#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h72 s LYS 6 N 0.00 0.60 -0.01 2.12 1.02 -1.26 -0.39 119.74 121.81 1h72 s LYS 6 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.44 1h72 s LYS 6 Cb 0.00 0.25 0.02 0.00 -0.52 0.00 0.00 37.83 37.58 1h72 s LYS 6 CO 0.00 -0.16 0.02 0.08 -0.92 0.00 0.00 175.35 174.37 1h72 s VAL 7 N -2.10 -0.01 -0.04 3.17 1.01 -0.04 -4.98 120.40 117.41 1h72 s VAL 7 Ca -0.09 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.09 1h72 s VAL 7 Cb -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 36.25 1h72 s VAL 7 CO -0.02 0.07 -0.22 -0.60 0.00 0.00 0.00 175.10 174.33 1h72 s ARG 8 N 0.75 2.12 0.11 2.72 3.52 -1.26 -0.05 118.95 126.86 1h72 s ARG 8 Ca -0.06 -0.79 0.01 0.00 -0.13 0.00 0.00 55.73 54.76 1h72 s ARG 8 Cb -0.09 -1.87 -0.04 0.00 -1.56 0.00 0.00 34.95 31.39 1h72 s ARG 8 CO -0.02 0.37 -0.03 0.14 -0.81 0.00 0.00 175.30 174.95 1h72 s VAL 9 N -0.21 0.54 -0.18 7.11 -7.23 0.91 -1.50 120.40 119.84 1h72 s VAL 9 Ca -0.00 -1.92 -0.06 0.00 -1.81 0.00 0.00 61.98 58.19 1h72 s VAL 9 Cb -0.12 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 1h72 s VAL 9 CO 0.02 -0.74 0.01 -1.59 -0.31 0.00 0.00 175.10 172.50 1h72 s LYS 10 N -3.90 3.77 -0.21 4.82 -2.85 -0.21 -0.67 119.74 120.50 1h72 s LYS 10 Ca 0.16 -0.45 0.02 0.00 -1.00 0.00 0.00 55.97 54.69 1h72 s LYS 10 Cb 0.06 -3.08 0.04 0.00 -2.06 0.00 0.00 37.83 32.79 1h72 s LYS 10 CO -0.02 0.18 -0.15 0.00 0.10 0.00 0.00 175.35 175.46 1h72 s ALA 11 N 0.57 2.29 0.47 0.59 0.00 0.13 -2.27 121.76 123.53 1h72 s ALA 11 Ca 0.00 -1.36 -0.20 0.00 0.00 0.00 0.00 51.96 50.40 1h72 s ALA 11 Cb -0.14 -1.32 -0.09 0.00 0.00 0.00 0.00 23.12 21.57 1h72 s ALA 11 CO 0.02 -0.72 1.00 -1.25 0.00 0.00 0.00 175.76 174.81 1h72 s PRO 12 N 1.27 3.95 0.83 0.00 0.04 -1.26 -0.30 135.00 139.54 1h72 s PRO 12 Ca -0.01 1.22 -0.10 0.00 0.04 0.00 0.00 61.00 62.15 1h72 s PRO 12 Cb -0.16 -2.13 0.10 0.00 0.04 0.00 0.00 34.50 32.35 1h72 s PRO 12 CO -0.09 -0.28 1.11 0.00 0.04 0.00 0.00 177.00 177.77 1h72 s THR 14 N -2.80 0.12 -0.26 0.00 -4.23 -0.50 -1.92 115.64 106.04 1h72 s THR 14 Ca 0.63 -1.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.14 1h72 s THR 14 Cb -0.19 -1.08 0.04 0.00 1.34 0.00 0.00 72.50 72.61 1h72 s THR 14 CO 0.57 -0.55 -0.06 -0.55 -0.54 0.00 0.00 174.62 173.49 1h72 s SER 15 N -2.38 4.48 0.48 3.99 0.15 0.05 -3.40 113.70 117.06 1h72 s SER 15 Ca -0.01 -1.09 0.01 0.00 0.70 0.00 0.00 55.95 55.56 1h72 s SER 15 Cb 0.01 -1.65 0.01 0.00 -1.71 0.00 0.00 66.02 62.68 1h72 s SER 15 CO -0.07 -0.18 0.69 0.00 1.20 0.00 0.00 173.24 174.89 1h72 s ALA 16 N 1.26 3.84 0.00 5.45 0.00 -1.26 -0.91 121.76 130.14 1h72 s ALA 16 Ca -0.03 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.75 1h72 s ALA 16 Cb -0.18 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.85 1h72 s ALA 16 CO -0.04 -0.48 0.00 0.09 0.00 0.00 0.00 175.76 175.33 1h72 n ASN 17 N -2.14 0.00 -3.85 0.00 3.02 -0.74 -1.23 115.26 110.31 1h72 n ASN 17 Ca 0.04 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.32 1h72 n ASN 17 Cb 0.58 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 1h72 n ASN 17 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1h72 n LEU 18 N 0.00 -2.49 0.00 3.41 4.77 -1.26 -1.40 117.00 120.03 1h72 n LEU 18 Ca 0.00 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 1h72 n LEU 18 Cb 0.00 -2.33 0.00 0.00 -2.33 0.00 0.00 43.42 38.76 1h72 n LEU 18 CO 0.00 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1h72 n GLY 19 N -1.85 1.58 0.00 -0.72 0.00 -1.26 -3.50 105.19 99.44 1h72 n GLY 19 Ca -0.26 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 45.77 1h72 n GLY 19 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1h72 n VAL 20 N 0.00 0.43 -0.36 1.61 0.24 -1.25 -2.83 118.33 116.18 1h72 n VAL 20 Ca 0.00 0.11 -0.01 0.00 -2.04 0.00 0.00 64.34 62.40 1h72 n VAL 20 Cb 0.00 -0.80 0.24 0.00 -1.47 0.00 0.00 33.84 31.80 1h72 n VAL 20 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h72 n GLY 21 N 0.27 2.83 3.67 7.63 0.00 -0.49 -4.71 105.19 114.39 1h72 n GLY 21 Ca 0.09 -0.66 -0.61 0.00 0.00 0.00 0.00 46.02 44.84 1h72 n GLY 21 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1h72 n PHE 22 N 0.16 1.62 -0.96 1.61 7.35 -1.12 -0.11 117.46 126.01 1h72 n PHE 22 Ca 0.25 0.86 0.00 0.00 -0.76 0.00 0.00 57.45 57.80 1h72 n PHE 22 Cb 1.01 -2.29 0.00 0.00 0.35 0.00 0.00 39.48 38.54 1h72 n PHE 22 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1h72 n ASP 23 N 3.78 -3.77 0.05 -2.13 9.92 -1.26 -4.74 116.55 118.41 1h72 n ASP 23 Ca 0.26 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1h72 n ASP 23 Cb 0.06 -1.88 0.00 0.00 -0.64 0.00 0.00 41.12 38.66 1h72 n ASP 23 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1h72 n VAL 24 N -2.42 0.57 -2.67 2.53 0.31 0.84 -4.74 118.33 112.76 1h72 n VAL 24 Ca 0.00 0.19 -0.34 0.00 -0.01 0.00 0.00 64.34 64.18 1h72 n VAL 24 Cb 0.21 -1.27 -0.05 0.00 -0.91 0.00 0.00 33.84 31.82 1h72 n VAL 24 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1h72 s PHE 25 N -2.00 3.15 -0.10 3.52 2.99 0.26 -1.04 117.98 124.75 1h72 s PHE 25 Ca 0.00 1.59 -0.15 0.00 0.00 0.00 0.00 56.93 58.37 1h72 s PHE 25 Cb 0.00 -2.97 0.04 0.00 0.00 0.00 0.00 43.02 40.09 1h72 s PHE 25 CO 0.00 -0.50 0.39 0.20 -0.00 0.00 0.00 175.22 175.31 1h72 s GLY 26 N -2.06 -0.27 -0.10 4.36 0.00 -0.46 -1.78 107.32 107.01 1h72 s GLY 26 Ca 0.65 0.89 0.01 0.00 0.00 0.00 0.00 44.72 46.27 1h72 s GLY 26 CO 0.17 0.71 -0.12 -2.27 0.00 0.00 0.00 173.10 171.59 1h72 s LEU 27 N -0.33 1.51 0.12 0.66 2.96 -0.09 -1.02 118.68 122.49 1h72 s LEU 27 Ca -0.05 -0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.21 1h72 s LEU 27 Cb -0.03 -0.93 -0.06 0.00 0.50 0.00 0.00 46.19 45.66 1h72 s LEU 27 CO 0.02 -0.03 1.03 0.00 -1.32 0.00 0.00 176.35 176.05 1h72 s LEU 29 N 0.04 4.19 0.03 0.00 1.43 -0.81 -0.14 118.68 123.41 1h72 s LEU 29 Ca 0.49 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 1h72 s LEU 29 Cb -0.26 -2.72 -0.24 0.00 0.03 0.00 0.00 46.19 43.00 1h72 s LEU 29 CO 0.31 -0.06 0.93 0.50 0.23 0.00 0.00 176.35 178.26 1h72 h LYS 30 N 1.26 0.09 -3.53 1.70 3.64 -1.47 -3.32 116.57 114.95 1h72 h LYS 30 Ca -0.51 -0.16 -0.13 0.00 -1.27 0.00 0.00 60.65 58.58 1h72 h LYS 30 Cb 1.23 0.06 -0.19 0.00 -0.41 0.00 0.00 32.23 32.92 1h72 h LYS 30 CO 0.61 0.89 -0.45 -1.21 -2.27 0.00 0.00 179.45 177.03 1h72 s GLU 31 N -2.64 0.58 1.06 1.90 8.01 -1.26 -4.70 118.70 121.65 1h72 s GLU 31 Ca -0.05 -0.51 -0.18 0.00 0.01 0.00 0.00 54.97 54.25 1h72 s GLU 31 Cb 0.08 0.24 0.24 0.00 -4.31 0.00 0.00 34.13 30.39 1h72 s GLU 31 CO 0.83 -0.15 1.28 -2.14 0.01 0.00 0.00 175.26 175.09 1h72 s PRO 32 N -1.93 -0.16 0.15 0.39 0.02 -1.26 -4.83 135.00 127.37 1h72 s PRO 32 Ca -0.10 -0.40 -0.20 0.00 0.02 0.00 0.00 61.00 60.33 1h72 s PRO 32 Cb -0.04 -1.75 0.05 0.00 0.02 0.00 0.00 34.50 32.78 1h72 s PRO 32 CO -0.01 -2.95 0.51 1.52 -0.33 0.00 0.00 177.00 175.74 1h72 s TYR 33 N -3.66 -0.37 0.21 6.54 -0.85 -1.26 -1.41 117.35 116.55 1h72 s TYR 33 Ca 0.75 0.10 -0.11 0.00 -0.52 0.00 0.00 57.07 57.29 1h72 s TYR 33 Cb -0.04 0.42 -0.07 0.00 0.38 0.00 0.00 41.96 42.65 1h72 s TYR 33 CO 0.54 -0.79 0.55 -0.51 -1.52 0.00 0.00 175.55 173.82 1h72 s ASP 34 N -2.78 6.68 -0.23 -0.18 1.11 0.59 -2.49 116.67 119.37 1h72 s ASP 34 Ca 0.02 0.97 -0.05 0.00 0.18 0.00 0.00 52.55 53.67 1h72 s ASP 34 Cb 0.00 -2.24 -0.02 0.00 1.07 0.00 0.00 42.92 41.73 1h72 s ASP 34 CO -0.12 -0.03 0.00 -0.69 1.18 0.00 0.00 175.17 175.52 1h72 s VAL 35 N -1.73 3.76 -0.06 -1.27 1.01 -0.23 -0.70 120.40 121.18 1h72 s VAL 35 Ca 0.45 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.10 1h72 s VAL 35 Cb -0.12 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1h72 s VAL 35 CO 0.20 0.39 -0.15 -0.63 0.00 0.00 0.00 175.10 174.92 1h72 s ILE 36 N 1.53 1.31 -0.05 2.22 1.01 0.16 -1.07 121.20 126.32 1h72 s ILE 36 Ca 0.06 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.18 1h72 s ILE 36 Cb -0.15 -1.17 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 1h72 s ILE 36 CO -0.00 0.39 -0.25 -0.70 0.00 0.00 0.00 174.94 174.37 1h72 s GLU 37 N 0.46 2.42 -0.09 2.79 2.12 -0.47 -0.06 118.70 125.87 1h72 s GLU 37 Ca -0.12 -0.91 0.03 0.00 0.36 0.00 0.00 54.97 54.32 1h72 s GLU 37 Cb -0.15 -2.12 0.01 0.00 0.26 0.00 0.00 34.13 32.13 1h72 s GLU 37 CO 0.04 0.43 -0.18 0.08 -0.54 0.00 0.00 175.26 175.09 1h72 s VAL 38 N -0.28 1.63 -0.09 3.70 1.01 0.93 -1.27 120.40 126.02 1h72 s VAL 38 Ca 0.00 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1h72 s VAL 38 Cb -0.13 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1h72 s VAL 38 CO 0.02 0.46 -0.21 -0.70 0.00 0.00 0.00 175.10 174.68 1h72 s GLU 39 N 0.62 2.74 0.28 2.72 2.12 -0.45 -0.86 118.70 125.88 1h72 s GLU 39 Ca -0.14 -0.77 -0.29 0.00 0.36 0.00 0.00 54.97 54.13 1h72 s GLU 39 Cb -0.16 -2.11 -0.10 0.00 0.26 0.00 0.00 34.13 32.03 1h72 s GLU 39 CO 0.04 0.13 1.18 0.00 -0.54 0.00 0.00 175.26 176.08 1h72 s ALA 40 N 0.45 3.44 0.12 6.30 0.00 0.48 -0.90 121.76 131.66 1h72 s ALA 40 Ca -0.17 1.03 0.05 0.00 0.00 0.00 0.00 51.96 52.87 1h72 s ALA 40 Cb -0.17 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1h72 s ALA 40 CO 0.07 -0.35 -0.12 0.96 0.00 0.00 0.00 175.76 176.32 1h72 s ILE 41 N -0.97 1.22 0.10 0.00 -4.36 -0.44 -4.85 121.20 111.90 1h72 s ILE 41 Ca 0.47 -1.78 -0.15 0.00 -0.26 0.00 0.00 60.65 58.94 1h72 s ILE 41 Cb -0.35 -1.56 -0.09 0.00 1.25 0.00 0.00 42.46 41.71 1h72 s ILE 41 CO 0.44 -0.52 1.41 0.44 0.24 0.00 0.00 174.94 176.95 1h72 h ASP 42 N 3.36 0.75 -3.84 4.36 3.32 -1.96 -0.92 116.42 121.50 1h72 h ASP 42 Ca -0.38 -0.49 -0.54 0.00 0.02 0.00 0.00 57.03 55.64 1h72 h ASP 42 Cb 1.19 -0.21 0.10 0.00 0.22 0.00 0.00 39.33 40.63 1h72 h ASP 42 CO 0.54 1.08 0.78 -1.81 -1.72 0.00 0.00 179.24 178.11 1h72 s ASP 43 N -6.57 6.41 -1.38 6.45 1.01 -1.26 -4.42 116.67 116.91 1h72 s ASP 43 Ca -0.12 2.98 -0.07 0.00 0.71 0.00 0.00 52.55 56.05 1h72 s ASP 43 Cb 0.08 -2.66 0.08 0.00 1.01 0.00 0.00 42.92 41.44 1h72 s ASP 43 CO 0.83 -0.83 2.41 0.29 0.21 0.00 0.00 175.17 178.08 1h72 n LYS 44 N 0.78 4.16 -4.20 8.23 5.02 -1.26 -2.33 118.16 128.56 1h72 n LYS 44 Ca 0.02 -3.17 -0.12 0.00 -2.02 0.00 0.00 58.31 53.02 1h72 n LYS 44 Cb 0.39 -2.75 -0.10 0.00 -0.02 0.00 0.00 35.03 32.55 1h72 n LYS 44 