#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hpt s GLN 6 N 0.00 4.14 0.47 0.54 -1.52 -1.26 -5.08 119.66 116.96 2hpt s GLN 6 Ca 0.00 -0.15 -0.24 0.00 -1.95 0.00 0.00 55.36 53.02 2hpt s GLN 6 Cb 0.00 -3.49 -0.07 0.00 -0.22 0.00 0.00 33.01 29.23 2hpt s GLN 6 CO 0.00 0.14 1.39 0.00 -0.25 0.00 0.00 175.29 176.57 2hpt s ALA 7 N 0.80 3.12 0.10 6.09 0.00 -1.26 -4.67 121.76 125.95 2hpt s ALA 7 Ca 0.10 1.39 0.09 0.00 0.00 0.00 0.00 51.96 53.53 2hpt s ALA 7 Cb -0.13 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 2hpt s ALA 7 CO 0.03 -1.18 -0.18 0.15 0.00 0.00 0.00 175.76 174.58 2hpt s LYS 8 N -2.55 1.85 -0.08 0.00 -0.14 0.11 -4.94 119.74 113.98 2hpt s LYS 8 Ca 0.63 -1.14 0.04 0.00 -1.36 0.00 0.00 55.97 54.15 2hpt s LYS 8 Cb -0.42 -2.13 0.00 0.00 -1.68 0.00 0.00 37.83 33.60 2hpt s LYS 8 CO 0.52 0.49 -0.21 0.71 -0.76 0.00 0.00 175.35 176.10 2hpt s TYR 9 N -1.10 2.23 0.42 3.18 1.51 -1.26 -0.93 117.35 121.40 2hpt s TYR 9 Ca 0.17 -0.83 0.10 0.00 -1.01 0.00 0.00 57.07 55.50 2hpt s TYR 9 Cb -0.11 -1.51 0.94 0.00 -0.11 0.00 0.00 41.96 41.18 2hpt s TYR 9 CO 0.09 -0.33 2.03 -0.09 -1.11 0.00 0.00 175.55 176.14 2hpt h ARG 10 N 6.60 0.47 0.00 -0.62 2.43 -1.19 -0.53 114.38 121.54 2hpt h ARG 10 Ca -0.25 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2hpt h ARG 10 Cb 1.21 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2hpt h ARG 10 CO 0.47 0.31 0.00 -2.39 -1.51 0.00 0.00 179.97 176.85 2hpt n HIS 11 N -4.48 0.00 1.76 2.20 1.44 -1.26 -2.45 115.22 112.43 2hpt n HIS 11 Ca 0.06 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 55.91 2hpt n HIS 11 Cb 0.19 -0.48 0.69 0.00 0.12 0.00 0.00 29.99 30.51 2hpt n HIS 11 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2hpt n ASP 12 N -1.48 0.65 -4.65 4.39 8.00 -0.21 -4.93 116.55 118.31 2hpt n ASP 12 Ca 0.05 -1.30 -0.47 0.00 0.71 0.00 0.00 54.79 53.78 2hpt n ASP 12 Cb 0.22 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.27 2hpt n ASP 12 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hpt n TYR 13 N -0.46 2.02 -3.81 1.24 9.36 -1.02 -4.98 117.16 119.50 2hpt n TYR 13 Ca 0.20 0.43 -0.13 0.00 3.32 0.00 0.00 57.90 61.72 2hpt n TYR 13 Cb 0.20 -2.45 -0.14 0.00 -0.63 0.00 0.00 39.34 36.32 2hpt n TYR 13 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 2hpt s ARG 