.38 -1.10 -2.17 115.31 120.04 3h44 h LEU 688 Ca 0.13 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 3h44 h LEU 688 Cb 0.68 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3h44 h LEU 688 CO 0.05 0.42 -0.15 -0.07 0.09 0.00 0.00 178.44 178.78 3h44 h LEU 689 N 0.64 0.98 -0.24 1.67 3.38 -0.71 -3.31 115.31 117.73 3h44 h LEU 689 Ca 0.17 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3h44 h LEU 689 Cb -0.05 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.43 3h44 h LEU 689 CO -0.04 1.12 -0.49 0.23 0.09 0.00 0.00 178.44 179.36 3h44 n MET 690 N -4.13 0.37 -4.11 1.13 2.81 -0.50 -4.83 117.12 107.86 3h44 n MET 690 Ca 0.01 -0.24 -0.33 0.00 -1.81 0.00 0.00 57.70 55.33 3h44 n MET 690 Cb 0.42 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.36 3h44 n MET 690 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3h44 s THR 691 N -2.80 4.69 0.09 2.03 2.01 -0.83 -2.44 115.64 118.40 3h44 s THR 691 Ca 0.16 -0.44 -0.20 0.00 0.31 0.00 0.00 61.69 61.52 3h44 s THR 691 Cb 0.18 -3.15 -0.09 0.00 0.01 0.00 0.00 72.50 69.45 3h44 s THR 691 CO 0.65 0.34 1.63 -0.08 -0.69 0.00 0.00 174.62 176.47 3h44 h GLU 692 N 4.07 0.27 -4.46 4.92 4.81 -1.78 -3.40 114.58 119.00 3h44 h GLU 692 Ca -0.49 -0.05 -0.46 0.00 -0.13 0.00 0.00 59.36 58.24 3h44 h GLU 692 Cb 1.18 -0.04 -0.32 0.00 0.63 0.00 0.00 28.75 30.19 3h44 h GLU 692 CO 0.62 0.34 -0.79 0.08 -0.73 0.00 0.00 179.01 178.53 3h44 s VAL 693 N -5.55 0.86 -0.30 0.32 1.01 -1.26 -5.05 120.40 110.43 3h44 s VAL 693 Ca -0.14 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 3h44 s VAL 693 Cb 0.07 -0.80 0.19 0.00 0.00 0.00 0.00 36.38 35.84 3h44 s VAL 693 CO 0.70 0.28 0.74 0.00 0.00 0.00 0.00 175.10 176.83 3h44 s ALA 694 N 0.53 -2.73 0.47 5.51 0.00 -1.26 -5.08 121.76 119.19 3h44 s ALA 694 Ca -0.09 1.54 -0.21 0.00 0.00 0.00 0.00 51.96 53.19 3h44 s ALA 694 Cb -0.13 -2.39 -0.08 0.00 0.00 0.00 0.00 23.12 20.53 3h44 s ALA 694 CO 0.02 -1.54 1.08 -1.58 0.00 0.00 0.00 175.76 173.74 3h44 s TRP 695 N 2.88 2.97 0.24 0.00 0.23 -1.26 -4.97 118.94 119.03 3h44 s TRP 695 Ca 0.14 1.58 0.06 0.00 -2.03 0.00 0.00 56.10 55.84 3h44 s TRP 695 Cb -0.12 -3.19 -0.03 0.00 0.03 0.00 0.00 33.47 30.17 3h44 s TRP 695 CO -0.20 -1.06 0.31 0.95 0.96 0.00 0.00 176.95 177.91 3h44 s THR 696 N -1.78 5.03 0.53 2.01 -4.23 -1.26 -4.92 115.64 111.02 3h44 s THR 696 Ca 0.65 -1.10 0.22 0.00 -1.18 0.00 0.00 61.69 60.28 3h44 s THR 696 Cb -0.22 -3.73 0.34 0.00 1.34 0.00 0.00 72.50 70.24 3h44 s THR 696 CO 0.26 -0.33 2.07 0.11 -0.54 0.00 0.00 174.62 176.19 3h44 h LYS 697 N 1.28 0.00 -0.04 3.99 1.79 -1.96 0.48 116.57 122.11 3h44 h LYS 697 Ca -0.51 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 57.93 3h44 h LYS 697 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 3h44 h LYS 697 CO 0.61 0.00 -0.11 -0.44 -1.08 0.00 0.00 179.45 178.43 3h44 h ASP 698 N 0.00 0.17 0.08 0.86 3.32 -1.93 -0.25 116.42 118.67 3h44 h ASP 698 Ca 0.14 -0.60 0.02 0.00 0.02 0.00 0.00 57.03 56.60 3h44 h ASP 698 Cb 0.56 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 3h44 h ASP 698 CO -0.00 0.74 -0.21 -0.33 -1.72 0.00 0.00 179.24 177.72 3h44 h GLU 699 N -0.39 -0.36 -0.94 3.56 5.08 -1.61 -2.32 114.58 117.59 3h44 h GLU 699 Ca -0.00 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.47 3h44 h GLU 699 Cb 0.72 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.98 3h44 h GLU 699 CO 0.02 -0.24 0.59 -0.07 -1.00 0.00 0.00 179.01 178.31 3h44 h LEU 700 N -0.38 0.91 -0.49 1.33 3.38 -0.99 -1.84 115.31 117.24 3h44 h LEU 700 Ca 0.04 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3h44 h LEU 700 Cb 0.41 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3h44 h LEU 700 CO -0.14 0.55 0.07 0.50 0.09 0.00 0.00 178.44 179.52 3h44 h LYS 701 N 1.02 0.82 0.00 1.13 3.64 -0.51 -2.89 116.57 119.78 3h44 h LYS 701 Ca 0.43 -0.22 -0.07 0.00 -1.27 0.00 0.00 60.65 59.52 3h44 h LYS 701 Cb 0.28 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3h44 h LYS 701 CO -0.21 0.82 -0.68 1.05 -2.27 0.00 0.00 179.45 178.17 3h44 h GLU 702 N 0.69 0.00 0.00 1.90 4.11 -1.37 -3.11 114.58 116.79 3h44 h GLU 702 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 3h44 h GLU 702 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3h44 h GLU 702 CO 0.01 0.21 0.00 0.00 0.07 0.00 0.00 179.01 179.30 3h44 n ALA 703 N -2.22 2.50 0.03 1.06 0.00 -0.70 -3.92 120.51 117.27 3h44 n ALA 703 Ca -0.00 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.38 3h44 n ALA 703 Cb 0.66 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 18.77 3h44 n ALA 703 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3h44 n LEU 704 N -0.77 0.61 0.11 0.00 7.94 -1.10 -3.72 117.00 120.07 3h44 n LEU 704 Ca 0.12 0.26 -0.01 0.00 -1.11 0.00 0.00 56.01 55.26 3h44 n LEU 704 Cb 0.05 0.07 0.25 0.00 0.53 0.00 0.00 43.42 44.32 3h44 n LEU 704 CO 0.09 0.07 0.66 0.44 -1.11 0.00 0.00 177.39 177.55 3h44 h ASP 705 N 0.00 0.22 0.21 1.96 5.19 -1.75 -2.68 116.42 119.57 3h44 h ASP 705 Ca -0.13 -0.09 -0.06 0.00 -0.62 0.00 0.00 57.03 56.12 3h44 h ASP 705 Cb 1.40 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.84 3h44 h ASP 705 CO 0.02 0.60 -0.27 0.44 -3.12 0.00 0.00 179.24 176.91 3h44 h ASP 706 N 0.18 0.10 -2.18 6.45 3.32 -1.80 -3.42 116.42 119.06 3h44 h ASP 706 Ca 0.02 -0.03 -0.56 0.00 0.02 0.00 0.00 57.03 56.48 3h44 h ASP 706 Cb 0.78 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 3h44 h ASP 706 CO 0.06 0.37 1.42 -0.69 -1.72 0.00 0.00 179.24 178.68 3h44 s VAL 707 N -4.44 3.21 0.31 -1.35 1.01 -1.01 -4.98 120.40 113.15 3h44 s VAL 707 Ca -0.04 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.23 3h44 s VAL 707 Cb 0.15 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 3h44 s VAL 707 CO 0.73 -0.24 0.01 0.42 0.00 0.00 0.00 175.10 176.02 3h44 s THR 708 N 8.44 2.91 0.11 3.92 -4.23 -1.26 -5.02 115.64 120.50 3h44 s THR 708 Ca 0.89 -1.96 -0.31 0.00 -1.18 0.00 0.00 61.69 59.13 3h44 s THR 708 Cb -0.25 -2.79 -0.10 0.00 1.34 0.00 0.00 72.50 70.70 3h44 s THR 708 CO 0.32 -0.27 1.58 0.25 -0.54 0.00 0.00 174.62 175.96 3h44 h LEU 709 N 1.84 -1.33 -0.75 4.79 5.85 -2.00 -1.50 115.31 122.20 3h44 h LEU 709 Ca -0.43 0.15 0.14 0.00 0.84 0.00 0.00 57.88 58.58 3h44 h LEU 709 Cb 1.25 0.50 -0.14 0.00 0.37 0.00 0.00 40.66 42.65 3h44 h LEU 709 CO 0.64 -0.50 -0.30 1.55 -0.34 0.00 0.00 178.44 179.49 3h44 h PRO 710 N -0.65 -0.07 -0.07 5.25 0.13 -2.00 -1.52 132.00 133.08 3h44 h PRO 710 Ca 0.02 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.18 3h44 h PRO 710 Cb 0.69 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 3h44 h PRO 710 CO -0.28 -0.04 0.06 0.00 -0.23 0.00 0.00 178.00 177.50 3h44 h ARG 711 N -0.07 0.00 0.00 0.86 3.08 -1.69 -1.78 114.38 114.79 3h44 h ARG 711 Ca 0.31 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.31 3h44 h ARG 711 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3h44 h ARG 711 CO -0.80 0.00 -0.21 1.25 -1.07 0.00 0.00 179.97 179.14 3h44 h LEU 712 N 0.00 0.18 -0.55 3.04 6.46 -0.45 -2.27 115.31 121.71 3h44 h LEU 712 Ca 0.03 -0.80 0.11 0.00 -0.12 0.00 0.00 57.88 57.10 3h44 h LEU 712 Cb 0.15 -0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 39.93 3h44 h LEU 712 CO -0.00 0.96 0.01 0.11 -0.62 0.00 0.00 178.44 178.90 3h44 h LYS 713 N -0.58 0.12 -0.98 1.25 1.57 -1.12 0.25 116.57 117.09 3h44 h LYS 713 Ca -0.03 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3h44 h LYS 713 Cb 1.00 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.22 3h44 h LYS 713 CO 0.04 0.08 0.64 0.00 -0.57 0.00 0.00 179.45 179.64 3h44 h ALA 714 N 1.49 1.38 -0.76 3.86 0.00 -1.40 -3.24 119.26 120.59 3h44 h ALA 714 Ca 0.28 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3h44 h ALA 714 Cb 0.44 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3h44 h ALA 714 CO -0.46 0.52 0.28 0.35 0.00 0.00 0.00 179.25 179.94 3h44 h PHE 715 N 1.22 1.19 0.33 0.00 3.57 -0.34 -3.16 116.94 119.76 3h44 h PHE 715 Ca 0.39 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 3h44 h PHE 715 Cb 0.02 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.42 3h44 h PHE 715 CO -0.00 0.92 -0.16 0.82 -2.23 0.00 0.00 178.31 177.66 3h44 h ILE 716 N 1.12 0.66 0.00 1.41 2.04 -1.45 0.78 117.51 122.07 3h44 h ILE 716 Ca 0.25 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3h44 h ILE 716 Cb 0.25 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3h44 h ILE 716 CO -0.02 0.10 -0.19 -0.65 0.00 0.00 0.00 178.15 177.40 3h44 h PRO 717 N -0.76 0.00 -0.26 2.37 0.11 -1.71 0.32 132.00 132.08 3h44 h PRO 717 Ca -0.05 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 3h44 h PRO 717 Cb 0.51 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3h44 h PRO 717 CO 0.08 0.19 0.12 0.37 -0.21 0.00 0.00 178.00 178.54 3h44 h GLN 718 N 0.00 0.38 -0.37 1.05 -0.00 -1.44 0.31 115.11 115.04 3h44 h GLN 718 Ca -0.00 -0.06 -0.05 0.00 -0.00 0.00 0.00 58.65 58.54 3h44 h GLN 718 Cb 0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 27.87 3h44 h GLN 718 CO 0.02 0.39 0.04 1.25 0.00 0.00 0.00 178.83 180.53 3h44 h LEU 719 N 0.28 0.60 -0.43 -2.39 5.85 0.25 -3.18 115.31 116.29 3h44 h LEU 719 Ca 0.09 -0.27 -0.08 0.00 0.84 0.00 0.00 57.88 58.46 3h44 h LEU 719 Cb 0.14 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 3h44 h LEU 719 CO -0.01 0.72 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.37 3h44 h LEU 720 N 0.45 0.00 -1.61 2.25 3.38 -0.35 -3.35 115.31 116.09 3h44 h LEU 720 Ca 0.11 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.28 3h44 h LEU 720 Cb 0.39 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 3h44 h LEU 720 CO 0.01 0.37 0.58 0.77 0.09 0.00 0.00 178.44 180.26 3h44 h SER 721 N 0.00 0.33 -3.28 -0.43 4.64 -0.90 -3.40 113.55 110.51 3h44 h SER 721 Ca -0.00 0.03 -0.34 0.00 -0.47 0.00 0.00 61.79 61.01 3h44 h SER 721 Cb 1.12 -0.03 -0.38 0.00 -0.31 0.00 0.00 62.40 62.80 3h44 h SER 721 CO 0.05 0.14 -0.71 -0.13 -0.87 0.00 0.00 176.83 175.30 3h44 s ARG 722 N -5.34 -0.05 0.07 4.77 1.81 -1.26 -1.71 118.95 117.24 3h44 s ARG 722 Ca -0.08 0.40 -0.05 0.00 -1.72 0.00 0.00 55.73 54.29 3h44 s ARG 722 Cb 0.22 -0.42 -0.02 0.00 -0.45 0.00 0.00 34.95 34.28 3h44 s ARG 722 CO 0.78 -0.31 0.08 -0.51 -0.68 0.00 0.00 175.30 174.66 3h44 s LEU 723 N 2.07 1.95 -0.00 2.53 1.43 -1.13 -4.65 118.68 120.88 3h44 s LEU 723 Ca 0.03 -0.80 0.07 0.00 -1.03 0.00 0.00 54.13 52.40 3h44 s LEU 723 Cb -0.12 0.61 -0.02 0.00 0.03 0.00 0.00 46.19 46.69 3h44 s LEU 723 CO -0.04 -0.65 -0.22 -2.28 0.23 0.00 0.00 176.35 173.39 3h44 s HIS 724 N -3.76 1.99 -0.13 0.29 5.65 -1.16 -3.13 115.29 115.06 3h44 s HIS 724 Ca 0.05 -0.38 -0.00 0.00 0.25 0.00 0.00 55.06 54.97 3h44 s HIS 724 Cb 0.06 -1.27 -0.02 0.00 -1.18 0.00 0.00 32.58 30.17 3h44 s HIS 724 CO -0.10 -0.01 -0.11 0.42 -0.65 0.00 0.00 174.74 174.29 3h44 s ILE 725 N -0.58 3.23 -0.02 0.89 1.01 -0.50 -0.93 121.20 124.30 3h44 s ILE 725 Ca 0.09 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 60.18 3h44 s ILE 725 Cb -0.09 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 3h44 s ILE 725 CO -0.00 0.53 -0.16 -0.70 0.00 0.00 0.00 174.94 174.60 3h44 s GLU 726 N 0.22 