#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wtr n GLY 5 N 0.00 0.77 2.68 0.72 0.00 -1.26 -4.92 105.19 103.19 2wtr n GLY 5 Ca 0.00 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 2wtr n GLY 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wtr s THR 6 N -2.14 0.79 0.24 2.61 2.01 -1.16 -4.92 115.64 113.07 2wtr s THR 6 Ca 0.19 -1.54 -0.08 0.00 0.31 0.00 0.00 61.69 60.56 2wtr s THR 6 Cb -0.03 -1.59 -0.07 0.00 0.01 0.00 0.00 72.50 70.82 2wtr s THR 6 CO 0.06 -0.75 0.55 -0.60 -0.69 0.00 0.00 174.62 173.19 2wtr s ARG 7 N 1.42 3.75 -0.03 4.92 3.52 -1.26 -1.82 118.95 129.44 2wtr s ARG 7 Ca 0.12 0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.90 2wtr s ARG 7 Cb -0.19 -2.65 0.03 0.00 -1.56 0.00 0.00 34.95 30.58 2wtr s ARG 7 CO -0.20 0.29 0.07 0.14 -0.81 0.00 0.00 175.30 174.80 2wtr s VAL 8 N -1.88 -0.04 0.60 7.11 -7.23 -0.30 -4.84 120.40 113.83 2wtr s VAL 8 Ca 0.46 0.14 -0.09 0.00 -1.81 0.00 0.00 61.98 60.69 2wtr s VAL 8 Cb -0.11 -0.13 -0.02 0.00 0.56 0.00 0.00 36.38 36.68 2wtr s VAL 8 CO 0.24 0.06 0.97 -0.36 -0.31 0.00 0.00 175.10 175.69 2wtr s PHE 9 N 0.80 3.48 0.10 2.82 0.40 0.78 -2.84 117.98 123.51 2wtr s PHE 9 Ca -0.06 1.02 -0.23 0.00 -0.60 0.00 0.00 56.93 57.06 2wtr s PHE 9 Cb -0.09 -2.71 0.06 0.00 0.51 0.00 0.00 43.02 40.79 2wtr s PHE 9 CO -0.03 -0.74 0.55 -1.59 0.70 0.00 0.00 175.22 174.12 2wtr s LYS 10 N -5.09 1.15 -0.30 0.44 -2.85 -0.97 -1.14 119.74 110.98 2wtr s LYS 10 Ca 0.54 -0.35 -0.08 0.00 -1.00 0.00 0.00 55.97 55.08 2wtr s LYS 10 Cb -0.11 0.53 0.14 0.00 -2.06 0.00 0.00 37.83 36.33 2wtr s LYS 10 CO 0.50 -0.46 0.63 0.21 0.10 0.00 0.00 175.35 176.33 2wtr s LYS 11 N -3.08 0.57 0.30 1.78 2.20 -0.85 -2.61 119.74 118.05 2wtr s LYS 11 Ca -0.02 1.33 -0.08 0.00 -0.36 0.00 0.00 55.97 56.85 2wtr s LYS 11 Cb -0.00 0.77 -0.06 0.00 -1.51 0.00 0.00 37.83 37.03 2wtr s LYS 11 CO -0.07 -0.30 0.61 0.00 -0.36 0.00 0.00 175.35 175.23 2wtr s ALA 12 N 2.88 3.53 1.07 3.13 0.00 -1.26 -2.33 121.76 128.78 2wtr s ALA 12 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 51.46 2wtr s ALA 12 Cb -0.13 -2.45 0.23 0.00 0.00 0.00 0.00 23.12 20.78 2wtr s ALA 12 CO -0.19 0.25 1.07 -1.54 0.00 0.00 0.00 175.76 175.35 2wtr s SER 13 N -2.93 1.71 0.28 0.00 1.04 -0.23 -4.88 113.70 108.69 2wtr s SER 13 Ca 0.47 1.78 0.00 0.00 0.48 0.00 0.00 55.95 58.68 2wtr s SER 13 Cb -0.11 -2.41 0.65 0.00 0.10 0.00 0.00 66.02 64.25 2wtr s SER 13 CO 0.28 -3.79 1.65 -0.65 0.98 0.00 0.00 173.24 171.70 2wtr h PRO 14 N -2.34 0.19 0.00 4.02 0.11 -1.75 -3.28 132.00 128.95 2wtr h PRO 14 Ca -0.54 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.55 2wtr h PRO 14 Cb 1.31 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2wtr h PRO 14 CO 0.47 0.12 0.00 0.27 -0.21 0.00 0.00 178.00 178.65 2wtr n ASN 15 N -5.25 0.00 0.00 -2.05 2.04 -1.25 -5.04 115.26 103.72 2wtr n ASN 15 Ca 0.20 0.07 0.00 0.00 -0.44 0.00 0.00 54.58 54.40 2wtr n ASN 15 Cb 0.63 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.88 2wtr n ASN 15 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2wtr n GLY 16 N 1.99 0.00 0.08 4.83 0.00 -1.24 -5.03 105.19 105.82 2wtr n GLY 16 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2wtr n GLY 16 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wtr h LYS 17 N 0.00 0.05 -5.71 1.61 6.56 -1.92 -3.43 116.57 113.73 2wtr h LYS 17 Ca 0.00 -0.00 -0.66 0.00 -1.06 0.00 0.00 60.65 58.93 2wtr h LYS 17 Cb 0.00 -0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 31.59 2wtr h LYS 17 CO 0.00 0.03 -0.46 -1.17 -2.06 0.00 0.00 179.45 175.79 2wtr s LEU 18 N -10.29 4.39 -0.20 2.94 2.96 -1.26 -2.92 118.68 114.29 2wtr s LEU 18 Ca -0.13 0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 54.21 2wtr s LEU 18 Cb 0.09 -2.25 0.10 0.00 0.50 0.00 0.00 46.19 44.63 2wtr s LEU 18 CO 0.68 0.37 0.40 -0.89 -1.32 0.00 0.00 176.35 175.58 2wtr s THR 19 N -1.11 -0.62 0.15 3.68 2.01 -1.14 -1.06 115.64 117.55 2wtr s THR 19 Ca 0.19 0.12 -0.08 0.00 0.31 0.00 0.00 61.69 62.23 2wtr s THR 19 Cb -0.12 -0.69 -0.06 0.00 0.01 0.00 0.00 72.50 71.64 2wtr s THR 19 CO 0.08 0.03 0.44 -0.69 -0.69 0.00 0.00 174.62 173.79 2wtr s VAL 20 N 2.58 5.07 -0.01 3.82 1.01 -0.98 -1.17 120.40 130.72 2wtr s VAL 20 Ca 0.02 0.28 0.02 0.00 0.00 0.00 0.00 61.98 62.31 2wtr s VAL 20 Cb -0.13 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 2wtr s VAL 20 CO -0.13 0.07 -0.08 -0.31 0.00 0.00 0.00 175.10 174.65 2wtr s TYR 21 N -1.64 0.73 -0.02 5.22 1.51 -0.12 -2.00 117.35 121.03 2wtr s TYR 21 Ca 0.41 -0.15 -0.05 0.00 -1.01 0.00 0.00 57.07 56.27 2wtr s TYR 21 Cb -0.12 -0.49 0.00 0.00 -0.11 0.00 0.00 41.96 41.24 2wtr s TYR 21 CO 0.22 -0.04 0.12 -0.51 -1.11 0.00 0.00 175.55 174.23 2wtr s LEU 22 N -0.05 1.59 0.35 -1.29 1.43 -0.30 -1.89 118.68 118.51 2wtr s LEU 22 Ca 0.01 -0.01 0.13 0.00 -1.03 0.00 0.00 54.13 53.23 2wtr s LEU 22 Cb -0.05 0.52 0.63 0.00 0.03 0.00 0.00 46.19 47.32 2wtr s LEU 22 CO -0.00 -0.21 1.77 1.23 0.23 0.00 0.00 176.35 179.36 2wtr h GLY 23 N 5.10 0.00 -3.98 -3.19 0.00 -1.86 0.22 103.07 99.37 2wtr h GLY 23 Ca -0.28 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.09 2wtr h GLY 23 CO 0.41 0.00 0.42 -1.59 0.00 0.00 0.00 176.54 175.79 2wtr s LYS 24 N -3.99 0.81 -0.02 4.80 -2.85 -1.26 -4.55 119.74 112.68 2wtr s LYS 24 Ca -0.02 0.03 -0.22 0.00 -1.00 0.00 0.00 55.97 54.76 2wtr s LYS 24 Cb 0.14 0.38 -0.14 0.00 -2.06 0.00 0.00 37.83 36.15 2wtr s LYS 24 CO 0.73 -0.29 0.96 0.00 0.10 0.00 0.00 175.35 176.85 2wtr h ARG 25 N 2.50 -0.49 -7.37 1.78 3.08 -1.95 -3.46 114.38 108.47 2wtr h ARG 25 Ca -0.22 0.03 -0.51 0.00 0.07 0.00 0.00 59.98 59.35 2wtr h ARG 25 Cb 1.18 0.11 0.07 0.00 0.08 0.00 0.00 29.97 31.42 2wtr h ARG 25 CO 0.33 -0.19 0.40 -0.51 -1.07 0.00 0.00 179.97 178.94 2wtr s ASP 26 N -5.00 5.87 -0.14 7.04 1.01 -1.26 -3.13 116.67 121.05 2wtr s ASP 26 Ca -0.12 1.42 -0.04 0.00 0.71 0.00 0.00 52.55 54.52 2wtr s ASP 26 Cb 0.01 -2.38 0.07 0.00 1.01 0.00 0.00 42.92 41.63 2wtr s ASP 26 CO 0.42 -1.11 0.23 -0.36 0.21 0.00 0.00 175.17 174.57 2wtr s PHE 27 N -3.17 -0.35 0.08 4.23 0.40 0.01 -4.91 117.98 114.27 2wtr s PHE 27 Ca 0.56 0.70 -0.31 0.00 -0.60 0.00 0.00 56.93 57.28 2wtr s PHE 27 Cb -0.12 -0.17 -0.07 0.00 0.51 0.00 0.00 43.02 43.18 2wtr s PHE 27 CO 0.54 -0.41 1.33 0.08 0.70 0.00 0.00 175.22 177.45 2wtr s VAL 28 N 2.37 3.61 -0.48 -0.44 1.01 -1.26 -2.11 120.40 123.11 2wtr s VAL 28 Ca 0.03 1.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.99 2wtr s VAL 28 Cb -0.13 -3.73 0.07 0.00 0.00 0.00 0.00 36.38 32.60 2wtr s VAL 28 CO -0.09 0.07 0.41 -0.62 0.00 0.00 0.00 175.10 174.87 2wtr s ASP 29 N 1.21 6.15 -0.01 3.32 2.15 0.13 -1.75 116.67 127.87 2wtr s ASP 29 Ca 0.62 -1.32 0.01 0.00 0.43 0.00 0.00 52.55 52.29 2wtr s ASP 29 Cb -0.34 -2.19 0.04 0.00 -0.30 0.00 0.00 42.92 40.13 2wtr s ASP 29 CO 0.29 -0.66 0.63 1.41 -0.17 0.00 0.00 175.17 176.66 2wtr n HIS 30 N 5.25 0.09 0.00 -5.34 8.25 0.04 -3.07 115.22 120.44 2wtr n HIS 30 Ca -0.12 -0.03 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2wtr n HIS 30 Cb 0.44 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.44 2wtr n HIS 30 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2wtr n ILE 31 N -0.03 0.00 0.14 1.59 5.41 -1.26 -4.17 119.36 121.04 2wtr n ILE 31 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.77 2wtr n ILE 31 Cb 0.26 0.00 0.14 0.00 -0.71 0.00 0.00 39.64 39.33 2wtr n ILE 31 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2wtr h ASP 32 N 0.00 0.00 -4.00 4.38 -0.00 -1.94 -3.44 116.42 111.42 2wtr h ASP 32 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.03 57.05 2wtr h ASP 32 Cb 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 39.33 39.10 2wtr h ASP 32 CO 0.00 0.59 0.35 -1.48 -0.00 0.00 0.00 179.24 178.70 2wtr s LEU 33 N -7.01 -0.54 0.01 2.28 2.34 -1.26 -4.86 118.68 109.64 2wtr s LEU 33 Ca 0.01 0.83 -0.07 0.00 0.06 0.00 0.00 54.13 54.96 2wtr s LEU 33 Cb 0.11 2.14 -0.05 0.00 -0.56 0.00 0.00 46.19 47.83 2wtr s LEU 33 CO 0.74 -0.32 0.28 -0.69 -1.06 0.00 0.00 176.35 175.31 2wtr s VAL 34 N -0.40 5.27 0.35 1.48 1.01 -1.26 -0.78 120.40 126.07 2wtr s VAL 34 Ca -0.02 0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 2wtr s VAL 34 Cb -0.03 -3.57 -0.11 0.00 0.00 0.00 0.00 36.38 32.67 2wtr s VAL 34 CO 0.01 0.39 1.45 -1.61 0.00 0.00 0.00 175.10 175.34 2wtr s GLU 35 N -1.69 4.18 0.46 2.72 2.02 -0.72 -4.64 118.70 121.03 2wtr s GLU 35 Ca 0.27 2.47 -0.24 0.00 0.02 0.00 0.00 54.97 57.49 2wtr s GLU 35 Cb -0.13 -3.01 -0.07 0.00 0.10 0.00 0.00 34.13 31.01 2wtr s GLU 35 CO 0.15 -0.46 1.30 -2.14 0.02 0.00 0.00 175.26 174.14 2wtr s PRO 36 N -1.70 3.67 -0.79 0.39 0.02 -1.26 -4.66 135.00 130.67 2wtr s PRO 36 Ca 0.54 2.12 -0.22 0.00 0.02 0.00 0.00 61.00 63.46 2wtr s PRO 36 Cb -0.45 -2.54 0.08 0.00 0.02 0.00 0.00 34.50 31.61 2wtr s PRO 36 CO 0.57 -0.73 1.12 0.08 -0.33 0.00 0.00 177.00 177.72 2wtr s VAL 37 N -1.33 4.28 0.07 3.83 1.01 0.25 -4.95 120.40 123.57 2wtr s VAL 37 Ca 0.63 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.71 2wtr s VAL 37 Cb -0.37 -4.80 -0.05 0.00 0.00 0.00 0.00 36.38 31.16 2wtr s VAL 37 CO 0.46 -1.60 0.88 -1.81 0.00 0.00 0.00 175.10 173.04 2wtr s ASP 38 N 3.86 7.37 0.09 3.32 -0.00 -1.26 -2.79 116.67 127.26 2wtr s ASP 38 Ca 0.30 1.64 -0.27 0.00 -0.00 0.00 0.00 52.55 54.22 2wtr s ASP 38 Cb -0.10 -2.54 0.08 0.00 -0.00 0.00 0.00 42.92 40.36 2wtr s ASP 38 CO 0.03 -0.05 1.00 -0.83 -0.00 0.00 0.00 175.17 175.32 2wtr s GLY 39 N 0.08 -0.30 0.02 0.21 0.00 -1.14 -3.84 107.32 102.35 2wtr s GLY 39 Ca 0.44 0.40 -0.05 0.00 0.00 0.00 0.00 44.72 45.51 2wtr s GLY 39 CO 0.27 0.09 0.09 0.14 0.00 0.00 0.00 173.10 173.69 2wtr s VAL 40 N -3.11 0.11 -0.20 1.40 1.01 -0.79 -2.36 120.40 116.47 2wtr s VAL 40 Ca 0.11 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.15 2wtr s VAL 40 Cb -0.00 -0.63 0.06 0.00 0.00 0.00 0.00 36.38 35.80 2wtr s VAL 40 CO -0.01 -0.51 -0.00 0.54 0.00 0.00 0.00 175.10 175.12 2wtr s VAL 41 N -1.99 0.88 -0.43 2.92 0.11 -0.53 -0.95 120.40 120.41 2wtr s VAL 41 Ca -0.10 -0.73 -0.29 0.00 -2.93 0.00 0.00 61.98 57.93 2wtr s VAL 41 Cb -0.05 -1.26 0.03 0.00 -1.53 0.00 0.00 36.38 33.57 2wtr s VAL 41 CO -0.02 -0.12 1.10 -0.22 -3.33 0.00 0.00 175.10 172.51 2wtr s LEU 42 N 1.70 3.76 -0.15 2.54 0.20 -0.32 -1.97 118.68 124.45 2wtr s LEU 42 Ca -0.02 0.60 -0.07 0.00 0.69 0.00 0.00 54.13 55.33 2wtr s LEU 42 Cb -0.17 -3.51 -0.04 0.00 -0.43 0.00 0.00 46.19 42.04 2wtr s LEU 42 CO -0.07 -1.12 0.09 -0.69 -0.29 0.00 0.00 176.35 174.27 2wtr s VAL 43 N 4.15 5.10 -0.41 1.68 1.01 -0.31 -2.91 120.40 128.72 2wtr s VAL 43 Ca 0.46 0.07 -0.21 0.00 0.00 0.00 0.00 61.98 62.30 2wtr s VAL 43 Cb -0.09 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.06 2wtr s VAL 43 CO 0.26 0.54 0.67 -0.62 0.00 0.00 0.00 175.10 175.95 2wtr s ASP 44 N -0.39 6.38 0.40 3.32 2.15 -1.15 -4.80 116.67 122.59 2wtr s ASP 44 Ca 0.10 -0.09 0.27 0.00 0.43 0.00 0.00 52.55 53.26 2wtr s ASP 44 Cb -0.12 -2.33 1.43 0.00 -0.30 0.00 0.00 42.92 41.60 2wtr s ASP 44 CO 0.02 -0.73 1.83 -0.65 -0.17 0.00 0.00 175.17 175.47 2wtr h PRO 45 N 8.72 0.00 0.00 4.34 0.11 -1.96 -3.11 132.00 140.09 2wtr h PRO 45 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2wtr h PRO 45 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2wtr h PRO 45 CO 0.88 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.06 2wtr n GLU 46 N -2.46 0.00 0.04 1.05 1.02 -1.26 -3.69 120.64 115.34 2wtr n GLU 46 Ca -0.01 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.22 2wtr n GLU 46 Cb 0.07 -0.85 0.41 0.00 -0.02 0.00 0.00 31.44 31.05 2wtr n GLU 46 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2wtr n TYR 47 N -0.37 0.28 0.27 -0.32 0.53 -1.25 -3.17 117.16 113.13 2wtr n TYR 47 Ca 0.00 0.11 0.13 0.00 -1.02 0.00 0.00 57.90 57.12 2wtr n TYR 47 Cb 0.00 -0.67 0.79 0.00 -1.03 0.00 0.00 39.34 38.43 2wtr n TYR 47 CO 0.00 0.00 0.00 1.25 -1.02 0.00 0.00 176.86 177.09 2wtr h LEU 48 N 0.00 0.00 0.00 7.72 7.12 -1.62 -3.48 115.31 125.06 2wtr h LEU 48 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2wtr h LEU 48 Cb 0.34 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.47 2wtr h LEU 48 CO 0.00 0.08 0.00 2.29 -0.13 0.00 0.00 178.44 180.68 2wtr n LYS 49 N -3.78 0.00 0.00 1.25 -0.00 -1.19 -3.20 118.16 111.25 2wtr n LYS 49 Ca -0.02 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.42 2wtr n LYS 49 Cb 0.18 0.00 0.32 0.00 -0.00 0.00 0.00 35.03 35.53 2wtr n LYS 49 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2wtr n GLU 50 N 0.00 1.72 -1.13 -1.58 2.13 -1.26 -4.97 120.64 115.55 2wtr n GLU 50 Ca 0.00 -1.20 -0.29 0.00 0.66 0.00 0.00 57.16 56.33 2wtr n GLU 50 Cb 0.00 -1.48 0.17 0.00 0.27 0.00 0.00 31.44 30.40 2wtr n GLU 50 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 2wtr s ARG 51 N -2.11 0.65 0.21 5.31 1.70 -1.19 -4.96 118.95 118.55 2wtr s ARG 51 Ca 0.31 0.67 -0.10 0.00 -0.47 0.00 0.00 55.73 56.13 2wtr s ARG 51 Cb 0.20 -1.75 -0.07 0.00 -0.57 0.00 0.00 34.95 32.76 2wtr s ARG 51 CO 0.37 -2.62 0.55 1.03 -1.08 0.00 0.00 175.30 173.55 2wtr s ARG 52 N -4.92 3.83 -0.27 3.89 0.52 -0.78 -4.78 118.95 116.44 2wtr s ARG 52 Ca 0.65 0.30 -0.07 0.00 -0.52 0.00 0.00 55.73 56.09 2wtr s ARG 52 Cb -0.19 -2.69 -0.01 0.00 0.52 0.00 0.00 34.95 32.58 2wtr s ARG 52 CO 0.58 0.34 0.07 0.08 0.02 0.00 0.00 175.30 176.40 2wtr s VAL 53 N -1.76 4.11 0.37 3.52 1.01 0.93 -0.97 120.40 127.61 2wtr s VAL 53 Ca 0.46 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 62.05 2wtr s VAL 53 Cb -0.12 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 2wtr s VAL 53 CO 0.21 0.20 0.39 -0.31 0.00 0.00 0.00 175.10 175.58 2wtr s TYR 54 N 1.55 2.87 -0.13 5.22 1.51 -0.73 -1.04 117.35 126.60 2wtr s TYR 54 Ca 0.04 -0.36 -0.04 0.00 -1.01 0.00 0.00 57.07 55.70 2wtr s TYR 54 Cb -0.16 -2.03 0.06 0.00 -0.11 0.00 0.00 41.96 39.72 2wtr s TYR 54 CO 0.03 -0.03 0.20 0.08 -1.11 0.00 0.00 175.55 174.72 2wtr s VAL 55 N -2.34 -0.32 -0.21 0.71 1.01 -0.49 -1.84 120.40 116.93 2wtr s VAL 55 Ca 0.46 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 2wtr s VAL 55 Cb -0.06 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 2wtr s VAL 55 CO 0.29 0.04 -0.05 -0.89 0.00 0.00 0.00 175.10 174.48 2wtr s THR 56 N 2.33 3.34 -0.08 3.92 2.01 0.08 -2.52 115.64 124.73 2wtr s THR 56 Ca 0.04 -0.51 -0.16 0.00 0.31 0.00 0.00 61.69 61.37 2wtr s THR 56 Cb -0.13 -2.51 -0.05 0.00 0.01 0.00 0.00 72.50 69.82 2wtr s THR 56 CO -0.08 0.43 0.40 -0.22 -0.69 0.00 0.00 174.62 174.46 2wtr s LEU 57 N 1.39 4.36 -0.16 4.42 2.96 -0.89 -1.07 118.68 129.68 2wtr s LEU 57 Ca 0.05 0.80 -0.04 0.00 -0.22 0.00 0.00 54.13 54.72 2wtr s LEU 57 Cb -0.14 -2.57 0.08 0.00 0.50 0.00 0.00 46.19 44.06 2wtr s LEU 57 CO -0.03 0.17 0.25 -0.89 -1.32 0.00 0.00 176.35 174.53 2wtr s THR 58 N -0.16 -0.39 -0.12 3.68 2.01 -0.42 -1.78 115.64 118.47 2wtr s THR 58 Ca 0.23 0.13 -0.18 0.00 0.31 0.00 0.00 61.69 62.18 2wtr s THR 58 Cb -0.15 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.78 2wtr s THR 58 CO 0.10 -0.00 0.48 0.00 -0.69 0.00 0.00 174.62 174.50 2wtr s ALA 60 N 0.63 -1.18 -0.23 0.00 0.00 -0.89 -0.81 121.76 119.28 2wtr s ALA 60 Ca 0.26 1.50 -0.27 0.00 0.00 0.00 0.00 51.96 53.45 2wtr s ALA 60 Cb -0.15 -0.89 -0.00 0.00 0.00 0.00 0.00 23.12 22.08 2wtr s ALA 60 CO 0.10 -0.25 0.92 0.12 0.00 0.00 0.00 175.76 176.65 2wtr s PHE 61 N 0.80 3.34 0.24 0.00 5.36 -0.64 -2.41 117.98 124.67 2wtr s PHE 61 Ca -0.04 1.29 0.06 0.00 -0.96 0.00 0.00 56.93 57.27 2wtr s PHE 61 Cb -0.05 -3.14 -0.03 0.00 -0.34 0.00 0.00 43.02 39.46 2wtr s PHE 61 CO -0.06 -0.41 0.30 -0.98 -1.46 0.00 0.00 175.22 172.60 2wtr s ARG 62 N 2.89 3.25 -0.29 10.12 1.70 -0.36 -1.89 118.95 134.38 2wtr s ARG 62 Ca 0.39 -0.86 -0.12 0.00 -0.47 0.00 0.00 55.73 54.67 2wtr s ARG 62 Cb -0.15 -2.78 0.11 0.00 -0.57 0.00 0.00 34.95 31.56 2wtr s ARG 62 CO 0.08 0.42 0.66 -0.47 -1.08 0.00 0.00 175.30 174.91 2wtr s TYR 63 N -2.02 -1.23 -5.00 5.89 5.04 -0.47 -2.56 117.35 117.01 2wtr s TYR 63 Ca 0.34 2.24 0.00 0.00 -2.44 0.00 0.00 57.07 57.20 2wtr s TYR 63 Cb -0.09 0.73 0.00 0.00 0.35 0.00 0.00 41.96 42.95 2wtr s TYR 63 CO 0.27 -0.61 0.00 0.41 -1.34 0.00 0.00 175.55 174.28 2wtr n GLY 64 N 5.03 0.79 3.64 8.97 0.00 0.47 -1.29 105.19 122.81 2wtr n GLY 64 Ca -0.15 -1.81 -0.45 0.00 0.00 0.00 0.00 46.02 43.60 2wtr n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wtr n ARG 65 N 0.00 1.75 -0.09 1.61 5.12 -1.25 -3.48 116.66 120.32 2wtr n ARG 65 Ca 0.00 0.62 -0.06 0.00 -1.93 0.00 0.00 57.85 56.48 2wtr n ARG 65 Cb 0.00 -2.19 0.01 0.00 -1.16 0.00 0.00 32.46 29.11 2wtr n ARG 65 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2wtr h GLU 66 N 3.55 0.07 -0.06 5.56 4.39 -1.91 -3.18 114.58 123.00 2wtr h GLU 66 Ca -0.44 -0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.19 2wtr h GLU 66 Cb 1.30 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2wtr h GLU 66 CO 0.71 0.05 -0.23 0.38 -1.16 0.00 0.00 179.01 178.76 2wtr h ASP 67 N 0.07 0.31 -3.44 1.42 2.03 -1.96 -3.46 116.42 111.39 2wtr h ASP 67 Ca 0.16 -0.63 -0.44 0.00 -0.73 0.00 0.00 57.03 55.39 2wtr h ASP 67 Cb 0.23 -0.09 0.20 0.00 -0.83 0.00 0.00 39.33 38.83 2wtr h ASP 67 CO -0.28 0.88 0.06 -0.76 -1.03 0.00 0.00 179.24 178.11 2wtr s LEU 68 N -8.79 1.04 0.00 0.15 1.43 -1.20 -4.97 118.68 106.33 2wtr s LEU 68 Ca -0.15 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 2wtr s LEU 68 Cb 0.03 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2wtr s LEU 68 CO 0.75 -3.92 0.06 -0.67 0.23 0.00 0.00 176.35 172.80 2wtr n ASP 69 N -4.72 0.00 -4.74 2.29 2.03 -1.26 -4.84 116.55 105.30 2wtr n ASP 69 Ca 0.04 -0.58 -0.41 0.00 0.52 0.00 0.00 54.79 54.36 2wtr n ASP 69 Cb 0.55 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.91 2wtr n ASP 69 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2wtr s VAL 70 N 0.00 3.86 0.56 5.18 0.11 -1.26 -4.82 120.40 124.03 2wtr s VAL 70 Ca 0.00 1.71 -0.21 0.00 -2.93 0.00 0.00 61.98 60.56 2wtr s VAL 70 Cb 0.00 -4.09 -0.04 0.00 -1.53 0.00 0.00 36.38 30.71 2wtr s VAL 70 CO 0.00 0.34 1.31 -0.22 -3.33 0.00 0.00 175.10 173.20 2wtr s LEU 71 N -0.77 3.79 0.00 2.54 0.20 -1.26 -1.43 118.68 121.76 2wtr s LEU 71 Ca 0.46 2.65 0.00 0.00 0.69 0.00 0.00 54.13 57.93 2wtr s LEU 71 Cb -0.29 -4.37 0.00 0.00 -0.43 0.00 0.00 46.19 41.10 2wtr s LEU 71 CO 0.35 -1.59 0.00 0.61 -0.29 0.00 0.00 176.35 175.44 2wtr n GLY 72 N 0.70 0.79 2.01 7.98 0.00 -1.26 -4.76 105.19 110.65 2wtr n GLY 72 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2wtr n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wtr n LEU 73 N 0.00 -0.26 -4.68 0.99 4.77 -1.04 -5.07 117.00 111.70 2wtr n LEU 73 Ca 0.00 0.34 -0.39 0.00 -0.03 0.00 0.00 56.01 55.93 2wtr n LEU 73 Cb 0.00 0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 2wtr n LEU 73 CO 0.00 -0.66 0.22 -0.89 -1.33 0.00 0.00 177.39 174.73 2wtr s THR 74 N -2.00 5.13 0.15 -5.08 2.01 -0.51 -4.86 115.64 110.48 2wtr s THR 74 Ca 0.00 0.95 -0.18 0.00 0.31 0.00 0.00 61.69 62.77 2wtr s THR 74 Cb 0.00 -3.83 -0.07 0.00 0.01 0.00 0.00 72.50 68.60 2wtr s THR 74 CO 0.00 0.22 0.62 0.12 -0.69 0.00 0.00 174.62 174.89 2wtr s PHE 75 N 1.31 3.69 0.04 4.92 5.36 -0.41 -4.64 117.98 128.24 2wtr s PHE 75 Ca 0.25 1.24 -0.10 0.00 -0.96 0.00 0.00 56.93 57.36 2wtr s PHE 75 Cb -0.15 -2.49 0.00 0.00 -0.34 0.00 0.00 43.02 40.04 2wtr s PHE 75 CO 0.10 0.45 0.20 1.03 -1.46 0.00 0.00 175.22 175.54 2wtr s ARG 76 N -1.70 0.68 -0.24 10.12 0.52 -1.26 -1.36 118.95 125.71 2wtr s ARG 76 Ca 0.37 -0.59 -0.03 0.00 -0.52 0.00 0.00 55.73 54.95 2wtr s ARG 76 Cb -0.17 0.28 0.13 0.00 0.52 0.00 0.00 34.95 35.71 2wtr s ARG 76 CO 0.20 -0.20 0.42 0.21 0.02 0.00 0.00 175.30 175.95 2wtr s LYS 77 N -2.44 0.37 -0.37 3.54 2.20 -0.79 -4.97 119.74 117.28 2wtr s LYS 77 Ca -0.06 0.71 -0.28 0.00 -0.36 0.00 0.00 55.97 55.98 2wtr s LYS 77 Cb -0.02 -0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.12 2wtr s LYS 77 CO -0.03 -0.55 1.78 -0.51 -0.36 0.00 0.00 175.35 175.68 2wtr s ASP 78 N 2.60 5.84 0.24 1.43 1.01 -1.26 -1.63 116.67 124.90 2wtr s ASP 78 Ca 0.10 1.15 0.25 0.00 0.71 0.00 0.00 52.55 54.76 2wtr s ASP 78 Cb -0.15 -2.53 0.57 0.00 1.01 0.00 0.00 42.92 41.83 2wtr s ASP 78 CO -0.16 -1.78 1.61 -0.07 0.21 0.00 0.00 175.17 174.98 2wtr h LEU 79 N 13.96 0.00 -7.00 1.23 3.38 -1.34 -3.47 115.31 122.07 2wtr h LEU 79 Ca -0.32 -0.04 0.06 0.00 0.09 0.00 0.00 57.88 57.67 2wtr h LEU 79 Cb 1.16 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.66 2wtr h LEU 79 CO 1.06 0.02 0.46 0.12 0.09 0.00 0.00 178.44 180.19 2wtr s PHE 80 N -3.15 -0.46 -0.07 1.13 5.36 -1.06 -4.99 117.98 114.74 2wtr s PHE 80 Ca 0.08 1.08 -0.07 0.00 -0.96 0.00 0.00 56.93 57.06 2wtr s PHE 80 Cb 0.11 0.38 0.02 0.00 -0.34 0.00 0.00 43.02 43.18 2wtr s PHE 80 CO 0.65 -0.25 0.21 0.08 -1.46 0.00 0.00 175.22 174.45 2wtr s VAL 81 N 0.01 0.01 -0.19 3.12 1.01 -1.26 -1.68 120.40 121.42 2wtr s VAL 81 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 2wtr s VAL 81 Cb -0.04 -0.31 0.09 0.00 0.00 0.00 0.00 36.38 36.12 2wtr s VAL 81 CO -0.05 -0.02 0.26 0.00 0.00 0.00 0.00 175.10 175.29 2wtr s ALA 82 N 0.01 -0.51 -0.07 5.51 0.00 -0.73 -5.03 121.76 120.93 2wtr s ALA 82 Ca -0.01 0.59 -0.05 0.00 0.00 0.00 0.00 51.96 52.48 2wtr s ALA 82 Cb -0.02 -1.30 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 2wtr s ALA 82 CO 0.00 -1.05 0.16 -0.80 0.00 0.00 0.00 175.76 174.08 2wtr s ASN 83 N 2.40 6.39 -0.07 0.00 0.02 -1.26 -2.09 114.94 120.32 2wtr s ASN 83 Ca 0.06 0.43 -0.05 0.00 -1.02 0.00 0.00 52.86 52.29 2wtr s ASN 83 Cb -0.15 -2.05 0.03 0.00 0.02 0.00 0.00 41.25 39.11 2wtr s ASN 83 CO -0.12 0.34 0.17 0.68 0.02 0.00 0.00 177.10 178.19 2wtr s VAL 84 N -1.16 -0.02 -0.49 1.60 -7.23 -1.05 -5.01 120.40 107.04 2wtr s VAL 84 Ca 0.21 0.08 -0.20 0.00 -1.81 0.00 0.00 61.98 60.25 2wtr s VAL 84 Cb -0.12 -0.25 0.04 0.00 0.56 0.00 0.00 36.38 36.61 2wtr s VAL 84 CO 0.11 0.03 0.68 -1.58 -0.31 0.00 0.00 175.10 174.02 2wtr s GLN 85 N 0.61 3.20 0.35 4.82 0.74 -1.26 -1.39 119.66 126.74 2wtr s GLN 85 Ca -0.04 -0.63 0.23 0.00 0.05 0.00 0.00 55.36 54.97 2wtr s GLN 85 Cb -0.06 -4.04 0.23 0.00 1.10 0.00 0.00 33.01 30.24 2wtr s GLN 85 CO -0.03 -1.19 1.42 0.77 -0.55 0.00 0.00 175.29 175.71 2wtr h SER 86 N 9.00 0.00 -2.46 6.67 0.02 -1.39 -3.39 113.55 122.00 2wtr h SER 86 Ca -0.27 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 2wtr h SER 86 Cb 1.09 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.39 2wtr h SER 86 CO 0.96 0.00 -0.23 0.12 -1.14 0.00 0.00 176.83 176.54 2wtr s PHE 87 N -3.26 -1.00 0.87 3.45 5.36 -1.06 -3.57 117.98 118.76 2wtr s PHE 87 Ca 0.04 1.86 -0.11 0.00 -0.96 0.00 0.00 56.93 57.76 2wtr s PHE 87 Cb 0.07 0.52 0.12 0.00 -0.34 0.00 0.00 43.02 43.39 2wtr s PHE 87 CO 0.71 -0.54 1.17 -2.14 -1.46 0.00 0.00 175.22 172.96 2wtr s PRO 88 N 2.48 1.27 0.00 10.12 0.02 -1.26 -0.05 135.00 147.58 2wtr s PRO 88 Ca -0.05 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.59 2wtr s PRO 88 Cb -0.11 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.66 2wtr s PRO 88 CO -0.16 -2.46 0.36 -2.30 -0.33 0.00 0.00 177.00 172.11 2wtr n PRO 89 N -3.87 0.00 -0.36 5.54 -0.02 -1.23 -4.87 135.00 130.18 2wtr n PRO 89 Ca 0.12 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.65 2wtr n PRO 89 Cb 0.51 -1.44 -0.01 0.00 -0.02 0.00 0.00 33.50 32.54 2wtr n PRO 89 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wtr n ALA 90 N -0.85 -0.93 -1.00 3.55 0.00 -1.26 -4.39 120.51 115.64 2wtr n ALA 90 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2wtr n ALA 90 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2wtr n ALA 90 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2wtr n PRO 91 N -2.50 0.00 0.01 0.00 -0.02 -1.26 -4.99 135.00 126.24 2wtr n PRO 91 Ca 0.00 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2wtr n PRO 91 Cb 0.16 -0.55 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 2wtr n PRO 91 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wtr n GLU 92 N -0.07 0.00 -0.08 -0.52 1.02 -1.26 -5.01 120.64 114.72 2wtr n GLU 92 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2wtr n GLU 92 Cb 0.00 -0.23 -0.07 0.00 -0.02 0.00 0.00 31.44 31.12 2wtr n GLU 92 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2wtr h ASP 93 N 0.00 0.00 0.00 1.62 3.32 -1.95 -3.49 116.42 115.92 2wtr h ASP 93 Ca 0.00 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2wtr h ASP 93 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 2wtr h ASP 93 CO 0.00 1.09 -0.57 0.29 -1.72 0.00 0.00 179.24 178.33 2wtr n LYS 94 