14 N 0.14 0.04 0.38 2.98 3.52 -1.26 -5.14 118.95 119.61 2hpt s ARG 14 Ca 0.74 0.16 -0.25 0.00 -0.13 0.00 0.00 55.73 56.25 2hpt s ARG 14 Cb -0.72 -0.08 -0.12 0.00 -1.56 0.00 0.00 34.95 32.47 2hpt s ARG 14 CO 0.46 -0.08 0.89 0.00 -0.81 0.00 0.00 175.30 175.76 2hpt n ALA 15 N 3.55 -0.39 -1.77 6.12 0.00 -1.26 -4.90 120.51 121.86 2hpt n ALA 15 Ca -0.19 0.26 -0.40 0.00 0.00 0.00 0.00 53.44 53.11 2hpt n ALA 15 Cb 0.56 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.01 2hpt n ALA 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2hpt s PRO 16 N -1.78 4.22 0.47 0.00 0.04 -1.26 -4.93 135.00 131.76 2hpt s PRO 16 Ca 0.62 2.17 0.13 0.00 0.04 0.00 0.00 61.00 63.97 2hpt s PRO 16 Cb -0.61 -2.95 1.11 0.00 0.04 0.00 0.00 34.50 32.09 2hpt s PRO 16 CO 0.58 -0.29 2.10 -0.44 0.04 0.00 0.00 177.00 178.98 2hpt h ASP 17 N 3.11 0.20 -4.30 6.66 3.32 -1.95 -3.43 116.42 120.04 2hpt h ASP 17 Ca -0.49 -0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.10 2hpt h ASP 17 Cb 1.23 -0.05 -0.25 0.00 0.22 0.00 0.00 39.33 40.48 2hpt h ASP 17 CO 0.64 0.14 -0.80 -0.31 -1.72 0.00 0.00 179.24 177.20 2hpt s TYR 18 N -5.24 1.23 0.11 4.55 1.51 -1.26 0.42 117.35 118.67 2hpt s TYR 18 Ca -0.06 -0.33 0.03 0.00 -1.01 0.00 0.00 57.07 55.70 2hpt s TYR 18 Cb 0.17 -0.74 -0.04 0.00 -0.11 0.00 0.00 41.96 41.24 2hpt s TYR 18 CO 0.70 0.03 0.12 -0.65 -1.11 0.00 0.00 175.55 174.64 2hpt s GLN 19 N -0.99 2.98 -0.17 -0.62 -1.52 0.67 -4.92 119.66 115.09 2hpt s GLN 19 Ca 0.02 -0.71 -0.01 0.00 -1.95 0.00 0.00 55.36 52.71 2hpt s GLN 19 Cb -0.07 -2.75 -0.01 0.00 -0.22 0.00 0.00 33.01 29.96 2hpt s GLN 19 CO 0.01 0.55 -0.11 0.42 -0.25 0.00 0.00 175.29 175.90 2hpt s ILE 20 N -1.52 2.96 -0.12 1.08 1.01 -1.26 -0.91 121.20 122.43 2hpt s ILE 20 Ca 0.31 -0.66 0.19 0.00 0.00 0.00 0.00 60.65 60.49 2hpt s ILE 20 Cb -0.12 -2.28 -0.23 0.00 0.01 0.00 0.00 42.46 39.84 2hpt s ILE 20 CO 0.23 0.49 0.49 0.35 0.00 0.00 0.00 174.94 176.50 2hpt n THR 21 N 4.20 0.80 -3.71 2.92 -2.24 -0.30 -4.01 114.28 111.93 2hpt n THR 21 Ca -0.19 -0.67 -0.12 0.00 -2.27 0.00 0.00 64.05 60.80 2hpt n THR 21 Cb 0.52 -0.37 -0.10 0.00 -2.10 0.00 0.00 70.33 68.27 2hpt n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2hpt s ASP 22 N -5.23 -0.49 -0.03 3.42 1.01 -1.25 -1.69 116.67 112.42 2hpt s ASP 22 Ca -0.07 0.91 0.01 0.00 0.71 0.00 0.00 52.55 54.11 2hpt s ASP 22 Cb 0.10 0.89 0.02 0.00 1.01 0.00 0.00 42.92 44.94 2hpt s ASP 22 CO 0.85 -0.17 -0.02 -0.51 0.21 0.00 0.00 175.17 175.54 2hpt s ILE 23 N 0.53 0.29 -0.30 0.77 2.07 0.09 -1.40 121.20 123.25 2hpt s ILE 23 Ca -0.02 -0.01 -0.07 0.00 -1.41 0.00 0.00 60.65 59.14 2hpt s ILE 23 Cb -0.04 -0.34 0.01 0.00 0.13 0.00 0.00 42.46 42.22 2hpt s ILE 23 CO -0.03 0.15 0.08 -0.62 -1.91 0.00 0.00 174.94 172.62 2hpt s ASP 24 N 0.78 5.14 -0.08 4.50 -1.08 0.10 -0.88 116.67 125.15 2hpt s ASP 24 Ca -0.08 -0.73 -0.01 0.00 -0.52 0.00 0.00 52.55 51.21 2hpt s ASP 24 Cb -0.12 -1.88 -0.03 0.00 -1.46 0.00 0.00 42.92 39.43 2hpt s ASP 24 CO -0.01 -0.20 -0.02 -0.76 0.52 0.00 0.00 175.17 174.70 2hpt s LEU 25 N 1.49 3.46 -0.11 -1.34 1.43 0.69 -1.08 118.68 123.24 2hpt s LEU 25 Ca 0.02 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.23 2hpt s LEU 25 Cb -0.17 -1.79 0.01 0.00 0.03 0.00 0.00 46.19 44.27 2hpt s LEU 25 CO 0.02 0.37 -0.16 -0.89 0.23 0.00 0.00 176.35 175.93 2hpt s THR 26 N -0.88 1.52 -0.23 5.49 2.01 0.03 -0.25 115.64 123.33 2hpt s THR 26 Ca 0.13 -0.66 -0.03 0.00 0.31 0.00 0.00 61.69 61.44 2hpt s THR 26 Cb -0.11 -1.39 0.00 0.00 0.01 0.00 0.00 72.50 71.01 2hpt s THR 26 CO 0.03 0.45 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.99 2hpt s PHE 27 N 0.96 2.99 -0.67 4.92 0.40 0.00 -0.89 117.98 125.69 2hpt s PHE 27 Ca -0.07 -1.14 -0.18 0.00 -0.60 0.00 0.00 56.93 54.94 2hpt s PHE 27 Cb -0.15 -2.10 0.12 0.00 0.51 0.00 0.00 43.02 41.41 2hpt s PHE 27 CO -0.01 -0.61 0.78 0.34 0.70 0.00 0.00 175.22 176.41 2hpt s ASP 28 N 1.43 6.32 -0.03 1.36 -1.08 -0.13 -0.33 116.67 124.21 2hpt s ASP 28 Ca 0.04 -1.67 -0.23 0.00 -0.52 0.00 0.00 52.55 50.17 2hpt s ASP 28 Cb -0.15 -2.31 -0.04 0.00 -1.46 0.00 0.00 42.92 38.96 2hpt s ASP 28 CO -0.04 -1.05 0.69 -0.76 0.52 0.00 0.00 175.17 174.54 2hpt s LEU 29 N 2.39 4.36 -0.25 -1.34 1.43 0.63 -1.73 118.68 124.18 2hpt s LEU 29 Ca 0.15 1.24 -0.23 0.00 -1.03 0.00 0.00 54.13 54.27 2hpt s LEU 29 Cb -0.20 -3.08 0.06 0.00 0.03 0.00 0.00 46.19 43.01 2hpt s LEU 29 CO 0.02 -0.05 0.65 -0.62 0.23 0.00 0.00 176.35 176.59 2hpt s ASP 30 N 0.42 -0.69 0.29 2.29 -1.08 -1.25 -4.57 116.67 112.09 2hpt s ASP 30 Ca 0.36 1.32 -0.03 0.00 -0.52 0.00 0.00 52.55 53.69 2hpt s ASP 30 Cb -0.18 1.33 0.41 0.00 -1.46 0.00 0.00 42.92 43.02 2hpt s ASP 30 CO 0.19 -0.23 1.96 0.00 0.52 0.00 0.00 175.17 177.61 2hpt h ALA 31 N 5.15 1.39 0.23 3.66 0.00 -1.97 -2.99 119.26 124.73 2hpt h ALA 31 Ca -0.29 -0.06 -0.31 0.00 0.00 0.00 0.00 54.91 54.25 2hpt h ALA 31 Cb 1.17 -0.34 0.04 0.00 0.00 0.00 0.00 17.79 18.65 2hpt h ALA 31 CO 0.09 0.56 -1.36 1.96 0.00 0.00 0.00 179.25 180.49 2hpt h GLN 32 N 1.16 0.52 -2.11 0.00 1.08 -1.94 0.30 115.11 114.13 2hpt h GLN 32 Ca 0.33 -0.87 -0.22 0.00 -1.45 0.00 0.00 58.65 56.44 2hpt h GLN 32 Cb -0.11 0.32 -0.32 0.00 -0.05 0.00 0.00 27.48 27.32 2hpt h GLN 32 CO -0.08 1.41 -0.54 0.21 -0.95 0.00 0.00 178.83 178.88 2hpt s LYS 33 N -2.62 0.30 -0.17 1.46 2.20 -1.13 -4.48 119.74 115.30 2hpt s LYS 33 Ca -0.10 0.36 -0.08 0.00 -0.36 0.00 0.00 55.97 55.79 2hpt s LYS 33 Cb 0.04 -0.72 -0.04 0.00 -1.51 0.00 0.00 37.83 35.59 2hpt s LYS 33 CO 0.93 -0.70 0.10 0.99 -0.36 0.00 0.00 175.35 176.31 2hpt s THR 34 N 2.46 5.13 -0.22 3.43 2.01 -0.62 -3.79 115.64 124.03 2hpt s THR 34 Ca 0.10 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.09 2hpt s THR 34 Cb -0.15 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.01 2hpt s THR 34 CO -0.17 0.49 0.12 -0.69 -0.69 0.00 0.00 174.62 173.69 2hpt s VAL 35 N 0.03 5.13 -0.18 3.82 1.01 -0.70 -1.61 120.40 127.90 2hpt s VAL 35 Ca 0.08 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.12 2hpt s VAL 35 Cb -0.12 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 2hpt s VAL 35 CO 0.00 0.39 -0.05 -0.69 0.00 0.00 0.00 175.10 174.76 2hpt s VAL 36 N 0.78 3.62 -0.18 2.92 1.01 0.52 -0.95 120.40 128.11 2hpt s VAL 36 Ca 0.06 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 2hpt s VAL 36 Cb -0.13 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 2hpt s VAL 36 CO 0.02 0.47 -0.04 -0.89 0.00 0.00 0.00 175.10 174.66 2hpt s THR 37 N 0.78 3.67 -0.19 3.92 2.01 -0.06 -1.03 115.64 124.74 2hpt s THR 37 Ca -0.02 -0.42 -0.00 0.00 0.31 0.00 0.00 61.69 61.56 2hpt s THR 37 Cb -0.15 -2.64 0.05 0.00 0.01 0.00 0.00 72.50 69.78 2hpt s THR 37 CO 0.02 0.46 -0.04 0.00 -0.69 0.00 0.00 174.62 174.36 2hpt s ALA 38 N 0.87 1.58 -0.36 7.40 0.00 0.56 -0.79 121.76 131.01 2hpt s ALA 38 Ca -0.01 -0.99 -0.09 0.00 0.00 0.00 0.00 51.96 50.87 2hpt s ALA 38 Cb -0.15 -1.24 0.03 0.00 0.00 