2.35 -0.04 2.79 2.12 0.15 -0.95 118.70 125.34 3h44 s GLU 726 Ca -0.07 -0.79 -0.07 0.00 0.36 0.00 0.00 54.97 54.40 3h44 s GLU 726 Cb -0.15 -2.30 0.01 0.00 0.26 0.00 0.00 34.13 31.95 3h44 s GLU 726 CO 0.05 0.60 0.17 0.00 -0.54 0.00 0.00 175.26 175.53 3h44 s ALA 727 N -0.78 -0.41 -0.13 6.30 0.00 -0.92 -0.21 121.76 125.61 3h44 s ALA 727 Ca 0.12 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.37 3h44 s ALA 727 Cb -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.89 3h44 s ALA 727 CO 0.02 -0.14 -0.20 -1.17 0.00 0.00 0.00 175.76 174.27 3h44 s LEU 728 N -0.52 2.24 -0.26 0.00 0.20 -0.51 -0.82 118.68 119.02 3h44 s LEU 728 Ca -0.06 -0.53 0.02 0.00 0.69 0.00 0.00 54.13 54.25 3h44 s LEU 728 Cb -0.04 -1.47 0.06 0.00 -0.43 0.00 0.00 46.19 44.31 3h44 s LEU 728 CO 0.01 0.12 -0.07 -0.76 -0.29 0.00 0.00 176.35 175.36 3h44 s LEU 729 N 0.59 3.21 -0.09 -0.68 1.43 -0.08 0.17 118.68 123.25 3h44 s LEU 729 Ca -0.11 -1.39 0.04 0.00 -1.03 0.00 0.00 54.13 51.63 3h44 s LEU 729 Cb -0.16 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.65 3h44 s LEU 729 CO 0.03 -0.23 -0.21 -2.28 0.23 0.00 0.00 176.35 173.89 3h44 s HIS 730 N 1.20 2.28 -5.00 0.29 2.46 -0.18 -2.40 115.29 113.94 3h44 s HIS 730 Ca -0.06 -0.91 0.00 0.00 0.47 0.00 0.00 55.06 54.57 3h44 s HIS 730 Cb -0.19 -1.54 0.00 0.00 -0.13 0.00 0.00 32.58 30.71 3h44 s HIS 730 CO -0.06 -0.37 0.00 0.41 -2.47 0.00 0.00 174.74 172.24 3h44 n GLY 731 N 3.56 0.54 2.50 1.59 0.00 -0.98 0.09 105.19 112.49 3h44 n GLY 731 Ca -0.20 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 3h44 n GLY 731 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3h44 n ASN 732 N 0.00 6.73 -3.84 1.61 5.15 -0.79 -0.46 115.26 123.66 3h44 n ASN 732 Ca 0.00 -2.72 -0.13 0.00 -0.60 0.00 0.00 54.58 51.13 3h44 n ASN 732 Cb 0.00 -1.59 -0.07 0.00 -0.53 0.00 0.00 39.78 37.59 3h44 n ASN 732 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3h44 s ILE 733 N 2.35 0.00 0.25 -1.44 -5.25 -1.26 -4.86 121.20 110.98 3h44 s ILE 733 Ca 0.59 -1.77 0.11 0.00 -0.99 0.00 0.00 60.65 58.59 3h44 s ILE 733 Cb 0.16 -2.45 -0.05 0.00 2.95 0.00 0.00 42.46 43.07 3h44 s ILE 733 CO -0.07 0.00 -0.14 0.42 -1.79 0.00 0.00 174.94 173.36 3h44 s THR 734 N -3.80 2.81 0.26 8.37 -4.23 -1.26 -4.53 115.64 113.27 3h44 s THR 734 Ca 0.33 -2.11 -0.05 0.00 -1.18 0.00 0.00 61.69 58.69 3h44 s THR 734 Cb 0.03 -2.45 0.31 0.00 1.34 0.00 0.00 72.50 71.72 3h44 s THR 734 CO 0.15 -0.30 1.63 0.50 -0.54 0.00 0.00 174.62 176.05 3h44 h LYS 735 N 2.42 0.10 -0.46 3.99 3.64 -1.99 0.27 116.57 124.54 3h44 h LYS 735 Ca -0.43 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 58.86 3h44 h LYS 735 Cb 1.24 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 3h44 h LYS 735 CO 0.57 0.07 -0.06 1.96 -2.27 0.00 0.00 179.45 179.71 3h44 h GLN 736 N 0.10 0.80 -0.31 1.90 1.08 -1.99 -1.05 115.11 115.64 3h44 h GLN 736 Ca 0.46 -0.25 -0.12 0.00 -1.45 0.00 0.00 58.65 57.29 3h44 h GLN 736 Cb 0.85 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.19 3h44 h GLN 736 CO -0.71 0.85 -0.32 0.00 -0.95 0.00 0.00 178.83 177.69 3h44 h ALA 737 N 1.19 0.87 0.22 3.87 0.00 -1.21 -1.13 119.26 123.07 3h44 h ALA 737 Ca 0.13 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3h44 h ALA 737 Cb 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3h44 h ALA 737 CO 0.03 0.63 -0.11 0.00 0.00 0.00 0.00 179.25 179.81 3h44 h ALA 738 N 1.09 -0.30 -0.55 0.00 0.00 -0.24 0.23 119.26 119.49 3h44 h ALA 738 Ca 0.06 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.89 3h44 h ALA 738 Cb 0.82 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.64 3h44 h ALA 738 CO 0.07 -0.47 0.01 -0.07 0.00 0.00 0.00 179.25 178.79 3h44 h LEU 739 N -0.69 -0.22 -0.71 0.00 3.38 -1.20 0.27 115.31 116.13 3h44 h LEU 739 Ca -0.03 0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.17 3h44 h LEU 739 Cb 0.48 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 3h44 h LEU 739 CO 0.05 -0.08 0.34 1.23 0.09 0.00 0.00 178.44 180.07 3h44 h GLY 740 N 0.13 1.06 0.82 0.83 0.00 -0.83 0.14 103.07 105.22 3h44 h GLY 740 Ca 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3h44 h GLY 740 CO -0.46 0.03 0.02 -2.22 0.00 0.00 0.00 176.54 173.92 3h44 h ILE 741 N 0.57 1.18 -0.08 2.60 2.04 0.10 -1.07 117.51 122.85 3h44 h ILE 741 Ca 0.36 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.72 3h44 h ILE 741 Cb 0.40 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 3h44 h ILE 741 CO -0.29 0.15 -0.22 -0.03 0.00 0.00 0.00 178.15 177.77 3h44 h MET 742 N -0.06 -0.29 -0.36 2.37 4.05 -0.63 -1.38 114.93 118.63 3h44 h MET 742 Ca 0.03 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.54 3h44 h MET 742 Cb 0.22 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.02 3h44 h MET 742 CO -0.00 -0.20 -0.06 0.37 0.23 0.00 0.00 176.91 177.25 3h44 h GLN 743 N -0.30 0.03 -0.87 0.39 5.75 -0.66 -0.16 115.11 119.28 3h44 h GLN 743 Ca 0.08 -0.00 0.17 0.00 -0.15 0.00 0.00 58.65 58.75 3h44 h GLN 743 Cb 0.42 -0.01 -0.10 0.00 1.07 0.00 0.00 27.48 28.87 3h44 h GLN 743 CO -0.25 0.02 0.44 1.98 -2.65 0.00 0.00 178.83 178.36 3h44 h MET 744 N 0.03 0.56 0.67 1.69 4.05 -0.83 0.42 114.93 121.51 3h44 h MET 744 Ca 0.17 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.53 3h44 h MET 744 Cb 0.26 -0.13 0.01 0.00 -0.80 0.00 0.00 31.60 30.94 3h44 h MET 744 CO -0.34 0.37 -0.32 0.28 0.23 0.00 0.00 176.91 177.13 3h44 h VAL 745 N 0.58 0.10 -0.82 -5.77 2.07 0.04 -2.40 116.25 110.04 3h44 h VAL 745 Ca 0.49 -0.32 0.16 0.00 0.82 0.00 0.00 66.70 67.85 3h44 h VAL 745 Cb 0.77 0.13 -0.15 0.00 -1.52 0.00 0.00 31.29 30.52 3h44 h VAL 745 CO -0.40 0.01 -0.25 -0.33 0.02 0.00 0.00 177.57 176.62 3h44 h GLU 746 N -1.19 -0.02 -0.56 1.57 5.08 -0.95 -2.25 114.58 116.26 3h44 h GLU 746 Ca -0.09 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3h44 h GLU 746 Cb 0.71 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 3h44 h GLU 746 CO 0.15 -0.02 0.37 -0.44 -1.00 0.00 0.00 179.01 178.08 3h44 h ASP 747 N -0.03 0.64 0.22 1.42 3.45 -0.06 -0.86 116.42 121.20 3h44 h ASP 747 Ca 0.37 -0.02 -0.21 0.00 0.43 0.00 0.00 57.03 57.60 3h44 h ASP 747 Cb 0.60 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 3h44 h ASP 747 CO -0.85 0.46 -0.84 0.74 -1.57 0.00 0.00 179.24 177.19 3h44 h THR 748 N 0.76 1.37 -0.24 0.35 2.02 -0.89 -2.59 112.91 113.69 3h44 h THR 748 Ca 0.21 -2.24 -0.06 0.00 0.77 0.00 0.00 66.41 65.08 3h44 h THR 748 Cb -0.08 2.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 3h44 h THR 748 CO -0.05 0.68 -0.09 -0.07 0.37 0.00 0.00 175.52 176.37 3h44 h LEU 749 N 0.30 0.48 -0.83 2.58 3.38 -0.99 -1.16 115.31 119.08 3h44 h LEU 749 Ca -0.06 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.59 3h44 h LEU 749 Cb 1.45 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 42.00 3h44 h LEU 749 CO 0.15 0.76 0.51 0.40 0.09 0.00 0.00 178.44 180.35 3h44 h ILE 750 N 0.20 1.02 0.12 1.22 1.08 -1.20 0.17 117.51 120.12 3h44 h ILE 750 Ca 0.06 -0.32 -0.16 0.00 -0.39 0.00 0.00 64.86 64.05 3h44 h ILE 750 Cb 0.57 0.02 0.02 0.00 -3.07 0.00 0.00 36.82 34.35 3h44 h ILE 750 CO 0.03 0.17 -0.70 -0.08 -0.69 0.00 0.00 178.15 176.88 3h44 h GLU 751 N 0.93 0.27 0.00 2.37 4.81 -1.43 -2.78 114.58 118.74 3h44 h GLU 751 Ca 0.37 -0.44 -0.22 0.00 -0.13 0.00 0.00 59.36 58.94 3h44 h GLU 751 Cb 0.19 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 3h44 h GLU 751 CO -0.18 1.21 -1.45 0.45 -0.73 0.00 0.00 179.01 178.31 3h44 h HIS 752 N -0.44 0.00 -0.00 0.92 3.86 -1.23 -3.39 115.15 114.87 3h44 h HIS 752 Ca -0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3h44 h HIS 752 Cb 1.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.01 3h44 h HIS 752 CO 0.21 0.77 -0.12 0.00 0.86 0.00 0.00 177.93 179.65 3h44 n ALA 753 N -2.45 2.49 -3.41 2.45 0.00 0.50 -4.83 120.51 115.27 3h44 n ALA 753 Ca -0.11 -0.23 -0.24 0.00 0.00 0.00 0.00 53.44 52.85 3h44 n ALA 753 Cb 0.93 -0.14 0.05 0.00 0.00 0.00 0.00 19.45 20.29 3h44 n ALA 753 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3h44 n HIS 754 N -0.69 -2.34 -2.49 0.00 -0.00 -0.74 -4.45 115.22 104.52 3h44 n HIS 754 Ca 0.01 0.76 -0.42 0.00 -0.00 0.00 0.00 57.72 58.07 3h44 n HIS 754 Cb 0.07 -4.46 -0.03 0.00 -0.00 0.00 0.00 29.99 25.58 3h44 n HIS 754 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 3h44 s THR 755 N -3.23 4.25 0.22 1.59 2.01 -1.13 -4.85 115.64 114.51 3h44 s THR 755 Ca 0.48 1.61 0.06 0.00 0.31 0.00 0.00 61.69 64.14 3h44 s THR 755 Cb -0.22 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 3h44 s THR 755 CO 0.59 0.11 -0.08 -1.59 -0.69 0.00 0.00 174.62 172.96 3h44 s LYS 756 N 1.20 1.34 1.09 4.92 0.00 -0.69 -4.46 119.74 123.14 3h44 s LYS 756 Ca 0.57 -1.64 -0.15 0.00 0.00 0.00 0.00 55.97 54.75 3h44 s LYS 756 Cb -0.27 -0.91 0.23 0.00 0.00 0.00 0.00 37.83 36.89 3h44 s LYS 756 CO 0.28 0.05 1.09 -2.14 0.00 0.00 0.00 175.35 174.63 3h44 s PRO 757 N -3.74 -0.32 0.06 1.78 0.02 -1.26 -2.84 135.00 128.69 3h44 s PRO 757 Ca 0.25 0.31 0.03 0.00 0.02 0.00 0.00 61.00 61.60 3h44 s PRO 757 Cb 0.03 -1.67 -0.04 0.00 0.02 0.00 0.00 34.50 32.84 3h44 s PRO 757 CO 0.08 -3.19 0.06 -0.51 -0.33 0.00 0.00 177.00 173.11 3h44 s LEU 758 N -6.71 3.75 0.53 -5.54 1.02 -1.18 -4.59 118.68 105.95 3h44 s LEU 758 Ca 0.67 -0.01 -0.21 0.00 0.02 0.00 0.00 54.13 54.61 3h44 s LEU 758 Cb -0.16 -2.37 -0.05 0.00 0.02 0.00 0.00 46.19 43.63 3h44 s LEU 758 CO 0.57 0.20 1.24 -0.76 0.02 0.00 0.00 176.35 177.62 3h44 s LEU 759 N -2.20 3.86 0.18 1.79 2.01 -1.26 -4.92 118.68 118.15 3h44 s LEU 759 Ca 0.27 2.47 -0.13 0.00 0.01 0.00 0.00 54.13 56.75 3h44 s LEU 759 Cb -0.12 -4.36 0.14 0.00 0.01 0.00 0.00 46.19 41.86 3h44 s LEU 759 CO 0.19 -1.32 1.77 -0.65 1.01 0.00 0.00 176.35 177.35 3h44 h PRO 760 N 1.52 0.41 -0.48 1.29 0.11 -1.99 -2.56 132.00 130.29 3h44 h PRO 760 Ca -0.50 -0.02 0.14 0.00 0.11 0.00 0.00 66.00 65.72 3h44 h PRO 760 Cb 1.28 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3h44 h PRO 760 CO 0.58 0.27 0.34 0.66 -0.21 0.00 0.00 178.00 179.64 3h44 h SER 761 N 0.42 0.01 -0.33 -2.05 4.64 -2.06 -0.27 113.55 113.90 3h44 h SER 761 Ca 0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3h44 h SER 761 Cb 0.18 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3h44 h SER 761 CO -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.78 3h44 n GLN 762 N -4.40 1.83 -2.13 4.77 10.64 -0.97 -4.52 117.38 122.61 3h44 n GLN 762 Ca 0.08 -1.28 -0.41 0.00 -1.83 0.00 0.00 57.00 53.56 3h44 n GLN 762 Cb 0.55 -1.30 -0.00 0.00 -0.86 0.00 0.00 30.24 28.62 3h44 n GLN 762 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3h44 n LEU 763 N 0.53 7.48 -4.65 2.61 4.77 -0.11 -4.90 117.00 122.72 3h44 n LEU 763 Ca 0.13 -4.78 -0.40 0.00 -0.03 0.00 0.00 56.01 50.92 3h44 n LEU 763 Cb 0.31 -1.41 -0.06 0.00 -2.33 0.00 0.00 43.42 39.93 3h44 n LEU 763 CO 0.09 1.78 0.38 0.68 -1.33 0.00 0.00 177.39 178.99 3h44 s VAL 764 N -0.47 5.01 0.79 4.08 -7.23 -1.26 -5.09 120.40 116.24 3h44 s VAL 764 Ca 0.48 1.18 -0.11 0.00 -1.81 0.00 0.00 61.98 61.72 3h44 s VAL 764 Cb 0.15 -3.94 0.07 0.00 0.56 0.00 0.00 36.38 33.21 3h44 s VAL 764 CO -0.05 0.10 1.09 -0.13 -0.31 0.00 0.00 