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1h72 s GLU 45 N -0.00 1.01 -0.21 1.97 -1.05 -1.26 -4.86 118.70 114.29 1h72 s GLU 45 Ca 0.54 -1.47 -0.02 0.00 -0.15 0.00 0.00 54.97 53.88 1h72 s GLU 45 Cb 0.17 -0.10 0.01 0.00 -0.44 0.00 0.00 34.13 33.77 1h72 s GLU 45 CO -0.07 -0.15 -0.10 0.42 0.95 0.00 0.00 175.26 176.30 1h72 s ILE 46 N -3.78 2.78 -0.14 1.83 1.01 -1.26 -2.12 121.20 119.53 1h72 s ILE 46 Ca 0.22 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 60.06 1h72 s ILE 46 Cb 0.06 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 1h72 s ILE 46 CO 0.02 0.41 -0.05 -0.63 0.00 0.00 0.00 174.94 174.68 1h72 s ILE 47 N 1.37 3.77 -0.06 2.92 1.01 -0.42 -4.62 121.20 125.17 1h72 s ILE 47 Ca 0.04 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.33 1h72 s ILE 47 Cb -0.14 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 1h72 s ILE 47 CO -0.07 0.51 -0.22 -0.63 0.00 0.00 0.00 174.94 174.53 1h72 s ILE 48 N 0.19 1.87 -0.07 2.92 1.01 -1.26 0.31 121.20 126.17 1h72 s ILE 48 Ca -0.03 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.71 1h72 s ILE 48 Cb -0.14 -1.59 -0.00 0.00 0.01 0.00 0.00 42.46 40.74 1h72 s ILE 48 CO 0.03 0.52 -0.20 -1.61 0.00 0.00 0.00 174.94 173.69 1h72 s GLU 49 N -0.01 2.28 -0.02 2.79 2.02 0.10 -4.77 118.70 121.08 1h72 s GLU 49 Ca -0.06 -0.70 -0.02 0.00 0.02 0.00 0.00 54.97 54.21 1h72 s GLU 49 Cb -0.14 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.24 1h72 s GLU 49 CO 0.04 0.20 0.05 0.54 0.02 0.00 0.00 175.26 176.11 1h72 s VAL 50 N 0.22 -0.00 -0.45 2.63 0.11 -1.26 0.54 120.40 122.19 1h72 s VAL 50 Ca -0.11 0.00 0.26 0.00 -2.93 0.00 0.00 61.98 59.21 1h72 s VAL 50 Cb -0.15 -0.07 0.31 0.00 -1.53 0.00 0.00 36.38 34.94 1h72 s VAL 50 CO 0.05 0.00 1.75 -2.24 -3.33 0.00 0.00 175.10 171.33 1h72 h ASP 51 N 6.08 0.00 -3.59 3.54 2.03 -1.75 -3.42 116.42 119.32 1h72 h ASP 51 Ca -0.24 0.00 -0.64 0.00 -0.73 0.00 0.00 57.03 55.42 1h72 h ASP 51 Cb 1.21 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.56 1h72 h ASP 51 CO 0.48 0.00 0.03 -0.62 -1.03 0.00 0.00 179.24 178.10 1h72 s ASP 52 N -5.16 6.37 0.07 4.15 -1.08 -1.26 -4.94 116.67 114.82 1h72 s ASP 52 Ca 0.07 0.09 0.12 0.00 -0.52 0.00 0.00 52.55 52.31 1h72 s ASP 52 Cb 0.09 -2.29 0.55 0.00 -1.46 0.00 0.00 42.92 39.81 1h72 s ASP 52 CO 0.57 -0.50 1.39 2.29 0.52 0.00 0.00 175.17 179.43 1h72 n LYS 53 N 5.84 0.05 -0.01 4.34 2.85 -1.26 -1.71 118.16 128.25 1h72 n LYS 53 Ca -0.03 0.39 0.13 0.00 -1.05 0.00 0.00 58.31 57.75 1h72 n LYS 53 Cb 0.49 -1.61 0.43 0.00 -0.65 0.00 0.00 35.03 33.70 1h72 n LYS 53 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1h72 n ASN 54 N -1.70 1.81 -4.61 -5.58 3.02 -1.26 -4.84 115.26 102.10 1h72 n ASN 54 Ca 0.02 -1.61 -0.34 0.00 -0.03 0.00 0.00 54.58 52.61 1h72 n ASN 54 Cb 0.12 -0.01 -0.10 0.00 -0.61 0.00 0.00 39.78 39.17 1h72 n ASN 54 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1h72 s ILE 55 N -1.98 4.65 0.58 2.41 1.01 -0.70 -5.07 121.20 122.10 1h72 s ILE 55 Ca 0.36 -0.08 -0.19 0.00 0.00 0.00 0.00 60.65 60.73 1h72 s ILE 55 Cb 0.21 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 1h72 s ILE 55 CO 0.32 0.46 1.23 -2.16 0.00 0.00 0.00 174.94 174.79 1h72 s PRO 56 N 0.39 3.05 -0.01 2.79 0.04 -1.26 -4.93 135.00 135.07 1h72 s PRO 56 Ca 0.02 1.89 0.21 0.00 0.04 0.00 0.00 61.00 63.16 1h72 s PRO 56 Cb -0.13 -2.01 -0.25 0.00 0.04 0.00 0.00 34.50 32.15 1h72 s PRO 56 CO 0.01 -1.16 0.81 0.25 0.04 0.00 0.00 177.00 176.94 1h72 n THR 57 N -1.43 0.00 -1.70 1.26 -2.24 -1.26 -4.37 114.28 104.55 1h72 n THR 57 Ca 0.13 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 1h72 n THR 57 Cb 0.49 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 1h72 n THR 57 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1h72 s ASP 58 N -3.34 6.44 0.47 3.42 -1.08 -1.26 -4.16 116.67 117.15 1h72 s ASP 58 Ca 0.04 2.71 0.32 0.00 -0.52 0.00 0.00 52.55 55.10 1h72 s ASP 58 Cb 0.16 -2.55 1.62 0.00 -1.46 0.00 0.00 42.92 40.68 1h72 s ASP 58 CO 0.88 -1.03 1.97 1.55 0.52 0.00 0.00 175.17 179.06 1h72 h PRO 59 N 9.62 0.00 -0.00 4.34 0.13 -1.88 0.22 132.00 144.42 1h72 h PRO 59 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1h72 h PRO 59 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1h72 h PRO 59 CO 0.94 0.00 -0.36 -0.25 -0.23 0.00 0.00 178.00 178.11 1h72 n ASP 60 N -2.67 0.82 -0.04 1.44 8.00 -1.26 -2.23 116.55 120.62 1h72 n ASP 60 Ca -0.01 -0.64 -0.05 0.00 0.71 0.00 0.00 54.79 54.80 1h72 n ASP 60 Cb 0.12 0.19 -0.04 0.00 -0.02 0.00 0.00 41.12 41.36 1h72 n ASP 60 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1h72 n LYS 61 N -0.99 0.97 -2.41 -1.24 5.02 -0.10 -4.86 118.16 114.55 1h72 n LYS 61 Ca 0.09 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 56.00 1h72 n LYS 61 Cb 0.34 -1.16 -0.03 0.00 -0.02 0.00 0.00 35.03 34.16 1h72 n LYS 61 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1h72 s ASN 62 N -4.51 7.08 0.53 4.39 3.84 0.57 -4.89 114.94 121.95 1h72 s ASN 62 Ca -0.09 2.06 0.19 0.00 0.21 0.00 0.00 52.86 55.23 1h72 s ASN 62 Cb 0.03 -2.58 1.36 0.00 -0.55 0.00 0.00 41.25 39.50 1h72 s ASN 62 CO 0.21 -0.45 2.13 -0.37 -2.79 0.00 0.00 177.10 175.83 1h72 h VAL 63 N 4.37 0.90 -0.79 -5.21 -1.51 -1.88 -0.70 116.25 111.42 1h72 h VAL 63 Ca -0.42 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.02 1h72 h VAL 63 Cb 1.21 0.95 -0.04 0.00 -2.13 0.00 0.00 31.29 31.29 1h72 h VAL 63 CO 0.80 0.00 0.39 0.00 -1.23 0.00 0.00 177.57 177.53 1h72 h ALA 64 N 1.95 1.20 -0.19 5.19 0.00 -1.90 -0.82 119.26 124.69 1h72 h ALA 64 Ca 0.04 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1h72 h ALA 64 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1h72 h ALA 64 CO -0.00 0.62 -0.53 0.78 0.00 0.00 0.00 179.25 180.12 1h72 h GLY 65 N 1.15 0.60 0.81 0.00 0.00 -1.29 -0.86 103.07 103.49 1h72 h GLY 65 Ca 0.28 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1h72 h GLY 65 CO -0.04 0.61 0.00 -2.22 0.00 0.00 0.00 176.54 174.90 1h72 h ILE 66 N 0.43 1.25 -0.28 2.60 2.04 -0.96 -0.68 117.51 121.92 1h72 h ILE 66 Ca 0.01 -0.85 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 1h72 h ILE 66 Cb 1.06 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.59 1h72 h ILE 66 CO 0.10 0.26 0.00 0.58 0.00 0.00 0.00 178.15 179.09 1h72 h VAL 67 N 0.08 1.25 -0.57 1.67 2.07 -1.14 -2.07 116.25 117.55 1h72 h VAL 67 Ca 0.05 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 1h72 h VAL 67 Cb 0.38 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1h72 h VAL 67 CO 0.01 0.29 0.35 0.00 0.02 0.00 0.00 177.57 178.24 1h72 h ALA 68 N 0.83 0.73 -0.40 1.67 0.00 -1.07 -1.70 119.26 119.31 1h72 h ALA 68 Ca 0.08 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1h72 h ALA 68 Cb 0.42 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1h72 h ALA 68 CO 0.01 0.20 0.24 -0.22 0.00 0.00 0.00 179.25 179.48 1h72 h LYS 69 N 0.77 0.54 -0.55 0.00 3.64 -1.05 0.21 116.57 120.13 1h72 h LYS 69 Ca 0.21 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1h72 h LYS 69 Cb -0.03 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 1h72 h LYS 69 CO -0.04 0.41 0.32 -0.22 -2.27 0.00 0.00 179.45 177.64 1h72 h LYS 70 N 0.52 0.60 -0.25 1.90 1.63 -1.03 0.81 116.57 120.74 1h72 h LYS 70 Ca 0.14 -0.04 -0.10 0.00 -0.85 0.00 0.00 60.65 59.81 1h72 h LYS 70 Cb 0.01 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.50 1h72 h LYS 70 CO -0.03 0.40 -0.22 0.52 -3.45 0.00 0.00 179.45 176.67 1h72 h MET 71 N 0.62 0.59 -0.31 1.90 2.86 -1.01 0.62 114.93 120.19 1h72 h MET 71 Ca 0.23 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1h72 h MET 71 Cb 0.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1h72 h MET 71 CO -0.12 0.89 0.20 0.82 1.06 0.00 0.00 176.91 179.76 1h72 h ILE 72 N 0.31 1.09 -0.43 -1.22 2.04 -0.30 -1.77 117.51 117.23 1h72 h ILE 72 Ca 0.04 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 1h72 h ILE 72 Cb 0.76 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1h72 h ILE 72 CO 0.06 0.09 0.00 0.44 0.00 0.00 0.00 178.15 178.74 1h72 h ASP 73 N 0.42 0.74 0.17 1.72 3.32 -0.80 -0.36 116.42 121.63 1h72 h ASP 73 Ca 0.11 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1h72 h ASP 73 Cb -0.03 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 1h72 h ASP 73 CO -0.02 0.87 -0.11 0.44 -1.72 0.00 0.00 179.24 178.70 1h72 h ASP 74 N 0.60 0.00 -0.41 6.45 5.19 -0.55 -2.11 116.42 125.58 1h72 h ASP 74 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1h72 h ASP 74 Cb 0.48 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1h72 h ASP 74 CO 0.02 0.11 0.00 0.49 -3.12 0.00 0.00 179.24 176.74 1h72 n PHE 75 N -4.09 1.01 -4.09 4.55 3.01 -0.69 -4.95 117.46 112.21 1h72 n PHE 75 Ca -0.02 -0.68 -0.34 0.00 1.01 0.00 0.00 57.45 57.42 1h72 n PHE 75 Cb 0.19 -0.22 -0.00 0.00 -0.01 0.00 0.00 39.48 39.44 1h72 n PHE 75 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1h72 n ASN 76 N 0.32 -3.98 -4.75 4.37 3.02 -0.79 -4.89 115.26 108.56 1h72 n ASN 76 Ca 0.20 -0.91 -0.41 0.00 -0.03 0.00 0.00 54.58 53.43 1h72 n ASN 76 Cb 0.77 -3.26 -0.03 0.00 -0.61 0.00 0.00 39.78 36.65 1h72 n ASN 76 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1h72 s ILE 77 N -3.29 3.31 -0.33 2.41 1.01 -0.21 -4.91 121.20 119.19 1h72 s ILE 77 Ca 0.71 1.17 0.11 0.00 0.00 0.00 0.00 60.65 62.64 1h72 s ILE 77 Cb -0.37 -3.75 0.72 0.00 0.01 0.00 0.00 42.46 39.07 1h72 s ILE 77 CO 0.89 0.22 1.69 0.61 0.00 0.00 0.00 174.94 178.35 1h72 n GLY 78 N 1.74 3.18 3.59 6.18 0.00 -1.26 -4.84 105.19 113.78 1h72 n GLY 78 Ca 0.03 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 1h72 n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h72 s LYS 79 N -2.71 1.93 0.54 1.61 1.02 -1.26 -4.82 119.74 116.05 1h72 s LYS 79 Ca 0.50 -1.95 0.08 0.00 0.02 0.00 0.00 55.97 54.62 1h72 s LYS 79 Cb 0.39 -1.74 0.08 0.00 -0.52 0.00 0.00 37.83 36.04 1h72 s LYS 79 CO 0.14 0.07 0.65 0.41 -0.92 0.00 0.00 175.35 175.70 1h72 n GLY 80 N -0.90 2.20 3.04 -3.33 0.00 -0.35 -4.78 105.19 101.08 1h72 n GLY 80 Ca -0.05 -2.24 -0.11 0.00 0.00 0.00 0.00 46.02 43.62 1h72 n GLY 80 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1h72 s VAL 81 N -2.48 0.08 -0.20 1.61 -7.23 -0.90 -1.32 120.40 109.97 1h72 s VAL 81 Ca 0.49 -0.68 -0.07 0.00 -1.81 0.00 0.00 61.98 59.92 1h72 s VAL 81 Cb -0.04 -0.33 -0.03 0.00 0.56 0.00 0.00 