0.00 0.00 23.12 21.77 2hpt s ALA 38 CO 0.01 -0.97 0.17 0.08 0.00 0.00 0.00 175.76 175.05 2hpt s VAL 39 N 1.58 4.30 -0.04 0.00 1.01 -0.24 -0.89 120.40 126.13 2hpt s VAL 39 Ca -0.02 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.12 2hpt s VAL 39 Cb -0.17 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2hpt s VAL 39 CO -0.07 -0.18 -0.22 -0.44 0.00 0.00 0.00 175.10 174.18 2hpt s SER 40 N 1.51 3.37 -0.32 3.32 0.01 0.33 -0.73 113.70 121.19 2hpt s SER 40 Ca 0.01 -0.39 -0.14 0.00 1.31 0.00 0.00 55.95 56.74 2hpt s SER 40 Cb -0.19 -0.62 -0.02 0.00 0.21 0.00 0.00 66.02 65.40 2hpt s SER 40 CO 0.05 0.31 0.29 -1.10 0.41 0.00 0.00 173.24 173.20 2hpt s GLN 41 N -0.54 3.64 0.15 12.44 -1.52 -0.50 -0.05 119.66 133.29 2hpt s GLN 41 Ca 0.07 -0.44 0.09 0.00 -1.95 0.00 0.00 55.36 53.13 2hpt s GLN 41 Cb -0.11 -3.77 -0.04 0.00 -0.22 0.00 0.00 33.01 28.87 2hpt s GLN 41 CO 0.00 -0.42 -0.13 0.00 -0.25 0.00 0.00 175.29 174.49 2hpt s ALA 42 N 1.87 2.83 -0.05 6.09 0.00 -0.10 -1.15 121.76 131.25 2hpt s ALA 42 Ca 0.09 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.63 2hpt s ALA 42 Cb -0.17 -0.70 0.03 0.00 0.00 0.00 0.00 23.12 22.28 2hpt s ALA 42 CO 0.11 0.53 0.01 0.08 0.00 0.00 0.00 175.76 176.49 2hpt s VAL 43 N -1.45 0.23 -0.26 0.00 1.01 -0.09 -2.28 120.40 117.57 2hpt s VAL 43 Ca 0.22 0.15 -0.28 0.00 0.00 0.00 0.00 61.98 62.07 2hpt s VAL 43 Cb -0.10 -0.38 0.01 0.00 0.00 0.00 0.00 36.38 35.91 2hpt s VAL 43 CO 0.13 0.21 0.99 -0.60 0.00 0.00 0.00 175.10 175.83 2hpt s ARG 44 N 1.65 4.19 -0.02 2.72 3.52 0.85 -0.23 118.95 131.63 2hpt s ARG 44 Ca -0.01 1.17 0.20 0.00 -0.13 0.00 0.00 55.73 56.97 2hpt s ARG 44 Cb -0.13 -3.67 -0.24 0.00 -1.56 0.00 0.00 34.95 29.36 2hpt s ARG 44 CO -0.03 -0.67 0.54 0.72 -0.81 0.00 0.00 175.30 175.05 2hpt n HIS 45 N 6.36 0.31 -1.87 5.12 8.25 0.17 -4.98 115.22 128.58 2hpt n HIS 45 Ca 0.10 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 2hpt n HIS 45 Cb 0.47 -0.78 0.00 0.00 1.12 0.00 0.00 29.99 30.80 2hpt n HIS 45 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hpt n GLY 46 N 1.37 0.61 3.77 -1.41 0.00 0.03 -5.01 105.19 104.55 2hpt n GLY 46 Ca -0.11 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 2hpt n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hpt s ALA 47 N -2.89 3.31 -0.88 4.61 