175.10 175.79 3h44 s ARG 765 N 2.00 2.11 0.31 4.82 1.81 -1.26 -5.06 118.95 123.68 3h44 s ARG 765 Ca 0.28 0.99 -0.03 0.00 -1.72 0.00 0.00 55.73 55.25 3h44 s ARG 765 Cb -0.16 -1.89 -0.04 0.00 -0.45 0.00 0.00 34.95 32.41 3h44 s ARG 765 CO 0.10 -1.69 0.55 0.71 -0.68 0.00 0.00 175.30 174.29 3h44 s TYR 766 N -2.96 3.49 0.18 -0.53 1.51 -1.26 -5.09 117.35 112.68 3h44 s TYR 766 Ca 0.61 0.52 0.07 0.00 -1.01 0.00 0.00 57.07 57.26 3h44 s TYR 766 Cb -0.16 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.63 3h44 s TYR 766 CO 0.56 0.14 0.04 1.03 -1.11 0.00 0.00 175.55 176.21 3h44 s ARG 767 N -3.88 2.54 0.07 -0.62 0.52 -1.26 -4.81 118.95 111.52 3h44 s ARG 767 Ca 0.42 -1.05 -0.19 0.00 -0.52 0.00 0.00 55.73 54.39 3h44 s ARG 767 Cb -0.10 -2.43 -0.07 0.00 0.52 0.00 0.00 34.95 32.87 3h44 s ARG 767 CO 0.33 0.46 0.56 -2.00 0.02 0.00 0.00 175.30 174.67 3h44 s GLU 768 N -3.02 4.17 0.30 3.54 2.12 -1.26 -2.24 118.70 122.31 3h44 s GLU 768 Ca 0.29 0.71 -0.29 0.00 0.36 0.00 0.00 54.97 56.03 3h44 s GLU 768 Cb -0.09 -3.23 -0.13 0.00 0.26 0.00 0.00 34.13 30.94 3h44 s GLU 768 CO 0.20 0.64 1.22 0.28 -0.54 0.00 0.00 175.26 177.06 3h44 n VAL 769 N 1.69 1.75 -3.52 3.70 0.31 -1.02 -0.27 118.33 120.97 3h44 n VAL 769 Ca -0.10 -0.44 -0.42 0.00 -0.01 0.00 0.00 64.34 63.37 3h44 n VAL 769 Cb 0.51 -1.34 -0.09 0.00 -0.91 0.00 0.00 33.84 32.01 3h44 n VAL 769 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3h44 s GLN 770 N -1.43 2.72 0.36 5.55 0.74 0.68 -4.73 119.66 123.55 3h44 s GLN 770 Ca 0.60 -1.47 -0.27 0.00 0.05 0.00 0.00 55.36 54.26 3h44 s GLN 770 Cb -0.64 -3.93 -0.09 0.00 1.10 0.00 0.00 33.01 29.45 3h44 s GLN 770 CO 0.59 -1.02 1.17 -0.51 -0.55 0.00 0.00 175.29 174.97 3h44 s LEU 771 N 1.49 4.32 0.38 3.68 1.02 -1.26 -4.20 118.68 124.11 3h44 s LEU 771 Ca 0.04 2.37 -0.26 0.00 0.02 0.00 0.00 54.13 56.29 3h44 s LEU 771 Cb -0.24 -3.86 -0.09 0.00 0.02 0.00 0.00 46.19 42.02 3h44 s LEU 771 CO 0.03 -0.50 1.22 -2.16 0.02 0.00 0.00 176.35 174.96 3h44 s PRO 772 N -2.00 4.11 -0.27 1.29 0.04 -1.26 -4.94 135.00 131.97 3h44 s PRO 772 Ca 0.52 1.98 -0.39 0.00 0.04 0.00 0.00 61.00 63.16 3h44 s PRO 772 Cb -0.32 -2.79 -0.14 0.00 0.04 0.00 0.00 34.50 31.28 3h44 s PRO 772 CO 0.41 -0.32 1.85 -0.25 0.04 0.00 0.00 177.00 178.74 3h44 n ASP 773 N 0.27 2.49 -0.03 6.66 10.43 -1.26 -1.04 116.55 134.07 3h44 n ASP 773 Ca 0.03 0.94 -0.00 0.00 2.57 0.00 0.00 54.79 58.33 3h44 n ASP 773 Cb 0.45 -1.19 -0.00 0.00 1.84 0.00 0.00 41.12 42.22 3h44 n ASP 773 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3h44 n ARG 774 N 6.11 -0.06 -2.88 -1.24 1.74 0.15 -4.92 116.66 115.57 3h44 n ARG 774 Ca 0.29 0.26 -0.34 0.00 -0.77 0.00 0.00 57.85 57.29 3h44 n ARG 774 Cb 0.17 -3.54 -0.07 0.00 -1.02 0.00 0.00 32.46 28.00 3h44 n ARG 774 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3h44 s GLY 775 N -2.47 2.51 -0.21 -0.13 0.00 -0.21 -4.99 107.32 101.82 3h44 s GLY 775 Ca 0.00 0.36 -0.04 0.00 0.00 0.00 0.00 44.72 45.03 3h44 s GLY 775 CO 0.00 0.67 0.09 0.86 0.00 0.00 0.00 173.10 174.73 3h44 s TRP 776 N -1.94 0.43 0.02 1.90 -0.00 -1.26 -2.19 118.94 115.90 3h44 s TRP 776 Ca 0.56 -0.61 0.02 0.00 -0.00 0.00 0.00 56.10 56.07 3h44 s TRP 776 Cb -0.12 -0.84 -0.04 0.00 -0.00 0.00 0.00 33.47 32.46 3h44 s TRP 776 CO 0.17 -0.62 0.01 -0.06 -0.00 0.00 0.00 176.95 176.45 3h44 s PHE 777 N 2.06 3.09 -0.05 5.86 0.40 -0.66 -1.04 117.98 127.64 3h44 s PHE 777 Ca 0.04 0.08 0.01 0.00 -0.60 0.00 0.00 56.93 56.46 3h44 s PHE 777 Cb -0.16 -1.65 0.02 0.00 0.51 0.00 0.00 43.02 41.73 3h44 s PHE 777 CO -0.17 0.48 -0.06 0.08 0.70 0.00 0.00 175.22 176.25 3h44 s VAL 778 N -1.15 0.68 0.02 -0.44 1.01 -0.61 -0.83 120.40 119.08 3h44 s VAL 778 Ca 0.21 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.04 3h44 s VAL 778 Cb -0.12 -0.68 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 3h44 s VAL 778 CO 0.12 0.26 -0.09 -0.47 0.00 0.00 0.00 175.10 174.92 3h44 s TYR 779 N 0.89 2.81 -0.09 5.22 5.04 -0.59 -1.71 117.35 128.92 3h44 s TYR 779 Ca -0.11 -0.10 -0.08 0.00 -2.44 0.00 0.00 57.07 54.34 3h44 s TYR 779 Cb -0.15 -1.56 0.03 0.00 0.35 0.00 0.00 41.96 40.63 3h44 s TYR 779 CO 0.01 0.35 0.24 1.14 -1.34 0.00 0.00 175.55 175.95 3h44 s GLN 780 N -1.52 0.26 0.16 4.97 -2.07 -1.26 -1.72 119.66 118.47 3h44 s GLN 780 Ca 0.17 0.36 0.00 0.00 -1.82 0.00 0.00 55.36 54.07 3h44 s GLN 780 Cb -0.11 0.09 -0.04 0.00 -1.09 0.00 0.00 33.01 31.86 3h44 s GLN 780 CO 0.08 -0.05 0.05 -0.65 -1.32 0.00 0.00 175.29 173.39 3h44 s GLN 781 N 0.30 1.05 -0.09 9.60 -1.52 -0.45 -4.99 119.66 123.56 3h44 s GLN 781 Ca -0.01 -1.51 -0.01 0.00 -1.95 0.00 0.00 55.36 51.87 3h44 s GLN 781 Cb -0.03 0.03 -0.03 0.00 -0.22 0.00 0.00 33.01 32.76 3h44 s GLN 781 CO -0.01 -0.23 -0.04 0.50 -0.25 0.00 0.00 175.29 175.27 3h44 s ARG 782 N -4.01 3.04 -0.12 2.91 3.52 -1.26 0.48 118.95 123.50 3h44 s ARG 782 Ca 0.26 -0.49 -0.26 0.00 -0.13 0.00 0.00 55.73 55.11 3h44 s ARG 782 Cb 0.07 -2.74 -0.02 0.00 -1.56 0.00 0.00 34.95 30.70 3h44 s ARG 782 CO 0.04 0.59 0.85 1.21 -0.81 0.00 0.00 175.30 177.18 3h44 s ASN 783 N -0.58 7.05 0.00 -2.12 2.47 -0.14 -4.86 114.94 116.75 3h44 s ASN 783 Ca 0.09 1.28 0.29 0.00 0.42 0.00 0.00 52.86 54.94 3h44 s ASN 783 Cb -0.12 -2.47 1.31 0.00 -1.45 0.00 0.00 41.25 38.52 3h44 s ASN 783 CO 0.02 -0.34 1.89 -0.62 -3.72 0.00 0.00 177.10 174.34 3h44 n GLU 784 N 4.79 1.32 -0.01 0.43 1.02 -1.26 -3.05 120.64 123.87 3h44 n GLU 784 Ca 0.04 -0.57 -0.05 0.00 -0.02 0.00 0.00 57.16 56.56 3h44 n GLU 784 Cb 0.49 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.41 3h44 n GLU 784 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3h44 n VAL 785 N -0.34 0.74 -3.07 2.62 0.31 -1.26 -4.91 118.33 112.42 3h44 n VAL 785 Ca 0.20 0.10 -0.40 0.00 -0.01 0.00 0.00 64.34 64.23 3h44 n VAL 785 Cb 0.27 -1.65 -0.05 0.00 -0.91 0.00 0.00 33.84 31.50 3h44 n VAL 785 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3h44 s HIS 786 N -2.15 3.49 -1.49 3.52 3.76 -1.26 -4.89 115.29 116.27 3h44 s HIS 786 Ca -0.07 1.12 -0.08 0.00 -0.15 0.00 0.00 55.06 55.87 3h44 s HIS 786 Cb 0.02 -2.81 -0.00 0.00 1.11 0.00 0.00 32.58 30.90 3h44 s HIS 786 CO 0.10 -0.03 2.73 -1.71 -0.85 0.00 0.00 174.74 174.97 3h44 n ASN 787 N 4.37 8.47 -3.67 1.40 5.15 -1.26 -2.14 115.26 127.58 3h44 n ASN 787 Ca -0.01 -2.81 -0.15 0.00 -0.60 0.00 0.00 54.58 51.01 3h44 n ASN 787 Cb 0.50 -1.47 -0.08 0.00 -0.53 0.00 0.00 39.78 38.20 3h44 n ASN 787 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3h44 s ASN 788 N 1.41 -0.46 0.42 1.20 2.47 -1.26 -4.78 114.94 113.94 3h44 s ASN 788 Ca 0.63 0.63 0.06 0.00 0.42 0.00 0.00 52.86 54.61 3h44 s ASN 788 Cb 0.18 0.67 0.01 0.00 -1.45 0.00 0.00 41.25 40.66 3h44 s ASN 788 CO -0.08 -0.39 0.58 -0.94 -3.72 0.00 0.00 177.10 172.56 3h44 s SER 789 N -0.66 5.70 0.04 -4.21 1.04 0.16 -3.56 113.70 112.21 3h44 s SER 789 Ca -0.08 -0.25 -0.01 0.00 0.48 0.00 0.00 55.95 56.10 3h44 s SER 789 Cb -0.03 -0.90 -0.03 0.00 0.10 0.00 0.00 66.02 65.16 3h44 s SER 789 CO 0.04 -0.73 -0.02 -0.83 0.98 0.00 0.00 173.24 172.69 3h44 s GLY 790 N -4.31 0.36 -0.23 7.32 0.00 0.11 -0.88 107.32 109.70 3h44 s GLY 790 Ca 0.52 -0.93 -0.11 0.00 0.00 0.00 0.00 44.72 44.20 3h44 s GLY 790 CO 0.34 -1.03 0.54 -1.50 0.00 0.00 0.00 173.10 171.45 3h44 s ILE 791 N -2.93 -0.26 -0.10 0.90 2.07 -0.58 0.18 121.20 120.49 3h44 s ILE 791 Ca -0.02 0.06 -0.01 0.00 -1.41 0.00 0.00 60.65 59.27 3h44 s ILE 791 Cb 0.01 -0.81 -0.03 0.00 0.13 0.00 0.00 42.46 41.76 3h44 s ILE 791 CO -0.06 0.02 -0.05 -0.70 -1.91 0.00 0.00 174.94 172.24 3h44 s GLU 792 N 1.89 3.11 -0.13 3.50 2.12 -0.91 -1.82 118.70 126.47 3h44 s GLU 792 Ca -0.08 -0.52 -0.00 0.00 0.36 0.00 0.00 54.97 54.73 3h44 s GLU 792 Cb -0.08 -2.73 -0.01 0.00 0.26 0.00 0.00 34.13 31.56 3h44 s GLU 792 CO -0.16 0.52 -0.13 0.42 -0.54 0.00 0.00 175.26 175.36 3h44 s ILE 793 N -0.40 3.05 -0.20 -3.70 1.01 0.18 -1.19 121.20 119.94 3h44 s ILE 793 Ca 0.06 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3h44 s ILE 793 Cb -0.12 -2.28 0.03 0.00 0.01 0.00 0.00 42.46 40.10 3h44 s ILE 793 CO 0.02 0.53 -0.17 -0.47 0.00 0.00 0.00 174.94 174.85 3h44 s TYR 794 N 0.34 2.86 -0.43 3.97 5.04 0.13 -1.74 117.35 127.50 3h44 s TYR 794 Ca -0.11 -1.80 -0.13 0.00 -2.44 0.00 0.00 57.07 52.59 3h44 s TYR 794 Cb -0.16 -1.89 0.06 0.00 0.35 0.00 0.00 41.96 40.32 3h44 s TYR 794 CO 0.06 -0.82 0.32 0.71 -1.34 0.00 0.00 175.55 174.47 3h44 s TYR 795 N 1.26 3.27 0.06 4.97 1.51 -0.23 -0.48 117.35 127.70 3h44 s TYR 795 Ca 0.01 -1.02 -0.25 0.00 -1.01 0.00 0.00 57.07 54.79 3h44 s TYR 795 Cb -0.15 -2.90 -0.06 0.00 -0.11 0.00 0.00 41.96 38.75 3h44 s TYR 795 CO -0.11 -0.75 0.78 -1.14 -1.11 0.00 0.00 175.55 173.22 3h44 s GLN 796 N 1.58 4.51 -0.15 -0.62 0.74 0.02 -0.26 119.66 125.47 3h44 s GLN 796 Ca 0.04 1.09 -0.14 0.00 0.05 0.00 0.00 55.36 56.40 3h44 s GLN 796 Cb -0.22 -3.35 -0.06 0.00 1.10 0.00 0.00 33.01 30.47 3h44 s GLN 796 CO 0.06 0.31 -0.29 0.25 -0.55 0.00 0.00 175.29 175.07 3h44 n THR 797 N 2.69 1.40 -3.97 -0.34 -2.24 0.27 -4.26 114.28 107.83 3h44 n THR 797 Ca -0.02 0.06 0.02 0.00 -2.27 0.00 0.00 64.05 61.83 3h44 n THR 797 Cb 0.50 -2.10 0.01 0.00 -2.10 0.00 0.00 70.33 66.64 3h44 n THR 797 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3h44 n ASP 798 N -4.21 -0.88 -4.67 3.42 2.03 -1.25 -5.04 116.55 105.95 3h44 n ASP 798 Ca -0.20 -1.17 -0.38 0.00 0.52 0.00 0.00 54.79 53.56 3h44 n ASP 798 Cb 0.53 1.36 0.06 0.00 -0.72 0.00 0.00 41.12 42.35 3h44 n ASP 798 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3h44 n MET 799 N -0.69 1.06 -1.83 -0.67 2.81 -1.26 -2.66 117.12 113.88 3h44 n MET 799 Ca 0.03 0.41 -0.40 0.00 -1.81 0.00 0.00 57.70 55.94 3h44 n MET 799 Cb 0.43 -2.34 0.01 0.00 -0.71 0.00 0.00 33.22 30.61 3h44 n MET 799 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3h44 s GLN 800 N -2.98 3.83 0.19 0.03 -0.21 0.27 -4.79 119.66 116.01 3h44 s GLN 800 Ca 0.78 2.42 -0.23 0.00 0.02 0.00 0.00 55.36 58.35 3h44 s GLN 800 Cb -0.41 -2.75 0.05 0.00 1.00 0.00 0.00 33.01 30.91 3h44 s GLN 800 CO 0.45 -0.70 0.69 -1.54 -2.12 0.00 0.00 175.29 172.06 3h44 s SER 801 N -0.45 -0.42 0.21 5.90 1.04 -1.26 -4.96 113.70 113.76 3h44 s SER 801 Ca 0.58 -0.25 -0.14 0.00 0.48 0.00 0.00 55.95 56.62 3h44 s SER 801 Cb -0.44 0.63 0.23 0.00 0.10 0.00 0.00 66.02 66.54 3h44 s SER 801 CO 0.57 -1.08 1.61 0.74 0.98 0.00 0.00 173.24 176.06 3h44 h THR 802 N 2.00 0.31 -0.10 2.02 2.02 -1.99 0.41 112.91 117.57 3h44 h THR 802 Ca -0.27 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 3h44 h THR 802 Cb 1.28 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3h44 h THR 802 CO 0.31 0.00 -0.06 0.77 0.37 0.00 0.00 175.52 176.91 3h44 h SER 803 N -0.03 0.22 -0.53 4.18 4.64 -1.98 -2.59 113.55 117.46 3h44 h SER 803 Ca 0.30 -0.43 -0.05 0.00 -0.47 0.00 0.00 61.79 61.15 3h44 h SER 803 Cb 0.50 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 3h44 h SER 803 CO -0.68 0.60 0.15 -0.08 -0.87 0.00 0.00 176.83 175.96 3h44 h GLU 804 N -0.16 0.83 -0.23 4.77 4.57 -1.83 -1.64 114.58 120.89 3h44 h GLU 804 Ca 0.02 -0.19 0.06 0.00 -1.18 0.00 0.00 59.36 58.07 3h44 h GLU 804 Cb 0.52 -0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 