36.38 36.53 1h72 s VAL 81 CO 0.31 -0.37 0.04 -0.75 -0.31 0.00 0.00 175.10 174.03 1h72 s LYS 82 N -1.22 3.81 -0.17 4.82 2.20 -0.08 -1.30 119.74 127.80 1h72 s LYS 82 Ca -0.13 -0.42 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 1h72 s LYS 82 Cb -0.08 -3.19 0.01 0.00 -1.51 0.00 0.00 37.83 33.06 1h72 s LYS 82 CO 0.00 0.12 -0.17 0.42 -0.36 0.00 0.00 175.35 175.36 1h72 s ILE 83 N 0.78 2.41 -0.15 5.43 1.01 0.15 -1.33 121.20 129.49 1h72 s ILE 83 Ca 0.02 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 1h72 s ILE 83 Cb -0.14 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 1h72 s ILE 83 CO 0.02 0.52 -0.08 0.42 0.00 0.00 0.00 174.94 175.82 1h72 s THR 84 N 1.07 3.42 -0.09 2.92 -4.23 -0.39 -0.72 115.64 117.62 1h72 s THR 84 Ca -0.01 -0.52 0.04 0.00 -1.18 0.00 0.00 61.69 60.02 1h72 s THR 84 Cb -0.14 -2.48 0.00 0.00 1.34 0.00 0.00 72.50 71.22 1h72 s THR 84 CO -0.05 0.50 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.68 1h72 s ILE 85 N 0.46 1.85 -0.27 2.99 1.01 0.19 -1.37 121.20 126.06 1h72 s ILE 85 Ca -0.07 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.67 1h72 s ILE 85 Cb -0.15 -1.60 0.04 0.00 0.01 0.00 0.00 42.46 40.76 1h72 s ILE 85 CO 0.04 0.51 -0.05 -0.54 0.00 0.00 0.00 174.94 174.90 1h72 s LYS 86 N 0.33 2.54 0.25 2.79 1.02 -0.23 -1.78 119.74 124.66 1h72 s LYS 86 Ca -0.16 -1.17 -0.30 0.00 0.02 0.00 0.00 55.97 54.37 1h72 s LYS 86 Cb -0.17 -3.03 -0.09 0.00 -0.52 0.00 0.00 37.83 34.02 1h72 s LYS 86 CO 0.07 -0.52 1.22 0.15 -0.92 0.00 0.00 175.35 175.35 1h72 s LYS 87 N 1.25 4.48 -0.00 1.68 -0.14 -1.26 -1.07 119.74 124.67 1h72 s LYS 87 Ca -0.04 1.97 -0.18 0.00 -1.36 0.00 0.00 55.97 56.36 1h72 s LYS 87 Cb -0.19 -3.18 -0.34 0.00 -1.68 0.00 0.00 37.83 32.45 1h72 s LYS 87 CO -0.03 -0.06 0.94 0.78 -0.76 0.00 0.00 175.35 176.21 1h72 h GLY 88 N 4.46 0.51 -3.73 -3.33 0.00 -1.84 -3.47 103.07 95.67 1h72 h GLY 88 Ca -0.46 -1.31 -0.09 0.00 0.00 0.00 0.00 47.33 45.47 1h72 h GLY 88 CO 0.71 1.14 -0.27 0.54 0.00 0.00 0.00 176.54 178.66 1h72 s VAL 89 N -2.53 0.09 0.89 4.60 0.11 -1.26 -4.74 120.40 117.56 1h72 s VAL 89 Ca -0.11 -0.76 -0.10 0.00 -2.93 0.00 0.00 61.98 58.08 1h72 s VAL 89 Cb 0.03 -0.99 0.13 0.00 -1.53 0.00 0.00 36.38 34.02 1h72 s VAL 89 CO 0.90 -0.42 1.13 -1.59 -3.33 0.00 0.00 175.10 171.79 1h72 s LYS 90 N -2.76 1.25 0.79 1.54 -2.85 -1.26 -4.85 119.74 111.60 1h72 s LYS 90 Ca -0.04 1.40 -0.11 0.00 -1.00 0.00 0.00 55.97 56.23 1h72 s LYS 90 Cb -0.00 -1.77 0.06 0.00 -2.06 0.00 0.00 37.83 34.07 1h72 s LYS 90 CO -0.05 -2.42 1.09 0.00 0.10 0.00 0.00 175.35 174.08 1h72 s ALA 91 N -2.72 2.18 -1.15 0.59 0.00 -1.26 -3.67 121.76 115.73 1h72 s ALA 91 Ca 0.65 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.86 1h72 s ALA 91 Cb -0.21 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1h72 s ALA 91 CO 0.58 -1.84 0.00 0.41 0.00 0.00 0.00 175.76 174.91 1h72 n GLY 92 N -1.17 0.02 0.00 0.00 0.00 -1.26 -4.87 105.19 97.91 1h72 n GLY 92 Ca 0.09 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.86 1h72 n GLY 92 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1h72 n SER 93 N -0.44 0.59 0.00 1.61 7.64 -1.24 -1.01 113.62 120.77 1h72 n SER 93 Ca -0.15 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.16 1h72 n SER 93 Cb 0.59 1.42 0.00 0.00 -1.01 0.00 0.00 64.21 65.22 1h72 n SER 93 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h72 n GLY 94 N 1.40 0.64 0.85 0.23 0.00 -0.91 -1.43 105.19 105.96 1h72 n GLY 94 Ca 0.01 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.97 1h72 n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h72 n LEU 95 N 0.00 3.79 -2.98 0.99 4.77 -1.26 -3.26 117.00 119.05 1h72 n LEU 95 Ca 0.00 -3.06 -0.20 0.00 -0.03 0.00 0.00 56.01 52.72 1h72 n LEU 95 Cb 0.00 -0.54 0.06 0.00 -2.33 0.00 0.00 43.42 40.61 1h72 n LEU 95 CO 0.00 0.71 0.17 0.61 -1.33 0.00 0.00 177.39 177.54 1h72 n GLY 96 N -0.62 -0.30 0.06 -0.72 0.00 -1.22 -1.41 105.19 100.99 1h72 n GLY 96 Ca 0.22 0.08 -0.11 0.00 0.00 0.00 0.00 46.02 46.21 1h72 n GLY 96 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1h72 h SER 97 N -2.05 -0.05 -0.64 1.61 0.87 -1.89 0.11 113.55 111.51 1h72 h SER 97 Ca -0.47 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.06 1h72 h SER 97 Cb 1.31 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.28 1h72 h SER 97 CO 0.47 -0.01 0.22 -1.28 -0.53 0.00 0.00 176.83 175.69 1h72 h SER 98 N 0.01 0.92 -0.21 6.23 0.87 -1.91 -2.33 113.55 117.13 1h72 h SER 98 Ca 0.04 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.37 1h72 h SER 98 Cb 0.05 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 1h72 h SER 98 CO -0.07 0.87 0.04 0.00 -0.53 0.00 0.00 176.83 177.14 1h72 h ALA 99 N 1.08 1.52 -0.35 6.23 0.00 -1.86 0.15 119.26 126.04 1h72 h ALA 99 Ca 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1h72 h ALA 99 Cb 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1h72 h ALA 99 CO -0.01 0.36 0.16 0.00 0.00 0.00 0.00 179.25 179.76 1h72 h ALA 100 N 1.62 0.45 -0.57 0.00 0.00 -0.24 0.12 119.26 120.63 1h72 h ALA 100 Ca 0.10 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1h72 h ALA 100 Cb 0.23 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1h72 h ALA 100 CO 0.00 0.01 -0.03 0.77 0.00 0.00 0.00 179.25 180.00 1h72 h SER 101 N 0.42 1.01 -0.09 0.00 0.02 -1.06 0.75 113.55 114.60 1h72 h SER 101 Ca 0.12 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1h72 h SER 101 Cb 0.13 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 1h72 h SER 101 CO -0.01 1.08 0.01 0.28 -1.14 0.00 0.00 176.83 177.05 1h72 h SER 102 N 0.93 0.15 -0.33 3.07 0.02 -0.43 -0.84 113.55 116.13 1h72 h SER 102 Ca 0.16 -0.28 -0.07 0.00 -0.84 0.00 0.00 61.79 60.75 1h72 h SER 102 Cb 0.59 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 1h72 h SER 102 CO 0.04 0.39 -0.09 0.00 -1.14 0.00 0.00 176.83 176.03 1h72 h ALA 103 N 0.76 0.45 -0.76 3.77 0.00 -0.78 -0.51 119.26 122.20 1h72 h ALA 103 Ca 0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1h72 h ALA 103 Cb 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1h72 h ALA 103 CO 0.00 0.30 0.33 0.78 0.00 0.00 0.00 179.25 180.66 1h72 h GLY 104 N 0.42 1.20 0.90 0.00 0.00 -0.86 -0.75 103.07 103.98 1h72 h GLY 104 Ca 0.08 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 1h72 h GLY 104 CO 0.03 0.59 -0.01 -0.84 0.00 0.00 0.00 176.54 176.32 1h72 h THR 105 N 1.09 1.26 -0.33 4.70 2.02 -1.01 0.32 112.91 120.95 1h72 h THR 105 Ca 0.26 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.50 1h72 h THR 105 Cb 0.17 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 1h72 h THR 105 CO -0.03 0.32 0.10 0.00 0.37 0.00 0.00 175.52 176.28 1h72 h ALA 106 N 0.84 0.37 -0.41 6.16 0.00 -0.68 0.12 119.26 125.66 1h72 h ALA 106 Ca 0.09 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1h72 h ALA 106 Cb 0.46 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1h72 h ALA 106 CO 0.02 -0.30 0.26 -0.92 0.00 0.00 0.00 179.25 178.31 1h72 h TYR 107 N 0.23 0.52 -0.46 0.00 3.20 -1.06 -0.83 116.97 118.56 1h72 h TYR 107 Ca 0.15 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 1h72 h TYR 107 Cb 0.14 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 1h72 h TYR 107 CO -0.15 0.33 0.07 0.00 -1.64 0.00 0.00 178.16 176.77 1h72 h ALA 108 N 1.14 0.61 -0.53 1.82 0.00 -0.25 -1.41 119.26 120.64 1h72 h ALA 108 Ca 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1h72 h ALA 108 Cb -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1h72 h ALA 108 CO -0.03 0.34 0.26 0.82 0.00 0.00 0.00 179.25 180.64 1h72 h ILE 109 N 0.63 1.20 -0.51 0.00 1.08 -0.65 0.43 117.51 119.68 1h72 h ILE 109 Ca 0.14 -0.55 0.05 0.00 -0.39 0.00 0.00 64.86 64.11 1h72 h ILE 109 Cb 0.39 0.58 -0.05 0.00 -3.07 0.00 0.00 36.82 34.67 1h72 h ILE 109 CO 0.01 0.22 0.24 -1.13 -0.69 0.00 0.00 178.15 176.80 1h72 h ASN 110 N 0.71 0.33 -0.04 1.72 -1.24 -0.88 -0.72 115.58 115.47 1h72 h ASN 110 Ca 0.18 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 1h72 h ASN 110 Cb 0.11 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.14 1h72 h ASN 110 CO -0.02 0.23 -0.03 -0.33 -1.29 0.00 0.00 177.43 175.99 1h72 h GLU 111 N 0.47 0.09 -0.79 6.67 4.39 -0.94 -0.45 114.58 124.03 1h72 h GLU 111 Ca 0.23 -0.04 0.06 0.00 0.34 0.00 0.00 59.36 59.95 1h72 h GLU 111 Cb 0.17 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.76 1h72 h GLU 111 CO -0.18 0.51 0.47 1.25 -1.16 0.00 0.00 179.01 179.91 1h72 h LEU 112 N -0.33 0.73 -3.06 1.33 5.85 0.14 -2.47 115.31 117.50 1h72 h LEU 112 Ca 0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1h72 h LEU 112 Cb 0.49 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1h72 h LEU 112 CO 0.01 0.46 0.00 0.49 -0.34 0.00 0.00 178.44 179.06 1h72 n PHE 113 N -4.69 1.23 -3.99 1.25 3.01 -0.30 -4.79 117.46 109.18 1h72 n PHE 113 Ca 0.11 -0.60 -0.29 0.00 1.01 0.00 0.00 57.45 57.68 1h72 n PHE 113 Cb 0.18 -0.19 -0.02 0.00 -0.01 0.00 0.00 39.48 39.44 1h72 n PHE 113 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1h72 n LYS 114 N 0.98 -2.39 0.08 -1.08 5.02 -0.51 -4.86 118.16 115.39 1h72 n LYS 114 Ca 0.23 0.33 0.13 0.00 -2.02 0.00 0.00 58.31 56.98 1h72 n LYS 114 Cb 0.79 -4.16 0.47 0.00 -0.02 0.00 0.00 35.03 32.11 1h72 n LYS 114 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1h72 n LEU 115 N -4.46 0.54 -4.05 -0.35 4.77 -0.29 -4.93 117.00 108.23 1h72 n LEU 115 Ca -0.27 0.57 -0.33 0.00 -0.03 0.00 0.00 56.01 55.94 1h72 n LEU 115 Cb 0.67 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1h72 n LEU 115 CO 0.76 -0.20 0.05 0.59 -1.33 0.00 0.00 177.39 177.26 1h72 n ASN 116 N -2.02 -4.21 -4.80 -1.43 3.02 -1.26 -4.95 115.26 99.60 1h72 n ASN 116 Ca 0.05 -0.88 -0.37 0.00 -0.03 0.00 0.00 54.58 53.36 1h72 n ASN 116 Cb 0.36 -3.39 -0.06 0.00 -0.61 0.00 0.00 39.78 36.08 1h72 n ASN 116 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1h72 s LEU 117 N -7.29 4.35 0.84 3.41 1.43 -1.26 -5.05 118.68 115.11 1h72 s LEU 117 Ca 0.71 1.64 -0.12 0.00 -1.03 0.00 0.00 54.13 55.33 1h72 s LEU 117 Cb -0.37 -3.80 0.10 0.00 0.03 0.00 0.00 46.19 42.15 1h72 s LEU 117 CO 0.87 -0.02 1.17 1.51 0.23 0.00 0.00 176.35 180.12 1h72 s ASP 118 N -1.62 4.18 0.23 2.29 3.84 -1.26 -4.83 116.67 119.49 1h72 s ASP 118 Ca 0.47 0.80 -0.08 0.00 -0.00 0.00 0.00 52.55 53.74 1h72 s ASP 118 Cb -0.18 -1.29 0.25 0.00 -1.38 0.00 0.00 42.92 40.32 1h72 s ASP 118 CO 0.22 -2.11 1.86 0.11 -0.00 0.00 0.00 175.17 175.25 1h72 h LYS 119 N -1.20 0.94 -0.67 2.11 1.57 -1.99 -1.58 116.57 115.75 1h72 h LYS 119 Ca -0.47 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.31 1h72 h LYS 119 Cb 1.33 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 33.37 1h72 h LYS 119 CO 0.64 0.62 0.39 1.25 -0.57 0.00 0.00 179.45 181.78 1h72 h LEU 120 N 0.97 0.59 -0.87 2.94 5.85 -1.98 -0.48 115.31 122.33 1h72 h LEU 120 Ca 0.33 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.98 1h72 h LEU 120 Cb 0.05 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1h72 h LEU 120 CO -0.13 0.39 -0.11 0.50 -0.34 0.00 0.00 178.44 178.75 1h72 h LYS 121 N 0.72 0.72 -0.40 1.25 1.63 -1.78 -0.29 116.57 118.43 1h72 h LYS 121 Ca 0.30 -0.23 -0.06 0.00 -0.85 0.00 0.00 60.65 59.81 1h72 h LYS 121 Cb 0.15 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 1h72 h LYS 121 CO -0.17 0.81 0.01 -0.07 -3.45 0.00 0.00 179.45 176.58 1h72 h LEU 122 N 0.65 0.59 -0.26 5.20 3.38 -0.34 0.18 115.31 124.70 1h72 h LEU 122 Ca 0.11 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1h72 h LEU 122 Cb 0.57 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1h72 h LEU 122 CO 0.04 0.65 -0.26 0.58 0.09 0.00 0.00 178.44 179.54 1h72 h VAL 123 N 0.59 1.31 -0.05 1.22 2.07 -0.46 0.06 116.25 120.99 1h72 h VAL 123 Ca 0.12 -1.42 0.03 0.00 0.82 0.00 0.00 66.70 66.25 1h72 h VAL 123 Cb 0.36 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1h72 h VAL 123 CO 0.01 0.45 -0.11 -0.78 0.02 0.00 0.00 177.57 177.16 1h72 h ASP 124 N 0.36 -0.33 -0.73 0.57 3.58 -0.75 0.95 116.42 120.08 1h72 h ASP 124 Ca 0.04 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.56 1h72 h ASP 124 Cb 0.82 0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.98 1h72 h ASP 124 CO 0.06 -0.15 0.48 1.88 -2.88 0.00 0.00 179.24 178.63 1h72 h TYR 125 N -0.16 0.91 -0.24 0.28 -1.99 -0.85 -2.36 116.97 112.55 1h72 h TYR 125 Ca 0.06 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.77 1h72 h TYR 125 Cb 0.24 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.65 1h72 h TYR 125 CO -0.19 0.57 -0.00 0.00 -0.00 0.00 0.00 178.16 178.53 1h72 h ALA 126 N 1.27 1.55 0.00 3.88 0.00 -0.49 -1.19 119.26 124.28 1h72 h ALA 126 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1h72 h ALA 126 Cb -0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1h72 h ALA 126 CO -0.06 0.33 0.00 0.66 0.00 0.00 0.00 179.25 180.18 1h72 h SER 127 N 0.35 0.00 0.72 0.00 4.64 -0.26 0.17 113.55 119.17 1h72 h SER 127 Ca 0.08 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 1h72 h SER 127 Cb 0.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1h72 h SER 127 CO 0.01 0.00 -0.16 1.88 -0.87 0.00 0.00 176.83 177.69 1h72 h TYR 128 N 0.00 0.00 -0.03 4.77 -1.99 -1.21 -1.25 116.97 117.26 1h72 h TYR 128 Ca 0.00 0.00 -0.24 0.00 2.00 0.00 0.00 58.73 60.49 1h72 h TYR 128 Cb 0.18 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.92 1h72 h TYR 128 CO 0.00 0.16 -0.94 0.78 -0.00 0.00 0.00 178.16 178.16 1h72 h GLY 129 N 1.60 0.66 1.93 3.88 0.00 -0.78 -3.16 103.07 107.19 1h72 h GLY 129 Ca -0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 47.33 46.14 1h72 h GLY 129 CO 0.02 0.96 -0.47 0.83 0.00 0.00 0.00 176.54 177.88 1h72 h GLU 130 N 0.35 0.08 0.28 4.80 4.39 -1.35 -2.19 114.58 120.95 1h72 h GLU 130 Ca -0.09 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1h72 h GLU 130 Cb 1.57 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.20 1h72 h GLU 130 CO 0.18 0.54 -0.32 1.25 -1.16 0.00 0.00 179.01 179.49 1h72 h LEU 131 N 0.07 -0.88 -0.33 1.33 5.85 -1.12 -0.38 115.31 119.85 1h72 h LEU 131 Ca 0.00 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1h72 h LEU 131 Cb 0.87 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1h72 h LEU 131 CO 0.07 -0.45 0.18 0.00 -0.34 0.00 0.00 178.44 177.90 1h72 h ALA 132 N -0.10 0.42 0.00 1.25 0.00 -1.49 1.44 119.26 120.79 1h72 h ALA 132 Ca -0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1h72 h ALA 132 Cb 0.60 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1h72 h ALA 132 CO -0.09 -0.06 -0.19 0.66 0.00 0.00 0.00 179.25 179.58 1h72 h SER 133 N 0.41 0.00 0.00 0.00 4.64 -1.31 -3.34 113.55 113.96 1h72 h SER 133 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1h72 h SER 133 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1h72 h SER 133 CO -0.02 0.19 0.00 -1.54 -0.87 0.00 0.00 176.83 174.59 1h72 n SER 134 N -3.22 0.25 0.00 4.97 3.41 -0.16 -4.88 113.62 113.99 1h72 n SER 134 Ca 0.02 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 1h72 n SER 134 Cb 0.51 0.65 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 1h72 n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h72 n GLY 135 N 0.65 0.69 2.89 5.00 0.00 0.49 -4.55 105.19 110.35 1h72 n GLY 135 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1h72 n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h72 s ALA 136 N -2.72 -0.16 -0.30 4.61 0.00 -1.00 -4.96 121.76 117.23 1h72 s ALA 136 Ca 0.00 0.52 -0.05 0.00 0.00 0.00 0.00 51.96 52.42 1h72 s ALA 136 Cb 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 23.12 22.60 1h72 s ALA 136 CO 0.00 -0.13 2.75 1.17 0.00 0.00 0.00 175.76 179.56 1h72 n LYS 137 N 4.02 1.81 -2.49 0.00 4.81 -1.26 -2.92 118.16 122.13 1h72 n LYS 137 Ca -0.25 -1.00 -0.37 0.00 -0.87 0.00 0.00 58.31 55.82 1h72 n LYS 137 Cb 0.52 -2.05 -0.04 0.00 0.02 0.00 0.00 35.03 33.49 1h72 n LYS 137 CO 0.00 0.00 0.00 -3.38 1.17 0.00 0.00 177.40 175.19 1h72 s HIS 138 N 1.84 3.28 -0.12 5.64 -3.43 -1.26 -4.89 115.29 116.34 1h72 s HIS 138 Ca 0.51 1.64 0.01 0.00 -0.80 0.00 0.00 55.06 56.42 1h72 s HIS 138 Cb 0.21 -3.19 0.03 0.00 -1.43 0.00 0.00 32.58 28.21 1h72 s HIS 138 CO -0.01 -0.73 0.98 0.00 -2.00 0.00 0.00 174.74 172.98 1h72 n ALA 139 N 0.12 2.08 0.42 -1.38 0.00 -1.26 -4.74 120.51 115.75 1h72 n ALA 139 Ca 0.04 -0.96 0.12 0.00 0.00 0.00 0.00 53.44 52.64 1h72 n ALA 139 Cb 0.48 -0.05 0.47 0.00 0.00 0.00 0.00 19.45 20.36 1h72 n ALA 139 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h72 n ASP 140 N -0.33 0.62 -0.12 0.00 5.75 -1.26 -0.73 116.55 120.49 1h72 n ASP 140 Ca 0.01 0.65 -0.17 0.00 -0.01 0.00 0.00 54.79 55.27 1h72 n ASP 140 Cb 0.24 -0.78 -0.11 0.00 -1.03 0.00 0.00 41.12 39.45 1h72 n ASP 140 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1h72 n ASN 141 N -2.18 2.14 0.20 -1.12 3.02 -1.26 -4.27 115.26 111.80 1h72 n ASN 141 Ca 0.02 -0.09 0.06 0.00 -0.03 0.00 0.00 54.58 54.54 1h72 n ASN 141 Cb 0.24 -0.40 0.44 0.00 -0.61 0.00 0.00 39.78 39.45 1h72 n ASN 141 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1h72 h VAL 142 N -0.08 1.00 0.47 2.41 -1.51 -1.84 -2.25 116.25 114.45 1h72 h VAL 142 Ca -0.53 -1.16 -0.02 0.00 -1.23 0.00 0.00 66.70 63.75 1h72 h VAL 142 Cb 1.79 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 32.62 1h72 h VAL 142 CO -0.11 0.31 -0.22 0.00 -1.23 0.00 0.00 177.57 176.31 1h72 h ALA 143 N 1.69 -0.63 0.00 5.19 0.00 -1.16 -2.08 119.26 122.27 1h72 h ALA 143 Ca -0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1h72 h ALA 143 Cb 0.64 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1h72 h ALA 143 CO 0.04 -0.84 -0.33 -1.00 0.00 0.00 0.00 179.25 177.12 1h72 h PRO 144 N -0.66 0.00 -0.57 0.00 0.13 -1.76 0.15 132.00 129.29 1h72 h PRO 144 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 1h72 h PRO 144 Cb 0.50 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.60 1h72 h PRO 144 CO 0.11 0.33 0.32 0.00 -0.23 0.00 0.00 178.00 178.53 1h72 h ALA 145 N 1.67 1.49 0.00 -0.56 0.00 -1.10 0.17 119.26 120.92 1h72 h ALA 145 Ca -0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1h72 h ALA 145 Cb 0.65 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1h72 h ALA 145 CO 0.04 0.43 -0.71 0.82 0.00 0.00 0.00 179.25 179.84 1h72 h ILE 146 N 0.79 1.23 0.00 0.00 1.08 -0.93 0.13 117.51 119.81 1h72 h ILE 146 Ca 0.20 -2.19 -0.11 0.00 -0.39 0.00 0.00 64.86 62.37 1h72 h ILE 146 Cb 0.01 2.59 -0.02 0.00 -3.07 0.00 0.00 36.82 36.33 1h72 h ILE 146 CO -0.03 0.42 -0.52 -0.26 -0.69 0.00 0.00 178.15 177.06 1h72 h PHE 147 N -1.00 0.00 -0.37 1.37 -1.00 -0.71 -3.38 116.94 111.85 1h72 h PHE 147 Ca -0.19 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.63 1h72 h PHE 147 Cb 1.13 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.68 1h72 h PHE 147 CO 0.16 0.52 -0.09 0.41 -1.61 0.00 0.00 178.31 177.70 1h72 n GLY 148 N 0.78 -1.86 7.00 -1.45 0.00 0.59 -4.70 105.19 105.56 1h72 n GLY 148 Ca 0.01 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1h72 n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h72 n GLY 149 N -2.38 1.49 3.46 -0.02 0.00 -0.38 -4.64 105.19 102.72 1h72 n GLY 149 Ca -0.00 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 1h72 n GLY 149 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1h72 s PHE 150 N 0.00 2.92 0.18 1.61 5.36 -0.75 -0.75 117.98 126.55 1h72 s PHE 150 Ca 0.00 -0.38 0.07 0.00 -0.96 0.00 0.00 56.93 55.66 1h72 s PHE 150 Cb 0.00 -1.87 -0.04 0.00 -0.34 0.00 0.00 43.02 40.77 1h72 s PHE 150 CO 0.00 -0.04 -0.14 0.95 -1.46 0.00 0.00 175.22 174.53 1h72 s THR 151 N 0.15 1.58 -0.07 0.12 -4.23 -0.19 -0.31 115.64 112.69 1h72 s THR 151 Ca -0.04 -2.07 -0.01 0.00 -1.18 0.00 0.00 61.69 58.39 1h72 s THR 151 Cb -0.14 -1.90 0.03 0.00 1.34 0.00 0.00 72.50 71.82 1h72 s THR 151 CO 0.04 -0.56 -0.02 -0.04 -0.54 0.00 0.00 174.62 173.50 1h72 s MET 152 N -3.41 0.75 -0.49 3.99 1.00 0.01 -1.35 119.30 119.80 1h72 s MET 152 Ca 0.18 0.02 -0.23 0.00 0.00 0.00 0.00 55.69 55.66 1h72 s MET 152 Cb -0.01 -1.00 0.03 0.00 0.00 0.00 0.00 34.83 33.85 1h72 s MET 152 CO 0.05 -0.25 0.84 0.08 0.00 0.00 0.00 175.02 175.74 1h72 s VAL 153 N 1.70 4.57 -2.06 -6.03 1.01 -0.20 -0.68 120.40 118.70 1h72 s VAL 153 Ca 0.01 0.32 0.18 0.00 0.00 0.00 0.00 61.98 62.49 1h72 s VAL 153 Cb -0.13 -4.40 0.26 0.00 0.00 0.00 0.00 36.38 32.11 1h72 s VAL 153 CO -0.04 -0.87 1.19 0.35 0.00 0.00 0.00 175.10 175.72 1h72 n THR 154 N 6.14 0.31 -3.59 3.92 -2.24 -0.66 -4.65 114.28 113.52 1h72 n THR 154 Ca 0.02 -0.66 -0.07 0.00 -2.27 0.00 0.00 64.05 61.07 1h72 n THR 154 Cb 0.48 1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 69.77 1h72 n THR 154 