N -4.55 2.33 -1.93 3.56 5.02 -1.26 -5.02 118.16 116.31 2wtr n LYS 94 Ca -0.18 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.69 2wtr n LYS 94 Cb 0.45 -0.79 -0.03 0.00 -0.02 0.00 0.00 35.03 34.65 2wtr n LYS 94 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2wtr s LYS 95 N -1.52 4.18 0.35 1.97 1.02 -1.26 -4.95 119.74 119.54 2wtr s LYS 95 Ca 0.00 2.31 -0.28 0.00 0.02 0.00 0.00 55.97 58.01 2wtr s LYS 95 Cb 0.00 -3.84 -0.12 0.00 -0.52 0.00 0.00 37.83 33.35 2wtr s LYS 95 CO 0.00 -0.81 1.45 -2.30 -0.92 0.00 0.00 175.35 172.77 2wtr n PRO 96 N 6.52 2.52 -1.92 -1.68 -0.02 -1.26 -4.92 135.00 134.23 2wtr n PRO 96 Ca 0.17 0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 62.13 2wtr n PRO 96 Cb 0.42 -2.58 -0.01 0.00 -0.02 0.00 0.00 33.50 31.31 2wtr n PRO 96 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wtr s LEU 97 N -1.51 4.35 0.60 2.45 1.02 -1.26 -5.01 118.68 119.32 2wtr s LEU 97 Ca 0.56 2.91 -0.10 0.00 0.02 0.00 0.00 54.13 57.52 2wtr s LEU 97 Cb -0.51 -3.68 -0.03 0.00 0.02 0.00 0.00 46.19 42.00 2wtr s LEU 97 CO 0.61 -0.76 0.98 0.42 0.02 0.00 0.00 176.35 177.62 2wtr s THR 98 N -1.13 4.56 0.45 5.49 -4.23 -1.26 -4.90 115.64 114.61 2wtr s THR 98 Ca 0.52 0.64 0.14 0.00 -1.18 0.00 0.00 61.69 61.80 2wtr s THR 98 Cb -0.44 -3.80 0.32 0.00 1.34 0.00 0.00 72.50 69.92 2wtr s THR 98 CO 0.59 -0.99 2.02 -0.09 -0.54 0.00 0.00 174.62 175.61 2wtr h ARG 99 N -0.23 0.34 -0.10 3.99 9.65 -2.00 -1.40 114.38 124.63 2wtr h ARG 99 Ca -0.45 -0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.35 2wtr h ARG 99 Cb 1.20 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.71 2wtr h ARG 99 CO 0.62 0.23 -0.16 1.25 2.80 0.00 0.00 179.97 184.71 2wtr h LEU 100 N 0.35 0.32 -1.47 3.80 5.85 -1.99 -2.84 115.31 119.34 2wtr h LEU 100 Ca 0.22 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 2wtr h LEU 100 Cb 0.40 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2wtr h LEU 100 CO -0.05 0.79 0.16 1.56 -0.34 0.00 0.00 178.44 180.56 2wtr h GLN 101 N -0.14 0.52 0.13 1.25 4.20 -1.74 -0.64 115.11 118.69 2wtr h GLN 101 Ca 0.01 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 2wtr h GLN 101 Cb 0.73 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.41 2wtr h GLN 101 CO 0.04 0.42 -0.06 0.93 -0.67 0.00 0.00 178.83 179.49 2wtr h GLU 102 N 0.52 -0.17 0.00 1.46 5.08 -1.29 -2.41 114.58 117.77 2wtr h GLU 102 Ca 0.13 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2wtr h GLU 102 Cb 0.09 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2wtr h GLU 102 CO -0.02 0.16 -0.27 0.00 -1.00 0.00 0.00 179.01 177.88 2wtr h ARG 103 N -0.51 0.00 -0.11 2.33 3.08 -1.28 -1.69 114.38 116.21 2wtr h ARG 103 Ca -0.02 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 2wtr h ARG 103 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 2wtr h ARG 103 CO 0.03 0.27 -0.51 -0.07 -1.07 0.00 0.00 179.97 178.63 2wtr h LEU 104 N 0.00 0.33 -0.23 3.04 3.38 -1.08 -2.31 115.31 118.44 2wtr h LEU 104 Ca -0.00 -0.16 -0.22 0.00 0.09 0.00 0.00 57.88 57.59 2wtr h LEU 104 Cb 0.50 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2wtr h LEU 104 CO 0.04 0.78 -0.87 0.40 0.09 0.00 0.00 178.44 178.87 2wtr h ILE 105 N 0.24 1.38 -0.22 1.22 2.04 -0.91 -2.52 117.51 118.73 2wtr h ILE 105 Ca 0.01 -2.30 0.01 0.00 1.00 0.00 0.00 64.86 63.57 2wtr h ILE 105 Cb 0.98 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 39.33 2wtr h ILE 105 CO 0.08 0.69 0.13 0.11 0.00 0.00 0.00 178.15 179.17 2wtr h LYS 106 N 0.28 0.27 -0.54 2.37 1.57 -1.20 -2.79 116.57 116.52 2wtr h LYS 106 Ca -0.07 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2wtr h LYS 106 Cb 1.49 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.71 2wtr h LYS 106 CO 0.15 0.18 0.26 -0.22 -0.57 0.00 0.00 179.45 179.26 2wtr h LYS 107 N 0.28 0.78 0.00 3.15 1.63 -1.46 -3.43 116.57 117.52 2wtr h LYS 107 Ca 0.08 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2wtr h LYS 107 Cb -0.02 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.47 2wtr h LYS 107 CO -0.03 0.64 0.00 1.28 -3.45 0.00 0.00 179.45 177.89 2wtr n LEU 108 N -4.57 0.00 -3.48 5.20 4.77 -0.95 -5.09 117.00 112.88 2wtr n LEU 108 Ca 0.03 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 2wtr n LEU 108 Cb 0.12 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.08 2wtr n LEU 108 CO 0.37 -0.41 -0.23 -0.83 -1.33 0.00 0.00 177.39 174.97 2wtr s GLY 109 N -2.40 0.08 0.00 -0.72 0.00 -1.25 -4.89 107.32 98.14 2wtr s GLY 109 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 44.44 2wtr s GLY 109 CO 0.00 2.29 0.00 -1.84 0.00 0.00 0.00 173.10 173.55 2wtr n GLU 110 N 5.30 -1.63 0.00 2.90 0.28 -1.26 -4.26 120.64 121.98 2wtr n GLU 110 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.96 2wtr n GLU 110 Cb 0.47 -4.13 0.00 0.00 1.43 0.00 0.00 31.44 29.21 2wtr n GLU 110 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2wtr n HIS 111 N -1.47 0.00 -2.80 -1.84 8.25 -1.26 -5.01 115.22 111.10 2wtr n HIS 111 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 2wtr n HIS 111 Cb 0.16 0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 2wtr n HIS 111 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wtr s ALA 112 N 0.00 3.14 -0.16 -1.41 0.00 -1.26 -1.17 121.76 120.91 2wtr s ALA 112 Ca 0.00 -1.12 -0.06 0.00 0.00 0.00 0.00 51.96 50.78 2wtr s ALA 112 Cb 0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 2wtr s ALA 112 CO 0.00 -2.39 0.04 0.71 0.00 0.00 0.00 175.76 174.13 2wtr s TYR 113 N 4.08 3.23 0.77 0.00 1.51 -0.83 -4.85 117.35 121.26 2wtr s TYR 113 Ca 0.33 0.08 -0.12 0.00 -1.01 0.00 0.00 57.07 56.35 2wtr s TYR 113 Cb -0.11 -2.00 0.06 0.00 -0.11 0.00 0.00 41.96 39.79 2wtr s TYR 113 CO 0.21 0.23 1.11 -2.14 -1.11 0.00 0.00 175.55 173.85 2wtr s PRO 114 N 0.05 2.12 -0.27 -1.71 0.02 -1.26 -1.45 135.00 132.49 2wtr s PRO 114 Ca 0.05 1.32 -0.24 0.00 0.02 0.00 0.00 61.00 62.15 2wtr s PRO 114 Cb -0.12 -1.87 0.08 0.00 0.02 0.00 0.00 34.50 32.60 2wtr s PRO 114 CO 0.01 -1.77 0.75 -0.59 -0.33 0.00 0.00 177.00 175.07 2wtr s PHE 115 N -2.68 -0.78 -0.07 6.54 -0.12 -0.99 -4.78 117.98 115.09 2wtr s PHE 115 Ca 0.64 1.87 -0.03 0.00 -0.05 0.00 0.00 56.93 59.36 2wtr s PHE 115 Cb -0.20 0.31 0.04 0.00 -0.63 0.00 0.00 43.02 42.55 2wtr s PHE 115 CO 0.53 -0.38 0.14 0.99 -0.05 0.00 0.00 175.22 176.45 2wtr s THR 116 N 0.48 -0.18 -0.12 -4.49 2.01 -1.26 -2.88 115.64 109.20 2wtr s THR 116 Ca -0.01 0.30 -0.04 0.00 0.31 0.00 0.00 61.69 62.26 2wtr s THR 116 Cb -0.05 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 2wtr s THR 116 CO -0.02 0.13 0.02 -0.36 -0.69 0.00 0.00 174.62 173.70 2wtr s PHE 117 N 1.88 3.19 -0.35 4.92 0.40 -1.12 -4.93 117.98 121.98 2wtr s PHE 117 Ca -0.01 0.10 -0.06 0.00 -0.60 0.00 0.00 56.93 56.37 2wtr s PHE 117 Cb -0.12 -1.90 0.05 0.00 0.51 0.00 0.00 43.02 41.57 2wtr s PHE 117 CO -0.05 0.33 0.11 -2.00 0.70 0.00 0.00 175.22 174.30 2wtr s GLU 118 N -0.38 2.52 -0.01 0.44 2.12 -1.26 -0.58 118.70 121.55 2wtr s GLU 118 Ca 0.08 -1.29 -0.26 0.00 0.36 0.00 0.00 54.97 53.86 2wtr s GLU 118 Cb -0.12 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 2wtr s GLU 118 CO 0.02 -0.73 0.79 0.42 -0.54 0.00 0.00 175.26 175.22 2wtr s ILE 119 N 1.35 4.90 0.57 -3.70 1.01 -1.26 -5.04 121.20 119.02 2wtr s ILE 119 Ca -0.01 1.65 -0.20 0.00 0.00 0.00 0.00 60.65 62.09 2wtr s ILE 119 Cb -0.20 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 2wtr s ILE 119 CO 0.01 0.27 1.28 -2.84 0.00 0.00 0.00 174.94 173.66 2wtr s PRO 120 N 0.56 3.03 0.17 2.79 0.02 -1.26 -3.99 135.00 136.31 2wtr s PRO 120 Ca 0.41 2.03 -0.06 0.00 0.02 0.00 0.00 61.00 63.40 2wtr s PRO 120 Cb -0.19 -2.09 0.05 0.00 0.02 0.00 0.00 34.50 32.28 2wtr s PRO 120 CO 0.22 -1.21 1.48 -1.35 -0.33 0.00 0.00 177.00 175.81 2wtr h PRO 121 N 1.16 0.70 0.00 5.54 0.11 -1.89 -3.26 132.00 134.36 2wtr h PRO 121 Ca -0.51 -0.42 0.00 0.00 0.11 0.00 0.00 66.00 65.18 2wtr h PRO 121 Cb 1.30 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2wtr h PRO 121 CO 0.56 1.04 0.00 0.09 -0.21 0.00 0.00 178.00 179.48 2wtr n ASN 122 N -3.99 0.00 -4.79 -2.05 4.13 -1.26 -4.82 115.26 102.48 2wtr n ASN 122 Ca -0.03 -0.27 -0.34 0.00 1.68 0.00 0.00 54.58 55.62 2wtr n ASN 122 Cb 0.60 -0.14 -0.01 0.00 -1.54 0.00 0.00 39.78 38.69 2wtr n ASN 122 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2wtr s LEU 123 N -2.28 3.73 0.39 3.41 1.43 -1.23 -5.02 118.68 119.11 2wtr s LEU 123 Ca 0.22 2.02 -0.25 0.00 -1.03 0.00 0.00 54.13 55.09 2wtr s LEU 123 Cb 0.12 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.69 2wtr s LEU 123 CO 0.23 -1.07 1.07 -2.84 0.23 0.00 0.00 176.35 173.98 2wtr s PRO 124 N -3.42 4.18 1.01 1.29 0.02 -1.26 -5.06 135.00 131.76 2wtr s PRO 124 Ca 0.69 1.58 -0.14 0.00 0.02 0.00 0.00 61.00 63.15 2wtr s PRO 124 Cb -0.20 -2.61 0.20 0.00 0.02 0.00 0.00 34.50 31.91 2wtr s PRO 124 CO 0.26 -0.15 1.13 0.00 -0.33 0.00 0.00 177.00 177.92 2wtr s SER 126 N -3.89 6.95 -0.03 0.00 0.01 -1.04 -4.75 113.70 110.94 2wtr s SER 126 Ca 0.67 2.47 -0.29 0.00 1.31 0.00 0.00 55.95 60.11 2wtr s SER 126 Cb -0.14 -2.63 0.08 0.00 0.21 0.00 0.00 66.02 63.55 2wtr s SER 126 CO 0.55 -0.43 0.75 0.54 0.41 0.00 0.00 173.24 175.06 2wtr s VAL 127 N -0.68 0.00 0.14 3.43 0.11 -1.14 -4.56 120.40 117.71 2wtr s VAL 127 Ca 0.51 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 59.50 2wtr s VAL 127 Cb -0.36 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.47 2wtr s VAL 127 CO 0.44 0.00 0.19 -0.89 -3.33 0.00 0.00 175.10 171.51 2wtr s THR 128 N -1.82 0.09 -0.25 5.04 2.01 0.15 -1.48 115.64 119.39 2wtr s THR 128 Ca -0.06 -1.57 -0.02 0.00 0.31 0.00 0.00 61.69 60.36 2wtr s THR 128 Cb -0.00 -1.86 0.14 0.00 0.01 0.00 0.00 72.50 70.79 2wtr s THR 128 CO 0.02 -0.41 0.39 -0.22 -0.69 0.00 0.00 174.62 173.71 2wtr s LEU 129 N -2.98 -0.67 -0.34 4.42 0.20 -0.65 -0.30 118.68 118.36 2wtr s LEU 129 Ca 0.18 0.19 -0.23 0.00 0.69 0.00 0.00 54.13 54.96 2wtr s LEU 129 Cb 0.05 1.15 0.00 0.00 -0.43 0.00 0.00 46.19 46.96 2wtr s LEU 129 CO -0.01 -0.30 0.76 -1.10 -0.29 0.00 0.00 176.35 175.41 2wtr s GLN 130 N 2.55 3.84 0.07 1.98 -1.52 -1.24 -3.50 119.66 121.86 2wtr s GLN 130 Ca 0.13 0.40 0.24 0.00 -1.95 0.00 0.00 55.36 54.17 2wtr s GLN 130 Cb -0.15 -3.77 0.95 0.00 -0.22 0.00 0.00 33.01 29.82 2wtr s GLN 130 CO -0.17 -0.75 1.74 -2.30 -0.25 0.00 0.00 175.29 173.56 2wtr n PRO 131 N 6.26 0.07 0.00 2.91 -0.02 -1.26 -0.31 135.00 142.65 2wtr n PRO 131 Ca 0.03 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2wtr n PRO 131 Cb 0.48 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 2wtr n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wtr n GLY 132 N 0.83 0.33 0.31 -1.23 0.00 -1.26 -3.99 105.19 100.18 2wtr n GLY 132 Ca 0.05 -1.76 0.15 0.00 0.00 0.00 0.00 46.02 44.46 2wtr n GLY 132 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wtr h PRO 133 N 0.00 0.00 -0.65 1.61 0.11 -1.97 -2.77 132.00 128.33 2wtr h PRO 133 Ca 0.00 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.22 2wtr h PRO 133 Cb 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.03 2wtr h PRO 133 CO 0.00 0.00 0.24 0.93 -0.21 0.00 0.00 178.00 178.96 2wtr h GLU 134 N 0.00 0.40 -1.95 1.05 4.39 -2.03 -3.35 114.58 113.08 2wtr h GLU 134 Ca 0.05 -0.02 -0.41 0.00 0.34 0.00 0.00 59.36 59.32 2wtr h GLU 134 Cb 0.26 -0.09 -0.31 0.00 -0.10 0.00 0.00 28.75 28.51 2wtr h GLU 134 CO -0.00 0.26 -0.74 -0.51 -1.16 0.00 0.00 179.01 176.86 2wtr s ASP 135 N -5.37 0.96 0.39 1.42 1.01 -1.05 -4.99 116.67 109.04 2wtr s ASP 135 Ca -0.13 -2.02 0.28 0.00 0.71 0.00 0.00 52.55 51.39 2wtr s ASP 135 Cb 0.18 0.45 1.11 0.00 1.01 0.00 0.00 42.92 45.66 2wtr s ASP 135 CO 0.75 -0.21 1.83 0.71 0.21 0.00 0.00 175.17 178.46 2wtr h THR 136 N 4.92 0.00 0.00 -1.27 1.35 -1.70 -2.97 112.91 113.25 2wtr h THR 136 Ca 0.11 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 2wtr h THR 136 Cb 1.02 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2wtr h THR 136 CO 0.22 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 2wtr n GLY 137 N 0.15 -1.12 0.54 5.82 0.00 -1.26 -2.61 105.19 106.71 2wtr n GLY 137 Ca 0.02 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2wtr n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wtr n LYS 138 N -1.71 1.72 -1.87 1.61 5.02 -1.12 -3.71 