28.92 3h44 h GLU 804 CO 0.02 0.77 -0.35 -0.91 -1.18 0.00 0.00 179.01 177.36 3h44 h ASN 805 N 0.73 -1.12 0.43 1.04 -0.26 -0.93 -2.45 115.58 113.03 3h44 h ASN 805 Ca 0.17 0.17 -0.15 0.00 -0.56 0.00 0.00 56.30 55.93 3h44 h ASN 805 Cb 0.30 0.49 -0.01 0.00 -1.06 0.00 0.00 38.32 38.03 3h44 h ASN 805 CO -0.00 -0.36 -0.66 0.24 -1.06 0.00 0.00 177.43 175.59 3h44 h MET 806 N -0.37 0.21 0.30 0.81 2.86 -1.26 -1.10 114.93 116.38 3h44 h MET 806 Ca 0.12 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3h44 h MET 806 Cb 0.56 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 3h44 h MET 806 CO -0.44 0.80 -0.32 0.74 1.06 0.00 0.00 176.91 178.75 3h44 h PHE 807 N 0.15 -0.86 0.12 -0.22 0.04 -1.19 -1.87 116.94 113.11 3h44 h PHE 807 Ca -0.01 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.78 3h44 h PHE 807 Cb 1.19 0.34 -0.04 0.00 2.20 0.00 0.00 35.95 39.63 3h44 h PHE 807 CO 0.02 -0.45 -0.31 1.25 -0.60 0.00 0.00 178.31 178.22 3h44 h LEU 808 N -0.65 -0.88 -1.33 1.54 5.85 -1.17 -2.32 115.31 116.34 3h44 h LEU 808 Ca -0.01 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.88 3h44 h LEU 808 Cb 0.60 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 3h44 h LEU 808 CO -0.08 -0.40 0.51 -0.33 -0.34 0.00 0.00 178.44 177.80 3h44 h GLU 809 N -0.53 0.77 -0.03 1.25 5.08 -1.15 0.32 114.58 120.29 3h44 h GLU 809 Ca 0.03 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3h44 h GLU 809 Cb 0.56 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3h44 h GLU 809 CO -0.18 0.51 -0.06 1.25 -1.00 0.00 0.00 179.01 179.53 3h44 h LEU 810 N 0.80 0.10 -0.66 1.33 6.46 -1.17 -1.97 115.31 120.20 3h44 h LEU 810 Ca 0.34 -0.57 0.08 0.00 -0.12 0.00 0.00 57.88 57.61 3h44 h LEU 810 Cb 0.30 -0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.13 3h44 h LEU 810 CO -0.12 0.65 0.31 0.15 -0.62 0.00 0.00 178.44 178.82 3h44 h PHE 811 N -0.44 0.56 -0.57 1.25 3.04 -1.11 -0.08 116.94 119.59 3h44 h PHE 811 Ca 0.00 0.03 0.02 0.00 3.98 0.00 0.00 57.97 62.00 3h44 h PHE 811 Cb 0.64 -0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.96 3h44 h PHE 811 CO 0.12 0.21 0.38 0.00 -2.02 0.00 0.00 178.31 177.00 3h44 h ALA 812 N 1.40 1.66 -0.11 2.41 0.00 -0.82 -0.88 119.26 122.91 3h44 h ALA 812 Ca 0.32 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 3h44 h ALA 812 Cb 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3h44 h ALA 812 CO -0.26 0.30 -0.35 0.37 0.00 0.00 0.00 179.25 179.31 3h44 h GLN 813 N 0.71 0.42 -0.49 0.00 5.75 -0.56 -1.83 115.11 119.12 3h44 h GLN 813 Ca 0.22 -0.31 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 3h44 h GLN 813 Cb 0.01 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.59 3h44 h GLN 813 CO -0.05 0.94 0.22 0.82 -2.65 0.00 0.00 178.83 178.10 3h44 h ILE 814 N -0.01 1.20 -0.00 2.39 2.04 -0.24 -2.83 117.51 120.06 3h44 h ILE 814 Ca -0.01 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3h44 h ILE 814 Cb 0.98 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3h44 h ILE 814 CO 0.07 0.23 -0.18 2.30 0.00 0.00 0.00 178.15 180.57 3h44 n ILE 815 N -4.59 0.00 0.40 -0.67 -5.35 -0.41 -4.51 119.36 104.22 3h44 n ILE 815 Ca 0.02 -0.04 -0.17 0.00 -0.27 0.00 0.00 62.75 62.29 3h44 n ILE 815 Cb 0.13 -0.07 -0.08 0.00 -1.74 0.00 0.00 39.64 37.88 3h44 n ILE 815 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 3h44 h SER 816 N 0.39 -1.01 0.32 7.28 0.87 -1.06 0.29 113.55 120.63 3h44 h SER 816 Ca 0.00 0.05 -0.25 0.00 -1.23 0.00 0.00 61.79 60.36 3h44 h SER 816 Cb 0.42 0.28 0.01 0.00 -0.44 0.00 0.00 62.40 62.67 3h44 h SER 816 CO 0.00 -0.66 -1.04 1.05 -0.53 0.00 0.00 176.83 175.65 3h44 h GLU 817 N -1.06 0.45 -0.74 2.24 -0.00 -1.79 -2.90 114.58 110.78 3h44 h GLU 817 Ca -0.10 -0.53 0.16 0.00 -0.00 0.00 0.00 59.36 58.89 3h44 h GLU 817 Cb 0.84 0.16 -0.11 0.00 -0.00 0.00 0.00 28.75 29.64 3h44 h GLU 817 CO 0.13 1.18 0.15 -1.35 -0.00 0.00 0.00 179.01 179.12 3h44 h PRO 818 N 0.23 0.23 0.35 1.06 0.11 -1.79 0.52 132.00 132.71 3h44 h PRO 818 Ca -0.11 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 3h44 h PRO 818 Cb 1.69 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.73 3h44 h PRO 818 CO 0.18 0.15 -0.40 0.00 -0.21 0.00 0.00 178.00 177.72 3h44 h ALA 819 N 1.63 -0.84 -0.49 -0.75 0.00 -0.28 0.18 119.26 118.71 3h44 h ALA 819 Ca 0.42 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.28 3h44 h ALA 819 Cb 0.72 0.59 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 3h44 h ALA 819 CO -0.54 -1.02 0.12 0.35 0.00 0.00 0.00 179.25 178.16 3h44 h PHE 820 N -0.78 0.20 0.06 0.00 3.57 -1.29 -0.82 116.94 117.87 3h44 h PHE 820 Ca -0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3h44 h PHE 820 Cb 0.72 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.44 3h44 h PHE 820 CO -0.24 0.02 -0.03 -0.97 -2.23 0.00 0.00 178.31 174.86 3h44 h ASN 821 N 0.26 -0.07 -0.07 0.41 -0.00 0.67 -0.31 115.58 116.47 3h44 h ASN 821 Ca 0.24 -0.07 -0.02 0.00 -0.00 0.00 0.00 56.30 56.45 3h44 h ASN 821 Cb 0.30 0.02 -0.00 0.00 -0.00 0.00 0.00 38.32 38.64 3h44 h ASN 821 CO -0.29 0.02 -0.02 0.74 -0.00 0.00 0.00 177.43 177.88 3h44 h THR 822 N -0.16 1.31 0.07 -3.57 2.02 -0.52 0.46 112.91 112.52 3h44 h THR 822 Ca -0.01 -0.98 -0.26 0.00 0.77 0.00 0.00 66.41 65.94 3h44 h THR 822 Cb 0.13 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 3h44 h THR 822 CO 0.01 0.27 -1.24 -0.07 0.37 0.00 0.00 175.52 174.86 3h44 h LEU 823 N -0.21 0.24 0.00 2.58 4.07 -1.18 0.28 115.31 121.09 3h44 h LEU 823 Ca 0.02 -0.28 0.00 0.00 0.08 0.00 0.00 57.88 57.70 3h44 h LEU 823 Cb 0.44 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.10 3h44 h LEU 823 CO 0.01 1.23 0.00 -1.14 -1.08 0.00 0.00 178.44 177.45 3h44 n ARG 824 N -3.42 0.00 0.18 1.13 0.63 -0.15 -1.46 116.66 113.57 3h44 n ARG 824 Ca -0.07 0.05 -0.15 0.00 -0.92 0.00 0.00 57.85 56.75 3h44 n ARG 824 Cb 1.00 -0.52 -0.08 0.00 0.45 0.00 0.00 32.46 33.31 3h44 n ARG 824 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 3h44 h THR 825 N 0.00 0.18 0.03 5.15 2.02 -1.18 0.45 112.91 119.55 3h44 h THR 825 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3h44 h THR 825 Cb 0.00 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 3h44 h THR 825 CO 0.00 0.00 -0.02 0.11 0.37 0.00 0.00 175.52 175.98 3h44 h LYS 826 N -0.73 -0.04 0.00 6.66 1.57 -0.15 -3.38 116.57 120.49 3h44 h LYS 826 Ca -0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 3h44 h LYS 826 Cb 0.70 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3h44 h LYS 826 CO -0.16 -0.03 -0.17 0.93 -0.57 0.00 0.00 179.45 179.46 3h44 h GLU 827 N -0.07 0.00 -6.19 3.15 5.08 -0.53 -3.48 114.58 112.55 3h44 h GLU 827 Ca -0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.92 3h44 h GLU 827 Cb 0.03 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.33 3h44 h GLU 827 CO 0.01 0.17 -0.87 1.04 -1.00 0.00 0.00 179.01 178.35 3h44 n GLN 828 N -3.23 -3.51 0.02 2.33 1.13 0.16 -4.89 117.38 109.39 3h44 n GLN 828 Ca 0.01 0.54 -0.13 0.00 -1.94 0.00 0.00 57.00 55.48 3h44 n GLN 828 Cb 0.48 -4.81 -0.02 0.00 0.11 0.00 0.00 30.24 26.00 3h44 n GLN 828 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3h44 h LEU 829 N -1.82 0.70 -7.60 1.08 3.38 -1.45 -3.48 115.31 106.13 3h44 h LEU 829 Ca -0.63 -0.46 0.31 0.00 0.09 0.00 0.00 57.88 57.19 3h44 h LEU 829 Cb 1.36 -0.21 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 3h44 h LEU 829 CO 0.55 1.23 0.82 -0.83 0.09 0.00 0.00 178.44 180.30 3h44 s GLY 830 N -4.22 -0.24 0.12 0.83 0.00 -1.26 -3.95 107.32 98.60 3h44 s GLY 830 Ca -0.08 0.31 -0.16 0.00 0.00 0.00 0.00 44.72 44.79 3h44 s GLY 830 CO 0.87 2.44 1.61 -1.82 0.00 0.00 0.00 173.10 176.20 3h44 h TYR 831 N 2.00 0.63 -3.58 1.90 3.20 -1.82 -3.41 116.97 115.89 3h44 h TYR 831 Ca -0.27 -0.08 -0.66 0.00 3.14 0.00 0.00 58.73 60.86 3h44 h TYR 831 Cb 1.20 -0.18 -0.16 0.00 1.54 0.00 0.00 36.73 39.13 3h44 h TYR 831 CO 0.85 0.63 0.05 0.42 -1.64 0.00 0.00 178.16 178.47 3h44 s ILE 832 N -5.26 4.89 -0.06 1.81 1.01 -1.26 -5.01 121.20 117.33 3h44 s ILE 832 Ca -0.13 0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 3h44 s ILE 832 Cb 0.10 -4.15 0.04 0.00 0.01 0.00 0.00 42.46 38.45 3h44 s ILE 832 CO 0.76 -0.51 0.10 -0.69 0.00 0.00 0.00 174.94 174.60 3h44 s VAL 833 N 2.66 -0.15 -0.02 2.92 1.01 -1.26 -1.58 120.40 123.98 3h44 s VAL 833 Ca 0.21 0.33 -0.03 0.00 0.00 0.00 0.00 61.98 62.49 3h44 s VAL 833 Cb -0.15 -0.20 0.01 0.00 0.00 0.00 0.00 36.38 36.03 3h44 s VAL 833 CO 0.17 0.14 0.07 0.12 0.00 0.00 0.00 175.10 175.61 3h44 s PHE 834 N 1.89 -0.05 0.00 5.22 5.36 0.15 -4.90 117.98 125.66 3h44 s PHE 834 Ca 0.00 0.13 0.00 0.00 -0.96 0.00 0.00 56.93 56.10 3h44 s PHE 834 Cb -0.12 0.01 0.00 0.00 -0.34 0.00 0.00 43.02 42.57 3h44 s PHE 834 CO -0.04 -0.07 0.00 -1.13 -1.46 0.00 0.00 175.22 172.52 3h44 n SER 835 N 2.81 0.81 0.00 6.13 3.41 -1.26 -0.74 113.62 124.78 3h44 n SER 835 Ca -0.14 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 3h44 n SER 835 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3h44 n SER 835 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h44 n GLY 836 N 2.03 1.29 3.76 5.00 0.00 -1.14 -4.94 105.19 111.20 3h44 n GLY 836 Ca 0.00 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 3h44 n GLY 836 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h44 s PRO 837 N -1.63 3.64 -0.12 1.61 0.02 -1.26 -1.68 135.00 135.57 3h44 s PRO 837 Ca 0.00 2.15 -0.01 0.00 0.02 0.00 0.00 61.00 63.16 3h44 s PRO 837 Cb 0.00 -2.53 -0.02 0.00 0.02 0.00 0.00 34.50 31.97 3h44 s PRO 837 CO 0.00 -0.76 -0.08 0.50 -0.33 0.00 0.00 177.00 176.33 3h44 s ARG 838 N -2.55 3.33 -0.07 5.54 3.52 0.17 -4.75 118.95 124.14 3h44 s ARG 838 Ca 0.63 -0.59 0.03 0.00 -0.13 0.00 0.00 55.73 55.66 3h44 s ARG 838 Cb -0.38 -2.72 0.01 0.00 -1.56 0.00 0.00 34.95 30.30 3h44 s ARG 838 CO 0.47 0.34 -0.14 1.03 -0.81 0.00 0.00 175.30 176.19 3h44 s ARG 839 N 0.07 1.84 -0.24 5.12 3.00 -1.26 -1.87 118.95 125.61 3h44 s ARG 839 Ca -0.03 -0.47 -0.26 0.00 0.00 0.00 0.00 55.73 54.97 3h44 s ARG 839 Cb -0.14 -1.50 0.12 0.00 0.00 0.00 0.00 34.95 33.42 3h44 s ARG 839 CO 0.03 0.06 0.99 0.00 0.00 0.00 0.00 175.30 176.38 3h44 s ALA 840 N 0.58 -1.94 -0.22 2.13 0.00 -0.86 -4.95 121.76 116.50 3h44 s ALA 840 Ca -0.14 1.80 0.00 0.00 0.00 0.00 0.00 51.96 53.62 3h44 s ALA 840 Cb -0.16 -1.20 0.00 0.00 0.00 0.00 0.00 23.12 21.76 3h44 s ALA 840 CO 0.04 -0.26 0.00 0.09 0.00 0.00 0.00 175.76 175.63 3h44 n ASN 841 N 1.87 -1.25 0.00 0.00 3.02 -1.26 0.10 115.26 117.73 3h44 n ASN 841 Ca -0.12 0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 3h44 n ASN 841 Cb 0.56 -1.30 0.00 0.00 -0.61 0.00 0.00 39.78 38.43 3h44 n ASN 841 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h44 n GLY 842 N -0.39 1.40 4.00 7.41 0.00 -1.26 -4.52 105.19 111.82 3h44 n GLY 842 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 3h44 n GLY 842 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h44 s ILE 843 N -2.60 2.60 0.36 -0.61 -1.09 0.11 -0.56 121.20 119.42 3h44 s ILE 843 Ca 0.00 -0.80 -0.13 0.00 -2.23 0.00 0.00 60.65 57.48 3h44 s ILE 843 Cb 0.00 -2.80 0.04 0.00 -1.58 0.00 0.00 