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1h72 s ASN 155 N -1.37 -0.26 0.19 3.42 3.84 -1.23 -4.91 114.94 114.62 1h72 s ASN 155 Ca 0.27 0.22 0.08 0.00 0.21 0.00 0.00 52.86 53.64 1h72 s ASN 155 Cb 0.17 0.22 -0.04 0.00 -0.55 0.00 0.00 41.25 41.04 1h72 s ASN 155 CO 0.24 -0.28 -0.16 -0.31 -2.79 0.00 0.00 177.10 173.80 1h72 s TYR 156 N -1.44 1.75 -0.86 0.43 1.51 -1.26 -1.09 117.35 116.39 1h72 s TYR 156 Ca 0.03 -0.52 -0.03 0.00 -1.01 0.00 0.00 57.07 55.54 1h72 s TYR 156 Cb -0.01 -0.84 0.00 0.00 -0.11 0.00 0.00 41.96 41.01 1h72 s TYR 156 CO -0.03 0.35 0.61 0.39 -1.11 0.00 0.00 175.55 175.76 1h72 n GLU 157 N -0.06 -1.42 -3.13 -0.62 -0.58 -1.26 -4.49 120.64 109.09 1h72 n GLU 157 Ca -0.10 0.69 -0.28 0.00 -0.42 0.00 0.00 57.16 57.04 1h72 n GLU 157 Cb 0.59 -2.31 -0.03 0.00 -0.57 0.00 0.00 31.44 29.12 1h72 n GLU 157 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1h72 s PRO 158 N -5.18 3.65 0.24 3.49 0.04 -1.26 -5.13 135.00 130.84 1h72 s PRO 158 Ca 0.05 0.12 -0.30 0.00 0.04 0.00 0.00 61.00 60.91 1h72 s PRO 158 Cb -0.03 -2.55 -0.10 0.00 0.04 0.00 0.00 34.50 31.87 1h72 s PRO 158 CO 0.90 0.09 1.42 -1.17 0.04 0.00 0.00 177.00 178.28 1h72 s LEU 159 N -3.85 4.39 -0.03 -3.56 2.96 -1.26 -4.68 118.68 112.66 1h72 s LEU 159 Ca 0.46 2.62 0.02 0.00 -0.22 0.00 0.00 54.13 57.01 1h72 s LEU 159 Cb -0.10 -3.62 0.01 0.00 0.50 0.00 0.00 46.19 42.97 1h72 s LEU 159 CO 0.33 -0.67 -0.08 -1.61 -1.32 0.00 0.00 176.35 173.00 1h72 s GLU 160 N -0.33 0.91 -0.05 1.98 2.02 -0.25 -4.92 118.70 118.06 1h72 s GLU 160 Ca 0.59 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 55.33 1h72 s GLU 160 Cb -0.41 -0.86 0.02 0.00 0.10 0.00 0.00 34.13 32.98 1h72 s GLU 160 CO 0.42 0.07 -0.06 0.08 0.02 0.00 0.00 175.26 175.80 1h72 s VAL 161 N 0.31 0.65 -0.11 2.63 1.01 -1.26 -1.65 120.40 121.98 1h72 s VAL 161 Ca -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.72 1h72 s VAL 161 Cb -0.09 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.62 1h72 s VAL 161 CO 0.00 0.24 -0.06 -0.76 0.00 0.00 0.00 175.10 174.53 1h72 s LEU 162 N 0.79 3.15 -0.06 3.92 1.43 0.15 -4.95 118.68 123.12 1h72 s LEU 162 Ca -0.12 -0.10 0.05 0.00 -1.03 0.00 0.00 54.13 52.93 1h72 s LEU 162 Cb -0.14 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1h72 s LEU 162 CO 0.01 0.26 -0.20 -2.28 0.23 0.00 0.00 176.35 174.37 1h72 s HIS 163 N -0.20 2.56 -0.23 0.29 5.65 -1.26 -0.81 115.29 121.28 1h72 s HIS 163 Ca 0.03 -0.47 0.00 0.00 0.25 0.00 0.00 55.06 54.87 1h72 s HIS 163 Cb -0.13 -1.63 0.06 0.00 -1.18 0.00 0.00 32.58 29.70 1h72 s HIS 163 CO 0.03 -0.05 -0.05 0.42 -0.65 0.00 0.00 174.74 174.44 1h72 s ILE 164 N -0.36 1.43 0.61 0.89 1.01 0.58 -5.02 121.20 120.35 1h72 s ILE 164 Ca 0.03 -1.14 -0.18 0.00 0.00 0.00 0.00 60.65 59.37 1h72 s ILE 164 Cb -0.12 -1.71 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 1h72 s ILE 164 CO 0.02 -0.09 1.18 -2.16 0.00 0.00 0.00 174.94 173.88 1h72 s PRO 165 N 1.44 2.90 -0.45 2.79 0.04 -1.26 -1.81 135.00 138.65 1h72 s PRO 165 Ca -0.05 1.70 -0.08 0.00 0.04 0.00 0.00 61.00 62.61 1h72 s PRO 165 Cb -0.18 -1.93 0.11 0.00 0.04 0.00 0.00 34.50 32.53 1h72 s PRO 165 CO -0.06 -1.23 0.30 0.42 0.04 0.00 0.00 177.00 176.46 1h72 s ILE 166 N -1.81 3.97 -0.27 0.56 -1.09 -1.26 -4.85 121.20 116.44 1h72 s ILE 166 Ca 0.74 -1.82 0.12 0.00 -2.23 0.00 0.00 60.65 57.47 1h72 s ILE 166 Cb -0.27 -3.62 0.80 0.00 -1.58 0.00 0.00 42.46 37.79 1h72 s ILE 166 CO 0.35 -0.73 1.78 -0.90 -1.23 0.00 0.00 174.94 174.21 1h72 n ASP 167 N 4.83 5.46 -4.39 3.58 5.75 -1.26 -4.91 116.55 125.61 1h72 n ASP 167 Ca -0.07 -3.05 -0.20 0.00 -0.01 0.00 0.00 54.79 51.47 1h72 n ASP 167 Cb 0.41 -0.71 -0.10 0.00 -1.03 0.00 0.00 41.12 39.68 1h72 n ASP 167 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 1h72 s PHE 168 N -2.86 1.81 0.06 2.11 -0.12 -1.26 -5.10 117.98 112.61 1h72 s PHE 168 Ca 0.55 -0.73 -0.31 0.00 -0.05 0.00 0.00 56.93 56.40 1h72 s PHE 168 Cb 0.43 -1.01 -0.06 0.00 -0.63 0.00 0.00 43.02 41.76 1h72 s PHE 168 CO 0.15 0.22 1.20 -1.59 -0.05 0.00 0.00 175.22 175.15 1h72 s LYS 169 N -3.75 4.43 -0.33 1.99 0.00 -1.26 -4.98 119.74 115.84 1h72 s LYS 169 Ca 0.28 1.77 -0.01 0.00 0.00 0.00 0.00 55.97 58.01 1h72 s LYS 169 Cb 0.03 -3.35 0.12 0.00 0.00 0.00 0.00 37.83 34.63 1h72 s LYS 169 CO 0.10 -0.26 0.17 -1.17 0.00 0.00 0.00 175.35 174.18 1h72 s LEU 170 N 1.09 1.30 0.28 2.77 2.96 -1.26 -5.10 118.68 120.72 1h72 s LEU 170 Ca 0.59 -1.84 -0.29 0.00 -0.22 0.00 0.00 54.13 52.36 1h72 s LEU 170 Cb -0.29 -0.55 -0.10 0.00 0.50 0.00 0.00 46.19 45.75 1h72 s LEU 170 CO 0.29 -0.37 1.24 -1.81 -1.32 0.00 0.00 176.35 174.38 1h72 s ASP 171 N 1.42 6.97 -0.02 3.68 1.01 -1.26 -3.91 116.67 124.55 1h72 s ASP 171 Ca 0.13 2.48 0.04 0.00 0.71 0.00 0.00 52.55 55.92 1h72 s ASP 171 Cb -0.20 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.09 1h72 s ASP 171 CO -0.17 -0.40 -0.15 -0.63 0.21 0.00 0.00 175.17 174.03 1h72 s ILE 172 N -0.87 1.24 -0.04 0.77 1.01 -0.14 -3.99 121.20 119.18 1h72 s ILE 172 Ca 0.49 -0.64 0.06 0.00 0.00 0.00 0.00 60.65 60.56 1h72 s ILE 172 Cb -0.36 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 1h72 s ILE 172 CO 0.46 0.35 -0.24 -0.76 0.00 0.00 0.00 174.94 174.75 1h72 s LEU 173 N -0.18 2.15 -0.08 2.97 1.43 0.26 -0.22 118.68 125.00 1h72 s LEU 173 Ca 0.02 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 1h72 s LEU 173 Cb -0.08 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.77 1h72 s LEU 173 CO 0.00 0.28 -0.14 -0.63 0.23 0.00 0.00 176.35 176.09 1h72 s ILE 174 N -0.39 1.34 -0.17 -0.59 -1.09 -0.10 -0.94 121.20 119.27 1h72 s ILE 174 Ca 0.03 -0.58 -0.05 0.00 -2.23 0.00 0.00 60.65 57.82 1h72 s ILE 174 Cb -0.12 -1.22 -0.03 0.00 -1.58 0.00 0.00 42.46 39.51 1h72 s ILE 174 CO 0.02 0.40 0.01 0.00 -1.23 0.00 0.00 174.94 174.14 1h72 s ALA 175 N 0.74 3.16 -0.41 9.38 0.00 -0.69 -0.29 121.76 133.66 1h72 s ALA 175 Ca -0.12 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.02 1h72 s ALA 175 Cb -0.16 -1.74 0.11 0.00 0.00 0.00 0.00 23.12 21.34 1h72 s ALA 175 CO 0.03 0.13 0.16 0.42 0.00 0.00 0.00 175.76 176.50 1h72 s ILE 176 N 0.49 2.79 0.74 0.00 1.01 0.10 -1.39 121.20 124.94 1h72 s ILE 176 Ca -0.00 -2.40 -0.15 0.00 0.00 0.00 0.00 60.65 58.10 1h72 s ILE 176 Cb -0.14 -2.96 0.04 0.00 0.01 0.00 0.00 42.46 39.42 1h72 s ILE 176 CO 0.02 -0.68 1.22 -2.84 0.00 0.00 0.00 174.94 172.66 1h72 s PRO 177 N 0.78 2.04 0.30 2.79 0.02 -1.26 -4.48 135.00 135.20 1h72 s PRO 177 Ca 0.11 1.81 0.26 0.00 0.02 0.00 0.00 61.00 63.20 1h72 s PRO 177 Cb -0.21 -1.82 0.88 0.00 0.02 0.00 0.00 34.50 33.37 1h72 s PRO 177 CO -0.05 -1.92 1.76 -0.91 -0.33 0.00 0.00 177.00 175.55 1h72 h ASN 178 N -0.34 0.00 -4.45 2.53 2.35 -1.98 -3.45 115.58 110.23 1h72 h ASN 178 Ca -0.48 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 54.79 1h72 h ASN 178 Cb 1.30 0.00 0.10 0.00 0.05 0.00 0.00 38.32 39.77 1h72 h ASN 178 CO 0.49 0.00 0.38 0.27 -1.65 0.00 0.00 177.43 176.92 1h72 s ILE 179 N -3.26 2.65 0.24 2.81 -4.36 -1.26 -5.07 121.20 112.94 1h72 s ILE 179 Ca 0.07 0.21 0.09 0.00 -0.26 0.00 0.00 60.65 60.76 1h72 s ILE 179 Cb 0.10 -3.12 -0.05 0.00 1.25 0.00 0.00 42.46 40.64 1h72 s ILE 179 CO 0.53 -0.27 -0.17 -0.94 0.24 0.00 0.00 174.94 174.33 1h72 s SER 180 N -4.30 2.99 -0.06 4.36 1.04 -1.26 -4.76 113.70 111.71 1h72 s SER 180 Ca 0.61 -1.03 0.01 0.00 0.48 0.00 0.00 55.95 56.02 1h72 s SER 180 Cb -0.12 -0.20 0.02 0.00 0.10 0.00 0.00 66.02 65.82 1h72 s SER 180 CO 0.52 -0.09 -0.06 -0.63 0.98 0.00 0.00 173.24 173.95 1h72 s ILE 181 N -2.79 0.72 -0.20 -1.02 1.01 -0.18 -4.91 121.20 113.83 1h72 s ILE 181 Ca 0.26 -0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.40 1h72 s ILE 181 Cb -0.02 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.73 1h72 s ILE 181 CO 0.10 0.27 1.06 0.21 0.00 0.00 0.00 174.94 176.59 1h72 s ASN 182 N 0.98 7.10 0.23 3.58 3.84 -1.26 -4.53 114.94 124.89 1h72 s ASN 182 Ca -0.10 1.44 -0.07 0.00 0.21 0.00 0.00 52.86 54.35 1h72 s ASN 182 Cb -0.14 -2.54 0.30 0.00 -0.55 0.00 0.00 41.25 38.31 1h72 s ASN 182 CO 0.00 -0.64 1.85 0.74 -2.79 0.00 0.00 177.10 176.25 1h72 h THR 183 N 5.39 1.04 -0.67 -5.21 2.02 -1.92 -0.82 112.91 112.74 1h72 h THR 183 Ca -0.22 -0.32 0.09 0.00 0.77 0.00 0.00 66.41 66.73 1h72 h THR 183 Cb 1.08 0.04 -0.07 0.00 -1.74 0.00 0.00 68.15 67.46 1h72 h THR 183 CO 0.96 0.17 0.32 0.11 0.37 0.00 0.00 175.52 177.45 1h72 h LYS 184 N 0.92 0.55 -0.41 6.66 1.57 -1.90 -0.22 116.57 123.74 1h72 h LYS 184 Ca 0.35 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.95 1h72 h LYS 184 Cb 0.14 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1h72 h LYS 184 CO -0.16 0.36 -0.30 0.93 -0.57 0.00 0.00 179.45 179.71 1h72 h GLU 185 N 0.56 0.92 -0.08 3.15 5.08 -1.80 -1.62 114.58 120.79 1h72 h GLU 185 Ca 0.33 -0.45 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1h72 h GLU 185 Cb 0.34 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1h72 h GLU 185 CO -0.26 1.11 0.06 0.00 -1.00 0.00 0.00 179.01 178.92 1h72 h ALA 186 N 0.80 1.98 0.06 3.43 0.00 -0.14 -1.89 119.26 123.50 1h72 h ALA 186 Ca 0.08 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.71 1h72 h ALA 186 Cb 0.89 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1h72 h ALA 186 CO 0.08 -0.10 -1.38 0.00 0.00 0.00 0.00 179.25 177.84 1h72 h ARG 187 N 0.00 0.13 -0.14 0.00 3.08 -0.70 -3.34 114.38 113.41 1h72 h ARG 187 Ca 0.04 -0.23 -0.08 0.00 0.07 0.00 0.00 59.98 59.77 1h72 h ARG 187 Cb 0.16 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1h72 h ARG 187 CO -0.00 0.98 -0.29 0.93 -1.07 0.00 0.00 179.97 180.52 1h72 h GLU 188 N 0.04 0.26 0.00 0.04 5.08 -0.51 -1.81 114.58 117.68 1h72 h GLU 188 Ca -0.17 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1h72 h GLU 188 Cb 1.94 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.17 1h72 h GLU 188 CO 0.14 0.54 0.00 0.44 -1.00 0.00 0.00 179.01 179.13 1h72 n ILE 189 N -4.12 0.14 -2.40 3.13 -5.35 -0.97 -4.82 119.36 104.97 1h72 n ILE 189 Ca -0.01 0.03 -0.33 0.00 -0.27 0.00 0.00 62.75 62.17 1h72 n ILE 189 Cb 0.39 -0.63 -0.03 0.00 -1.74 0.00 0.00 39.64 37.63 1h72 n ILE 189 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1h72 s LEU 190 N -2.34 3.71 0.52 7.28 1.43 -0.68 -5.00 118.68 123.59 1h72 s LEU 190 Ca 0.29 1.79 -0.22 0.00 -1.03 0.00 0.00 54.13 54.96 1h72 s LEU 190 