118.16 118.10 2wtr n LYS 138 Ca 0.03 -1.07 -0.37 0.00 -2.02 0.00 0.00 58.31 54.88 2wtr n LYS 138 Cb 0.20 -1.41 0.05 0.00 -0.02 0.00 0.00 35.03 33.85 2wtr n LYS 138 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wtr s ALA 139 N -1.82 2.50 0.04 7.82 0.00 -1.07 -4.77 121.76 124.45 2wtr s ALA 139 Ca 0.33 1.14 -0.28 0.00 0.00 0.00 0.00 51.96 53.15 2wtr s ALA 139 Cb 0.18 -3.51 0.09 0.00 0.00 0.00 0.00 23.12 19.88 2wtr s ALA 139 CO 0.27 -1.37 1.02 0.00 0.00 0.00 0.00 175.76 175.68 2wtr n GLY 141 N -0.36 1.95 3.85 0.00 0.00 -1.06 -1.64 105.19 107.94 2wtr n GLY 141 Ca -0.07 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 2wtr n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wtr s VAL 142 N -2.00 4.97 -0.08 1.61 1.01 -0.55 -1.22 120.40 124.15 2wtr s VAL 142 Ca 0.00 0.70 -0.05 0.00 0.00 0.00 0.00 61.98 62.63 2wtr s VAL 142 Cb 0.00 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.71 2wtr s VAL 142 CO 0.00 0.34 0.19 -1.81 0.00 0.00 0.00 175.10 173.81 2wtr s ASP 143 N -1.59 -0.18 -0.37 3.32 1.01 -1.01 -2.87 116.67 114.98 2wtr s ASP 143 Ca 0.33 0.38 -0.14 0.00 0.71 0.00 0.00 52.55 53.84 2wtr s ASP 143 Cb -0.15 0.33 -0.00 0.00 1.01 0.00 0.00 42.92 44.10 2wtr s ASP 143 CO 0.18 -0.11 0.26 -0.31 0.21 0.00 0.00 175.17 175.40 2wtr s TYR 144 N 0.69 3.23 0.08 4.23 1.51 -1.24 -2.11 117.35 123.74 2wtr s TYR 144 Ca -0.05 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.66 2wtr s TYR 144 Cb -0.06 -2.52 -0.04 0.00 -0.11 0.00 0.00 41.96 39.23 2wtr s TYR 144 CO -0.04 -0.45 0.14 -2.00 -1.11 0.00 0.00 175.55 172.09 2wtr s GLU 145 N 1.70 3.12 -0.10 -0.62 2.12 -0.03 -1.42 118.70 123.48 2wtr s GLU 145 Ca 0.06 -0.60 -0.00 0.00 0.36 0.00 0.00 54.97 54.78 2wtr s GLU 145 Cb -0.18 -2.85 0.02 0.00 0.26 0.00 0.00 34.13 31.38 2wtr s GLU 145 CO 0.10 0.57 -0.07 0.08 -0.54 0.00 0.00 175.26 175.41 2wtr s VAL 146 N -1.48 0.93 -0.19 3.70 1.01 -0.70 -1.30 120.40 122.37 2wtr s VAL 146 Ca 0.32 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 2wtr s VAL 146 Cb -0.12 -0.95 0.06 0.00 0.00 0.00 0.00 36.38 35.36 2wtr s VAL 146 CO 0.25 0.35 0.06 -0.75 0.00 0.00 0.00 175.10 175.00 2wtr s LYS 147 N 1.60 0.44 0.01 2.72 2.20 -0.23 -0.19 119.74 126.29 2wtr s LYS 147 Ca 0.02 -0.31 -0.16 0.00 -0.36 0.00 0.00 55.97 55.16 2wtr s LYS 147 Cb -0.13 -2.01 -0.06 0.00 -1.51 0.00 0.00 37.83 34.12 2wtr s LYS 147 CO -0.06 -0.66 0.46 0.00 -0.36 0.00 0.00 175.35 174.73 2wtr s ALA 148 N 1.96 3.65 0.09 3.13 0.00 -1.15 -0.74 121.76 128.70 2wtr s ALA 148 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 51.96 51.80 2wtr s ALA 148 Cb -0.17 -2.48 0.01 0.00 0.00 0.00 0.00 23.12 20.48 2wtr s ALA 148 CO -0.09 0.42 0.16 1.97 0.00 0.00 0.00 175.76 178.22 2wtr n PHE 149 N 1.94 -1.00 -3.73 0.00 1.16 -0.76 -1.41 117.46 113.65 2wtr n PHE 149 Ca -0.12 -0.54 -0.13 0.00 -1.87 0.00 0.00 57.45 54.79 2wtr n PHE 149 Cb 0.52 0.19 -0.14 0.00 -1.61 0.00 0.00 39.48 38.44 2wtr n PHE 149 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2wtr s ALA 151 N 1.33 -1.53 0.08 0.00 0.00 -0.15 -4.89 121.76 116.60 2wtr s ALA 151 Ca -0.08 0.10 0.20 0.00 0.00 0.00 0.00 51.96 52.17 2wtr s ALA 151 Cb -0.11 0.70 0.64 0.00 0.00 0.00 0.00 23.12 24.35 2wtr s ALA 151 CO -0.08 -0.99 1.71 1.49 0.00 0.00 0.00 175.76 177.89 2wtr h GLU 152 N 2.00 0.00 -2.46 0.00 4.57 -1.92 -2.08 114.58 114.69 2wtr h GLU 152 Ca -0.23 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.03 2wtr h GLU 152 Cb 1.24 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 29.69 2wtr h GLU 152 CO 0.26 0.34 0.42 1.21 -1.18 0.00 0.00 179.01 180.06 2wtr s ASN 153 N -6.35 -0.40 0.67 1.04 2.47 -1.26 -4.71 114.94 106.40 2wtr s ASN 153 Ca 0.01 -0.03 0.42 0.00 0.42 0.00 0.00 52.86 53.68 2wtr s ASN 153 Cb 0.10 0.45 2.31 0.00 -1.45 0.00 0.00 41.25 42.66 2wtr s ASN 153 CO 0.68 -0.73 2.31 -0.07 -3.72 0.00 0.00 177.10 175.57 2wtr h LEU 154 N 2.00 0.00 0.11 3.21 3.38 -2.00 -1.69 115.31 120.32 2wtr h LEU 154 Ca -0.25 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.50 2wtr h LEU 154 Cb 1.26 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.03 2wtr h LEU 154 CO 0.32 0.00 -0.94 -0.33 0.09 0.00 0.00 178.44 177.59 2wtr h GLU 155 N 0.00 0.44 -6.42 1.13 5.08 -2.00 -3.46 114.58 109.34 2wtr h GLU 155 Ca 0.00 -0.62 -0.62 0.00 -1.00 0.00 0.00 59.36 57.12 2wtr h GLU 155 Cb 0.09 0.21 0.06 0.00 0.50 0.00 0.00 28.75 29.62 2wtr h GLU 155 CO -0.00 1.26 0.60 -1.91 -1.00 0.00 0.00 179.01 177.97 2wtr n GLU 156 N -4.03 1.70 -1.87 2.33 4.07 -0.64 -4.89 120.64 117.31 2wtr n GLU 156 Ca -0.13 0.61 -0.38 0.00 -0.06 0.00 0.00 57.16 57.20 2wtr n GLU 156 Cb 0.85 -2.29 0.03 0.00 -0.06 0.00 0.00 31.44 29.97 2wtr n GLU 156 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2wtr s LYS 157 N 0.44 3.21 0.86 5.31 1.02 -1.26 -4.87 119.74 124.44 2wtr s LYS 157 Ca 0.79 2.13 -0.09 0.00 0.02 0.00 0.00 55.97 58.81 2wtr s LYS 157 Cb -0.78 -2.25 0.17 0.00 -0.52 0.00 0.00 37.83 34.45 2wtr s LYS 157 CO 0.44 -1.11 1.18 0.42 -0.92 0.00 0.00 175.35 175.36 2wtr s ILE 158 N -1.36 2.06 -0.09 2.17 1.01 -1.26 -5.00 121.20 118.72 2wtr s ILE 158 Ca 0.71 -0.26 -0.04 0.00 0.00 0.00 0.00 60.65 61.07 2wtr s ILE 158 Cb -0.38 -2.80 0.05 0.00 0.01 0.00 0.00 42.46 39.34 2wtr s ILE 158 CO 0.44 0.00 0.19 -2.28 0.00 0.00 0.00 174.94 173.29 2wtr s HIS 159 N -3.56 -0.25 0.64 3.97 2.46 -1.26 -5.04 115.29 112.24 2wtr s HIS 159 Ca 0.70 0.69 0.36 0.00 0.47 0.00 0.00 55.06 57.29 2wtr s HIS 159 Cb -0.05 -0.16 2.04 0.00 -0.13 0.00 0.00 32.58 34.28 2wtr s HIS 159 CO 0.49 -0.28 2.22 0.87 -2.47 0.00 0.00 174.74 175.58 2wtr h LYS 160 N 8.12 0.00 0.00 2.88 1.57 -1.99 0.35 116.57 127.49 2wtr h LYS 160 Ca -0.19 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.45 2wtr h LYS 160 Cb 1.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 2wtr h LYS 160 CO 0.19 0.00 -0.66 0.00 -0.57 0.00 0.00 179.45 178.41 2wtr h ARG 161 N 0.00 0.00 0.02 3.15 3.08 -2.00 -3.30 114.38 115.33 2wtr h ARG 161 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 2wtr h ARG 161 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2wtr h ARG 161 CO -0.00 0.66 -0.12 -0.91 -1.07 0.00 0.00 179.97 178.53 2wtr h ASN 162 N 0.00 0.08 -4.16 7.04 2.35 -0.74 -3.32 115.58 116.83 2wtr h ASN 162 Ca -0.01 -0.94 -0.45 0.00 -0.55 0.00 0.00 56.30 54.35 2wtr h ASN 162 Cb 1.19 -0.02 0.14 0.00 0.05 0.00 0.00 38.32 39.68 2wtr h ASN 162 CO 0.09 1.01 0.36 -0.94 -1.65 0.00 0.00 177.43 176.30 2wtr s SER 163 N -6.28 3.28 -0.20 5.81 1.04 -0.88 -4.57 113.70 111.89 2wtr s SER 163 Ca -0.18 0.59 -0.05 0.00 0.48 0.00 0.00 55.95 56.80 2wtr s SER 163 Cb -0.02 -0.89 0.10 0.00 0.10 0.00 0.00 66.02 65.31 2wtr s SER 163 CO 0.71 -2.65 0.37 0.54 0.98 0.00 0.00 173.24 173.19 2wtr s VAL 164 N -3.57 -0.58 -0.28 5.02 0.11 -0.50 -4.28 120.40 116.32 2wtr s VAL 164 Ca 0.68 0.09 -0.13 0.00 -2.93 0.00 0.00 61.98 59.70 2wtr s VAL 164 Cb -0.09 -0.68 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 2wtr s VAL 164 CO 0.52 -0.00 0.28 -0.13 -3.33 0.00 0.00 175.10 172.44 2wtr s ARG 165 N 2.54 3.98 0.37 1.54 0.52 -1.26 -2.96 118.95 123.69 2wtr s ARG 165 Ca 0.04 -0.15 0.08 0.00 -0.52 0.00 0.00 55.73 55.18 2wtr s ARG 165 Cb -0.13 -3.66 -0.02 0.00 0.52 0.00 0.00 34.95 31.65 2wtr s ARG 165 CO -0.13 -0.23 0.35 -0.51 0.02 0.00 0.00 175.30 174.79 2wtr s LEU 166 N 1.91 3.53 -0.31 2.53 1.02 0.73 -4.98 118.68 123.11 2wtr s LEU 166 Ca 0.11 -0.58 -0.02 0.00 0.02 0.00 0.00 54.13 53.65 2wtr s LEU 166 Cb -0.16 -2.19 0.11 0.00 0.02 0.00 0.00 46.19 43.97 2wtr s LEU 166 CO 0.10 -0.50 0.15 -0.69 0.02 0.00 0.00 176.35 175.44 2wtr s VAL 167 N -2.37 0.14 0.13 -1.59 1.01 -1.26 -1.73 120.40 114.73 2wtr s VAL 167 Ca 0.45 -1.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.17 2wtr s VAL 167 Cb -0.05 -1.13 -0.07 0.00 0.00 0.00 0.00 36.38 35.14 2wtr s VAL 167 CO 0.28 -0.79 0.51 0.27 0.00 0.00 0.00 175.10 175.36 2wtr s ILE 168 N 1.73 4.92 -0.03 2.22 -4.36 -0.51 -5.00 121.20 120.18 2wtr s ILE 168 Ca 0.12 0.71 -0.03 0.00 -0.26 0.00 0.00 60.65 61.18 2wtr s ILE 168 Cb -0.18 -3.70 -0.04 0.00 1.25 0.00 0.00 42.46 39.78 2wtr s ILE 168 CO -0.25 0.24 0.16 -0.13 0.24 0.00 0.00 174.94 175.20 2wtr s ARG 169 N -1.99 3.40 -0.34 0.37 0.52 -1.18 -3.70 118.95 116.03 2wtr s ARG 169 Ca 0.37 -0.30 -0.07 0.00 -0.52 0.00 0.00 55.73 55.20 2wtr s ARG 169 Cb -0.14 -3.09 0.03 0.00 0.52 0.00 0.00 34.95 32.27 2wtr s ARG 169 CO 0.19 0.69 0.12 0.21 0.02 0.00 0.00 175.30 176.53 2wtr s LYS 170 N -1.75 2.72 0.02 3.54 2.20 -1.26 -0.81 119.74 124.40 2wtr s LYS 170 Ca 0.24 -1.12 -0.09 0.00 -0.36 0.00 0.00 55.97 54.65 2wtr s LYS 170 Cb -0.12 -3.49 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 2wtr s LYS 170 CO 0.15 -0.64 0.32 0.14 -0.36 0.00 0.00 175.35 174.97 2wtr s VAL 171 N 1.44 5.21 0.35 4.02 -7.23 -0.90 -2.51 120.40 120.79 2wtr s VAL 171 Ca -0.01 0.36 -0.06 0.00 -1.81 0.00 0.00 61.98 60.47 2wtr s VAL 171 Cb -0.19 -3.60 -0.05 0.00 0.56 0.00 0.00 36.38 33.10 2wtr s VAL 171 CO 0.03 0.39 0.65 -1.58 -0.31 0.00 0.00 175.10 174.29 2wtr s GLN 172 N -1.64 3.65 -0.06 4.82 2.00 -1.26 0.21 119.66 127.39 2wtr s GLN 172 Ca 0.28 0.14 -0.30 0.00 -2.00 0.00 0.00 55.36 53.48 2wtr s GLN 172 Cb -0.14 -2.54 0.09 0.00 0.80 0.00 0.00 33.01 31.22 2wtr s GLN 172 CO 0.15 0.08 0.77 -0.47 -0.50 0.00 0.00 175.29 175.32 2wtr s TYR 173 N -2.27 -0.55 -0.29 1.67 5.04 -1.18 -3.36 117.35 116.41 2wtr s TYR 173 Ca 0.46 0.86 -0.15 0.00 -2.44 0.00 0.00 57.07 55.80 2wtr s TYR 173 Cb -0.10 0.44 0.14 0.00 0.35 0.00 0.00 41.96 42.79 2wtr s TYR 173 CO 0.33 -0.56 0.91 0.00 -1.34 0.00 0.00 175.55 174.89 2wtr s ALA 174 N -1.55 -2.37 0.94 3.97 0.00 -1.26 -4.56 121.76 116.93 2wtr s ALA 174 Ca -0.06 2.19 -0.10 0.00 0.00 0.00 0.00 51.96 53.98 2wtr s ALA 174 Cb -0.00 -1.82 0.16 0.00 0.00 0.00 0.00 23.12 21.46 2wtr s ALA 174 CO 0.04 -0.65 1.13 -2.14 0.00 0.00 0.00 175.76 174.15 2wtr s PRO 175 N 1.97 0.83 0.00 0.00 0.02 -1.26 -5.03 135.00 131.53 2wtr s PRO 175 Ca -0.06 1.48 0.00 0.00 0.02 0.00 0.00 61.00 62.43 2wtr s PRO 175 Cb -0.06 -1.71 0.00 0.00 0.02 0.00 0.00 34.50 32.75 2wtr s PRO 175 CO -0.17 -2.74 0.00 0.39 -0.33 0.00 0.00 177.00 174.15 2wtr n GLU 176 N -4.30 0.78 -2.12 5.54 4.71 -1.26 -5.05 120.64 118.94 2wtr n GLU 176 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.26 2wtr n GLU 176 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.95 2wtr n GLU 176 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2wtr n ARG 177 N -0.17 -4.96 -2.15 3.49 1.74 -1.26 -5.13 116.66 108.22 2wtr n ARG 177 Ca 0.00 3.52 -0.22 0.00 -0.77 0.00 0.00 57.85 60.38 2wtr n ARG 177 Cb 0.00 -4.01 0.13 0.00 -1.02 0.00 0.00 32.46 27.56 2wtr n ARG 177 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2wtr n PRO 180 N 1.92 -0.38 -1.67 5.56 -0.02 -1.26 -5.14 135.00 134.01 2wtr n PRO 180 Ca 0.00 -2.24 -0.45 0.00 -2.02 0.00 0.00 63.50 58.79 2wtr n PRO 180 Cb 0.00 -0.78 -0.04 0.00 -0.02 0.00 0.00 33.50 32.66 2wtr n PRO 180 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wtr n GLN 181 N -2.91 2.51 -1.67 -0.52 1.13 -1.26 -4.87 117.38 109.79 2wtr n GLN 181 Ca 0.15 0.92 -0.50 0.00 -1.94 0.00 0.00 57.00 55.63 2wtr n GLN 181 Cb 0.52 -2.80 -0.05 0.00 0.11 0.00 0.00 30.24 28.02 2wtr n GLN 181 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2wtr n PRO 182 N 6.52 1.96 -1.61 -1.09 -0.04 -1.26 -4.88 135.00 134.60 2wtr n PRO 182 Ca 0.21 0.71 -0.39 0.00 -0.04 0.00 0.00 63.50 63.99 2wtr n PRO 182 Cb 0.34 -2.56 0.04 0.00 -0.04 0.00 0.00 33.50 31.28 2wtr n PRO 182 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2wtr n THR 183 N 5.24 3.17 -1.98 0.52 5.66 -1.26 -4.48 114.28 121.15 2wtr n THR 183 Ca 0.24 -0.50 -0.28 0.00 -3.05 0.00 0.00 64.05 60.46 2wtr n THR 183 Cb 0.27 -1.16 0.10 0.00 -1.55 0.00 0.00 70.33 67.99 2wtr n THR 183 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wtr s ALA 184 N -1.44 2.70 -0.00 1.79 0.00 -1.26 -4.75 121.76 118.80 2wtr s ALA 184 Ca 0.71 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.86 2wtr s ALA 184 Cb -0.46 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 2wtr s ALA 184 CO 0.51 -1.74 -0.09 -1.21 0.00 0.00 0.00 175.76 173.23 2wtr s GLU 185 N -5.56 0.68 0.25 0.00 0.41 0.10 -5.00 118.70 109.58 2wtr s GLU 185 Ca 0.64 -0.35 0.01 0.00 -0.41 0.00 