42.46 38.12 3h44 s ILE 843 CO 0.00 0.00 0.71 0.00 -1.23 0.00 0.00 174.94 174.42 3h44 s GLN 844 N -4.68 2.11 0.00 2.79 -2.07 -1.09 -2.02 119.66 114.70 3h44 s GLN 844 Ca 0.59 -1.46 0.00 0.00 -1.82 0.00 0.00 55.36 52.67 3h44 s GLN 844 Cb -0.09 0.58 0.00 0.00 -1.09 0.00 0.00 33.01 32.42 3h44 s GLN 844 CO 0.38 -0.96 0.00 0.41 -1.32 0.00 0.00 175.29 173.79 3h44 n GLY 845 N -0.53 -1.56 3.69 2.60 0.00 -0.78 -0.56 105.19 108.05 3h44 n GLY 845 Ca -0.06 -1.13 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 3h44 n GLY 845 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h44 s LEU 846 N 0.00 4.18 0.18 0.99 0.20 0.63 0.41 118.68 125.28 3h44 s LEU 846 Ca 0.00 0.42 0.09 0.00 0.69 0.00 0.00 54.13 55.33 3h44 s LEU 846 Cb 0.00 -2.37 -0.04 0.00 -0.43 0.00 0.00 46.19 43.34 3h44 s LEU 846 CO 0.00 0.02 -0.07 0.00 -0.29 0.00 0.00 176.35 176.01 3h44 s ARG 847 N 0.96 2.15 -0.04 1.98 3.03 -0.68 -1.07 118.95 125.28 3h44 s ARG 847 Ca 0.16 -1.24 0.02 0.00 2.03 0.00 0.00 55.73 56.70 3h44 s ARG 847 Cb -0.14 -2.21 0.01 0.00 -1.03 0.00 0.00 34.95 31.59 3h44 s ARG 847 CO 0.06 0.44 -0.08 -0.06 -1.13 0.00 0.00 175.30 174.52 3h44 s PHE 848 N -1.74 1.01 -0.08 5.89 0.40 -0.71 -2.88 117.98 119.87 3h44 s PHE 848 Ca 0.26 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.32 3h44 s PHE 848 Cb -0.09 -0.77 0.00 0.00 0.51 0.00 0.00 43.02 42.68 3h44 s PHE 848 CO 0.16 -0.17 -0.19 0.42 0.70 0.00 0.00 175.22 176.14 3h44 s ILE 849 N 0.52 1.67 -0.04 0.64 1.01 0.08 -0.65 121.20 124.43 3h44 s ILE 849 Ca -0.09 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.75 3h44 s ILE 849 Cb -0.12 -1.47 0.02 0.00 0.01 0.00 0.00 42.46 40.90 3h44 s ILE 849 CO 0.01 0.47 0.09 -0.63 0.00 0.00 0.00 174.94 174.88 3h44 s ILE 850 N 0.44 -0.03 -0.08 2.92 1.01 -0.75 -0.67 121.20 124.03 3h44 s ILE 850 Ca -0.16 0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.60 3h44 s ILE 850 Cb -0.17 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.13 3h44 s ILE 850 CO 0.07 0.05 -0.06 -1.58 0.00 0.00 0.00 174.94 173.41 3h44 s GLN 851 N 0.67 2.89 0.17 2.79 0.74 -0.61 -1.53 119.66 124.78 3h44 s GLN 851 Ca -0.05 -0.53 -0.23 0.00 0.05 0.00 0.00 55.36 54.60 3h44 s GLN 851 Cb -0.07 -2.65 0.06 0.00 1.10 0.00 0.00 33.01 31.44 3h44 s GLN 851 CO -0.03 0.62 0.72 0.45 -0.55 0.00 0.00 175.29 176.50 3h44 s SER 852 N -0.67 -0.40 0.02 6.67 0.15 -0.06 -4.13 113.70 115.28 3h44 s SER 852 Ca 0.10 -0.24 0.09 0.00 0.70 0.00 0.00 55.95 56.61 3h44 s SER 852 Cb -0.11 0.60 -0.23 0.00 -1.71 0.00 0.00 66.02 64.56 3h44 s SER 852 CO 0.02 -1.03 0.89 -0.08 1.20 0.00 0.00 173.24 174.24 3h44 h GLU 853 N 2.00 0.03 -7.19 5.44 4.81 -1.86 0.45 114.58 118.25 3h44 h GLU 853 Ca -0.26 -0.04 -0.52 0.00 -0.13 0.00 0.00 59.36 58.40 3h44 h GLU 853 Cb 1.27 0.02 0.13 0.00 0.63 0.00 0.00 28.75 30.80 3h44 h GLU 853 CO 0.31 0.74 0.37 0.15 -0.73 0.00 0.00 179.01 179.85 3h44 s LYS 854 N -2.64 2.43 0.61 1.92 -0.14 -1.26 -4.70 119.74 115.97 3h44 s LYS 854 Ca -0.03 1.55 -0.17 0.00 -1.36 0.00 0.00 55.97 55.96 3h44 s LYS 854 Cb 0.09 -1.89 -0.02 0.00 -1.68 0.00 0.00 37.83 34.32 3h44 s LYS 854 CO 0.82 -1.56 1.11 -1.25 -0.76 0.00 0.00 175.35 173.71 3h44 s PRO 855 N -4.05 3.03 0.18 -1.68 0.04 -1.26 -4.56 135.00 126.69 3h44 s PRO 855 Ca 0.70 1.45 -0.13 0.00 0.04 0.00 0.00 61.00 63.06 3h44 s PRO 855 Cb -0.24 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.43 3h44 s PRO 855 CO 0.44 -1.08 1.83 -1.35 0.04 0.00 0.00 177.00 176.88 3h44 h PRO 856 N 0.46 0.70 -0.96 0.56 0.11 -1.91 -1.06 132.00 129.91 3h44 h PRO 856 Ca -0.48 -0.04 0.28 0.00 0.11 0.00 0.00 66.00 65.87 3h44 h PRO 856 Cb 1.25 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3h44 h PRO 856 CO 0.55 0.46 0.83 1.12 -0.21 0.00 0.00 178.00 180.75 3h44 h HIS 857 N 0.72 0.00 0.00 0.65 2.07 -2.00 0.20 115.15 116.79 3h44 h HIS 857 Ca 0.22 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.63 3h44 h HIS 857 Cb -0.03 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.93 3h44 h HIS 857 CO -0.05 0.00 -0.60 -0.92 -3.07 0.00 0.00 177.93 173.29 3h44 h TYR 858 N 0.00 0.00 -0.34 6.12 3.20 -1.60 -3.36 116.97 120.98 3h44 h TYR 858 Ca 0.45 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.39 3h44 h TYR 858 Cb 2.10 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 40.29 3h44 h TYR 858 CO 0.00 1.06 -0.36 -0.07 -1.64 0.00 0.00 178.16 177.15 3h44 h LEU 859 N -1.00 -1.18 -0.81 2.82 4.07 -0.16 -1.54 115.31 117.50 3h44 h LEU 859 Ca -0.16 0.19 0.16 0.00 0.08 0.00 0.00 57.88 58.16 3h44 h LEU 859 Cb 1.02 0.53 -0.15 0.00 1.08 0.00 0.00 40.66 43.14 3h44 h LEU 859 CO -0.09 -0.35 -0.21 -0.62 -1.08 0.00 0.00 178.44 176.09 3h44 n GLU 860 N -5.42 -0.07 -0.21 1.13 -0.58 0.48 0.10 120.64 116.06 3h44 n GLU 860 Ca -0.00 1.27 -0.09 0.00 -0.42 0.00 0.00 57.16 57.92 3h44 n GLU 860 Cb 0.34 -1.90 0.02 0.00 -0.57 0.00 0.00 31.44 29.34 3h44 n GLU 860 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3h44 h SER 861 N 0.00 1.00 -0.45 1.62 4.64 -1.43 -2.15 113.55 116.77 3h44 h SER 861 Ca 0.39 -0.29 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 3h44 h SER 861 Cb 0.59 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.40 3h44 h SER 861 CO -0.84 1.04 0.04 0.03 -0.87 0.00 0.00 176.83 176.23 3h44 h ARG 862 N 0.93 0.78 -0.96 4.77 2.47 -0.14 0.82 114.38 123.05 3h44 h ARG 862 Ca 0.17 -0.23 0.02 0.00 -1.26 0.00 0.00 59.98 58.69 3h44 h ARG 862 Cb 0.51 -0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.70 3h44 h ARG 862 CO 0.02 0.82 0.63 0.28 0.56 0.00 0.00 179.97 182.28 3h44 h VAL 863 N 0.63 1.20 -0.29 2.04 2.07 -1.25 0.11 116.25 120.77 3h44 h VAL 863 Ca 0.13 -0.43 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 3h44 h VAL 863 Cb 0.44 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3h44 h VAL 863 CO 0.02 0.23 -0.16 -0.33 0.02 0.00 0.00 177.57 177.34 3h44 h GLU 864 N 1.25 0.63 -0.30 1.57 4.39 -0.67 -2.50 114.58 118.95 3h44 h GLU 864 Ca 0.37 -0.28 0.05 0.00 0.34 0.00 0.00 59.36 59.84 3h44 h GLU 864 Cb -0.06 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.53 3h44 h GLU 864 CO -0.10 0.87 -0.01 0.00 -1.16 0.00 0.00 179.01 178.61 3h44 h ALA 865 N 0.74 0.26 -0.61 3.43 0.00 0.94 -2.20 119.26 121.82 3h44 h ALA 865 Ca 0.06 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.18 3h44 h ALA 865 Cb 0.69 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3h44 h ALA 865 CO 0.05 -0.42 0.42 0.35 0.00 0.00 0.00 179.25 179.65 3h44 h PHE 866 N 0.08 0.36 -0.17 0.00 3.57 -0.58 -2.37 116.94 117.82 3h44 h PHE 866 Ca 0.15 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.50 3h44 h PHE 866 Cb 0.20 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 3h44 h PHE 866 CO -0.23 0.16 -0.53 1.25 -2.23 0.00 0.00 178.31 176.72 3h44 h LEU 867 N 0.32 0.53 0.21 0.59 5.85 -0.95 -1.74 115.31 120.14 3h44 h LEU 867 Ca 0.29 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3h44 h LEU 867 Cb 0.70 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3h44 h LEU 867 CO -0.07 0.96 -0.10 0.40 -0.34 0.00 0.00 178.44 179.29 3h44 h ILE 868 N 0.37 0.87 -1.44 4.05 2.04 -1.38 -1.98 117.51 120.04 3h44 h ILE 868 Ca 0.01 -0.66 0.42 0.00 1.00 0.00 0.00 64.86 65.63 3h44 h ILE 868 Cb 1.05 1.24 -0.06 0.00 -0.74 0.00 0.00 36.82 38.32 3h44 h ILE 868 CO 0.10 0.14 1.05 0.74 0.00 0.00 0.00 178.15 180.18 3h44 h THR 869 N -0.63 0.26 0.00 -0.27 2.02 -1.37 0.40 112.91 113.31 3h44 h THR 869 Ca -0.03 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.94 3h44 h THR 869 Cb 0.45 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 3h44 h THR 869 CO 0.05 0.00 -1.37 -0.03 0.37 0.00 0.00 175.52 174.54 3h44 h MET 870 N 0.00 0.00 -0.04 6.66 -1.53 -1.00 -2.43 114.93 116.60 3h44 h MET 870 Ca 0.68 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.90 3h44 h MET 870 Cb 2.78 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 33.83 3h44 h MET 870 CO -0.01 0.47 -0.13 1.49 0.14 0.00 0.00 176.91 178.87 3h44 h GLU 871 N 0.00 0.15 -0.99 0.39 4.81 0.49 -2.52 114.58 116.92 3h44 h GLU 871 Ca -0.17 -0.12 0.07 0.00 -0.13 0.00 0.00 59.36 59.01 3h44 h GLU 871 Cb 1.74 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 31.08 3h44 h GLU 871 CO 0.07 0.76 0.63 -0.22 -0.73 0.00 0.00 179.01 179.52 3h44 h LYS 872 N -0.42 1.10 -0.46 1.92 3.64 -1.35 -0.54 116.57 120.47 3h44 h LYS 872 Ca -0.01 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3h44 h LYS 872 Cb 0.78 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3h44 h LYS 872 CO 0.03 0.73 0.22 1.03 -2.27 0.00 0.00 179.45 179.19 3h44 h SER 873 N 1.13 0.57 0.35 4.20 0.87 -1.33 -1.67 113.55 117.67 3h44 h SER 873 Ca 0.43 -0.05 -0.32 0.00 -1.23 0.00 0.00 61.79 60.62 3h44 h SER 873 Cb 0.20 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3h44 h SER 873 CO -0.18 0.48 -1.66 0.40 -0.53 0.00 0.00 176.83 175.34 3h44 h ILE 874 N 0.64 1.00 -0.75 2.23 2.04 -1.00 -1.29 117.51 120.37 3h44 h ILE 874 Ca 0.16 -2.66 0.17 0.00 1.00 0.00 0.00 64.86 63.54 3h44 h ILE 874 Cb 0.07 2.70 -0.12 0.00 -0.74 0.00 0.00 36.82 38.72 3h44 h ILE 874 CO -0.02 0.81 0.08 -0.08 0.00 0.00 0.00 178.15 178.94 3h44 h GLU 875 N 0.07 0.15 0.00 2.37 4.57 -0.83 -2.69 114.58 118.22 3h44 h GLU 875 Ca -0.30 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 57.76 3h44 h GLU 875 Cb 2.04 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 30.58 3h44 h GLU 875 CO 0.15 0.10 -1.17 -0.44 -1.18 0.00 0.00 179.01 176.47 3h44 h ASP 876 N 0.16 0.00 -3.94 1.04 3.45 -1.38 -3.49 116.42 112.27 3h44 h ASP 876 Ca 0.42 0.00 -0.54 0.00 0.43 0.00 0.00 57.03 57.35 3h44 h ASP 876 Cb 0.75 0.00 0.10 0.00 -0.56 0.00 0.00 39.33 39.62 3h44 h ASP 876 CO -0.61 0.40 0.75 0.00 -1.57 0.00 0.00 179.24 178.21 3h44 s MET 877 N -3.05 4.11 1.04 3.56 0.23 -0.49 -4.91 119.30 119.79 3h44 s MET 877 Ca -0.01 2.50 -0.12 0.00 -1.03 0.00 0.00 55.69 57.03 3h44 s MET 877 Cb 0.09 -2.95 0.19 0.00 -1.53 0.00 0.00 34.83 30.63 3h44 s MET 877 CO 0.79 -0.50 0.96 0.25 -2.03 0.00 0.00 175.02 174.49 3h44 n THR 878 N 0.45 0.00 0.16 3.16 -2.24 -1.26 -4.82 114.28 109.73 3h44 n THR 878 Ca 0.01 -0.22 -0.07 0.00 -2.27 0.00 0.00 64.05 61.51 3h44 n THR 878 Cb 0.40 -0.94 -0.04 0.00 -2.10 0.00 0.00 70.33 67.65 3h44 n THR 878 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3h44 h GLU 879 N -2.21 -0.42 0.00 -0.78 4.57 -2.00 -3.06 114.58 110.68 3h44 h GLU 879 Ca -0.51 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 3h44 h GLU 879 Cb 1.30 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.99 3h44 h GLU 879 CO 0.43 -0.28 0.00 -0.85 -1.18 0.00 0.00 179.01 177.13 3h44 n GLU 880 N -3.34 0.99 0.18 1.92 -0.00 -1.26 -2.08 120.64 117.06 3h44 n GLU 880 Ca -0.05 0.00 -0.14 0.00 -0.00 0.00 0.00 57.16 56.96 3h44 n GLU 880 Cb 0.18 -1.49 -0.08 0.00 -0.00 0.00 0.00 31.44 30.05 3h44 n GLU 880 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3h44 h ALA 881 N 3.97 -0.42 -0.59 -1.84 0.00 -1.89 -2.16 119.26 116.32 3h44 h ALA 881 Ca 0.00 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.89 3h44 h ALA 881 Cb 0.00 0.16 -0.11 0.00 0.00 0.00 0.00 17.79 17.84 3h44 h ALA 881 CO 0.00 -0.67 -0.10 0.35 0.00 0.00 0.00 179.25 178.83 