Cb 0.17 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.78 1h72 s LEU 190 CO 0.34 -0.81 1.20 -2.65 0.23 0.00 0.00 176.35 174.66 1h72 n PRO 191 N -1.38 1.50 0.12 1.29 -0.02 -1.26 -4.89 135.00 130.36 1h72 n PRO 191 Ca 0.08 0.55 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 1h72 n PRO 191 Cb 0.53 -2.36 0.18 0.00 -0.02 0.00 0.00 33.50 31.83 1h72 n PRO 191 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1h72 h LYS 192 N 1.35 0.00 -3.48 -0.52 1.79 -1.94 -3.46 116.57 110.32 1h72 h LYS 192 Ca -0.49 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 57.86 1h72 h LYS 192 Cb 1.32 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.79 1h72 h LYS 192 CO 0.56 0.00 -0.40 0.00 -1.08 0.00 0.00 179.45 178.53 1h72 s ALA 193 N -3.21 -0.41 0.12 3.86 0.00 -1.26 -5.16 121.76 115.70 1h72 s ALA 193 Ca 0.06 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 51.93 1h72 s ALA 193 Cb 0.10 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1h72 s ALA 193 CO 0.70 -0.31 -0.19 0.14 0.00 0.00 0.00 175.76 176.10 1h72 s VAL 194 N -2.11 1.64 0.53 0.00 -7.23 -1.26 -5.13 120.40 106.85 1h72 s VAL 194 Ca -0.09 -1.65 -0.20 0.00 -1.81 0.00 0.00 61.98 58.24 1h72 s VAL 194 Cb -0.03 -1.59 -0.06 0.00 0.56 0.00 0.00 36.38 35.26 1h72 s VAL 194 CO -0.01 -0.19 1.12 -0.83 -0.31 0.00 0.00 175.10 174.88 1h72 s GLY 195 N -2.17 2.63 0.35 2.32 0.00 -1.26 -4.85 107.32 104.34 1h72 s GLY 195 Ca 0.08 0.81 0.14 0.00 0.00 0.00 0.00 44.72 45.75 1h72 s GLY 195 CO 0.05 1.17 1.72 1.41 0.00 0.00 0.00 173.10 177.45 1h72 h LEU 196 N 1.27 0.57 -1.52 0.66 3.38 -2.00 0.30 115.31 117.97 1h72 h LEU 196 Ca -0.50 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1h72 h LEU 196 Cb 1.26 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.04 1h72 h LEU 196 CO 0.57 0.04 0.12 0.50 0.09 0.00 0.00 178.44 179.76 1h72 h LYS 197 N 0.46 0.44 0.02 1.13 3.64 -1.99 -0.79 116.57 119.48 1h72 h LYS 197 Ca 0.66 -0.05 -0.23 0.00 -1.27 0.00 0.00 60.65 59.76 1h72 h LYS 197 Cb 1.45 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1h72 h LYS 197 CO -0.45 0.37 -0.98 -0.44 -2.27 0.00 0.00 179.45 175.68 1h72 h ASP 198 N 0.44 0.46 -0.02 4.20 3.32 -0.79 -0.87 116.42 123.16 1h72 h ASP 198 Ca 0.11 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.78 1h72 h ASP 198 Cb 0.10 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1h72 h ASP 198 CO -0.01 1.21 -0.07 0.25 -1.72 0.00 0.00 179.24 178.90 1h72 h LEU 199 N 0.18 -0.21 -0.55 1.55 5.85 -0.65 0.94 115.31 122.42 1h72 h LEU 199 Ca -0.08 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1h72 h LEU 199 Cb 1.64 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.73 1h72 h LEU 199 CO 0.16 -0.10 0.24 0.58 -0.34 0.00 0.00 178.44 178.98 1h72 h VAL 200 N -0.12 1.21 0.09 1.05 2.07 -1.14 -1.04 116.25 118.38 1h72 h VAL 200 Ca 0.03 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1h72 h VAL 200 Cb 0.16 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1h72 h VAL 200 CO -0.09 0.25 -0.04 -1.13 0.02 0.00 0.00 177.57 176.58 1h72 h ASN 201 N 0.74 -0.10 -0.25 0.57 -1.24 -0.82 -1.33 115.58 113.15 1h72 h ASN 201 Ca 0.19 -0.08 -0.11 0.00 0.71 0.00 0.00 56.30 57.00 1h72 h ASN 201 Cb 0.16 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.22 1h72 h ASN 201 CO -0.02 0.02 -0.22 0.78 -1.29 0.00 0.00 177.43 176.70 1h72 h ASN 202 N -0.22 0.73 -0.13 1.15 4.21 -0.74 0.20 115.58 120.78 1h72 h ASN 202 Ca -0.01 -0.26 -0.01 0.00 1.21 0.00 0.00 56.30 57.23 1h72 h ASN 202 Cb 0.18 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.18 1h72 h ASN 202 CO 0.02 0.93 0.05 0.58 -1.29 0.00 0.00 177.43 177.72 1h72 h VAL 203 N 0.63 1.16 -0.47 2.81 2.07 -1.16 -0.03 116.25 121.26 1h72 h VAL 203 Ca 0.09 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1h72 h VAL 203 Cb 0.71 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1h72 h VAL 203 CO 0.05 0.14 0.21 1.23 0.02 0.00 0.00 177.57 179.23 1h72 h GLY 204 N 0.05 0.73 1.24 2.17 0.00 -0.96 -0.47 103.07 105.83 1h72 h GLY 204 Ca 0.04 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 1h72 h GLY 204 CO -0.00 0.35 -0.30 0.50 0.00 0.00 0.00 176.54 177.09 1h72 h LYS 205 N 0.61 0.86 -0.31 4.80 1.79 -0.90 0.37 116.57 123.79 1h72 h LYS 205 Ca 0.16 -0.40 -0.08 0.00 -2.18 0.00 0.00 60.65 58.15 1h72 h LYS 205 Cb 0.14 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1h72 h LYS 205 CO -0.02 1.04 -0.11 0.00 -1.08 0.00 0.00 179.45 179.28 1h72 h ALA 206 N 0.93 0.43 -0.50 3.86 0.00 -0.90 -0.35 119.26 122.73 1h72 h ALA 206 Ca 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1h72 h ALA 206 Cb 0.85 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1h72 h ALA 206 CO 0.08 0.29 0.23 0.00 0.00 0.00 0.00 179.25 179.85 1h72 h GLY 208 N 0.82 0.67 1.37 0.00 0.00 -0.39 -1.11 103.07 104.42 1h72 h GLY 208 Ca 0.18 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 1h72 h GLY 208 CO -0.02 0.38 -0.05 -0.33 0.00 0.00 0.00 176.54 176.52 1h72 h MET 209 N 0.59 0.76 -0.24 4.80 2.86 0.27 0.33 114.93 124.30 1h72 h MET 209 Ca 0.12 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 1h72 h MET 209 Cb 0.37 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 1h72 h MET 209 CO 0.01 0.80 0.00 0.28 1.06 0.00 0.00 176.91 179.07 1h72 h VAL 210 N 0.70 1.25 -0.89 -2.22 2.07 -0.75 -0.93 116.25 115.48 1h72 h VAL 210 Ca 0.13 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.82 1h72 h VAL 210 Cb 0.50 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.57 1h72 h VAL 210 CO 0.03 0.28 0.57 0.22 0.02 0.00 0.00 177.57 178.68 1h72 h TYR 211 N 0.20 1.05 -0.89 1.57 3.20 -0.91 -2.02 116.97 119.17 1h72 h TYR 211 Ca 0.07 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1h72 h TYR 211 Cb 0.40 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1h72 h TYR 211 CO 0.03 0.56 0.52 0.00 -1.64 0.00 0.00 178.16 177.64 1h72 h ALA 212 N 1.40 1.14 -0.43 1.82 0.00 0.25 -1.16 119.26 122.28 1h72 h ALA 212 Ca 0.38 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1h72 h ALA 212 Cb 0.11 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1h72 h ALA 212 CO -0.15 0.61 0.05 -0.07 0.00 0.00 0.00 179.25 179.69 1h72 h LEU 213 N 1.23 0.70 -1.91 0.00 3.38 -0.50 0.25 115.31 118.47 1h72 h LEU 213 Ca 0.32 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1h72 h LEU 213 Cb -0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1h72 h LEU 213 CO -0.06 0.80 -0.11 1.88 0.09 0.00 0.00 178.44 181.04 1h72 h TYR 214 N 0.58 0.00 -0.65 1.13 -1.99 -1.07 -1.55 116.97 113.43 1h72 h TYR 214 Ca 0.13 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.86 1h72 h TYR 214 Cb 0.41 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.14 1h72 h TYR 214 CO 0.03 0.11 0.00 0.09 -0.00 0.00 0.00 178.16 178.39 1h72 n ASN 215 N -3.58 3.80 -4.09 3.88 3.02 -0.47 -4.97 115.26 112.85 1h72 n ASN 215 Ca -0.02 -2.00 -0.33 0.00 -0.03 0.00 0.00 54.58 52.21 1h72 n ASN 215 Cb 0.24 -0.43 -0.01 0.00 -0.61 0.00 0.00 39.78 38.97 1h72 n ASN 215 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1h72 n LYS 216 N 1.54 -3.96 -3.46 3.52 5.02 0.57 -4.91 118.16 116.48 1h72 n LYS 216 Ca 0.23 0.45 -0.43 0.00 -2.02 0.00 0.00 58.31 56.53 1h72 n LYS 216 Cb 0.60 -5.17 -0.05 0.00 -0.02 0.00 0.00 35.03 30.39 1h72 n LYS 216 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1h72 s ASP 217 N -3.43 6.14 0.27 4.39 -1.08 0.47 -4.90 116.67 118.52 1h72 s ASP 217 Ca 0.63 -2.46 -0.02 0.00 -0.52 0.00 0.00 52.55 50.18 1h72 s ASP 217 Cb -0.34 -2.09 0.36 0.00 -1.46 0.00 0.00 42.92 39.40 1h72 s ASP 217 CO 0.89 -0.59 1.81 0.11 0.52 0.00 0.00 175.17 177.91 1h72 h LYS 218 N 7.89 0.86 -0.21 4.34 1.57 -1.91 -1.12 116.57 128.00 1h72 h LYS 218 Ca -0.04 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 1h72 h LYS 218 Cb 1.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1h72 h LYS 218 CO 0.80 0.78 0.11 0.77 -0.57 0.00 0.00 179.45 181.34 1h72 h SER 219 N 0.83 0.26 -0.31 0.86 0.02 -1.90 0.89 113.55 114.19 1h72 h SER 219 Ca 0.18 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1h72 h SER 219 Cb 0.31 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1h72 h SER 219 CO 0.00 0.29 0.06 0.25 -1.14 0.00 0.00 176.83 176.28 1h72 h LEU 220 N 0.22 0.49 0.03 5.07 5.85 -1.88 -0.90 115.31 124.19 1h72 h LEU 220 Ca 0.07 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1h72 h LEU 220 Cb 0.09 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1h72 h LEU 220 CO -0.01 0.62 -0.18 0.15 -0.34 0.00 0.00 178.44 178.68 1h72 h PHE 221 N 0.34 -0.46 -0.58 1.25 3.57 -1.02 -1.07 116.94 118.97 1h72 h PHE 221 Ca 0.10 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 1h72 h PHE 221 Cb 0.33 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1h72 h PHE 221 CO 0.02 -0.26 0.04 0.78 -2.23 0.00 0.00 178.31 176.66 1h72 h GLY 222 N -0.31 1.06 0.94 2.40 0.00 -0.77 -1.43 103.07 104.95 1h72 h GLY 222 Ca 0.05 -0.72 -0.09 0.00 0.00 0.00 0.00 47.33 46.57 1h72 h GLY 222 CO -0.15 0.67 -0.13 -0.09 0.00 0.00 0.00 176.54 176.84 1h72 h ARG 223 N 0.91 0.67 -0.29 4.80 2.43 -0.93 -2.77 114.38 119.19 1h72 h ARG 223 Ca 0.17 -0.28 -0.11 0.00 -0.81 0.00 0.00 59.98 58.96 1h72 h ARG 223 Cb 0.48 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1h72 h ARG 223 CO 0.02 0.87 -0.26 1.88 -1.51 0.00 0.00 179.97 180.97 1h72 h TYR 224 N 0.45 0.65 -0.65 2.20 0.99 -1.15 -2.35 116.97 117.11 1h72 h TYR 224 Ca 0.08 -0.15 0.12 0.00 2.00 0.00 0.00 58.73 60.79 1h72 h TYR 224 Cb 0.65 -0.16 -0.04 0.00 1.00 0.00 0.00 36.73 38.19 1h72 h TYR 224 CO 0.06 0.78 0.44 1.98 -0.00 0.00 0.00 178.16 181.42 1h72 h MET 225 N 0.50 0.35 -0.40 4.88 4.05 -1.07 -1.22 114.93 122.01 1h72 h MET 225 Ca 0.07 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1h72 h MET 225 Cb 0.71 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.43 1h72 h MET 225 CO 0.05 0.23 0.00 -1.33 0.23 0.00 0.00 176.91 176.10 1h72 n MET 226 N -4.46 1.86 -0.22 0.39 2.81 -0.88 -3.82 117.12 112.79 1h72 n MET 226 Ca 0.12 -1.10 0.10 0.00 -1.81 0.00 0.00 57.70 55.01 1h72 n MET 226 Cb 0.46 -1.35 0.27 0.00 -0.71 0.00 0.00 33.22 31.89 1h72 n MET 226 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1h72 n SER 227 N 0.34 2.97 -4.72 7.83 7.64 -0.46 -4.93 113.62 122.29 1h72 n SER 227 Ca 0.10 -1.95 -0.42 0.00 1.01 0.00 0.00 58.87 57.62 1h72 