0.00 54.97 54.86 2wtr s GLU 185 Cb -0.10 -0.65 -0.05 0.00 -1.78 0.00 0.00 34.13 31.55 2wtr s GLU 185 CO 0.49 0.18 0.10 0.95 -0.49 0.00 0.00 175.26 176.48 2wtr s THR 186 N -0.29 0.46 -0.30 3.63 -4.23 -1.26 -1.33 115.64 112.32 2wtr s THR 186 Ca 0.02 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.41 2wtr s THR 186 Cb -0.04 -2.60 0.16 0.00 1.34 0.00 0.00 72.50 71.36 2wtr s THR 186 CO -0.00 -0.01 0.87 0.28 -0.54 0.00 0.00 174.62 175.22 2wtr s THR 187 N -3.82 -0.66 -0.08 3.99 -1.32 -0.43 -4.98 115.64 108.33 2wtr s THR 187 Ca 0.38 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.70 2wtr s THR 187 Cb 0.08 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.02 2wtr s THR 187 CO 0.13 0.00 0.39 -0.13 -2.21 0.00 0.00 174.62 172.80 2wtr s ARG 188 N 2.64 4.12 -0.07 7.08 0.52 -1.26 -1.83 118.95 130.15 2wtr s ARG 188 Ca -0.01 0.32 -0.03 0.00 -0.52 0.00 0.00 55.73 55.49 2wtr s ARG 188 Cb -0.09 -3.34 0.04 0.00 0.52 0.00 0.00 34.95 32.08 2wtr s ARG 188 CO -0.18 0.41 0.16 -0.65 0.02 0.00 0.00 175.30 175.07 2wtr s GLN 189 N -0.15 0.11 -0.30 3.54 -0.21 -0.98 -4.94 119.66 116.72 2wtr s GLN 189 Ca 0.22 0.39 -0.21 0.00 0.02 0.00 0.00 55.36 55.78 2wtr s GLN 189 Cb -0.15 -0.17 -0.01 0.00 1.00 0.00 0.00 33.01 33.68 2wtr s GLN 189 CO 0.10 -0.16 0.66 -0.06 -2.12 0.00 0.00 175.29 173.70 2wtr s PHE 190 N 1.16 3.22 -0.88 0.91 0.40 -1.26 -0.68 117.98 120.85 2wtr s PHE 190 Ca -0.09 0.65 -0.07 0.00 -0.60 0.00 0.00 56.93 56.82 2wtr s PHE 190 Cb -0.11 -3.02 0.22 0.00 0.51 0.00 0.00 43.02 40.62 2wtr s PHE 190 CO -0.06 -0.48 0.79 -0.51 0.70 0.00 0.00 175.22 175.67 2wtr s LEU 191 N 2.66 6.03 -1.57 -0.37 1.43 -1.26 -4.71 118.68 120.89 2wtr s LEU 191 Ca 0.27 -3.24 -0.08 0.00 -1.03 0.00 0.00 54.13 50.05 2wtr s LEU 191 Cb -0.15 -2.06 0.07 0.00 0.03 0.00 0.00 46.19 44.08 2wtr s LEU 191 CO 0.12 -0.35 0.46 0.23 0.23 0.00 0.00 176.35 177.03 2wtr n MET 192 N 3.10 -2.52 -3.94 1.70 2.81 -1.26 -4.83 117.12 112.18 2wtr n MET 192 Ca 0.17 0.30 -0.09 0.00 -1.81 0.00 0.00 57.70 56.28 2wtr n MET 192 Cb 0.40 -4.51 -0.08 0.00 -0.71 0.00 0.00 33.22 28.32 2wtr n MET 192 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2wtr s SER 193 N -3.95 0.17 0.01 7.83 1.04 -1.26 -4.98 113.70 112.57 2wtr s SER 193 Ca 0.30 -0.81 -0.20 0.00 0.48 0.00 0.00 55.95 55.73 2wtr s SER 193 Cb -0.17 0.34 -0.21 0.00 0.10 0.00 0.00 66.02 66.08 2wtr s SER 193 CO 0.94 -0.76 1.14 0.44 0.98 0.00 0.00 173.24 175.99 2wtr h ASP 194 N 2.76 0.51 -2.84 7.02 5.19 -1.91 -3.46 116.42 123.70 2wtr h ASP 194 Ca -0.33 -0.71 -0.60 0.00 -0.62 0.00 0.00 57.03 54.76 2wtr h ASP 194 Cb 1.20 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 40.52 2wtr h ASP 194 CO 0.56 1.15 -0.49 -0.54 -3.12 0.00 0.00 179.24 176.79 2wtr s LYS 195 N -3.41 3.44 0.40 3.56 1.02 -1.26 -5.09 119.74 118.41 2wtr s LYS 195 Ca -0.13 -0.47 -0.16 0.00 0.02 0.00 0.00 55.97 55.23 2wtr s LYS 195 Cb 0.04 -3.02 -0.09 0.00 -0.52 0.00 0.00 37.83 34.24 2wtr s LYS 195 CO 0.81 0.59 0.84 -2.14 -0.92 0.00 0.00 175.35 174.53 2wtr s PRO 196 N -2.66 3.99 -0.38 -1.68 0.02 -1.26 -4.16 135.00 128.87 2wtr s PRO 196 Ca 0.35 0.78 -0.22 0.00 0.02 0.00 0.00 61.00 61.92 2wtr s PRO 196 Cb -0.13 -2.31 0.01 0.00 0.02 0.00 0.00 34.50 32.10 2wtr s PRO 196 CO 0.28 -0.02 0.74 -1.17 -0.33 0.00 0.00 177.00 176.50 2wtr s LEU 197 N -3.45 4.20 -0.55 -5.54 0.20 0.14 -3.03 118.68 110.66 2wtr s LEU 197 Ca 0.56 0.19 -0.18 0.00 0.69 0.00 0.00 54.13 55.39 2wtr s LEU 197 Cb -0.10 -2.94 0.09 0.00 -0.43 0.00 0.00 46.19 42.82 2wtr s LEU 197 CO 0.23 -0.73 0.62 -2.28 -0.29 0.00 0.00 176.35 173.90 2wtr s HIS 198 N 3.01 3.07 0.10 5.38 5.65 -0.03 -2.31 115.29 130.16 2wtr s HIS 198 Ca 0.29 -0.90 -0.18 0.00 0.25 0.00 0.00 55.06 54.51 2wtr s HIS 198 Cb -0.13 -3.78 -0.07 0.00 -1.18 0.00 0.00 32.58 27.42 2wtr s HIS 198 CO 0.17 -1.14 0.57 -1.17 -0.65 0.00 0.00 174.74 172.52 2wtr s LEU 199 N 2.41 4.47 -0.19 8.88 2.96 -0.76 -1.09 118.68 135.36 2wtr s LEU 199 Ca 0.10 1.22 -0.15 0.00 -0.22 0.00 0.00 54.13 55.07 2wtr s LEU 199 Cb -0.24 -3.02 0.05 0.00 0.50 0.00 0.00 46.19 43.49 2wtr s LEU 199 CO 0.07 0.22 0.49 -0.70 -1.32 0.00 0.00 176.35 175.11 2wtr s GLU 200 N -1.37 0.55 0.15 1.98 2.12 -0.44 -1.32 118.70 120.38 2wtr s GLU 200 Ca 0.32 0.74 -0.11 0.00 0.36 0.00 0.00 54.97 56.27 2wtr s GLU 200 Cb -0.18 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.42 2wtr s GLU 200 CO 0.19 -0.09 0.32 0.00 -0.54 0.00 0.00 175.26 175.14 2wtr s ALA 201 N 0.56 -0.28 0.18 6.30 0.00 -0.44 -0.59 121.76 127.48 2wtr s ALA 201 Ca -0.02 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 2wtr s ALA 201 Cb -0.04 0.78 0.04 0.00 0.00 0.00 0.00 23.12 23.90 2wtr s ALA 201 CO -0.03 -0.65 0.53 -1.13 0.00 0.00 0.00 175.76 174.48 2wtr n SER 202 N -0.21 -1.21 -4.18 0.00 3.41 -1.13 -0.72 113.62 109.57 2wtr n SER 202 Ca -0.10 -1.76 -0.11 0.00 -0.26 0.00 0.00 58.87 56.64 2wtr n SER 202 Cb 0.63 2.00 -0.10 0.00 -0.26 0.00 0.00 64.21 66.48 2wtr n SER 202 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2wtr s LEU 203 N 0.00 2.50 0.14 1.04 1.43 -1.26 -1.30 118.68 121.23 2wtr s LEU 203 Ca 0.11 -1.01 0.25 0.00 -1.03 0.00 0.00 54.13 52.45 2wtr s LEU 203 Cb -0.02 -0.11 0.56 0.00 0.03 0.00 0.00 46.19 46.64 2wtr s LEU 203 CO 0.05 -0.45 1.52 -0.90 0.23 0.00 0.00 176.35 176.80 2wtr n ASP 204 N -0.07 0.71 -3.85 2.29 5.75 -1.24 -4.51 116.55 115.62 2wtr n ASP 204 Ca -0.12 0.29 -0.10 0.00 -0.01 0.00 0.00 54.79 54.86 2wtr n ASP 204 Cb 0.61 -0.22 -0.08 0.00 -1.03 0.00 0.00 41.12 40.40 2wtr n ASP 204 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2wtr s LYS 205 N -3.13 0.75 -0.20 0.11 1.02 -1.26 -4.86 119.74 112.16 2wtr s LYS 205 Ca 0.08 -0.77 -0.04 0.00 0.02 0.00 0.00 55.97 55.26 2wtr s LYS 205 Cb 0.13 0.31 -0.20 0.00 -0.52 0.00 0.00 37.83 37.55 2wtr s LYS 205 CO 0.67 -0.22 0.02 -1.91 -0.92 0.00 0.00 175.35 172.98 2wtr n GLU 206 N 0.38 0.68 -3.68 1.68 2.13 -1.26 -4.84 120.64 115.73 2wtr n GLU 206 Ca -0.17 0.23 -0.39 0.00 0.66 0.00 0.00 57.16 57.49 2wtr n GLU 206 Cb 0.60 -1.61 -0.12 0.00 0.27 0.00 0.00 31.44 30.59 2wtr n GLU 206 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2wtr s ILE 207 N -2.52 4.23 0.00 6.31 1.01 -1.26 -0.66 121.20 128.30 2wtr s ILE 207 Ca -0.30 -0.84 0.01 0.00 0.00 0.00 0.00 60.65 59.52 2wtr s ILE 207 Cb 0.08 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 2wtr s ILE 207 CO 0.66 -0.11 0.04 -0.31 0.00 0.00 0.00 174.94 175.22 2wtr s TYR 208 N 1.51 3.17 0.26 3.97 1.51 0.95 -4.94 117.35 123.78 2wtr s TYR 208 Ca 0.01 0.14 0.05 0.00 -1.01 0.00 0.00 57.07 56.26 2wtr s TYR 208 Cb -0.19 -1.69 -0.03 0.00 -0.11 0.00 0.00 41.96 39.94 2wtr s TYR 208 CO 0.05 0.51 0.36 0.71 -1.11 0.00 0.00 175.55 176.07 2wtr s TYR 209 N -1.16 3.35 0.39 2.71 1.51 -1.26 -0.64 117.35 122.25 2wtr s TYR 209 Ca 0.22 -0.07 -0.27 0.00 -1.01 0.00 0.00 57.07 55.94 2wtr s TYR 209 Cb -0.12 -1.63 -0.11 0.00 -0.11 0.00 0.00 41.96 40.00 2wtr s TYR 209 CO 0.13 0.37 1.41 0.72 -1.11 0.00 0.00 175.55 177.06 2wtr n HIS 210 N -1.43 2.69 0.00 2.71 8.25 -1.20 -1.92 115.22 124.33 2wtr n HIS 210 Ca -0.07 0.48 0.00 0.00 -0.26 0.00 0.00 57.72 57.86 2wtr n HIS 210 Cb 0.57 -2.48 0.00 0.00 1.12 0.00 0.00 29.99 29.21 2wtr n HIS 210 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wtr n GLY 211 N 0.58 2.95 3.73 -1.41 0.00 -1.26 -4.89 105.19 104.90 2wtr n GLY 211 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2wtr n GLY 211 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wtr s GLU 212 N -0.12 4.60 0.17 1.61 2.12 -0.81 -5.00 118.70 121.28 2wtr s GLU 212 Ca 0.00 1.64 -0.30 0.00 0.36 0.00 0.00 54.97 56.67 2wtr s GLU 212 Cb 0.00 -3.32 -0.08 0.00 0.26 0.00 0.00 34.13 30.99 2wtr s GLU 212 CO 0.00 0.07 1.21 -2.14 -0.54 0.00 0.00 175.26 173.86 2wtr s PRO 213 N -0.07 4.48 -0.20 4.30 0.02 -1.26 -4.67 135.00 137.59 2wtr s PRO 213 Ca 0.50 1.88 -0.11 0.00 0.02 0.00 0.00 61.00 63.28 2wtr s PRO 213 Cb -0.27 -3.25 -0.05 0.00 0.02 0.00 0.00 34.50 30.95 2wtr s PRO 213 CO 0.33 -0.12 0.19 0.42 -0.33 0.00 0.00 177.00 177.48 2wtr s ILE 214 N 0.09 5.36 -0.31 2.83 1.01 0.84 -4.92 121.20 126.11 2wtr s ILE 214 Ca 0.54 0.29 -0.10 0.00 0.00 0.00 0.00 60.65 61.37 2wtr s ILE 214 Cb -0.33 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 2wtr s ILE 214 CO 0.36 0.39 0.17 -0.44 0.00 0.00 0.00 174.94 175.42 2wtr s SER 215 N 0.61 5.69 -0.24 3.58 0.01 -1.26 -1.52 113.70 120.56 2wtr s SER 215 Ca 0.10 -0.47 -0.13 0.00 1.31 0.00 0.00 55.95 56.77 2wtr s SER 215 Cb -0.12 -2.04 -0.05 0.00 0.21 0.00 0.00 66.02 64.02 2wtr s SER 215 CO 0.01 -0.19 0.26 -0.69 0.41 0.00 0.00 173.24 173.04 2wtr s VAL 216 N 1.65 5.29 -0.85 3.43 1.01 0.59 -3.70 120.40 127.81 2wtr s VAL 216 Ca 0.05 0.37 -0.19 0.00 0.00 0.00 0.00 61.98 62.21 2wtr s VAL 216 Cb -0.17 -3.59 0.13 0.00 0.00 0.00 0.00 36.38 32.75 2wtr s VAL 216 CO 0.07 0.28 1.04 0.20 0.00 0.00 0.00 175.10 176.70 2wtr s ASN 217 N 1.23 6.54 -0.01 3.32 0.01 -0.42 -1.15 114.94 124.46 2wtr s ASN 217 Ca 0.11 -1.89 -0.25 0.00 -0.71 0.00 0.00 52.86 50.13 2wtr s ASN 217 Cb -0.14 -2.38 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 2wtr s ASN 217 CO 0.07 -1.09 0.76 -0.69 -1.51 0.00 0.00 177.10 174.64 2wtr s VAL 218 N 2.69 4.89 -0.11 1.60 1.01 -0.62 -2.82 120.40 127.04 2wtr s VAL 218 Ca 0.28 1.59 -0.04 0.00 0.00 0.00 0.00 61.98 63.82 2wtr s VAL 218 Cb -0.09 -4.10 0.05 0.00 0.00 0.00 0.00 36.38 32.25 2wtr s VAL 218 CO -0.05 0.29 0.21 -2.28 0.00 0.00 0.00 175.10 173.27 2wtr s HIS 219 N 0.43 -0.30 -0.18 5.22 5.04 0.24 -1.53 115.29 124.21 2wtr s HIS 219 Ca 0.40 0.78 -0.02 0.00 -1.54 0.00 0.00 55.06 54.68 2wtr s HIS 219 Cb -0.19 -0.14 0.06 0.00 0.04 0.00 0.00 32.58 32.34 2wtr s HIS 219 CO 0.21 -0.31 0.02 0.08 -2.34 0.00 0.00 174.74 172.41 2wtr s VAL 220 N 2.28 0.64 -0.62 0.89 1.01 -0.01 -1.32 120.40 123.27 2wtr s VAL 220 Ca 0.01 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.23 2wtr s VAL 220 Cb -0.12 -1.07 0.08 0.00 0.00 0.00 0.00 36.38 35.27 2wtr s VAL 220 CO -0.07 -0.13 0.85 -0.89 0.00 0.00 0.00 175.10 174.86 2wtr s THR 221 N 1.81 4.54 -0.84 3.92 2.01 -0.25 -1.30 115.64 125.53 2wtr s THR 221 Ca -0.01 -0.58 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 2wtr s THR 221 Cb -0.17 -4.58 0.09 0.00 0.01 0.00 0.00 72.50 67.85 2wtr s THR 221 CO -0.07 -1.28 1.13 0.21 -0.69 0.00 0.00 174.62 173.92 2wtr s ASN 222 N 3.57 6.43 0.00 3.53 2.47 -1.00 -0.85 114.94 129.08 2wtr s ASN 222 Ca 0.18 -1.51 0.22 0.00 0.42 0.00 0.00 52.86 52.16 2wtr s ASN 222 Cb -0.20 -2.44 0.88 0.00 -1.45 0.00 0.00 41.25 38.04 2wtr s ASN 222 CO 0.09 -1.30 1.62 0.59 -3.72 0.00 0.00 177.10 174.38 2wtr n ASN 223 N 7.46 1.35 -4.97 -4.21 3.02 -1.17 -0.87 115.26 115.87 2wtr n ASN 223 Ca 0.15 -1.62 -0.20 0.00 -0.03 0.00 0.00 54.58 52.89 2wtr n ASN 223 Cb 0.48 -0.07 0.03 0.00 -0.61 0.00 0.00 39.78 39.61 2wtr n ASN 223 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2wtr s THR 224 N -1.86 2.71 -2.41 3.41 -4.23 -1.26 -4.40 115.64 107.60 2wtr s THR 224 Ca 0.33 -0.82 0.29 0.00 -1.18 0.00 0.00 61.69 60.31 2wtr s THR 224 Cb 0.17 -2.89 0.60 0.00 1.34 0.00 0.00 72.50 71.72 2wtr s THR 224 CO 0.27 0.00 1.82 -0.46 -0.54 0.00 0.00 174.62 175.70 2wtr n ASN 225 N -2.18 1.26 -4.85 3.99 0.23 -1.26 -2.04 115.26 110.40 2wtr n ASN 225 Ca 0.09 -1.41 -0.31 0.00 -0.53 0.00 0.00 54.58 52.42 2wtr n ASN 225 Cb 0.60 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.27 2wtr n ASN 225 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2wtr s LYS 226 N -2.01 3.87 -0.13 -3.83 -0.14 -1.26 -4.71 119.74 111.53 2wtr s LYS 226 Ca 0.39 0.78 -0.01 0.00 -1.36 0.00 0.00 55.97 55.77 2wtr s LYS 226 Cb 0.21 -2.22 -0.02 0.00 -1.68 0.00 0.00 37.83 34.12 2wtr s LYS 226 CO 0.34 -0.21 -0.09 0.99 -0.76 0.00 0.00 175.35 175.62 2wtr s THR 227 N -2.58 3.43 -0.19 2.17 2.01 -1.26 -3.85 115.64 115.38 2wtr s THR 227 Ca 0.56 -0.53 -0.25 0.00 0.31 0.00 0.00 61.69 61.77 2wtr s THR 227 Cb -0.10 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 2wtr s THR 227 CO 0.33 0.52 0.85 -0.69 -0.69 0.00 0.00 174.62 174.94 2wtr s VAL 228 N 0.17 4.85 0.03 3.82 1.01 -0.98 -1.70 120.40 127.60 2wtr s VAL 228 Ca -0.05 1.66 0.02 0.00 0.00 0.00 0.00 61.98 63.60 2wtr s VAL 228 Cb -0.14 -4.15 -0.25 0.00 0.00 0.00 0.00 36.38 31.83 2wtr