3h44 h PHE 882 N -0.56 -0.23 0.00 0.00 3.57 -1.32 -1.76 116.94 116.63 3h44 h PHE 882 Ca -0.04 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3h44 h PHE 882 Cb 0.41 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 3h44 h PHE 882 CO -0.02 -0.23 -0.10 0.37 -2.23 0.00 0.00 178.31 176.10 3h44 h GLN 883 N 0.03 0.00 -0.54 1.11 5.75 -1.46 -1.23 115.11 118.77 3h44 h GLN 883 Ca 0.29 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.73 3h44 h GLN 883 Cb 0.46 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.99 3h44 h GLN 883 CO -0.58 0.10 0.08 0.87 -2.65 0.00 0.00 178.83 176.65 3h44 h LYS 884 N 0.00 0.91 -0.40 1.69 1.57 -0.64 -1.64 116.57 118.05 3h44 h LYS 884 Ca -0.00 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 58.44 3h44 h LYS 884 Cb 0.43 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3h44 h LYS 884 CO 0.01 0.88 -0.11 0.45 -0.57 0.00 0.00 179.45 180.11 3h44 h HIS 885 N 0.79 0.89 -0.32 -1.35 3.86 -0.98 0.30 115.15 118.33 3h44 h HIS 885 Ca 0.16 -0.20 0.04 0.00 -1.16 0.00 0.00 60.37 59.22 3h44 h HIS 885 Cb 0.42 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.63 3h44 h HIS 885 CO 0.03 0.92 0.08 0.82 0.86 0.00 0.00 177.93 180.64 3h44 h ILE 886 N 0.60 0.86 -0.78 2.45 2.04 -1.39 -0.53 117.51 120.77 3h44 h ILE 886 Ca 0.10 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 3h44 h ILE 886 Cb 0.64 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3h44 h ILE 886 CO 0.04 0.04 0.40 -0.61 0.00 0.00 0.00 178.15 178.02 3h44 h GLN 887 N 0.20 1.10 -0.26 2.37 5.75 -0.91 0.38 115.11 123.73 3h44 h GLN 887 Ca 0.15 -0.14 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 3h44 h GLN 887 Cb 0.15 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 3h44 h GLN 887 CO -0.19 0.83 -0.01 0.00 -2.65 0.00 0.00 178.83 176.81 3h44 h ALA 888 N 1.21 0.36 0.14 3.38 0.00 -0.14 -1.72 119.26 122.48 3h44 h ALA 888 Ca 0.27 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3h44 h ALA 888 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3h44 h ALA 888 CO -0.04 0.11 -0.21 1.25 0.00 0.00 0.00 179.25 180.36 3h44 h LEU 889 N 0.25 -0.57 -0.51 0.00 6.46 -0.88 -2.48 115.31 117.57 3h44 h LEU 889 Ca 0.07 0.06 0.09 0.00 -0.12 0.00 0.00 57.88 57.98 3h44 h LEU 889 Cb 0.45 0.21 -0.10 0.00 -0.73 0.00 0.00 40.66 40.49 3h44 h LEU 889 CO 0.02 -0.30 -0.39 0.00 -0.62 0.00 0.00 178.44 177.15 3h44 h ALA 890 N 0.37 -0.26 -0.63 1.25 0.00 -0.81 -1.02 119.26 118.15 3h44 h ALA 890 Ca 0.02 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3h44 h ALA 890 Cb 0.42 0.86 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 3h44 h ALA 890 CO -0.10 -0.79 0.38 0.82 0.00 0.00 0.00 179.25 179.56 3h44 h ILE 891 N -0.24 1.04 -0.41 0.00 2.04 -1.20 -1.02 117.51 117.73 3h44 h ILE 891 Ca 0.18 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.87 3h44 h ILE 891 Cb 0.56 0.25 -0.08 0.00 -0.74 0.00 0.00 36.82 36.82 3h44 h ILE 891 CO -0.64 0.13 -0.09 0.03 0.00 0.00 0.00 178.15 177.59 3h44 h ARG 892 N 0.72 0.01 0.00 2.37 3.08 -0.88 -0.59 114.38 119.10 3h44 h ARG 892 Ca 0.26 -0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.19 3h44 h ARG 892 Cb 0.08 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3h44 h ARG 892 CO -0.13 0.01 -0.61 0.00 -1.07 0.00 0.00 179.97 178.17 3h44 h ARG 893 N 0.01 0.00 -0.44 0.04 2.47 -0.59 -3.14 114.38 112.73 3h44 h ARG 893 Ca 0.20 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.92 3h44 h ARG 893 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 3h44 h ARG 893 CO -0.41 0.61 0.00 1.28 0.56 0.00 0.00 179.97 182.01 3h44 n LEU 894 N -3.64 3.54 -4.66 3.04 4.77 -0.44 -4.88 117.00 114.72 3h44 n LEU 894 Ca -0.01 -1.58 -0.43 0.00 -0.03 0.00 0.00 56.01 53.97 3h44 n LEU 894 Cb 0.64 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 3h44 n LEU 894 CO 0.41 0.78 1.61 -0.67 -1.33 0.00 0.00 177.39 178.19 3h44 n ASP 895 N 1.51 4.11 -4.77 -1.43 -0.08 -0.25 -4.94 116.55 110.69 3h44 n ASP 895 Ca 0.20 0.89 -0.37 0.00 -1.51 0.00 0.00 54.79 54.00 3h44 n ASP 895 Cb 0.61 -1.52 -0.02 0.00 2.34 0.00 0.00 41.12 42.53 3h44 n ASP 895 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 3h44 s LYS 896 N 4.49 3.96 0.43 -0.67 -0.14 -1.26 -5.00 119.74 121.54 3h44 s LYS 896 Ca 0.90 1.73 -0.26 0.00 -1.36 0.00 0.00 55.97 56.98 3h44 s LYS 896 Cb -0.45 -2.53 -0.09 0.00 -1.68 0.00 0.00 37.83 33.08 3h44 s LYS 896 CO 0.43 -0.37 1.41 -2.14 -0.76 0.00 0.00 175.35 173.92 3h44 s PRO 897 N -2.51 3.82 -0.01 -1.68 0.02 -1.26 -4.96 135.00 128.42 3h44 s PRO 897 Ca 0.60 2.40 0.17 0.00 0.02 0.00 0.00 61.00 64.18 3h44 s PRO 897 Cb -0.28 -2.74 -0.23 0.00 0.02 0.00 0.00 34.50 31.27 3h44 s PRO 897 CO 0.34 -0.70 0.49 1.63 -0.33 0.00 0.00 177.00 178.43 3h44 n LYS 898 N -0.00 0.89 -4.22 5.54 4.76 -1.26 -4.94 118.16 118.93 3h44 n LYS 898 Ca 0.04 -0.10 -0.13 0.00 -2.87 0.00 0.00 58.31 55.25 3h44 n LYS 898 Cb 0.42 -1.36 -0.10 0.00 -1.84 0.00 0.00 35.03 32.15 3h44 n LYS 898 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 3h44 s LYS 899 N -2.95 1.00 0.13 1.97 -2.85 -1.26 -4.07 119.74 111.70 3h44 s LYS 899 Ca -0.02 -1.44 -0.26 0.00 -1.00 0.00 0.00 55.97 53.26 3h44 s LYS 899 Cb 0.11 -0.35 -0.03 0.00 -2.06 0.00 0.00 37.83 35.51 3h44 s LYS 899 CO 0.69 -0.03 1.62 1.25 0.10 0.00 0.00 175.35 178.98 3h44 h LEU 900 N 2.82 -0.93 -2.05 2.77 5.85 -1.95 -2.35 115.31 119.48 3h44 h LEU 900 Ca -0.36 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 3h44 h LEU 900 Cb 1.19 0.39 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 3h44 h LEU 900 CO 0.64 -0.35 -0.08 0.77 -0.34 0.00 0.00 178.44 179.08 3h44 h SER 901 N -0.40 0.00 -0.40 1.25 4.64 -1.98 0.59 113.55 117.25 3h44 h SER 901 Ca 0.09 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.39 3h44 h SER 901 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 3h44 h SER 901 CO -0.32 0.08 0.19 0.00 -0.87 0.00 0.00 176.83 175.92 3h44 h ALA 902 N 1.92 0.51 -0.03 5.18 0.00 -1.85 -1.68 119.26 123.31 3h44 h ALA 902 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3h44 h ALA 902 Cb 0.17 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3h44 h ALA 902 CO 0.01 0.07 0.01 1.49 0.00 0.00 0.00 179.25 180.83 3h44 h GLU 903 N 0.50 0.05 -0.81 0.00 4.81 -0.79 -2.85 114.58 115.49 3h44 h GLU 903 Ca 0.14 -0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.49 3h44 h GLU 903 Cb 0.11 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.39 3h44 h GLU 903 CO -0.02 0.25 0.41 0.77 -0.73 0.00 0.00 179.01 179.69 3h44 h SER 904 N -0.16 0.49 -0.37 1.04 0.02 -0.97 -0.39 113.55 113.21 3h44 h SER 904 Ca 0.01 0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3h44 h SER 904 Cb 0.22 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 3h44 h SER 904 CO -0.00 0.22 0.14 0.00 -1.14 0.00 0.00 176.83 176.05 3h44 h ALA 905 N 1.53 0.43 -0.96 3.77 0.00 -1.27 0.49 119.26 123.26 3h44 h ALA 905 Ca 0.43 0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.50 3h44 h ALA 905 Cb 0.58 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 3h44 h ALA 905 CO -0.34 -0.25 0.61 0.87 0.00 0.00 0.00 179.25 180.13 3h44 h LYS 906 N 0.29 0.90 0.13 0.00 1.57 -0.87 0.18 116.57 118.78 3h44 h LYS 906 Ca 0.17 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 3h44 h LYS 906 Cb 0.14 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3h44 h LYS 906 CO -0.16 0.60 -0.06 1.88 -0.57 0.00 0.00 179.45 181.13 3h44 h TYR 907 N 0.93 -0.17 -0.70 -1.35 0.99 -0.47 -3.21 116.97 112.99 3h44 h TYR 907 Ca 0.46 -0.00 0.15 0.00 2.00 0.00 0.00 58.73 61.34 3h44 h TYR 907 Cb 0.49 0.06 -0.11 0.00 1.00 0.00 0.00 36.73 38.16 3h44 h TYR 907 CO -0.00 0.30 0.10 2.35 -0.00 0.00 0.00 178.16 180.91 3h44 h TRP 908 N -0.86 0.14 -0.52 4.88 2.91 0.30 -0.77 115.95 122.03 3h44 h TRP 908 Ca -0.02 0.04 0.06 0.00 1.13 0.00 0.00 58.89 60.10 3h44 h TRP 908 Cb 0.54 0.05 -0.09 0.00 -0.51 0.00 0.00 29.16 29.15 3h44 h TRP 908 CO 0.10 -0.13 -0.53 0.78 -1.03 0.00 0.00 178.44 177.62 3h44 h GLY 909 N 0.20 -1.04 0.17 2.65 0.00 -0.72 0.42 103.07 104.75 3h44 h GLY 909 Ca 0.39 0.75 0.21 0.00 0.00 0.00 0.00 47.33 48.67 3h44 h GLY 909 CO -0.53 -0.12 0.62 0.83 0.00 0.00 0.00 176.54 177.34 3h44 h GLU 910 N -0.28 0.54 0.12 4.80 4.39 -1.19 -1.95 114.58 121.01 3h44 h GLU 910 Ca 0.09 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3h44 h GLU 910 Cb 0.52 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3h44 h GLU 910 CO -0.64 0.36 -0.06 0.82 -1.16 0.00 0.00 179.01 178.33 3h44 h ILE 911 N 0.55 0.00 0.00 3.13 2.04 0.69 0.62 117.51 124.54 3h44 h ILE 911 Ca 0.53 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 3h44 h ILE 911 Cb 1.11 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3h44 h ILE 911 CO -0.27 0.00 -0.04 0.16 0.00 0.00 0.00 178.15 177.99 3h44 h ILE 912 N -0.53 0.53 0.00 -0.67 -2.65 -0.37 0.49 117.51 114.31 3h44 h ILE 912 Ca -0.02 -0.19 0.00 0.00 1.03 0.00 0.00 64.86 65.69 3h44 h ILE 912 Cb 0.12 1.12 0.00 0.00 -2.05 0.00 0.00 36.82 36.01 3h44 h ILE 912 CO 0.03 0.04 0.00 -1.54 0.03 0.00 0.00 178.15 176.71 3h44 n SER 913 N -3.77 0.00 -0.18 2.16 3.41 -0.73 -4.92 113.62 109.58 3h44 n SER 913 Ca -0.03 0.02 -0.02 0.00 -0.26 0.00 0.00 58.87 58.58 3h44 n SER 913 Cb 0.14 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 63.74 3h44 n SER 913 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h44 n GLN 914 N -1.33 -0.66 -0.05 4.33 1.13 0.16 -4.88 117.38 116.07 3h44 n GLN 914 Ca 0.12 0.36 0.01 0.00 -1.94 0.00 0.00 57.00 55.56 3h44 n GLN 914 Cb 0.25 -4.00 -0.16 0.00 0.11 0.00 0.00 30.24 26.44 3h44 n GLN 914 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3h44 n GLN 915 N -1.93 0.68 -2.35 -1.09 6.02 -0.72 -3.97 117.38 114.02 3h44 n GLN 915 Ca -0.02 -0.11 -0.15 0.00 -0.01 0.00 0.00 57.00 56.70 3h44 n GLN 915 Cb 0.20 -1.52 -0.01 0.00 1.02 0.00 0.00 30.24 29.93 3h44 n GLN 915 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3h44 n TYR 916 N -2.49 -1.19 -3.45 1.08 4.02 0.13 -2.62 117.16 112.64 3h44 n TYR 916 Ca -0.18 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.30 3h44 n TYR 916 Cb 0.84 -3.18 -0.03 0.00 -0.02 0.00 0.00 39.34 36.96 3h44 n TYR 916 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 3h44 s ASN 917 N -2.06 6.81 0.42 7.72 2.47 -1.26 -4.70 114.94 124.33 3h44 s ASN 917 Ca 0.00 -3.63 0.23 0.00 0.42 0.00 0.00 52.86 49.88 3h44 s ASN 917 Cb 0.00 -2.09 0.68 0.00 -1.45 0.00 0.00 41.25 38.39 3h44 s ASN 917 CO 0.00 -0.25 1.72 -0.26 -3.72 0.00 0.00 177.10 174.59 3h44 h PHE 918 N 6.43 0.00 -0.49 0.43 0.04 -1.96 -2.81 116.94 118.58 3h44 h PHE 918 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 3h44 h PHE 918 Cb 0.85 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.00 3h44 h PHE 918 CO 0.75 0.22 0.00 -3.47 -0.60 0.00 0.00 178.31 175.20 3h44 n ASP 919 N -3.26 4.01 -0.25 2.17 4.64 -1.26 -4.74 116.55 117.86 3h44 n ASP 919 Ca 0.01 -2.44 -0.04 0.00 -1.38 0.00 0.00 54.79 50.95 3h44 n ASP 919 Cb 0.50 -0.54 0.02 0.00 -1.04 0.00 0.00 41.12 40.06 3h44 n ASP 919 CO 0.00 0.00 0.00 -0.09 -0.82 0.00 0.00 177.20 176.29 3h44 h ARG 920 N 3.15 -0.11 -0.53 -0.67 2.43 -1.92 -2.52 114.38 114.22 