n SER 227 Cb 0.33 -0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.20 1h72 n SER 227 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1h72 s ASP 228 N -1.26 7.23 0.00 6.43 2.15 -1.26 -4.89 116.67 125.07 1h72 s ASP 228 Ca 0.38 1.89 0.04 0.00 0.43 0.00 0.00 52.55 55.29 1h72 s ASP 228 Cb 0.21 -2.58 0.08 0.00 -0.30 0.00 0.00 42.92 40.32 1h72 s ASP 228 CO 0.28 -0.34 0.85 0.29 -0.17 0.00 0.00 175.17 176.09 1h72 n LYS 229 N 3.64 1.15 -0.13 4.34 5.02 -1.26 -4.45 118.16 126.46 1h72 n LYS 229 Ca 0.07 -1.21 -0.27 0.00 -2.02 0.00 0.00 58.31 54.88 1h72 n LYS 229 Cb 0.48 -1.10 -0.10 0.00 -0.02 0.00 0.00 35.03 34.29 1h72 n LYS 229 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1h72 n VAL 230 N 0.10 1.53 -0.11 -0.18 0.31 -1.26 -4.66 118.33 114.05 1h72 n VAL 230 Ca 0.04 -0.28 -0.23 0.00 -0.01 0.00 0.00 64.34 63.85 1h72 n VAL 230 Cb 0.21 -1.94 -0.08 0.00 -0.91 0.00 0.00 33.84 31.12 1h72 n VAL 230 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1h72 n ILE 231 N -4.30 1.22 -0.33 2.52 -0.00 -1.26 -4.53 119.36 112.68 1h72 n ILE 231 Ca -0.48 -0.33 0.00 0.00 -0.00 0.00 0.00 62.75 61.94 1h72 n ILE 231 Cb 0.82 -1.73 0.14 0.00 -0.00 0.00 0.00 39.64 38.87 1h72 n ILE 231 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.55 176.47 1h72 h GLU 232 N -0.69 1.05 0.00 0.38 4.22 -1.89 -1.09 114.58 116.55 1h72 h GLU 232 Ca -0.55 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 58.80 1h72 h GLU 232 Cb 1.53 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1h72 h GLU 232 CO -0.31 0.70 -0.12 -1.35 -2.18 0.00 0.00 179.01 175.75 1h72 h PRO 233 N 1.08 0.00 0.11 0.92 0.11 -1.83 0.29 132.00 132.69 1h72 h PRO 233 Ca 0.38 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.48 1h72 h PRO 233 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1h72 h PRO 233 CO -0.15 0.12 -0.05 0.28 -0.21 0.00 0.00 178.00 177.98 1h72 h VAL 234 N 0.00 0.43 -0.09 3.15 2.07 -1.46 -3.31 116.25 117.03 1h72 h VAL 234 Ca -0.00 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 1h72 h VAL 234 Cb 0.34 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1h72 h VAL 234 CO 0.02 0.13 -0.10 0.03 0.02 0.00 0.00 177.57 177.67 1h72 h ARG 235 N -1.00 0.13 -0.23 1.57 -0.00 -1.35 -2.76 114.38 110.73 1h72 h ARG 235 Ca -0.02 -0.02 0.05 0.00 -0.50 0.00 0.00 59.98 59.49 1h72 h ARG 235 Cb 0.33 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.27 1h72 h ARG 235 CO 0.03 0.24 0.16 0.78 0.00 0.00 0.00 179.97 181.18 1h72 h GLY 236 N 0.53 0.11 1.63 0.04 0.00 -1.03 -0.95 103.07 103.41 1h72 h GLY 236 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1h72 h GLY 236 CO 0.01 0.03 0.00 0.28 0.00 0.00 0.00 176.54 176.87 1h72 n LYS 237 N -4.49 0.17 0.00 4.80 5.02 -1.04 -2.09 118.16 120.54 1h72 n LYS 237 Ca 0.02 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.59 1h72 n LYS 237 Cb 0.24 -1.50 0.17 0.00 -0.02 0.00 0.00 35.03 33.92 1h72 n LYS 237 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1h72 n LEU 238 N -1.32 0.70 -4.30 -0.35 4.77 -0.36 -4.84 117.00 111.30 1h72 n LEU 238 Ca 0.06 -0.16 -0.38 0.00 -0.03 0.00 0.00 56.01 55.51 1h72 n LEU 238 Cb 0.12 -0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 40.91 1h72 n LEU 238 CO 0.11 0.17 -0.26 -0.63 -1.33 0.00 0.00 177.39 175.45 1h72 s ILE 239 N -2.95 3.86 0.12 -0.08 1.01 -0.89 -5.03 121.20 117.24 1h72 s ILE 239 Ca 0.12 -0.98 -0.35 0.00 0.00 0.00 0.00 60.65 59.43 1h72 s ILE 239 Cb 0.17 -3.12 -0.15 0.00 0.01 0.00 0.00 42.46 39.37 1h72 s ILE 239 CO 0.72 -0.09 1.45 -2.65 0.00 0.00 0.00 174.94 174.37 1h72 n PRO 240 N 4.83 1.58 -0.86 2.79 -0.02 -1.26 -1.46 135.00 140.61 1h72 n PRO 240 Ca -0.13 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1h72 n PRO 240 Cb 0.46 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1h72 n PRO 240 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1h72 n ASN 241 N 2.94 -3.12 -0.09 2.55 3.02 -1.26 -4.89 115.26 114.41 1h72 n ASN 241 Ca 0.18 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.67 1h72 n ASN 241 Cb 0.23 -2.33 0.01 0.00 -0.61 0.00 0.00 39.78 37.08 1h72 n ASN 241 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1h72 h TYR 242 N 0.00 0.07 -0.12 3.10 3.20 -1.54 0.15 116.97 121.83 1h72 h TYR 242 Ca 0.00 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.76 1h72 h TYR 242 Cb 0.44 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 1h72 h TYR 242 CO 0.27 -0.00 -0.48 0.74 -1.64 0.00 0.00 178.16 177.05 1h72 h PHE 243 N 0.16 0.38 -0.57 -3.82 -1.00 -1.85 -1.70 116.94 108.54 1h72 h PHE 243 Ca 0.16 -0.12 -0.06 0.00 2.81 0.00 0.00 57.97 60.76 1h72 h PHE 243 Cb 0.19 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.65 1h72 h PHE 243 CO -0.20 0.74 0.12 -0.22 -1.61 0.00 0.00 178.31 177.14 1h72 h LYS 244 N 0.25 0.92 -0.43 1.51 3.64 -1.83 -2.13 116.57 118.50 1h72 h LYS 244 Ca 0.01 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.15 1h72 h LYS 244 Cb 0.94 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 1h72 h LYS 244 CO 0.08 0.87 0.24 0.82 -2.27 0.00 0.00 179.45 179.19 1h72 h ILE 245 N 0.82 1.16 -0.71 2.00 2.04 -0.38 -0.88 117.51 121.55 1h72 h ILE 245 Ca 0.18 -0.40 0.09 0.00 1.00 0.00 0.00 64.86 65.72 1h72 h ILE 245 Cb 0.37 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 1h72 h ILE 245 CO 0.01 0.16 0.37 0.11 0.00 0.00 0.00 178.15 178.80 1h72 h LYS 246 N 0.57 0.62 -0.40 2.37 1.57 -1.07 -1.35 116.57 118.87 1h72 h LYS 246 Ca 0.15 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 1h72 h LYS 246 Cb 0.05 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1h72 h LYS 246 CO -0.02 0.41 -0.34 1.49 -0.57 0.00 0.00 179.45 180.41 1h72 h GLU 247 N 0.64 0.94 -0.04 3.15 4.57 -1.05 -1.87 114.58 120.91 1h72 h GLU 247 Ca 0.35 -0.47 -0.06 0.00 -1.18 0.00 0.00 59.36 58.00 1h72 h GLU 247 Cb 0.34 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1h72 h GLU 247 CO -0.25 1.13 -0.25 1.49 -1.18 0.00 0.00 179.01 179.95 1h72 h GLU 248 N 0.78 0.07 -0.41 1.92 4.81 -0.50 -2.65 114.58 118.60 1h72 h GLU 248 Ca 0.07 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1h72 h GLU 248 Cb 0.93 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1h72 h GLU 248 CO 0.09 0.32 0.00 1.33 -0.73 0.00 0.00 179.01 180.01 1h72 n VAL 249 N -4.22 0.64 -0.23 0.32 0.24 -0.57 -4.80 118.33 109.71 1h72 n VAL 249 Ca -0.02 -0.82 -0.04 0.00 -2.04 0.00 0.00 64.34 61.43 1h72 n VAL 249 Cb 0.32 0.83 -0.02 0.00 -1.47 0.00 0.00 33.84 33.50 1h72 n VAL 249 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1h72 n LYS 250 N 1.27 -0.20 -0.35 7.34 4.81 -0.71 -0.40 118.16 129.92 1h72 n LYS 250 Ca 0.18 0.87 0.12 0.00 -0.87 0.00 0.00 58.31 58.61 1h72 n LYS 250 Cb 0.55 -1.29 0.31 0.00 0.02 0.00 0.00 35.03 34.62 1h72 n LYS 250 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1h72 n ASP 251 N -4.78 3.92 -0.83 3.14 8.00 -1.26 -4.10 116.55 120.64 1h72 n ASP 251 Ca 0.03 -2.00 0.10 0.00 0.71 0.00 0.00 54.79 53.63 1h72 n ASP 251 Cb 0.19 -0.46 0.12 0.00 -0.02 0.00 0.00 41.12 40.94 1h72 n ASP 251 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1h72 n LYS 252 N 1.65 1.89 -4.21 -1.24 5.02 0.46 -4.96 118.16 116.78 1h72 n LYS 252 Ca 0.24 -1.81 -0.16 0.00 -2.02 0.00 0.00 58.31 54.56 1h72 n LYS 252 Cb 0.62 -1.39 -0.11 0.00 -0.02 0.00 0.00 35.03 34.14 1h72 n LYS 252 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1h72 s VAL 253 N -1.48 1.15 0.21 -0.18 -7.23 -1.13 -1.01 120.40 110.75 1h72 s VAL 253 Ca 0.26 -1.67 0.06 0.00 -1.81 0.00 0.00 61.98 58.82 1h72 s VAL 253 Cb 0.17 -1.44 -0.09 0.00 0.56 0.00 0.00 36.38 35.58 1h72 s VAL 253 CO 0.25 -0.47 1.49 1.88 -0.31 0.00 0.00 175.10 177.94 1h72 h TYR 254 N 3.56 0.18 -1.52 2.82 -1.99 -0.65 -3.45 116.97 115.92 1h72 h TYR 254 Ca -0.39 -0.08 0.26 0.00 2.00 0.00 0.00 58.73 60.52 1h72 h TYR 254 Cb 1.19 -0.03 -0.17 0.00 2.00 0.00 0.00 36.73 39.72 1h72 h TYR 254 CO 0.64 0.81 0.80 0.20 -0.00 0.00 0.00 178.16 180.61 1h72 s GLY 255 N -4.46 -0.32 -0.16 3.88 0.00 -1.24 -3.03 107.32 102.00 1h72 s GLY 255 Ca -0.02 1.39 -0.14 0.00 0.00 0.00 0.00 44.72 45.95 1h72 s GLY 255 CO 0.80 0.44 0.42 -1.50 0.00 0.00 0.00 173.10 173.26 1h72 s ILE 256 N -2.46 -0.00 0.20 0.90 2.07 -1.26 -1.08 121.20 119.56 1h72 s ILE 256 Ca 0.10 0.01 -0.06 0.00 -1.41 0.00 0.00 60.65 59.30 1h72 s ILE 256 Cb 0.00 -0.59 0.02 0.00 0.13 0.00 0.00 42.46 42.02 1h72 s ILE 256 CO -0.05 0.01 0.37 1.07 -1.91 0.00 0.00 174.94 174.43 1h72 n THR 257 N 3.07 0.00 -2.87 4.00 5.66 0.16 -4.80 114.28 119.50 1h72 n THR 257 Ca -0.15 -0.65 -0.40 0.00 -3.05 0.00 0.00 64.05 59.80 1h72 n THR 257 Cb 0.57 0.54 -0.05 0.00 -1.55 0.00 0.00 70.33 69.84 1h72 n THR 257 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1h72 s ILE 258 N -2.56 4.52 -0.15 1.09 1.01 -1.26 -0.69 121.20 123.16 1h72 s ILE 258 Ca 0.10 1.84 -0.26 0.00 0.00 0.00 0.00 60.65 62.34 1h72 s ILE 258 Cb -0.02 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1h72 s ILE 258 CO 0.08 0.39 0.84 -0.55 0.00 0.00 0.00 174.94 175.70 1h72 s SER 259 N -0.35 7.01 1.00 3.58 0.15 0.09 -4.55 113.70 120.63 1h72 s SER 259 Ca 0.41 1.23 0.00 0.00 0.70 0.00 0.00 55.95 58.29 1h72 s SER 259 Cb -0.22 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1h72 s SER 259 CO 0.27 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1h72 n GLY 260 N 3.36 2.84 0.79 9.45 0.00 -0.37 -0.70 105.19 120.56 1h72 n GLY 260 Ca 0.04 -0.19 0.06 0.00 0.00 0.00 0.00 46.02 45.93 1h72 n GLY 260 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h72 n SER 261 N 1.87 2.27 0.00 1.61 3.41 -1.26 -4.88 113.62 116.64 1h72 n SER 261 Ca 0.00 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 1h72 n SER 261 Cb 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1h72 n SER 261 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h72 n GLY 262 N 1.00 -0.82 0.35 5.00 0.00 0.12 -4.91 105.19 105.93 1h72 n GLY 262 Ca 0.13 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.60 1h72 n GLY 262 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h72 n PRO 263 N -0.74 1.48 -1.91 1.61 -0.04 -1.18 -2.15 135.00 132.07 1h72 n PRO 263 Ca 0.00 -0.69 -0.36 0.00 -0.04 0.00 0.00 63.50 62.40 1h72 n PRO 263 Cb 0.00 -1.48 0.05 0.00 -0.04 0.00 0.00 33.50 32.03 1h72 n PRO 263 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1h72 s SER 264 N -1.97 4.98 -0.11 3.54 0.01 -0.52 -4.62 113.70 115.02 1h72 s SER 264 Ca 0.40 2.49 0.02 0.00 1.31 0.00 0.00 55.95 60.17 1h72 s SER 264 Cb 0.21 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.82 1h72 s SER 264 CO 0.34 -1.74 -0.17 -0.63 0.41 0.00 0.00 173.24 171.45 1h72 s ILE 265 N -1.51 2.73 -0.15 1.44 1.01 -0.49 -0.73 121.20 123.51 1h72 s ILE 265 Ca 0.79 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 60.64 1h72 s ILE 265 Cb -0.33 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 1h72 s ILE 265 CO 0.36 0.54 -0.12 -0.51 0.00 0.00 0.00 174.94 175.21 1h72 s ILE 266 N 0.18 3.06 0.07 2.92 2.07 0.13 -1.70 121.20 127.92 1h72 s ILE 266 Ca -0.10 -0.64 0.07 0.00 -1.41 0.00 0.00 60.65 58.57 1h72 s ILE 266 Cb -0.16 -2.30 -0.03 0.00 0.13 0.00 0.00 42.46 40.10 1h72 s ILE 266 CO 0.06 0.51 -0.20 0.00 -1.91 0.00 0.00 174.94 173.40 1h72 s ALA 267 N 0.59 1.69 -0.57 1.50 0.00 -0.11 -0.66 121.76 124.20 1h72 s ALA 267 Ca -0.07 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 50.78 1h72 s ALA 267 Cb -0.15 -0.28 0.15 0.00 0.00 0.00 0.00 23.12 22.83 1h72 s ALA 267 CO 0.03 0.35 0.36 -0.06 0.00 0.00 0.00 175.76 176.44 1h72 s PHE 268 N -0.96 3.36 0.46 0.00 0.40 -0.24 -0.57 117.98 120.42 1h72 s PHE 268 Ca 0.06 -2.87 -0.23 0.00 -0.60 0.00 0.00 56.93 53.30 1h72 s PHE 268 Cb -0.09 -3.07 -0.07 0.00 0.51 0.00 0.00 43.02 40.30 1h72 s PHE 268 CO 0.03 -0.82 1.17 -1.25 0.70 0.00 0.00 175.22 175.05 1h72 s PRO 269 N -0.05 3.74 0.47 0.24 0.04 -1.26 0.06 135.00 138.24 1h72 s PRO 269 Ca 0.16 1.79 -0.22 0.00 0.04 0.00 0.00 61.00 62.77 1h72 s PRO 269 Cb -0.22 -2.40 -0.07 0.00 0.04 0.00 0.00 34.50 31.84 1h72 s PRO 269 CO -0.03 -0.57 1.16 0.15 0.04 0.00 0.00 177.00 177.75 1h72 s LYS 270 N -2.70 3.71 0.39 4.56 1.02 -0.18 -4.69 119.74 121.85 1h72 s LYS 270 Ca 0.64 1.74 0.11 0.00 0.02 0.00 0.00 55.97 58.48 1h72 s LYS 270 Cb -0.29 -2.35 0.91 0.00 -0.52 0.00 0.00 37.83 35.59 1h72 s LYS 270 CO 0.35 -0.59 1.92 0.93 -0.92 0.00 0.00 175.35 177.05 1h72 h GLU 271 N 1.93 0.55 0.00 1.68 3.07 -1.95 -1.61 114.58 118.26 1h72 h GLU 271 Ca -0.49 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.26 1h72 h GLU 271 Cb 1.25 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.02 1h72 h GLU 271 CO 0.60 0.36 -0.33 1.49 -1.40 0.00 0.00 179.01 179.73 1h72 h GLU 272 N 0.57 0.00 -0.21 2.33 4.81 -1.93 -3.23 114.58 116.91 1h72 h GLU 272 Ca 0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1h72 h GLU 272 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1h72 h GLU 272 CO -0.13 0.33 0.00 1.19 -0.73 0.00 0.00 179.01 179.66 1h72 n PHE 273 N -3.79 0.49 -0.14 0.92 3.01 -0.64 -4.80 117.46 112.50 1h72 n PHE 273 Ca -0.01 -0.70 -0.03 0.00 1.01 0.00 0.00 57.45 57.71 1h72 n PHE 273 Cb 0.41 -0.15 0.05 0.00 -0.01 0.00 0.00 39.48 39.79 1h72 n PHE 273 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 1h72 h ILE 274 N 1.34 0.76 -0.67 4.37 2.10 -1.48 0.39 117.51 124.31 1h72 h ILE 274 Ca 0.00 -0.08 -0.08 0.00 1.08 0.00 0.00 64.86 65.78 1h72 h ILE 274 Cb 0.98 0.51 -0.03 0.00 -1.09 0.00 0.00 36.82 37.19 1h72 h ILE 274 CO 0.08 0.04 0.10 0.44 -1.08 0.00 0.00 178.15 177.73 1h72 h ASP 275 N 0.24 1.08 -0.37 2.19 3.32 -1.88 0.79 116.42 121.80 1h72 h ASP 275 Ca 0.22 -0.27 -0.07 0.00 0.02 0.00 0.00 57.03 56.94 1h72 h ASP 275 Cb 0.28 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1h72 h ASP 275 CO -0.29 1.07 -0.02 -0.08 -1.72 0.00 0.00 179.24 178.20 1h72 h GLU 276 N 1.05 0.66 -0.52 3.56 4.81 -1.75 0.11 114.58 122.49 1h72 h GLU 276 Ca 0.20 -0.22 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 1h72 h GLU 276 Cb 0.46 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1h72 h GLU 276 CO 0.02 0.79 0.04 0.28 -0.73 0.00 0.00 179.01 179.40 1h72 h VAL 277 N 0.47 1.24 -0.51 0.32 2.07 0.11 -0.99 116.25 118.97 1h72 h VAL 277 Ca 0.10 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1h72 h VAL 277 Cb 0.50 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1h72 h VAL 277 CO 0.02 0.35 0.20 -0.08 0.02 0.00 0.00 177.57 178.08 1h72 h GLU 278 N 0.80 0.77 -0.45 1.57 4.81 -0.46 -1.41 114.58 120.21 1h72 h GLU 278 Ca 0.16 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1h72 h GLU 278 Cb 0.42 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1h72 h GLU 278 CO 0.01 0.69 0.10 -0.91 -0.73 0.00 0.00 179.01 178.17 1h72 h ASN 279 N 0.69 0.64 -0.19 1.04 2.35 -0.33 0.51 115.58 120.29 1h72 h ASN 279 Ca 0.17 -0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 1h72 h ASN 279 Cb 0.21 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1h72 h ASN 279 CO -0.01 0.64 0.01 0.40 -1.65 0.00 0.00 177.43 176.82 1h72 h ILE 280 N 0.67 1.25 -0.68 2.81 2.04 -0.80 -1.36 117.51 121.43 1h72 h ILE 280 Ca 0.15 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1h72 h ILE 280 Cb 0.27 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1h72 h ILE 280 CO -0.00 0.25 0.39 -0.07 0.00 0.00 0.00 178.15 178.73 1h72 h LEU 281 N 0.09 0.84 -1.42 1.44 3.38 -0.89 -2.65 115.31 116.10 1h72 h LEU 281 Ca 0.05 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1h72 h LEU 281 Cb 0.37 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1h72 h LEU 281 CO 0.01 0.67 -0.29 -0.09 0.09 0.00 0.00 178.44 178.83 1h72 h ARG 282 N 0.93 0.00 -0.11 1.13 2.43 -0.76 0.32 114.38 118.33 1h72 h ARG 282 Ca 0.24 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1h72 h ARG 282 Cb 0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1h72 h ARG 282 CO -0.04 0.29 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.18 1h72 h ASP 283 N 0.00 0.16 0.22 -3.80 5.19 -0.88 -2.96 116.42 114.35 1h72 h ASP 283 Ca -0.00 -0.02 -0.35 0.00 -0.62 0.00 0.00 57.03 56.04 1h72 h ASP 283 Cb 0.53 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.97 1h72 h ASP 283 CO 0.04 0.27 -1.96 -1.22 -3.12 0.00 0.00 179.24 173.25 1h72 n TYR 284 N -4.34 1.05 -3.68 4.55 4.02 -0.66 -4.84 117.16 113.26 1h72 n TYR 284 Ca -0.01 0.27 -0.28 0.00 -0.01 0.00 0.00 57.90 57.86 1h72 n TYR 284 Cb 0.22 -1.15 -0.16 0.00 -0.02 0.00 0.00 39.34 38.23 1h72 n TYR 284 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1h72 s TYR 285 N -2.57 0.94 0.39 -0.72 1.51 0.10 -5.01 117.35 111.99 1h72 s TYR 285 Ca -0.18 -1.00 0.15 0.00 -1.01 0.00 0.00 57.07 55.03 1h72 s TYR 285 Cb 0.07 -1.12 0.99 0.00 -0.11 0.00 0.00 41.96 41.80 1h72 s TYR 285 CO 0.78 -0.70 1.83 1.05 -1.11 0.00 0.00 175.55 177.39 1h72 h GLU 286 N 8.26 0.49 -5.23 -0.62 4.11 -1.80 -3.23 114.58 116.56 1h72 h GLU 286 Ca -0.16 -0.03 -0.71 0.00 0.07 0.00 0.00 59.36 58.53 1h72 h GLU 286 Cb 1.08 -0.11 -0.12 0.00 0.50 0.00 0.00 28.75 30.09 1h72 h GLU 286 CO 0.38 0.32 1.86 -1.71 0.07 0.00 0.00 179.01 179.94 1h72 n ASN 287 N -4.58 5.04 -4.29 3.06 2.85 -1.26 -4.92 115.26 111.16 1h72 n ASN 287 Ca 0.21 -2.95 -0.31 0.00 -0.11 0.00 0.00 54.58 51.41 1h72 n ASN 287 Cb 0.68 -1.66 -0.16 0.00 1.24 0.00 0.00 39.78 39.88 1h72 n ASN 287 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1h72 s THR 288 N 2.88 2.14 0.10 -0.44 2.01 -1.22 -0.72 115.64 120.39 1h72 s THR 288 Ca 0.48 -1.04 0.06 0.00 0.31 0.00 0.00 61.69 61.50 1h72 s THR 288 Cb 0.02 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 1h72 s THR 288 CO 0.04 0.57 -0.15 0.27 -0.69 0.00 0.00 174.62 174.66 1h72 s ILE 289 N -0.26 1.30 -0.19 1.82 -4.36 0.60 -4.97 121.20 115.14 1h72 s ILE 289 Ca -0.01 -1.51 -0.06 0.00 -0.26 0.00 0.00 60.65 58.82 1h72 s ILE 289 Cb -0.13 -1.33 -0.03 0.00 1.25 0.00 0.00 42.46 42.22 1h72 s ILE 289 CO 0.03 -0.27 0.03 -0.60 0.24 0.00 0.00 174.94 174.36 1h72 s ARG 290 N -2.14 3.78 0.00 0.37 3.52 -1.26 -0.92 118.95 122.30 1h72 s ARG 290 Ca 0.04 -0.44 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 1h72 s ARG 290 Cb -0.08 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 1h72 s ARG 290 CO 0.03 0.15 0.00 -2.37 -0.81 0.00 0.00 175.30 172.30 1h72 n THR 291 N 3.87 0.00 -3.83 4.11 5.66 0.69 -5.00 114.28 119.78 1h72 n THR 291 Ca -0.17 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.73 1h72 n THR 291 Cb 0.52 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.29 1h72 n THR 291 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1h72 n GLU 292 N 0.00 0.68 -2.33 1.09 0.28 -1.26 -0.96 120.64 118.14 1h72 n GLU 292 Ca 0.00 -2.05 -0.42 0.00 -0.16 0.00 0.00 57.16 54.53 1h72 n GLU 292 Cb 0.00 2.16 -0.03 0.00 1.43 0.00 0.00 31.44 35.00 1h72 n GLU 292 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1h72 s VAL 293 N -2.58 3.60 0.60 3.84 1.01 -1.25 -1.41 120.40 124.21 1h72 s VAL 293 Ca 0.19 1.25 0.03 0.00 0.00 0.00 0.00 61.98 63.46 1h72 s VAL 293 Cb -0.02 -3.80 0.08 0.00 0.00 0.00 0.00 36.38 32.64 1h72 s VAL 293 CO 0.14 0.16 0.84 -0.83 0.00 0.00 0.00 175.10 175.40 1h72 s GLY 294 N 0.54 1.80 0.00 4.51 0.00 0.80 -4.54 107.32 110.43 1h72 s GLY 294 Ca 0.57 -1.68 0.13 0.00 0.00 0.00 0.00 44.72 43.74 1h72 s GLY 294 CO 0.34 -1.27 1.26 0.28 0.00 0.00 0.00 173.10 173.71 1h72 n LYS 295 N -2.45 2.57 0.00 2.90 4.76 -1.26 -1.25 118.16 123.44 1h72 n LYS 295 Ca 0.12 -2.05 0.00 0.00 -2.87 0.00 0.00 58.31 53.51 1h72 n LYS 295 Cb 0.60 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 1h72 n LYS 295 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h72 n GLY 296 N 0.74 0.14 3.69 0.72 0.00 -1.26 -4.00 105.19 105.21 1h72 n GLY 296 Ca 0.13 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.78 1h72 n GLY 296 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1h72 n VAL 297 N 0.11 1.19 -3.82 1.61 0.31 0.46 -4.74 118.33 113.46 1h72 n VAL 297 Ca 0.00 -0.30 -0.09 0.00 -0.01 0.00 0.00 64.34 63.94 1h72 n VAL 297 Cb 0.00 -1.56 -0.07 0.00 -0.91 0.00 0.00 33.84 31.31 1h72 n VAL 297 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1h72 s GLU 298 N -0.74 0.93 0.40 5.55 -1.05 -0.96 -5.00 118.70 117.82 1h72 s GLU 298 Ca 0.65 -0.92 -0.25 0.00 -0.15 0.00 0.00 54.97 54.29 1h72 s GLU 298 Cb -0.61 0.37 -0.08 0.00 -0.44 0.00 0.00 34.13 33.37 1h72 s GLU 298 CO 0.52 -0.32 1.21 0.08 0.95 0.00 0.00 175.26 177.71 1h72 s VAL 299 N -3.86 2.98 0.00 1.83 1.01 -1.26 -1.04 120.40 120.06 1h72 s VAL 299 Ca 0.06 0.84 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1h72 s VAL 299 Cb 0.04 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1h72 s VAL 299 CO -0.10 0.09 0.00 1.33 0.00 0.00 0.00 175.10 176.42