s VAL 228 CO 0.04 -0.01 0.94 0.50 0.00 0.00 0.00 175.10 176.57 2wtr h LYS 229 N 7.41 0.15 -2.88 2.72 3.64 -1.47 -1.83 116.57 124.31 2wtr h LYS 229 Ca -0.27 -0.26 0.03 0.00 -1.27 0.00 0.00 60.65 58.88 2wtr h LYS 229 Cb 1.12 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2wtr h LYS 229 CO 0.85 1.00 0.34 -1.59 -2.27 0.00 0.00 179.45 177.78 2wtr s LYS 230 N -2.64 1.97 -0.09 1.90 -2.85 -1.21 -4.28 119.74 112.54 2wtr s LYS 230 Ca -0.06 -1.24 -0.03 0.00 -1.00 0.00 0.00 55.97 53.64 2wtr s LYS 230 Cb 0.08 0.57 0.05 0.00 -2.06 0.00 0.00 37.83 36.46 2wtr s LYS 230 CO 0.84 -0.92 0.15 0.42 0.10 0.00 0.00 175.35 175.94 2wtr s ILE 231 N -2.52 -0.24 -0.34 3.79 1.01 0.70 -2.20 121.20 121.40 2wtr s ILE 231 Ca 0.16 0.32 -0.14 0.00 0.00 0.00 0.00 60.65 60.99 2wtr s ILE 231 Cb -0.05 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 2wtr s ILE 231 CO 0.09 0.12 0.28 -0.54 0.00 0.00 0.00 174.94 174.89 2wtr s LYS 232 N 2.28 3.51 -0.04 2.79 1.02 -0.30 -0.82 119.74 128.18 2wtr s LYS 232 Ca 0.03 -0.57 -0.08 0.00 0.02 0.00 0.00 55.97 55.38 2wtr s LYS 232 Cb -0.12 -3.81 -0.05 0.00 -0.52 0.00 0.00 37.83 33.33 2wtr s LYS 232 CO -0.06 -0.48 0.24 0.42 -0.92 0.00 0.00 175.35 174.55 2wtr s ILE 233 N 1.82 5.34 -0.28 2.17 -1.09 -0.47 -1.80 121.20 126.89 2wtr s ILE 233 Ca 0.08 0.27 -0.21 0.00 -2.23 0.00 0.00 60.65 58.56 2wtr s ILE 233 Cb -0.17 -3.53 0.09 0.00 -1.58 0.00 0.00 42.46 37.28 2wtr s ILE 233 CO 0.11 0.49 0.81 -0.94 -1.23 0.00 0.00 174.94 174.18 2wtr s SER 234 N -1.37 -0.71 0.09 3.58 1.04 -1.01 -0.99 113.70 114.32 2wtr s SER 234 Ca 0.22 1.26 -0.18 0.00 0.48 0.00 0.00 55.95 57.73 2wtr s SER 234 Cb -0.13 1.28 -0.07 0.00 0.10 0.00 0.00 66.02 67.20 2wtr s SER 234 CO 0.11 -0.21 0.56 -0.69 0.98 0.00 0.00 173.24 174.00 2wtr s VAL 235 N 0.86 4.77 -0.05 5.02 1.01 -0.76 -0.08 120.40 131.17 2wtr s VAL 235 Ca -0.04 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.08 2wtr s VAL 235 Cb -0.05 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.49 2wtr s VAL 235 CO -0.09 0.49 -0.08 -0.13 0.00 0.00 0.00 175.10 175.29 2wtr s ARG 236 N -1.30 1.13 0.07 2.72 0.52 0.21 -1.60 118.95 120.69 2wtr s ARG 236 Ca 0.31 -0.24 -0.09 0.00 -0.52 0.00 0.00 55.73 55.19 2wtr s ARG 236 Cb -0.18 -1.02 -0.06 0.00 0.52 0.00 0.00 34.95 34.21 2wtr s ARG 236 CO 0.19 -0.01 0.37 -1.14 0.02 0.00 0.00 175.30 174.73 2wtr s GLN 237 N 0.70 3.71 -0.07 3.54 0.74 -0.25 -1.44 119.66 126.60 2wtr s GLN 237 Ca -0.11 0.11 0.00 0.00 0.05 0.00 0.00 55.36 55.41 2wtr s GLN 237 Cb -0.14 -3.01 0.02 0.00 1.10 0.00 0.00 33.01 30.98 2wtr s GLN 237 CO 0.01 0.58 -0.05 0.71 -0.55 0.00 0.00 175.29 175.99 2wtr s TYR 238 N -1.39 0.98 -0.14 1.67 1.51 0.02 -2.14 117.35 117.86 2wtr s TYR 238 Ca 0.32 -0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 56.02 2wtr s TYR 238 Cb -0.14 -0.86 0.04 0.00 -0.11 0.00 0.00 41.96 40.90 2wtr s TYR 238 CO 0.18 -0.29 0.00 0.00 -1.11 0.00 0.00 175.55 174.33 2wtr s ALA 239 N 1.24 1.00 -0.22 3.71 0.00 -0.68 -0.79 121.76 126.02 2wtr s ALA 239 Ca -0.05 -0.51 -0.10 0.00 0.00 0.00 0.00 51.96 51.30 2wtr s ALA 239 Cb -0.14 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 2wtr s ALA 239 CO -0.02 -0.80 0.14 -0.51 0.00 0.00 0.00 175.76 174.57 2wtr s ASP 240 N 1.85 6.08 -0.39 0.00 1.01 -0.47 -0.71 116.67 124.04 2wtr s ASP 240 Ca 0.02 0.14 -0.23 0.00 0.71 0.00 0.00 52.55 53.18 2wtr s ASP 240 Cb -0.15 -2.08 0.02 0.00 1.01 0.00 0.00 42.92 41.72 2wtr s ASP 240 CO -0.07 0.11 0.80 -0.63 0.21 0.00 0.00 175.17 175.59 2wtr s ILE 241 N 0.79 4.68 -1.27 0.77 -1.09 0.30 -1.58 121.20 123.79 2wtr s ILE 241 Ca 0.07 0.77 0.19 0.00 -2.23 0.00 0.00 60.65 59.45 2wtr s ILE 241 Cb -0.13 -4.26 0.66 0.00 -1.58 0.00 0.00 42.46 37.15 2wtr s ILE 241 CO 0.02 -0.54 1.56 0.00 -1.23 0.00 0.00 174.94 174.75 2wtr s LEU 243 N -1.60 1.22 0.00 0.00 1.43 -1.25 -4.79 118.68 113.69 2wtr s LEU 243 Ca 0.48 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 2wtr s LEU 243 Cb 0.29 0.77 0.00 0.00 0.03 0.00 0.00 46.19 47.28 2wtr s LEU 243 CO 0.25 -0.16 0.00 0.33 0.23 0.00 0.00 176.35 177.00 2wtr n PHE 244 N 2.55 0.00 -3.35 0.29 7.35 -1.26 -4.45 117.46 118.60 2wtr n PHE 244 Ca -0.15 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.40 2wtr n PHE 244 Cb 0.58 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.34 2wtr n PHE 244 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2wtr s ASN 245 N 0.00 0.90 0.33 -2.13 3.04 -1.26 -5.14 114.94 110.69 2wtr s ASN 245 Ca 0.00 -1.08 -0.29 0.00 0.04 0.00 0.00 52.86 51.53 2wtr s ASN 245 Cb 0.00 0.77 -0.11 0.00 -1.54 0.00 0.00 41.25 40.37 2wtr s ASN 245 CO 0.00 -0.30 1.55 -0.89 -3.04 0.00 0.00 177.10 174.41 2wtr s THR 246 N 1.91 2.04 0.05 -5.21 2.01 -1.26 -4.79 115.64 110.40 2wtr s THR 246 Ca 0.14 0.04 -0.28 0.00 0.31 0.00 0.00 61.69 61.90 2wtr s THR 246 Cb -0.13 -3.03 0.09 0.00 0.01 0.00 0.00 72.50 69.44 2wtr s THR 246 CO -0.16 0.01 0.96 0.00 -0.69 0.00 0.00 174.62 174.74 2wtr s ALA 247 N -0.54 -1.80 -0.15 7.40 0.00 -1.13 -4.96 121.76 120.58 2wtr s ALA 247 Ca 0.58 0.65 -0.03 0.00 0.00 0.00 0.00 51.96 53.16 2wtr s ALA 247 Cb -0.47 0.48 0.05 0.00 0.00 0.00 0.00 23.12 23.18 2wtr s ALA 247 CO 0.55 -0.86 0.03 -0.65 0.00 0.00 0.00 175.76 174.84 2wtr s GLN 248 N -3.10 0.57 0.20 0.00 1.11 -1.26 -0.54 119.66 116.63 2wtr s GLN 248 Ca 0.09 -0.22 -0.02 0.00 0.01 0.00 0.00 55.36 55.22 2wtr s GLN 248 Cb -0.01 -1.73 -0.05 0.00 -1.01 0.00 0.00 33.01 30.21 2wtr s GLN 248 CO -0.04 -0.54 0.41 0.71 0.01 0.00 0.00 175.29 175.84 2wtr s TYR 249 N 1.93 3.48 -0.12 0.91 1.51 0.11 -4.96 117.35 120.22 2wtr s TYR 249 Ca 0.01 0.42 -0.09 0.00 -1.01 0.00 0.00 57.07 56.41 2wtr s TYR 249 Cb -0.15 -1.91 0.04 0.00 -0.11 0.00 0.00 41.96 39.82 2wtr s TYR 249 CO -0.07 0.37 0.29 -1.59 -1.11 0.00 0.00 175.55 173.44 2wtr s LYS 250 N -3.20 0.31 -0.25 -0.62 -2.85 -1.26 -1.68 119.74 110.18 2wtr s LYS 250 Ca 0.40 0.49 -0.15 0.00 -1.00 0.00 0.00 55.97 55.71 2wtr s LYS 250 Cb -0.11 0.06 0.07 0.00 -2.06 0.00 0.00 37.83 35.79 2wtr s LYS 250 CO 0.28 -0.09 0.61 0.00 0.10 0.00 0.00 175.35 176.25 2wtr s PRO 252 N 1.44 4.22 0.00 0.00 0.02 -1.26 -1.09 135.00 138.33 2wtr s PRO 252 Ca -0.09 2.02 0.23 0.00 0.02 0.00 0.00 61.00 63.19 2wtr s PRO 252 Cb -0.06 -3.81 0.19 0.00 0.02 0.00 0.00 34.50 30.84 2wtr s PRO 252 CO -0.16 -0.74 1.25 1.33 -0.33 0.00 0.00 177.00 178.35 2wtr n VAL 253 N 5.21 0.02 -3.62 3.83 0.24 -0.63 -4.95 118.33 118.43 2wtr n VAL 253 Ca 0.15 -0.51 -0.10 0.00 -2.04 0.00 0.00 64.34 61.85 2wtr n VAL 253 Cb 0.43 1.47 -0.07 0.00 -1.47 0.00 0.00 33.84 34.20 2wtr n VAL 253 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wtr s ALA 254 N -1.93 -1.96 -0.11 2.33 0.00 -1.20 -3.68 121.76 115.21 2wtr s ALA 254 Ca 0.28 1.81 -0.13 0.00 0.00 0.00 0.00 51.96 53.92 2wtr s ALA 254 Cb 0.20 -1.25 0.03 0.00 0.00 0.00 0.00 23.12 22.10 2wtr s ALA 254 CO 0.29 -0.26 0.34 1.41 0.00 0.00 0.00 175.76 177.55 2wtr s MET 255 N -0.08 0.47 -0.28 0.00 0.00 -1.26 -1.83 119.30 116.31 2wtr s MET 255 Ca 0.02 0.35 -0.01 0.00 0.00 0.00 0.00 55.69 56.05 2wtr s MET 255 Cb -0.04 0.22 0.17 0.00 0.00 0.00 0.00 34.83 35.18 2wtr s MET 255 CO -0.04 -0.08 0.52 -2.00 0.00 0.00 0.00 175.02 173.42 2wtr s GLU 256 N -0.13 0.49 -0.49 4.11 2.12 -0.16 -4.99 118.70 119.65 2wtr s GLU 256 Ca -0.03 0.78 -0.18 0.00 0.36 0.00 0.00 54.97 55.90 2wtr s GLU 256 Cb -0.03 0.17 0.05 0.00 0.26 0.00 0.00 34.13 34.59 2wtr s GLU 256 CO 0.01 -0.69 0.56 -1.21 -0.54 0.00 0.00 175.26 173.39 2wtr s GLU 257 N 2.75 3.10 -0.20 4.30 2.02 -1.26 -1.37 118.70 128.03 2wtr s GLU 257 Ca 0.17 -0.94 -0.17 0.00 0.02 0.00 0.00 54.97 54.05 2wtr s GLU 257 Cb -0.15 -4.08 -0.04 0.00 0.10 0.00 0.00 34.13 29.97 2wtr s GLU 257 CO -0.20 -1.13 0.44 0.00 0.02 0.00 0.00 175.26 174.39 2wtr s ALA 258 N 2.38 3.55 -0.57 5.21 0.00 0.00 -4.95 121.76 127.38 2wtr s ALA 258 Ca 0.13 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2wtr s ALA 258 Cb -0.20 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.23 2wtr s ALA 258 CO 0.11 -0.35 0.59 -0.25 0.00 0.00 0.00 175.76 175.87 2wtr n ASP 259 N 4.57 1.54 -4.73 0.00 10.43 -1.26 -0.21 116.55 126.89 2wtr n ASP 259 Ca -0.07 -1.66 -0.42 0.00 2.57 0.00 0.00 54.79 55.21 2wtr n ASP 259 Cb 0.51 -0.41 -0.03 0.00 1.84 0.00 0.00 41.12 43.03 2wtr n ASP 259 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 2wtr s ASP 260 N 0.33 6.69 0.29 -2.24 1.11 -1.26 -4.70 116.67 116.89 2wtr s ASP 260 Ca 0.00 2.54 0.05 0.00 0.18 0.00 0.00 52.55 55.32 2wtr s ASP 260 Cb 0.00 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.37 2wtr s ASP 260 CO 0.00 -0.72 0.42 -0.89 1.18 0.00 0.00 175.17 175.16 2wtr s THR 261 N 0.67 4.78 -0.25 -1.27 2.01 -1.26 -3.35 115.64 116.98 2wtr s THR 261 Ca 0.64 -0.95 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 2wtr s THR 261 Cb -0.41 -3.69 0.08 0.00 0.01 0.00 0.00 72.50 68.50 2wtr s THR 261 CO 0.35 -0.28 0.09 -0.69 -0.69 0.00 0.00 174.62 173.41 2wtr s VAL 262 N -2.09 0.27 0.69 3.82 1.01 -0.69 -4.98 120.40 118.44 2wtr s VAL 262 Ca 0.39 -0.73 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 2wtr s VAL 262 Cb -0.09 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.24 2wtr s VAL 262 CO 0.30 -0.51 1.20 0.00 0.00 0.00 0.00 175.10 176.09 2wtr s ALA 263 N 1.95 2.26 0.36 5.51 0.00 -1.26 -2.32 121.76 128.25 2wtr s ALA 263 Ca 0.05 0.88 -0.28 0.00 0.00 0.00 0.00 51.96 52.61 2wtr s ALA 263 Cb -0.17 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.39 2wtr s ALA 263 CO -0.22 -1.65 1.48 -2.30 0.00 0.00 0.00 175.76 173.07 2wtr n PRO 264 N -2.41 2.60 -0.80 0.00 -0.02 -1.25 -1.96 135.00 131.16 2wtr n PRO 264 Ca 0.13 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 2wtr n PRO 264 Cb 0.50 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2wtr n PRO 264 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2wtr n SER 265 N 0.79 -2.28 -4.90 2.55 7.64 -0.05 -4.97 113.62 112.41 2wtr n SER 265 Ca 0.03 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.59 2wtr n SER 265 Cb 0.38 -2.14 -0.05 0.00 -1.01 0.00 0.00 64.21 61.39 2wtr n SER 265 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2wtr s SER 266 N -2.16 6.28 0.28 6.43 1.04 -0.83 -4.89 113.70 119.85 2wtr s SER 266 Ca 0.00 0.27 -0.06 0.00 0.48 0.00 0.00 55.95 56.64 2wtr s SER 266 Cb 0.00 -1.93 -0.06 0.00 0.10 0.00 0.00 66.02 64.14 2wtr s SER 266 CO 0.00 0.20 0.56 -0.89 0.98 0.00 0.00 173.24 174.09 2wtr s THR 267 N -1.44 5.00 -0.00 2.02 2.01 -1.26 -2.39 115.64 119.58 2wtr s THR 267 Ca 0.32 0.16 -0.05 0.00 0.31 0.00 0.00 61.69 62.44 2wtr s THR 267 Cb -0.13 -3.71 -0.00 0.00 0.01 0.00 0.00 72.50 68.67 2wtr s THR 267 CO 0.24 -0.27 0.09 0.12 -0.69 0.00 0.00 174.62 174.11 2wtr s PHE 268 N -2.04 0.05 -0.08 4.92 5.36 -0.42 -4.96 117.98 120.81 2wtr s PHE 268 Ca 0.45 -0.12 -0.17 0.00 -0.96 0.00 0.00 56.93 56.12 2wtr s PHE 268 Cb -0.11 -0.06 0.04 0.00 -0.34 0.00 0.00 43.02 42.55 2wtr s PHE 268 CO 0.28 -0.20 0.41 0.00 -1.46 0.00 0.00 175.22 174.25 2wtr s LYS 270 N -0.63 0.10 -0.46 0.00 2.20 -0.58 -5.01 119.74 115.35 2wtr s LYS 270 Ca -0.07 0.13 -0.18 0.00 -0.36 0.00 0.00 55.97 55.49 2wtr s LYS 270 Cb -0.04 0.04 0.04 0.00 -1.51 0.00 0.00 37.83 36.37 2wtr s LYS 270 CO 0.03 -0.01 0.51 0.08 -0.36 0.00 0.00 175.35 175.60 2wtr s VAL 271 N 0.44 5.02 0.54 4.02 1.01 -1.26 -1.59 120.40 128.58 2wtr s VAL 271 Ca 0.01 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 2wtr s VAL 271 Cb -0.04 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 2wtr s VAL 271 CO -0.13 -0.60 0.84 -0.31 0.00 0.00 0.00 175.10 174.90 2wtr s TYR 272 N 2.26 3.37 -0.15 5.22 1.51 -0.30 -4.87 117.35 124.38 2wtr s TYR 272 Ca 0.12 0.68 -0.09 0.00 -1.01 0.00 0.00 57.07 56.78 2wtr s TYR 272 Cb -0.19 -2.55 0.05 0.00 -0.11 0.00 0.00 41.96 39.17 2wtr s TYR 272 CO 0.12 -0.59 0.36 0.99 -1.11 0.00 0.00 175.55 175.33 2wtr s THR 273 N -2.87 -0.02 0.12 -0.71 2.01 -1.26 -0.30 115.64 112.61 2wtr s THR 273 Ca 0.51 0.09 -0.12 0.00 0.31 0.00 0.00 61.69 62.48 2wtr s THR 273 Cb -0.10 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 71.88 2wtr s THR 273 CO 0.45 0.04 0.30 -1.48 -0.69 0.00 0.00 174.62 173.24 2wtr s LEU 274 N 1.17 0.90 -0.14 4.42 0.05 -0.58 -4.94 118.68 119.56 2wtr s LEU 274 Ca -0.08 -0.58 -0.02 0.00 0.05 0.00 0.00 54.13 53.51 