3h44 h ARG 920 Ca 0.00 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3h44 h ARG 920 Cb 1.29 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.82 3h44 h ARG 920 CO 0.23 -0.07 0.27 -0.44 -1.51 0.00 0.00 179.97 178.45 3h44 h ASP 921 N -0.11 0.40 -0.28 -3.80 3.32 -1.87 0.74 116.42 114.81 3h44 h ASP 921 Ca 0.27 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 3h44 h ASP 921 Cb 0.56 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3h44 h ASP 921 CO -0.76 0.27 0.15 0.78 -1.72 0.00 0.00 179.24 177.96 3h44 h ASN 922 N 0.53 0.36 -0.09 6.45 -0.26 -1.83 -0.12 115.58 120.61 3h44 h ASN 922 Ca 0.23 -0.10 -0.04 0.00 -0.56 0.00 0.00 56.30 55.84 3h44 h ASN 922 Cb 0.13 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.30 3h44 h ASN 922 CO -0.16 0.35 -0.09 0.71 -1.06 0.00 0.00 177.43 177.18 3h44 h THR 923 N 0.34 1.36 -0.53 2.81 1.35 -1.35 -1.59 112.91 115.29 3h44 h THR 923 Ca 0.10 -1.25 -0.04 0.00 -0.55 0.00 0.00 66.41 64.67 3h44 h THR 923 Cb 0.08 1.98 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 3h44 h THR 923 CO -0.02 0.35 0.15 -0.33 -0.25 0.00 0.00 175.52 175.42 3h44 h GLU 924 N -0.19 0.80 -0.16 4.72 5.08 -0.86 -0.04 114.58 123.93 3h44 h GLU 924 Ca 0.01 -0.15 -0.16 0.00 -1.00 0.00 0.00 59.36 58.06 3h44 h GLU 924 Cb 0.61 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3h44 h GLU 924 CO 0.02 0.71 -0.53 0.28 -1.00 0.00 0.00 179.01 178.50 3h44 h VAL 925 N 0.78 1.33 -0.84 3.13 2.07 -1.06 0.22 116.25 121.88 3h44 h VAL 925 Ca 0.18 -1.78 0.08 0.00 0.82 0.00 0.00 66.70 65.99 3h44 h VAL 925 Cb 0.26 1.98 -0.07 0.00 -1.52 0.00 0.00 31.29 31.94 3h44 h VAL 925 CO -0.01 0.55 0.50 0.00 0.02 0.00 0.00 177.57 178.64 3h44 h ALA 926 N 0.55 1.18 -0.05 1.67 0.00 -1.00 -2.34 119.26 119.27 3h44 h ALA 926 Ca -0.02 0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 3h44 h ALA 926 Cb 1.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3h44 h ALA 926 CO 0.11 0.19 -0.77 -0.92 0.00 0.00 0.00 179.25 177.87 3h44 h TYR 927 N 0.89 0.46 -0.95 0.00 3.20 -0.85 -3.02 116.97 116.70 3h44 h TYR 927 Ca 0.38 -0.22 0.19 0.00 3.14 0.00 0.00 58.73 62.23 3h44 h TYR 927 Cb 0.26 -0.07 -0.11 0.00 1.54 0.00 0.00 36.73 38.35 3h44 h TYR 927 CO -0.04 0.98 0.53 1.25 -1.64 0.00 0.00 178.16 179.24 3h44 h LEU 928 N 0.22 0.63 -1.16 2.82 6.46 -0.15 -2.94 115.31 121.19 3h44 h LEU 928 Ca -0.04 0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.76 3h44 h LEU 928 Cb 1.35 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.28 3h44 h LEU 928 CO 0.13 0.19 -0.23 0.11 -0.62 0.00 0.00 178.44 178.02 3h44 h LYS 929 N 0.64 0.30 0.00 1.25 1.57 -1.29 -2.61 116.57 116.43 3h44 h LYS 929 Ca 0.56 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 3h44 h LYS 929 Cb 0.91 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3h44 h LYS 929 CO -0.41 0.52 0.00 0.25 -0.57 0.00 0.00 179.45 179.24 3h44 n THR 930 N -4.17 0.16 -2.21 -0.16 -2.24 -1.11 -4.83 114.28 99.73 3h44 n THR 930 Ca -0.01 0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 3h44 n THR 930 Cb 0.36 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 67.95 3h44 n THR 930 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3h44 s LEU 931 N -2.57 4.37 0.23 3.22 2.96 -0.98 -5.04 118.68 120.87 3h44 s LEU 931 Ca 0.25 2.29 0.08 0.00 -0.22 0.00 0.00 54.13 56.53 3h44 s LEU 931 Cb 0.17 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.24 3h44 s LEU 931 CO 0.40 -0.62 0.02 0.42 -1.32 0.00 0.00 176.35 175.25 3h44 s THR 932 N 1.02 3.69 0.34 3.68 -4.23 -1.26 -5.01 115.64 113.87 3h44 s THR 932 Ca 0.63 -1.64 0.09 0.00 -1.18 0.00 0.00 61.69 59.59 3h44 s THR 932 Cb -0.36 -2.93 0.32 0.00 1.34 0.00 0.00 72.50 70.88 3h44 s THR 932 CO 0.31 -0.26 1.80 0.50 -0.54 0.00 0.00 174.62 176.43 3h44 h LYS 933 N 2.17 0.65 -0.97 3.99 3.64 -1.98 0.11 116.57 124.18 3h44 h LYS 933 Ca -0.46 -0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.00 3h44 h LYS 933 Cb 1.23 -0.15 -0.14 0.00 -0.41 0.00 0.00 32.23 32.76 3h44 h LYS 933 CO 0.59 0.43 -0.50 0.93 -2.27 0.00 0.00 179.45 178.64 3h44 h GLU 934 N 0.67 -0.01 0.43 1.90 4.39 -1.99 -2.09 114.58 117.88 3h44 h GLU 934 Ca 0.54 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.23 3h44 h GLU 934 Cb 0.96 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.62 3h44 h GLU 934 CO -0.31 -0.01 -0.24 -0.44 -1.16 0.00 0.00 179.01 176.85 3h44 h ASP 935 N -0.01 -0.60 -0.87 1.42 3.32 -1.18 -1.06 116.42 117.44 3h44 h ASP 935 Ca 0.24 0.03 0.18 0.00 0.02 0.00 0.00 57.03 57.50 3h44 h ASP 935 Cb 0.50 0.17 -0.11 0.00 0.22 0.00 0.00 39.33 40.11 3h44 h ASP 935 CO -0.95 -0.39 0.42 0.40 -1.72 0.00 0.00 179.24 176.99 3h44 h ILE 936 N -0.63 0.62 0.03 0.35 1.08 -1.29 0.35 117.51 118.02 3h44 h ILE 936 Ca -0.05 -0.18 -0.00 0.00 -0.39 0.00 0.00 64.86 64.24 3h44 h ILE 936 Cb 0.51 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 3h44 h ILE 936 CO 0.07 0.10 -0.02 0.40 -0.69 0.00 0.00 178.15 178.01 3h44 h ILE 937 N 0.52 1.16 -0.27 -0.67 1.08 -0.71 0.89 117.51 119.51 3h44 h ILE 937 Ca 0.50 -0.60 0.06 0.00 -0.39 0.00 0.00 64.86 64.43 3h44 h ILE 937 Cb 0.83 1.56 -0.06 0.00 -3.07 0.00 0.00 36.82 36.07 3h44 h ILE 937 CO -0.43 0.15 -0.12 0.50 -0.69 0.00 0.00 178.15 177.56 3h44 h LYS 938 N -0.31 -0.07 -0.48 2.37 3.64 -0.26 0.98 116.57 122.44 3h44 h LYS 938 Ca -0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3h44 h LYS 938 Cb 0.29 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.03 3h44 h LYS 938 CO 0.01 -0.05 -0.08 0.35 -2.27 0.00 0.00 179.45 177.41 3h44 h PHE 939 N -0.07 -0.19 -0.72 1.91 3.57 -0.89 0.50 116.94 121.05 3h44 h PHE 939 Ca 0.14 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3h44 h PHE 939 Cb 0.29 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 3h44 h PHE 939 CO -0.31 -0.18 0.46 -0.92 -2.23 0.00 0.00 178.31 175.13 3h44 h TYR 940 N 0.03 0.92 -0.29 0.41 5.03 -0.04 -0.70 116.97 122.33 3h44 h TYR 940 Ca 0.24 0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.44 3h44 h TYR 940 Cb 0.36 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.33 3h44 h TYR 940 CO -0.38 0.60 -0.26 0.87 -1.32 0.00 0.00 178.16 177.67 3h44 h LYS 941 N 0.98 0.69 -0.55 1.82 1.79 0.21 0.11 116.57 121.62 3h44 h LYS 941 Ca 0.26 -0.35 -0.07 0.00 -2.18 0.00 0.00 60.65 58.31 3h44 h LYS 941 Cb -0.08 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.56 3h44 h LYS 941 CO -0.05 0.96 0.07 0.93 -1.08 0.00 0.00 179.45 180.27 3h44 h GLU 942 N 0.43 0.93 0.00 3.15 4.39 -0.03 -3.36 114.58 120.09 3h44 h GLU 942 Ca 0.05 -0.26 -0.26 0.00 0.34 0.00 0.00 59.36 59.23 3h44 h GLU 942 Cb 0.82 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.33 3h44 h GLU 942 CO 0.07 0.91 -1.91 -1.33 -1.16 0.00 0.00 179.01 175.59 3h44 n MET 943 N -4.33 0.36 -0.06 2.33 2.81 -0.27 -2.24 117.12 115.73 3h44 n MET 943 Ca 0.02 0.13 -0.06 0.00 -1.81 0.00 0.00 57.70 55.97 3h44 n MET 943 Cb 0.28 -1.18 -0.08 0.00 -0.71 0.00 0.00 33.22 31.54 3h44 n MET 943 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3h44 n LEU 944 N -3.42 0.84 -4.53 4.03 4.77 -0.47 -3.56 117.00 114.65 3h44 n LEU 944 Ca -0.30 -0.02 -0.44 0.00 -0.03 0.00 0.00 56.01 55.22 3h44 n LEU 944 Cb 0.76 0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.89 3h44 n LEU 944 CO 0.07 0.39 0.37 0.00 -1.33 0.00 0.00 177.39 176.90 3h44 n ALA 945 N -2.53 -0.84 -0.25 -1.18 0.00 0.26 -4.81 120.51 111.16 3h44 n ALA 945 Ca -0.19 0.32 0.32 0.00 0.00 0.00 0.00 53.44 53.90 3h44 n ALA 945 Cb 0.82 -1.91 0.73 0.00 0.00 0.00 0.00 19.45 19.09 3h44 n ALA 945 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 3h44 h VAL 946 N 1.51 0.42 -0.67 0.00 3.04 -1.94 0.54 116.25 119.16 3h44 h VAL 946 Ca -0.39 0.00 -0.49 0.00 -1.01 0.00 0.00 66.70 64.81 3h44 h VAL 946 Cb 1.37 0.45 -0.40 0.00 -2.01 0.00 0.00 31.29 30.70 3h44 h VAL 946 CO 0.57 0.00 -0.81 -0.90 -1.01 0.00 0.00 177.57 175.42 3h44 n ASP 947 N -4.13 4.47 -4.74 3.17 3.85 -1.26 -5.00 116.55 112.91 3h44 n ASP 947 Ca 0.22 -3.65 -0.41 0.00 -0.71 0.00 0.00 54.79 50.24 3h44 n ASP 947 Cb 1.14 -0.36 -0.04 0.00 -1.35 0.00 0.00 41.12 40.51 3h44 n ASP 947 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3h44 s ALA 948 N -3.57 3.41 0.50 2.12 0.00 0.18 -4.92 121.76 119.49 3h44 s ALA 948 Ca 0.49 0.90 0.26 0.00 0.00 0.00 0.00 51.96 53.61 3h44 s ALA 948 Cb 0.40 -3.37 1.35 0.00 0.00 0.00 0.00 23.12 21.49 3h44 s ALA 948 CO 0.03 -0.28 1.92 -1.00 0.00 0.00 0.00 175.76 176.43 3h44 h PRO 949 N 4.78 0.11 -0.32 0.00 0.13 -1.77 -2.97 132.00 131.96 3h44 h PRO 949 Ca -0.45 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.54 3h44 h PRO 949 Cb 1.21 -0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 3h44 h PRO 949 CO 0.72 0.07 -0.05 0.54 -0.23 0.00 0.00 178.00 179.05 3h44 n ARG 950 N -4.37 2.08 -2.39 0.86 1.74 -0.95 -3.86 116.66 109.78 3h44 n ARG 950 Ca 0.15 -3.08 -0.43 0.00 -0.77 0.00 0.00 57.85 53.73 3h44 n ARG 950 Cb 0.76 -1.81 -0.02 0.00 -1.02 0.00 0.00 32.46 30.37 3h44 n ARG 950 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3h44 s ARG 951 N -3.13 4.26 -0.22 5.56 3.52 -1.12 -4.67 118.95 123.14 3h44 s ARG 951 Ca 0.44 1.72 0.02 0.00 -0.13 0.00 0.00 55.73 57.77 3h44 s ARG 951 Cb 0.39 -3.72 0.04 0.00 -1.56 0.00 0.00 34.95 30.09 3h44 s ARG 951 CO 0.02 -0.65 -0.15 -1.01 -0.81 0.00 0.00 175.30 172.70 3h44 s HIS 952 N 3.18 3.02 -0.04 5.12 3.76 -1.26 -0.67 115.29 128.39 3h44 s HIS 952 Ca 0.57 -1.94 0.01 0.00 -0.15 0.00 0.00 55.06 53.55 3h44 s HIS 952 Cb -0.24 -1.94 0.02 0.00 1.11 0.00 0.00 32.58 31.54 3h44 s HIS 952 CO 0.18 -0.83 -0.04 0.21 -0.85 0.00 0.00 174.74 173.40 3h44 s LYS 953 N 1.21 0.80 0.11 1.40 2.20 -0.93 -0.80 119.74 123.73 3h44 s LYS 953 Ca -0.02 -0.10 0.06 0.00 -0.36 0.00 0.00 55.97 55.55 3h44 s LYS 953 Cb -0.16 -0.81 -0.04 0.00 -1.51 0.00 0.00 37.83 35.31 3h44 s LYS 953 CO -0.09 -0.07 -0.16 0.08 -0.36 0.00 0.00 175.35 174.75 3h44 s VAL 954 N 0.87 1.38 -0.02 4.02 1.01 0.37 -1.65 120.40 126.38 3h44 s VAL 954 Ca -0.12 -1.59 -0.01 0.00 0.00 0.00 0.00 61.98 60.26 3h44 s VAL 954 Cb -0.14 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.82 3h44 s VAL 954 CO 0.00 -0.30 0.04 -0.44 0.00 0.00 0.00 175.10 174.41 3h44 s SER 955 N -2.19 -0.01 -0.23 3.32 0.01 -0.01 0.17 113.70 114.77 3h44 s SER 955 Ca 0.06 0.07 -0.03 0.00 1.31 0.00 0.00 55.95 57.36 3h44 s SER 955 Cb -0.07 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.19 3h44 s SER 955 CO 0.03 -0.06 -0.05 -0.69 0.41 0.00 0.00 173.24 172.88 3h44 s VAL 956 N 0.46 3.22 -0.34 3.43 1.01 -0.34 -1.55 120.40 126.29 3h44 s VAL 956 Ca -0.04 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 3h44 s VAL 956 Cb -0.05 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.84 3h44 s VAL 956 CO -0.01 0.36 0.15 -1.00 0.00 0.00 0.00 175.10 174.60 3h44 s HIS 957 N 1.44 3.22 -0.32 5.22 3.76 -0.70 -2.15 115.29 125.75 3h44 s HIS 957 Ca 0.04 -1.02 -0.12 0.00 -0.15 0.00 0.00 55.06 53.82 3h44 s HIS 957 Cb -0.15 -2.35 -0.02 0.00 1.11 0.00 0.00 32.58 31.17 3h44 s HIS 957 CO -0.04 -0.63 0.21 0.08 -0.85 0.00 0.00 174.74 173.51 3h44 s VAL 958 N 1.52 5.12 0.12 -0.90 1.01 0.13 -1.34 120.40 126.05 3h44 s VAL 958 Ca 0.02 -0.19 