2wtr s LEU 274 Cb -0.08 1.41 0.04 0.00 -2.05 0.00 0.00 46.19 45.51 2wtr s LEU 274 CO -0.10 -0.83 -0.00 -0.89 -0.55 0.00 0.00 176.35 173.98 2wtr s THR 275 N -3.87 0.63 0.16 5.48 2.01 -1.26 -0.11 115.64 118.68 2wtr s THR 275 Ca 0.07 -0.30 -0.31 0.00 0.31 0.00 0.00 61.69 61.46 2wtr s THR 275 Cb 0.03 -0.90 -0.10 0.00 0.01 0.00 0.00 72.50 71.54 2wtr s THR 275 CO -0.08 0.08 1.61 -2.84 -0.69 0.00 0.00 174.62 172.70 2wtr s PRO 276 N 1.84 4.20 -0.10 4.92 0.02 -1.26 -4.88 135.00 139.73 2wtr s PRO 276 Ca 0.02 2.40 -0.05 0.00 0.02 0.00 0.00 61.00 63.39 2wtr s PRO 276 Cb -0.15 -3.22 0.05 0.00 0.02 0.00 0.00 34.50 31.20 2wtr s PRO 276 CO -0.07 -0.65 0.23 -0.59 -0.33 0.00 0.00 177.00 175.59 2wtr s PHE 277 N 1.42 -0.31 0.58 6.54 -0.12 -1.24 -4.37 117.98 120.48 2wtr s PHE 277 Ca 0.72 0.76 0.28 0.00 -0.05 0.00 0.00 56.93 58.64 2wtr s PHE 277 Cb -0.44 0.01 1.76 0.00 -0.63 0.00 0.00 43.02 43.72 2wtr s PHE 277 CO 0.32 -0.24 2.24 1.25 -0.05 0.00 0.00 175.22 178.74 2wtr h LEU 278 N 7.36 0.00 -0.66 -1.99 5.85 -1.94 -2.60 115.31 121.32 2wtr h LEU 278 Ca -0.37 0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.49 2wtr h LEU 278 Cb 1.15 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.06 2wtr h LEU 278 CO 0.35 0.00 -0.04 0.00 -0.34 0.00 0.00 178.44 178.41 2wtr h ALA 279 N 2.00 0.61 -1.81 1.25 0.00 -1.97 -2.37 119.26 116.96 2wtr h ALA 279 Ca -0.00 0.22 -0.75 0.00 0.00 0.00 0.00 54.91 54.38 2wtr h ALA 279 Cb 0.01 0.39 -0.19 0.00 0.00 0.00 0.00 17.79 18.00 2wtr h ALA 279 CO 0.00 -0.41 1.23 0.27 0.00 0.00 0.00 179.25 180.34 2wtr n ASN 280 N -5.34 5.27 0.00 0.00 2.04 -0.98 -4.08 115.26 112.18 2wtr n ASN 280 Ca 0.10 -2.99 0.00 0.00 -0.44 0.00 0.00 54.58 51.25 2wtr n ASN 280 Cb 0.39 -1.54 0.00 0.00 -2.53 0.00 0.00 39.78 36.09 2wtr n ASN 280 CO 0.00 0.00 0.00 -0.46 -0.44 0.00 0.00 177.26 176.36 2wtr n ASN 281 N 5.17 0.00 0.15 0.53 2.04 -0.89 -4.88 115.26 117.38 2wtr n ASN 281 Ca 0.35 -0.14 0.11 0.00 -0.44 0.00 0.00 54.58 54.47 2wtr n ASN 281 Cb 0.42 0.00 0.63 0.00 -2.53 0.00 0.00 39.78 38.30 2wtr n ASN 281 CO 0.00 0.00 0.00 0.03 -0.44 0.00 0.00 177.26 176.85 2wtr h ARG 282 N 0.00 0.05 -0.65 -3.83 -0.00 -1.71 -0.90 114.38 107.34 2wtr h ARG 282 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2wtr h ARG 282 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.03 2wtr h ARG 282 CO 0.00 0.04 0.00 0.39 0.00 0.00 0.00 179.97 180.40 2wtr n GLU 283 N -4.49 3.34 -3.12 0.04 1.02 -1.26 -4.97 120.64 111.21 2wtr n GLU 283 Ca 0.02 -2.77 -0.37 0.00 -0.02 0.00 0.00 57.16 54.02 2wtr n GLU 283 Cb 0.25 -1.75 -0.06 0.00 -0.02 0.00 0.00 31.44 29.86 2wtr n GLU 283 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2wtr s LYS 284 N -1.54 4.29 -0.10 3.49 -0.14 -0.34 -5.08 119.74 120.31 2wtr s LYS 284 Ca 0.49 0.88 -0.05 0.00 -1.36 0.00 0.00 55.97 55.93 2wtr s LYS 284 Cb 0.29 -3.00 -0.04 0.00 -1.68 0.00 0.00 37.83 33.40 2wtr s LYS 284 CO 0.27 0.47 0.11 -0.98 -0.76 0.00 0.00 175.35 174.45 2wtr s ARG 285 N -1.70 3.32 -0.23 1.68 1.04 -1.26 -4.77 118.95 117.03 2wtr s ARG 285 Ca 0.39 -0.22 -0.04 0.00 -1.04 0.00 0.00 55.73 54.82 2wtr s ARG 285 Cb -0.18 -3.08 0.02 0.00 -2.04 0.00 0.00 34.95 29.66 2wtr s ARG 285 CO 0.22 0.75 0.09 0.41 -0.04 0.00 0.00 175.30 176.73 2wtr n GLY 286 N 1.92 -4.16 3.60 3.88 0.00 0.58 -4.96 105.19 106.05 2wtr n GLY 286 Ca -0.19 0.90 -0.05 0.00 0.00 0.00 0.00 46.02 46.68 2wtr n GLY 286 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wtr s LEU 287 N -1.18 -0.94 -0.30 0.99 2.96 -1.24 -4.72 118.68 114.25 2wtr s LEU 287 Ca -0.10 1.47 -0.29 0.00 -0.22 0.00 0.00 54.13 54.98 2wtr s LEU 287 Cb 0.01 2.23 0.01 0.00 0.50 0.00 0.00 46.19 48.93 2wtr s LEU 287 CO 0.70 -0.23 1.14 0.00 -1.32 0.00 0.00 176.35 176.64 2wtr s ALA 288 N 2.13 3.49 0.22 5.97 0.00 -1.26 -3.62 121.76 128.69 2wtr s ALA 288 Ca -0.08 0.04 0.07 0.00 0.00 0.00 0.00 51.96 51.98 2wtr s ALA 288 Cb -0.08 -3.69 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 2wtr s ALA 288 CO -0.19 -1.51 0.15 -0.51 0.00 0.00 0.00 175.76 173.71 2wtr s LEU 289 N 3.79 3.73 0.00 0.00 1.43 0.59 -0.71 118.68 127.51 2wtr s LEU 289 Ca 0.49 -0.25 0.12 0.00 -1.03 0.00 0.00 54.13 53.45 2wtr s LEU 289 Cb -0.14 -2.29 0.39 0.00 0.03 0.00 0.00 46.19 44.18 2wtr s LEU 289 CO 0.17 0.01 1.30 -0.90 0.23 0.00 0.00 176.35 177.16 2wtr n ASP 290 N -0.82 1.54 -0.98 2.29 5.75 -0.11 0.34 116.55 124.56 2wtr n ASP 290 Ca -0.08 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 2wtr n ASP 290 Cb 0.57 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 2wtr n ASP 290 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wtr n GLY 291 N 1.00 0.94 3.77 6.12 0.00 -1.26 -4.38 105.19 111.37 2wtr n GLY 291 Ca 0.11 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 2wtr n GLY 291 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wtr s LYS 292 N -1.93 3.45 0.44 1.61 -0.14 -1.26 -4.60 119.74 117.31 2wtr s LYS 292 Ca 0.00 1.79 0.16 0.00 -1.36 0.00 0.00 55.97 56.56 2wtr s LYS 292 Cb 0.00 -2.20 0.99 0.00 -1.68 0.00 0.00 37.83 34.94 2wtr s LYS 292 CO 0.00 -0.81 1.95 1.25 -0.76 0.00 0.00 175.35 176.98 2wtr h LEU 293 N 1.56 0.00 -0.22 3.17 5.85 -2.00 -3.12 115.31 120.55 2wtr h LEU 293 Ca -0.50 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.01 2wtr h LEU 293 Cb 1.27 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 2wtr h LEU 293 CO 0.58 0.23 -0.91 0.07 -0.34 0.00 0.00 178.44 178.07 2wtr h LYS 294 N 0.00 0.31 -7.07 1.25 2.10 -1.91 -3.46 116.57 107.80 2wtr h LYS 294 Ca -0.00 -0.34 -0.51 0.00 -2.00 0.00 0.00 60.65 57.79 2wtr h LYS 294 Cb 0.43 0.10 0.08 0.00 -0.90 0.00 0.00 32.23 31.94 2wtr h LYS 294 CO 0.03 1.04 0.46 -1.01 -2.00 0.00 0.00 179.45 177.97 2wtr s HIS 295 N -3.24 2.64 0.04 0.07 3.76 -1.18 -4.10 115.29 113.28 2wtr s HIS 295 Ca -0.04 1.53 -0.16 0.00 -0.15 0.00 0.00 55.06 56.24 2wtr s HIS 295 Cb 0.09 -3.38 -0.31 0.00 1.11 0.00 0.00 32.58 30.10 2wtr s HIS 295 CO 0.85 -1.76 1.07 0.93 -0.85 0.00 0.00 174.74 174.97 2wtr h GLU 296 N 1.35 0.59 0.00 1.40 5.08 -1.89 -3.24 114.58 117.87 2wtr h GLU 296 Ca -0.50 -0.83 0.00 0.00 -1.00 0.00 0.00 59.36 57.03 2wtr h GLU 296 Cb 1.27 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.80 2wtr h GLU 296 CO 0.57 1.38 0.00 -0.40 -1.00 0.00 0.00 179.01 179.57 2wtr n ASP 297 N -3.81 0.00 -4.83 1.42 5.75 -1.26 -4.76 116.55 109.05 2wtr n ASP 297 Ca -0.14 -0.75 -0.33 0.00 -0.01 0.00 0.00 54.79 53.56 2wtr n ASP 297 Cb 0.99 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 41.02 2wtr n ASP 297 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2wtr s THR 298 N -2.00 4.51 0.33 2.12 2.01 -1.23 -4.99 115.64 116.39 2wtr s THR 298 Ca 0.08 1.27 -0.01 0.00 0.31 0.00 0.00 61.69 63.33 2wtr s THR 298 Cb 0.03 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 68.93 2wtr s THR 298 CO 0.06 -0.32 0.45 0.59 -0.69 0.00 0.00 174.62 174.71 2wtr n ASN 299 N -0.66 -1.25 -4.77 3.53 3.02 -1.26 -5.02 115.26 108.86 2wtr n ASN 299 Ca 0.06 -2.84 -0.40 0.00 -0.03 0.00 0.00 54.58 51.36 2wtr n ASN 299 Cb 0.54 2.36 -0.00 0.00 -0.61 0.00 0.00 39.78 42.07 2wtr n ASN 299 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wtr s LEU 300 N 0.00 4.24 0.22 3.41 1.43 -1.26 -0.94 118.68 125.78 2wtr s LEU 300 Ca 0.29 2.79 -0.32 0.00 -1.03 0.00 0.00 54.13 55.86 2wtr s LEU 300 Cb -0.01 -3.84 -0.12 0.00 0.03 0.00 0.00 46.19 42.26 2wtr s LEU 300 CO 0.21 -0.89 1.71 0.00 0.23 0.00 0.00 176.35 177.61 2wtr n ALA 301 N 0.20 2.81 -1.26 4.21 0.00 0.11 -4.31 120.51 122.27 2wtr n ALA 301 Ca 0.03 0.40 -0.32 0.00 0.00 0.00 0.00 53.44 53.54 2wtr n ALA 301 Cb 0.42 -2.52 0.09 0.00 0.00 0.00 0.00 19.45 17.45 2wtr n ALA 301 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2wtr s SER 302 N 1.09 4.32 0.34 0.00 1.04 -1.26 -4.92 113.70 114.31 2wtr s SER 302 Ca 0.74 2.08 -0.29 0.00 0.48 0.00 0.00 55.95 58.97 2wtr s SER 302 Cb -0.50 -2.56 -0.11 0.00 0.10 0.00 0.00 66.02 62.95 2wtr s SER 302 CO 0.34 -2.17 1.43 -0.44 0.98 0.00 0.00 173.24 173.38 2wtr s SER 303 N -2.65 6.52 -0.09 7.02 0.01 -0.13 -4.73 113.70 119.65 2wtr s SER 303 Ca 0.67 2.89 -0.28 0.00 1.31 0.00 0.00 55.95 60.55 2wtr s SER 303 Cb -0.22 -2.66 -0.02 0.00 0.21 0.00 0.00 66.02 63.33 2wtr s SER 303 CO 0.49 -0.74 0.91 -0.89 0.41 0.00 0.00 173.24 173.41 2wtr s THR 304 N -0.96 4.87 -0.23 1.44 2.01 -0.62 -4.91 115.64 117.24 2wtr s THR 304 Ca 0.53 1.85 -0.23 0.00 0.31 0.00 0.00 61.69 64.15 2wtr s THR 304 Cb -0.44 -4.23 -0.01 0.00 0.01 0.00 0.00 72.50 67.83 2wtr s THR 304 CO 0.57 0.09 0.74 -0.76 -0.69 0.00 0.00 174.62 174.57 2wtr s LEU 305 N 1.57 4.10 -0.04 4.42 2.01 -1.26 -4.89 118.68 124.59 2wtr s LEU 305 Ca 0.45 0.92 -0.20 0.00 0.01 0.00 0.00 54.13 55.31 2wtr s LEU 305 Cb -0.18 -3.04 -0.05 0.00 0.01 0.00 0.00 46.19 42.92 2wtr s LEU 305 CO 0.19 -0.42 0.58 -0.76 1.01 0.00 0.00 176.35 176.96 2wtr s LEU 306 N 2.51 4.37 -0.53 1.79 1.43 -1.26 -4.98 118.68 122.01 2wtr s LEU 306 Ca 0.32 1.09 0.02 0.00 -1.03 0.00 0.00 54.13 54.52 2wtr s LEU 306 Cb -0.16 -2.89 0.57 0.00 0.03 0.00 0.00 46.19 43.74 2wtr s LEU 306 CO 0.09 0.05 1.96 0.54 0.23 0.00 0.00 176.35 179.22 2wtr n ARG 307 N 3.06 2.40 0.00 1.70 1.74 -1.26 -4.97 116.66 119.33 2wtr n ARG 307 Ca -0.06 -3.06 0.00 0.00 -0.77 0.00 0.00 57.85 53.96 2wtr n ARG 307 Cb 0.51 -2.20 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 2wtr n ARG 307 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2wtr n GLU 308 N -1.01 0.00 -0.21 5.56 4.07 -1.26 -3.27 120.64 124.52 2wtr n GLU 308 Ca 0.60 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.80 2wtr n GLU 308 Cb 1.24 0.00 0.26 0.00 -0.06 0.00 0.00 31.44 32.88 2wtr n GLU 308 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wtr n GLY 309 N 0.00 1.28 3.76 8.31 0.00 -1.26 -4.98 105.19 112.30 2wtr n GLY 309 Ca 0.00 -0.58 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 2wtr n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wtr s ALA 310 N -1.44 2.79 -0.48 4.61 0.00 -1.20 -4.97 121.76 121.07 2wtr s ALA 310 Ca 0.35 1.02 -0.28 0.00 0.00 0.00 0.00 51.96 53.05 2wtr s ALA 310 Cb 0.19 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.90 2wtr s ALA 310 CO 0.26 -0.95 1.11 1.21 0.00 0.00 0.00 175.76 177.39 2wtr s ASN 311 N -1.39 6.60 0.25 0.00 3.84 -1.26 -4.87 114.94 118.12 2wtr s ASN 311 Ca 0.70 0.39 0.26 0.00 0.21 0.00 0.00 52.86 54.41 2wtr s ASN 311 Cb -0.31 -2.53 0.80 0.00 -0.55 0.00 0.00 41.25 38.66 2wtr s ASN 311 CO 0.36 -1.24 1.75 0.08 -2.79 0.00 0.00 177.10 175.27 2wtr h ARG 312 N 9.23 0.00 -0.27 0.43 0.11 -1.99 -3.27 114.38 118.61 2wtr h ARG 312 Ca -0.23 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.74 2wtr h ARG 312 Cb 1.06 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.14 2wtr h ARG 312 CO 1.12 0.00 -0.24 1.49 0.10 0.00 0.00 179.97 182.43 2wtr h GLU 313 N 0.00 0.65 0.00 0.08 4.81 -1.90 -2.99 114.58 115.23 2wtr h GLU 313 Ca 0.00 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2wtr h GLU 313 Cb 0.70 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2wtr h GLU 313 CO 0.00 0.93 0.00 0.44 -0.73 0.00 0.00 179.01 179.65 2wtr n ILE 314 N -4.32 0.10 0.99 2.32 -5.35 -1.23 -2.96 119.36 108.90 2wtr n ILE 314 Ca -0.04 0.03 0.13 0.00 -0.27 0.00 0.00 62.75 62.60 2wtr n ILE 314 Cb 0.44 -0.60 0.60 0.00 -1.74 0.00 0.00 39.64 38.34 2wtr n ILE 314 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wtr n LEU 315 N -1.17 0.00 0.00 7.28 4.77 -1.13 -4.88 117.00 121.87 2wtr n LEU 315 Ca 0.16 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 2wtr n LEU 315 Cb 0.16 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2wtr n LEU 315 CO 0.18 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 2wtr n GLY 316 N 1.28 1.32 2.87 -0.72 0.00 -1.16 -4.72 105.19 104.06 2wtr n GLY 316 Ca 0.08 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 2wtr n GLY 316 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wtr s ILE 317 N 0.00 -0.22 -0.39 -0.61 1.01 -1.26 -0.96 121.20 118.77 2wtr s ILE 317 Ca 0.00 0.31 -0.15 0.00 0.00 0.00 0.00 60.65 60.81 2wtr s ILE 317 Cb 0.00 -0.29 0.01 0.00 0.01 0.00 0.00 42.46 42.19 2wtr s ILE 317 CO 0.00 0.13 0.32 -0.63 0.00 0.00 0.00 174.94 174.76 2wtr s ILE 318 N 2.04 5.23 0.00 2.92 -1.09 -0.62 -4.93 121.20 124.75 2wtr s ILE 318 Ca 0.00 -0.41 -0.03 0.00 -2.23 0.00 0.00 60.65 57.98 2wtr s ILE 318 Cb -0.12 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.84 2wtr s ILE 318 CO -0.06 -0.23 0.20 -0.69 -1.23 0.00 0.00 174.94 172.94 2wtr s VAL 319 N 1.81 5.41 0.19 2.92 1.01 -1.26 -1.36 120.40 129.11 2wtr s VAL 319 Ca 0.07 -0.13 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 2wtr s VAL 319 Cb -0.18 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.68 2wtr s VAL 319 CO 0.11 0.30 0.53 -0.94 0.00 0.00 0.00 175.10 175.11 2wtr s SER 320 N -1.98 -0.29 0.04 3.32 1.04 0.03 -1.59 113.70 114.27 2wtr s SER 320 Ca 0.28 -0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.29 2wtr s SER 320 Cb -0.13 0.58 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 2wtr s SER 320 CO 0.19 -1.05 -0.05 -0.31 0.98 0.00 0.00 173.24 173.01 2wtr s TYR 321 N -3.86 0.48 -0.19 5.02 1.51 -1.26 -0.80 117.35 118.24 2wtr s TYR 321 Ca 0.08 -0.60 -0.11 0.00 -1.01 0.00 0.00 57.07 55.43 2wtr s TYR 321 Cb -0.01 -0.31 0.06 0.00 -0.11 0.00 0.00 41.96 41.59 2wtr s TYR 321 CO -0.04 -0.16 0.48 0.15 -1.11 0.00 0.00 175.55 174.87 2wtr s LYS 322 N -1.90 0.48 0.30 -0.62 1.02 -0.52 -3.21 119.74 115.30 2wtr s LYS 322 Ca -0.10 0.87 -0.22 0.00 0.02 0.00 0.00 55.97 56.54 2wtr s LYS 322 Cb -0.07 0.04 -0.09 0.00 -0.52 0.00 0.00 37.83 37.18 2wtr s LYS 322 CO -0.02 -0.15 0.86 0.08 -0.92 0.00 0.00 175.35 175.20 2wtr s VAL 323 N 1.34 4.39 -0.15 3.17 1.01 -0.04 -0.62 120.40 129.48 2wtr s VAL 323 Ca -0.09 1.54 -0.02 0.00 0.00 0.00 0.00 61.98 63.41 2wtr s VAL 323 Cb -0.07 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.48 2wtr s VAL 323 CO -0.13 0.08 0.02 -0.75 0.00 0.00 0.00 175.10 174.32 2wtr s LYS 324 N -2.24 0.65 0.05 2.72 2.20 0.89 0.02 119.74 124.02 2wtr s LYS 324 Ca 0.50 -0.25 -0.18 0.00 -0.36 0.00 0.00 55.97 55.68 2wtr s LYS 324 Cb -0.16 -1.74 -0.06 0.00 -1.51 0.00 0.00 37.83 34.35 2wtr s LYS 324 CO 0.21 -0.53 0.53 0.08 -0.36 0.00 0.00 175.35 175.28 2wtr s VAL 325 N 1.90 4.83 -0.08 4.02 1.01 -1.00 -2.40 120.40 128.68 2wtr s VAL 325 Ca 0.01 1.11 -0.03 0.00 0.00 0.00 0.00 61.98 63.07 2wtr s VAL 325 Cb -0.15 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.42 2wtr s VAL 325 CO -0.07 0.55 0.16 -0.75 0.00 0.00 0.00 175.10 174.99 2wtr s LYS 326 N -1.02 0.07 -0.36 2.72 2.20 -0.75 -1.47 119.74 121.12 2wtr s LYS 326 Ca 0.28 0.50 -0.14 0.00 -0.36 0.00 0.00 55.97 56.24 2wtr s LYS 326 Cb -0.19 -0.22 -0.00 0.00 -1.51 0.00 0.00 37.83 35.91 2wtr s LYS 326 CO 0.17 -0.25 0.29 -0.51 -0.36 0.00 0.00 175.35 174.69 2wtr s LEU 327 N 1.84 4.69 -0.72 5.43 1.43 0.28 -1.15 118.68 130.48 2wtr s LEU 327 Ca -0.02 -0.53 -0.26 0.00 -1.03 0.00 0.00 54.13 52.28 2wtr s LEU 327 Cb -0.12 -2.19 0.04 0.00 0.03 0.00 0.00 46.19 43.94 2wtr s LEU 327 CO -0.06 -0.33 1.23 -0.69 0.23 0.00 0.00 176.35 176.73 2wtr s VAL 328 N 1.79 3.82 0.11 -1.59 1.01 -0.94 -2.74 120.40 121.86 2wtr s VAL 328 Ca 0.07 0.31 -0.28 0.00 0.00 0.00 0.00 61.98 62.08 2wtr s VAL 328 Cb -0.18 -4.88 -0.06 0.00 0.00 0.00 0.00 36.38 31.26 2wtr s VAL 328 CO 0.11 -1.79 0.89 -0.69 0.00 0.00 0.00 175.10 173.63 2wtr s VAL 329 N 5.47 4.50 -0.18 2.92 1.01 -1.26 -1.32 120.40 131.53 2wtr s VAL 329 Ca 0.33 1.93 -0.04 0.00 0.00 0.00 0.00 61.98 64.21 2wtr s VAL 329 Cb -0.09 -4.26 -0.14 0.00 0.00 0.00 0.00 36.38 31.89 2wtr s VAL 329 CO 0.15 0.37 2.37 -1.54 0.00 0.00 0.00 175.10 176.44 2wtr n SER 330 N 2.55 3.59 -0.89 3.32 3.41 -0.69 -4.89 113.62 120.03 2wtr n SER 330 Ca -0.00 -2.14 0.07 0.00 -0.26 0.00 0.00 58.87 56.54 2wtr n SER 330 Cb 0.49 -0.92 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 2wtr n SER 330 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2wtr n SER 341 N 2.96 -3.38 -3.66 4.04 7.64 -1.26 -4.68 113.62 115.28 2wtr n SER 341 Ca 0.30 0.49 -0.11 0.00 1.01 0.00 0.00 58.87 60.56 2wtr n SER 341 Cb 0.48 -2.85 -0.11 0.00 -1.01 0.00 0.00 64.21 60.72 2wtr n SER 341 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2wtr s ASP 342 N -5.17 0.05 0.33 6.43 1.01 -1.26 -4.85 116.67 113.21 2wtr s ASP 342 Ca 0.00 0.79 -0.14 0.00 0.71 0.00 0.00 52.55 53.91 2wtr s ASP 342 Cb 0.00 1.01 -0.09 0.00 1.01 0.00 0.00 42.92 44.86 2wtr s ASP 342 CO 0.00 -0.24 0.74 -0.69 0.21 0.00 0.00 175.17 175.19 2wtr s VAL 343 N 2.50 4.70 0.17 -1.27 1.01 -1.11 -4.92 120.40 121.48 2wtr s VAL 343 Ca -0.00 0.90 -0.24 0.00 0.00 0.00 0.00 61.98 62.64 2wtr s VAL 343 Cb -0.12 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.69 2wtr s VAL 343 CO -0.11 -0.22 0.78 0.00 0.00 0.00 0.00 175.10 175.56 2wtr s ALA 344 N -2.03 -1.52 0.24 5.51 0.00 -1.26 -0.55 121.76 122.14 2wtr s ALA 344 Ca 0.54 0.21 -0.11 0.00 0.00 0.00 0.00 51.96 52.59 2wtr s ALA 344 Cb -0.10 0.73 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 2wtr s ALA 344 CO 0.19 -0.92 0.43 0.14 0.00 0.00 0.00 175.76 175.60 2wtr s VAL 345 N -3.58 0.00 -0.11 0.00 -7.23 -0.54 -4.85 120.40 104.09 2wtr s VAL 345 Ca 0.08 -1.48 -0.04 0.00 -1.81 0.00 0.00 61.98 58.73 2wtr s VAL 345 Cb -0.03 -2.22 0.05 0.00 0.56 0.00 0.00 36.38 34.74 2wtr s VAL 345 CO -0.02 -0.01 0.21 -1.61 -0.31 0.00 0.00 175.10 173.37 2wtr s GLU 346 N -4.03 0.09 -0.30 4.82 2.02 -1.26 -2.39 118.70 117.66 2wtr s GLU 346 Ca 0.24 0.65 -0.11 0.00 0.02 0.00 0.00 54.97 55.77 2wtr s GLU 346 Cb 0.00 -0.15 -0.03 0.00 0.10 0.00 0.00 34.13 34.05 2wtr s GLU 346 CO 0.09 -0.29 0.18 -0.51 0.02 0.00 0.00 175.26 174.75 2wtr s LEU 347 N 2.29 4.10 0.55 1.80 1.43 0.10 -4.90 118.68 124.06 2wtr s LEU 347 Ca 0.01 -0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 52.67 2wtr s LEU 347 Cb -0.12 -2.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 2wtr s LEU 347 CO -0.07 -0.13 1.14 -2.84 0.23 0.00 0.00 176.35 174.68 2wtr s PRO 348 N 1.70 3.29 -0.15 1.29 0.02 -1.26 -0.86 135.00 139.02 2wtr s PRO 348 Ca 0.06 1.63 -0.30 0.00 0.02 0.00 0.00 61.00 62.42 2wtr s PRO 348 Cb -0.16 -1.99 0.11 0.00 0.02 0.00 0.00 34.50 32.48 2wtr s PRO 348 CO 0.09 -0.91 0.93 -0.59 -0.33 0.00 0.00 177.00 176.19 2wtr s PHE 349 N -1.77 -0.45 -0.12 6.54 -0.12 -1.20 -4.91 117.98 115.95 2wtr s PHE 349 Ca 0.73 0.82 -0.16 0.00 -0.05 0.00 0.00 56.93 58.27 2wtr s PHE 349 Cb -0.25 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.53 2wtr s PHE 349 CO 0.28 -0.39 0.41 0.99 -0.05 0.00 0.00 175.22 176.46 2wtr s THR 350 N -0.96 5.21 -0.43 -4.49 2.01 0.16 -4.23 115.64 112.91 2wtr s THR 350 Ca -0.03 0.80 -0.11 0.00 0.31 0.00 0.00 61.69 62.66 2wtr s THR 350 Cb -0.01 -3.74 0.08 0.00 0.01 0.00 0.00 72.50 68.84 2wtr s THR 350 CO 0.03 0.37 0.29 -0.22 -0.69 0.00 0.00 174.62 174.40 2wtr s LEU 351 N 0.40 5.27 0.38 4.42 0.20 -1.26 -0.03 118.68 128.06 2wtr s LEU 351 Ca 0.22 -1.47 0.07 0.00 0.69 0.00 0.00 54.13 53.64 2wtr s LEU 351 Cb -0.14 -2.03 -0.00 0.00 -0.43 0.00 0.00 46.19 43.58 2wtr s LEU 351 CO 0.08 -0.57 0.52 -0.04 -0.29 0.00 0.00 176.35 176.06 2wtr s MET 352 N 1.47 3.00 0.10 1.98 -1.94 0.19 -0.95 119.30 123.14 2wtr s MET 352 Ca 0.03 -1.07 -0.25 0.00 -1.71 0.00 0.00 55.69 52.70 2wtr s MET 352 Cb -0.23 -2.78 -0.07 0.00 2.01 0.00 0.00 34.83 33.76 2wtr s MET 352 CO 0.03 -0.09 0.76 -1.58 -0.01 0.00 0.00 175.02 174.13 2wtr s HIS 353 N -2.27 3.82 0.28 -0.03 2.46 -1.21 -3.20 115.29 115.13 2wtr s HIS 353 Ca 0.49 1.53 -0.30 0.00 0.47 0.00 0.00 55.06 57.25 2wtr s HIS 353 Cb -0.10 -2.77 -0.12 0.00 -0.13 0.00 0.00 32.58 29.46 2wtr s HIS 353 CO 0.32 0.40 1.62 -2.14 -2.47 0.00 0.00 174.74 172.48 2wtr s PRO 354 N -0.60 4.11 0.20 2.88 0.02 -1.26 -4.74 135.00 135.62 2wtr s PRO 354 Ca 0.37 2.60 -0.30 0.00 0.02 0.00 0.00 61.00 63.69 2wtr s PRO 354 Cb -0.22 -3.02 -0.08 0.00 0.02 0.00 0.00 34.50 31.20 2wtr s PRO 354 CO 0.24 -0.66 1.06 0.21 -0.33 0.00 0.00 177.00 177.51 2wtr s LYS 355 N -0.28 4.66 0.63 5.54 2.20 -1.26 -4.92 119.74 126.30 2wtr s LYS 355 Ca 0.65 1.67 0.33 0.00 -0.36 0.00 0.00 55.97 58.25 2wtr s LYS 355 Cb -0.48 -3.27 1.82 0.00 -1.51 0.00 0.00 37.83 34.39 2wtr s LYS 355 CO 0.46 0.19 2.11 -1.35 -0.36 0.00 0.00 175.35 176.41 2wtr h PRO 356 N 4.73 0.00 0.00 4.03 0.11 -2.03 -3.55 132.00 135.29 2wtr h PRO 356 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2wtr h PRO 356 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wtr h PRO 356 CO 0.70 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.85 2wtr n LYS 357 N -3.42 -1.86 0.00 1.05 0.00 -1.26 -5.36 118.16 107.31 2wtr n LYS 357 Ca -0.00 0.41 0.00 0.00 -0.00 0.00 0.00 58.31 58.72 2wtr n LYS 357 Cb 0.29 -4.65 0.00 0.00 -0.00 0.00 0.00 35.03 30.67 2wtr n LYS 357 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2wtr n ASP 384 N -0.47 0.00 -4.79 -5.58 8.00 -1.26 -5.35 116.55 107.09 2wtr n ASP 384 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 2wtr n ASP 384 Cb 0.41 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.47 2wtr n ASP 384 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2wtr s ASP 385 N 0.00 6.54 0.29 -2.24 3.68 -1.26 -4.61 116.67 119.07 2wtr s ASP 385 Ca 0.00 1.94 -0.29 0.00 2.13 0.00 0.00 52.55 56.32 2wtr s ASP 385 Cb 0.00 -2.57 -0.10 0.00 -1.45 0.00 0.00 42.92 38.81 2wtr s ASP 385 CO 0.00 -0.64 1.20 -0.63 0.13 0.00 0.00 175.17 175.22 2wtr s ILE 386 N -1.90 3.16 -0.07 4.11 1.09 -1.26 -2.97 121.20 123.36 2wtr s ILE 386 Ca 0.64 1.15 -0.02 0.00 -1.10 0.00 0.00 60.65 61.32 2wtr s ILE 386 Cb -0.17 -3.73 0.03 0.00 -1.06 0.00 0.00 42.46 37.53 2wtr s ILE 386 CO 0.21 0.27 0.03 -0.69 -0.10 0.00 0.00 174.94 174.66 2wtr s VAL 387 N -1.04 0.18 0.66 2.92 1.01 -0.76 -4.98 120.40 118.40 2wtr s VAL 387 Ca 0.47 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.52 2wtr s VAL 387 Cb -0.35 -0.43 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 2wtr s VAL 387 CO 0.46 0.17 1.05 -0.36 0.00 0.00 0.00 175.10 176.41 2wtr s PHE 388 N 2.05 3.42 -0.28 5.22 0.08 -1.26 -1.15 117.98 126.06 2wtr s PHE 388 Ca 0.04 1.09 -0.23 0.00 0.12 0.00 0.00 56.93 57.95 2wtr s PHE 388 Cb -0.13 -2.91 0.12 0.00 -0.57 0.00 0.00 43.02 39.53 2wtr s PHE 388 CO -0.05 -0.97 0.98 -2.00 -0.10 0.00 0.00 175.22 173.08 2wtr s GLU 389 N -5.26 0.51 0.48 0.44 2.12 -1.13 -4.87 118.70 111.00 2wtr s GLU 389 Ca 0.57 0.67 -0.24 0.00 0.36 0.00 0.00 54.97 56.32 2wtr s GLU 389 Cb -0.11 0.22 -0.07 0.00 0.26 0.00 0.00 34.13 34.43 2wtr s GLU 389 CO 0.52 -0.07 1.42 0.34 -0.54 0.00 0.00 175.26 176.93 2wtr s ASP 390 N 0.52 5.66 0.39 -1.70 2.15 -1.26 -2.28 116.67 120.15 2wtr s ASP 390 Ca 0.00 2.91 0.28 0.00 0.43 0.00 0.00 52.55 56.17 2wtr s ASP 390 Cb -0.05 -2.65 1.12 0.00 -0.30 0.00 0.00 42.92 41.04 2wtr s ASP 390 CO -0.08 -1.32 1.83 0.15 -0.17 0.00 0.00 175.17 175.58 2wtr h PHE 391 N 2.06 0.00 -2.25 -5.34 3.57 -1.88 -3.45 116.94 109.65 2wtr h PHE 391 Ca -0.51 0.00 -0.62 0.00 3.53 0.00 0.00 57.97 60.37 2wtr h PHE 391 Cb 1.28 0.00 0.08 0.00 2.79 0.00 0.00 35.95 40.10 2wtr h PHE 391 CO 0.49 0.00 0.37 0.00 -2.23 0.00 0.00 178.31 176.94 2wtr n ALA 392 N -1.92 -0.08 -1.00 2.41 0.00 -1.26 -4.96 120.51 113.70 2wtr n ALA 392 Ca 0.02 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.89 2wtr n ALA 392 Cb 0.28 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.62 2wtr n ALA 392 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wtr n ARG 393 N 1.74 0.00 -3.10 0.00 5.12 -1.26 -5.10 116.66 114.06 2wtr n ARG 393 Ca 0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 2wtr n ARG 393 Cb 0.28 -0.19 0.00 0.00 -1.16 0.00 0.00 32.46 31.38 2wtr n ARG 393 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2wtr n GLN 394 N 0.00 -2.79 0.00 5.56 6.02 -1.26 -4.99 117.38 119.92 2wtr n GLN 394 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2wtr n GLN 394 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2wtr n GLN 394 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2wtr n ARG 395 N -0.09 0.00 -1.63 -1.09 1.74 -1.26 -3.78 116.66 110.55 2wtr n ARG 395 Ca 0.00 0.00 -0.47 0.00 -0.77 0.00 0.00 57.85 56.61 2wtr n ARG 395 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 2wtr n ARG 395 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wtr n LEU 396 N 0.00 2.47 0.00 0.55 4.77 -1.26 -4.91 117.00 118.61 2wtr n LEU 396 Ca 0.00 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.10 2wtr n LEU 396 Cb 0.00 -1.33 0.00 0.00 -2.33 0.00 0.00 43.42 39.76 2wtr n LEU 396 CO 0.00 -0.72 0.11 0.29 -1.33 0.00 0.00 177.39 175.75