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 3h44 s VAL 958 Cb -0.19 -3.58 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 3h44 s VAL 958 CO 0.05 0.06 0.80 -0.76 0.00 0.00 0.00 175.10 175.25 3h44 s LEU 959 N 1.70 4.54 0.73 3.92 1.43 0.18 0.07 118.68 131.25 3h44 s LEU 959 Ca 0.06 1.61 -0.16 0.00 -1.03 0.00 0.00 54.13 54.61 3h44 s LEU 959 Cb -0.17 -3.32 -0.05 0.00 0.03 0.00 0.00 46.19 42.67 3h44 s LEU 959 CO 0.09 0.11 0.36 0.00 0.23 0.00 0.00 176.35 177.15 3h44 n ALA 960 N 2.14 -2.00 -0.13 4.21 0.00 -1.23 -0.97 120.51 122.52 3h44 n ALA 960 Ca -0.03 -0.27 0.24 0.00 0.00 0.00 0.00 53.44 53.38 3h44 n ALA 960 Cb 0.49 -1.76 0.39 0.00 0.00 0.00 0.00 19.45 18.58 3h44 n ALA 960 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3h44 h ARG 961 N -0.43 0.00 0.00 0.00 2.43 -1.35 -2.96 114.38 112.07 3h44 h ARG 961 Ca -0.45 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.54 3h44 h ARG 961 Cb 1.35 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.87 3h44 h ARG 961 CO 0.41 0.00 -2.05 0.39 -1.51 0.00 0.00 179.97 177.20 3h44 n GLU 962 N -3.17 0.92 -0.09 0.20 -0.58 -1.26 -5.00 120.64 111.67 3h44 n GLU 962 Ca 0.20 -0.07 0.00 0.00 -0.42 0.00 0.00 57.16 56.86 3h44 n GLU 962 Cb 1.43 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 30.86 3h44 n GLU 962 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3h44 n MET 963 N -2.44 0.60 0.36 3.49 2.81 -1.12 -5.24 117.12 115.58 3h44 n MET 963 Ca -0.18 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.56 3h44 n MET 963 Cb 0.83 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 33.27 3h44 n MET 963 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3h44 h ASP 964 N 0.00 -0.81 0.00 7.83 5.19 -1.97 -3.50 116.42 123.16 3h44 h ASP 964 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 3h44 h ASP 964 Cb 0.00 0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.72 3h44 h ASP 964 CO 0.00 -0.43 0.00 -0.46 -3.12 0.00 0.00 179.24 175.23 3h44 n ASN 979 N -5.41 0.00 -4.68 6.45 0.23 -1.26 -5.15 115.26 105.44 3h44 n ASN 979 Ca -0.12 0.00 -0.26 0.00 -0.53 0.00 0.00 54.58 53.67 3h44 n ASN 979 Cb 0.38 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.99 3h44 n ASN 979 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3h44 s LEU 980 N 0.00 3.01 0.84 -4.53 1.43 -1.26 -5.14 118.68 113.04 3h44 s LEU 980 Ca 0.00 -1.16 -0.11 0.00 -1.03 0.00 0.00 54.13 51.83 3h44 s LEU 980 Cb 0.00 -1.24 0.10 0.00 0.03 0.00 0.00 46.19 45.08 3h44 s LEU 980 CO 0.00 -0.45 1.09 -0.94 0.23 0.00 0.00 176.35 176.28 3h44 s SER 981 N -3.80 3.88 -0.34 2.29 1.04 -1.26 -4.97 113.70 110.54 3h44 s SER 981 Ca 0.38 1.67 -0.29 0.00 0.48 0.00 0.00 55.95 58.19 3h44 s SER 981 Cb 0.05 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.82 3h44 s SER 981 CO 0.20 -2.41 1.40 -1.10 0.98 0.00 0.00 173.24 172.32 3h44 s GLN 982 N -4.90 3.73 0.22 4.02 -1.52 -1.26 -5.02 119.66 114.93 3h44 s GLN 982 Ca 0.63 1.16 -0.30 0.00 -1.95 0.00 0.00 55.36 54.89 3h44 s GLN 982 Cb -0.18 -3.97 -0.08 0.00 -0.22 0.00 0.00 33.01 28.56 3h44 s GLN 982 CO 0.57 -1.36 1.04 0.00 -0.25 0.00 0.00 175.29 175.28 3h44 s ALA 983 N 5.02 3.36 1.12 6.09 0.00 -1.26 -4.65 121.76 131.44 3h44 s ALA 983 Ca 0.61 0.76 -0.18 0.00 0.00 0.00 0.00 51.96 53.15 3h44 s ALA 983 Cb -0.16 -3.30 0.25 0.00 0.00 0.00 0.00 23.12 19.91 3h44 s ALA 983 CO 0.28 -0.06 1.16 -1.25 0.00 0.00 0.00 175.76 175.90 3h44 s PRO 984 N -0.87 -0.58 -0.12 0.00 0.04 -1.26 -4.98 135.00 127.24 3h44 s PRO 984 Ca 0.45 -0.10 -0.12 0.00 0.04 0.00 0.00 61.00 61.27 3h44 s PRO 984 Cb -0.29 -1.67 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 3h44 s PRO 984 CO 0.35 -3.28 0.27 0.00 0.04 0.00 0.00 177.00 174.38 3h44 s ALA 985 N -3.22 3.70 -0.07 8.56 0.00 -1.26 -5.01 121.76 124.45 3h44 s ALA 985 Ca 0.71 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.23 3h44 s ALA 985 Cb -0.09 -2.27 -0.02 0.00 0.00 0.00 0.00 23.12 20.74 3h44 s ALA 985 CO 0.55 0.32 -0.15 -0.51 0.00 0.00 0.00 175.76 175.97 3h44 s LEU 986 N -0.27 2.67 0.84 0.00 1.43 -1.26 -5.10 118.68 116.99 3h44 s LEU 986 Ca 0.17 -0.26 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 3h44 s LEU 986 Cb -0.13 -1.55 0.05 0.00 0.03 0.00 0.00 46.19 44.59 3h44 s LEU 986 CO 0.06 0.28 0.86 -0.81 0.23 0.00 0.00 176.35 176.97 3h44 n PRO 987 N 2.73 0.02 -1.68 1.29 -0.04 -1.26 -4.94 135.00 131.12 3h44 n PRO 987 Ca -0.17 0.07 -0.46 0.00 -0.04 0.00 0.00 63.50 62.90 3h44 n PRO 987 Cb 0.52 -2.16 -0.04 0.00 -0.04 0.00 0.00 33.50 31.78 3h44 n PRO 987 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3h44 n GLN 988 N -2.47 2.31 -3.41 0.54 -0.06 -1.26 -4.99 117.38 108.04 3h44 n GLN 988 Ca 0.11 0.84 -0.29 0.00 -2.00 0.00 0.00 57.00 55.65 3h44 n GLN 988 Cb 0.51 -2.66 -0.04 0.00 -4.06 0.00 0.00 30.24 24.00 3h44 n GLN 988 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3h44 s PRO 989 N 2.12 3.65 -0.03 3.69 0.04 -1.26 -4.91 135.00 138.30 3h44 s PRO 989 Ca 0.83 0.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.59 3h44 s PRO 989 Cb -0.64 -2.68 -0.03 0.00 0.04 0.00 0.00 34.50 31.19 3h44 s PRO 989 CO 0.41 0.27 1.08 -2.00 0.04 0.00 0.00 177.00 176.81 3h44 s GLU 990 N -3.31 4.44 -0.81 4.56 2.12 -0.21 -4.91 118.70 120.59 3h44 s GLU 990 Ca 0.44 1.54 -0.15 0.00 0.36 0.00 0.00 54.97 57.16 3h44 s GLU 990 Cb -0.11 -3.49 0.19 0.00 0.26 0.00 0.00 34.13 30.99 3h44 s GLU 990 CO 0.28 -0.26 0.79 0.08 -0.54 0.00 0.00 175.26 175.60 3h44 s VAL 991 N 1.61 5.43 -0.22 3.70 1.01 -1.26 -1.58 120.40 129.09 3h44 s VAL 991 Ca 0.53 -2.20 -0.42 0.00 0.00 0.00 0.00 61.98 59.89 3h44 s VAL 991 Cb -0.23 -4.50 -0.19 0.00 0.00 0.00 0.00 36.38 31.47 3h44 s VAL 991 CO 0.24 -1.08 1.43 -0.38 0.00 0.00 0.00 175.10 175.31 3h44 n ILE 992 N 4.36 0.06 0.10 2.22 5.41 -0.69 -4.85 119.36 125.97 3h44 n ILE 992 Ca 0.12 -0.01 0.04 0.00 1.00 0.00 0.00 62.75 63.90 3h44 n ILE 992 Cb 0.46 -0.54 -0.06 0.00 -0.71 0.00 0.00 39.64 38.79 3h44 n ILE 992 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 3h44 n GLN 993 N 3.30 1.36 -3.39 0.38 -0.06 -1.26 -4.63 117.38 113.08 3h44 n GLN 993 Ca 0.25 -0.06 0.02 0.00 -2.00 0.00 0.00 57.00 55.21 3h44 n GLN 993 Cb 0.06 -1.12 -0.03 0.00 -4.06 0.00 0.00 30.24 25.09 3h44 n GLN 993 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 3h44 s ASN 994 N -2.65 -0.90 0.42 1.69 3.84 -1.26 -5.05 114.94 111.04 3h44 s ASN 994 Ca -0.01 0.97 0.30 0.00 0.21 0.00 0.00 52.86 54.32 3h44 s ASN 994 Cb 0.06 1.92 1.31 0.00 -0.55 0.00 0.00 41.25 43.99 3h44 s ASN 994 CO 0.35 -0.17 1.88 0.00 -2.79 0.00 0.00 177.10 176.37 3h44 h MET 995 N 7.82 0.00 0.01 0.43 -0.00 -1.98 0.10 114.93 121.31 3h44 h MET 995 Ca -0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.52 3h44 h MET 995 Cb 1.13 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.73 3h44 h MET 995 CO 0.10 0.00 -0.00 1.15 -0.00 0.00 0.00 176.91 178.15 3h44 h THR 996 N 0.00 1.54 -0.37 -0.10 2.02 -1.97 -2.36 112.91 111.68 3h44 h THR 996 Ca 0.00 -2.02 0.08 0.00 0.77 0.00 0.00 66.41 65.23 3h44 h THR 996 Cb 0.34 2.85 -0.08 0.00 -1.74 0.00 0.00 68.15 69.52 3h44 h THR 996 CO 0.00 0.50 -0.16 -0.33 0.37 0.00 0.00 175.52 175.90 3h44 h GLU 997 N -0.93 -0.09 -0.36 6.66 5.08 -1.89 0.57 114.58 123.61 3h44 h GLU 997 Ca -0.00 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3h44 h GLU 997 Cb 0.83 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.04 3h44 h GLU 997 CO 0.00 -0.06 -0.39 0.35 -1.00 0.00 0.00 179.01 177.91 3h44 h PHE 998 N -0.09 -1.21 -0.07 4.33 3.57 -0.87 0.75 116.94 123.35 3h44 h PHE 998 Ca 0.18 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 3h44 h PHE 998 Cb 0.37 0.57 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 3h44 h PHE 998 CO -0.39 -0.32 0.04 0.87 -2.23 0.00 0.00 178.31 176.28 3h44 h LYS 999 N -0.22 0.10 -0.83 1.11 1.57 -0.99 -2.17 116.57 115.14 3h44 h LYS 999 Ca 0.06 -0.01 0.15 0.00 -1.87 0.00 0.00 60.65 58.98 3h44 h LYS 999 Cb 0.39 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.58 3h44 h LYS 999 CO -0.46 0.11 0.41 0.00 -0.57 0.00 0.00 179.45 178.94 3h44 h ARG 1000N 0.06 0.55 0.00 3.15 3.08 -0.81 -2.73 114.38 117.68 3h44 h ARG 1000Ca 0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3h44 h ARG 1000Cb 0.04 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.97 3h44 h ARG 1000CO -0.00 0.37 0.00 0.41 -1.07 0.00 0.00 179.97 179.67 3h44 n GLY 1001N -1.33 -0.73 3.25 0.04 0.00 0.25 -4.85 105.19 101.83 3h44 n GLY 1001Ca 0.17 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 3h44 n GLY 1001CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3h44 s LEU 1002N -3.82 1.29 1.05 0.99 2.34 -1.03 -5.08 118.68 114.43 3h44 s LEU 1002Ca -0.01 -1.09 -0.13 0.00 0.06 0.00 0.00 54.13 52.97 3h44 s LEU 1002Cb 0.04 0.74 0.22 0.00 -0.56 0.00 0.00 46.19 46.63 3h44 s LEU 1002CO 0.12 -0.83 1.08 -2.16 -1.06 0.00 0.00 176.35 173.50 3h44 s PRO 1003N -4.03 -0.03 0.04 1.48 0.04 -1.26 -4.78 135.00 126.47 3h44 s PRO 1003Ca 0.23 0.53 0.09 0.00 0.04 0.00 0.00 61.00 61.89 3h44 s PRO 1003Cb 0.05 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.88 3h44 s PRO 1003CO 0.03 -3.04 -0.24 -0.51 0.04 0.00 0.00 177.00 173.27 3h44 s LEU 1004N -6.67 2.27 0.84 -3.56 1.43 -1.26 -0.23 118.68 111.50 3h44 s LEU 1004Ca 0.66 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 3h44 s LEU 1004Cb -0.20 -1.34 0.09 0.00 0.03 0.00 0.00 46.19 44.78 3h44 s LEU 1004CO 0.59 0.26 1.09 -0.36 0.23 0.00 0.00 176.35 178.16 3h44 s PHE 1005N -0.83 2.43 1.00 0.29 0.40 0.63 -4.82 117.98 117.08 3h44 s PHE 1005Ca 0.12 1.41 -0.11 0.00 -0.60 0.00 0.00 56.93 57.75 3h44 s PHE 1005Cb -0.10 -3.11 0.19 0.00 0.51 0.00 0.00 43.02 40.51 3h44 s PHE 1005CO 0.03 -2.12 1.09 -2.14 0.70 0.00 0.00 175.22 172.78 3h44 s PRO 1006N -4.91 0.38 0.34 0.24 0.02 -1.26 -4.70 135.00 125.11 3h44 s PRO 1006Ca 0.62 1.10 -0.15 0.00 0.02 0.00 0.00 61.00 62.60 3h44 s PRO 1006Cb -0.18 -1.69 -0.09 0.00 0.02 0.00 0.00 34.50 32.57 3h44 s PRO 1006CO 0.57 -2.92 0.76 -0.51 -0.33 0.00 0.00 177.00 174.56 3h44 s LEU 1007N -6.72 4.02 0.49 -5.54 1.02 -1.26 -4.83 118.68 105.85 3h44 s LEU 1007Ca 0.66 1.29 -0.22 0.00 0.02 0.00 0.00 54.13 55.88 3h44 s LEU 1007Cb -0.22 -4.10 -0.07 0.00 0.02 0.00 0.00 46.19 41.81 3h44 s LEU 1007CO 0.60 -0.24 1.15 -0.69 0.02 0.00 0.00 176.35 177.18 3h44 s VAL 1008N -2.05 3.16 0.34 -1.59 1.01 -1.26 -5.02 120.40 114.98 3h44 s VAL 1008Ca 0.54 0.81 -0.27 0.00 0.00 0.00 0.00 61.98 63.06 3h44 s VAL 1008Cb -0.10 -3.38 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 3h44 s VAL 1008CO 0.19 -0.07 1.16 -0.54 0.00 0.00 0.00 175.10 175.84 3h44 s LYS 1009N -2.91 4.36 0.95 2.72 1.02 -1.26 -4.98 119.74 119.63 3h44 s LYS 1009Ca 0.67 1.87 -0.12 0.00 0.02 0.00 0.00 55.97 58.40 3h44 s LYS 1009Cb -0.26 -2.95 0.16 0.00 -0.52 0.00 0.00 37.83 34.26 3h44 s LYS 1009CO 0.31 -0.06 1.09 -2.14 -0.92 0.00 0.00 175.35 173.64 3h44 s PRO 1010N -1.87 0.86 0.00 -1.68 0.02 -1.25 -4.74 135.00 126.33 3h44 s PRO 1010Ca 0.50 0.65 0.31 0.00 0.02 0.00 0.00 61.00 62.48 3h44 s PRO 1010Cb -0.32 -1.78 1.60 0.00 0.02 0.00 0.00 34.50 34.02 3h44 s PRO 1010CO 0.41 -2.47 2.05 1.58 -0.33 0.00 0.00 177.00 178.24