0.00 -1.26 -4.88 121.76 119.77 2hpt s ALA 47 Ca 0.00 1.47 0.08 0.00 0.00 0.00 0.00 51.96 53.51 2hpt s ALA 47 Cb 0.00 -3.59 0.37 0.00 0.00 0.00 0.00 23.12 19.91 2hpt s ALA 47 CO 0.00 -1.13 1.26 -1.13 0.00 0.00 0.00 175.76 174.75 2hpt n SER 48 N -0.03 0.10 -1.02 0.00 3.41 -1.26 -1.01 113.62 113.81 2hpt n SER 48 Ca 0.04 0.54 0.08 0.00 -0.26 0.00 0.00 58.87 59.27 2hpt n SER 48 Cb 0.41 -0.56 0.25 0.00 -0.26 0.00 0.00 64.21 64.05 2hpt n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2hpt n ASP 49 N -1.63 3.64 -4.72 4.04 5.75 -1.26 -4.81 116.55 117.55 2hpt n ASP 49 Ca 0.01 -2.20 -0.41 0.00 -0.01 0.00 0.00 54.79 52.17 2hpt n ASP 49 Cb 0.07 -0.40 -0.04 0.00 -1.03 0.00 0.00 41.12 39.72 2hpt n ASP 49 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2hpt s ALA 50 N -1.37 3.23 0.59 2.12 0.00 -0.18 -4.93 121.76 121.23 2hpt s ALA 50 Ca 0.37 0.60 -0.10 0.00 0.00 0.00 0.00 51.96 52.82 2hpt s ALA 50 Cb 0.22 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 2hpt s ALA 50 CO 0.21 -0.13 0.98 -1.25 0.00 0.00 0.00 175.76 175.57 2hpt s PRO 51 N 0.38 3.60 -0.19 0.00 0.04 -1.26 -4.79 135.00 132.78 2hpt s PRO 51 Ca 0.49 0.66 -0.25 0.00 0.04 0.00 0.00 61.00 61.94 2hpt s PRO 51 Cb -0.23 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.16 2hpt s PRO 51 CO 0.30 -0.49 0.85 -1.17 0.04 0.00 0.00 177.00 176.53 2hpt s LEU 52 N -5.05 4.15 -0.28 -3.56 0.20 0.34 -4.90 118.68 109.57 2hpt s LEU 52 Ca 0.54 1.17 -0.04 0.00 0.69 0.00 0.00 54.13 56.48 2hpt s LEU 52 Cb -0.11 -3.25 0.02 0.00 -0.43 0.00 0.00 46.19 42.42 2hpt s LEU 52 CO 0.51 -0.44 0.02 -0.13 -0.29 0.00 0.00 176.35 176.02 2hpt s ARG 53 N 2.37 2.84 -0.11 1.98 0.52 -1.26 -0.46 118.95 124.83 2hpt s ARG 53 Ca 0.38 -1.00 -0.04 0.00 -0.52 0.00 0.00 55.73 54.55 2hpt s ARG 53 Cb -0.16 -3.21 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 2hpt s ARG 53 CO 0.11 -0.48 0.04 -0.51 0.02 0.00 0.00 175.30 174.48 2hpt s LEU 54 N 1.39 3.77 0.17 2.53 1.43 0.10 -4.81 118.68 123.26 2hpt s LEU 54 Ca 0.00 0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.98 2hpt s LEU 54 Cb -0.18 -1.89 -0.08 0.00 0.03 0.00 0.00 46.19 44.07 2hpt s LEU 54 CO -0.01 0.34 1.15 0.20 0.23 0.00 0.00 176.35 178.26 2hpt s ASN 55 N -0.61 7.17 -0.21 2.29 0.01 -0.38 -0.52 114.94 122.70 2hpt s ASN 55 Ca 0.11 2.14 -0.17 0.00 -0.71 0.00 0.00 52.86 54.23 2hpt s ASN 55 Cb -0.12 -2.60 0.06 0.00 0.41 0.00 0.00 41.25 38.99 2hpt s ASN 55 CO 0.02 -0.31 0.54 -0.83 -1.51 0.00 0.00 177.10 175.01 2hpt s GLY 56 N 0.10 -0.42 -0.07 0.66 0.00 -0.27 -2.07 107.32 105.26 2hpt s GLY 56 Ca 0.52 1.60 0.03 0.00 0.00 0.00 0.00 44.72 46.86 2hpt s GLY 56 CO 0.35 1.45 -0.15 -0.54 0.00 0.00 0.00 173.10 174.20 2hpt s GLU 57 N 0.52 1.98 -1.38 2.90 0.41 0.10 -3.92 118.70 119.30 2hpt s GLU 57 Ca -0.02 -0.54 -0.03 0.00 -0.41 0.00 0.00 54.97 53.97 2hpt s GLU 57 Cb -0.04 -1.60 0.02 0.00 -1.78 0.00 0.00 34.13 30.72 2hpt s GLU 57 CO -0.02 0.09 0.70 -0.25 -0.49 0.00 0.00 175.26 175.29 2hpt n ASP 58 N 3.64 -1.78 -4.48 -0.19 9.92 -1.26 -4.39 116.55 118.01 2hpt n ASP 58 Ca -0.21 -0.85 -0.33 0.00 -0.53 0.00 0.00 54.79 52.86 2hpt n ASP 58 Cb 0.52 -3.78 -0.13 0.00 -0.64 0.00 0.00 41.12 37.09 2hpt n ASP 58 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2hpt s LEU 59 N -6.87 2.86 -0.51 0.64 1.43 -1.26 -4.85 118.68 110.12 2hpt s LEU 59 Ca 0.16 -0.17 -0.16 0.00 -1.03 0.00 0.00 54.13 52.92 2hpt s LEU 59 Cb -0.08 -1.61 0.09 0.00 0.03 0.00 0.00 46.19 44.62 2hpt s LEU 59 CO 0.83 0.31 0.49 -0.75 0.23 0.00 0.00 176.35 177.46 2hpt s LYS 60 N -0.49 3.01 0.13 1.70 2.20 -0.18 -4.95 119.74 121.16 2hpt s LYS 60 Ca 0.07 -1.41 -0.31 0.00 -0.36 0.00 0.00 55.97 53.96 2hpt s LYS 60 Cb -0.12 -4.20 -0.08 0.00 -1.51 0.00 0.00 37.83 31.92 2hpt s LYS 60 CO 0.02 -1.21 1.34 -1.17 -0.36 0.00 0.00 175.35 173.97 2hpt s LEU 61 N 1.86 4.38 -0.20 5.43 0.20 -1.26 -0.11 118.68 128.99 2hpt s LEU 61 Ca 0.06 2.30 -0.04 0.00 0.69 0.00 0.00 54.13 57.13 2hpt s LEU 61 Cb -0.26 -3.59 -0.11 0.00 -0.43 0.00 0.00 46.19 41.81 2hpt s LEU 61 CO 0.06 -0.59 -0.22 0.52 -0.29 0.00 0.00 176.35 175.83 2hpt n VAL 62 N 3.57 1.11 -3.47 1.68 0.31 0.70 -4.93 118.33 117.30 2hpt n VAL 62 Ca 0.10 -0.35 -0.13 0.00 -0.01 0.00 0.00 64.34 63.94 2hpt n VAL 62 Cb 0.43 -1.48 -0.03 0.00 -0.91 0.00 0.00 33.84 31.85 2hpt n VAL 62 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2hpt s SER 63 N -6.35 -0.54 -0.07 4.52 1.04 -0.99 -4.97 113.70 106.33 2hpt s SER 63 Ca -0.27 0.10 -0.02 0.00 0.48 0.00 0.00 55.95 56.24 2hpt s SER 63 Cb 0.09 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.81 2hpt s SER 63 CO 0.40 -0.88 0.02 -0.69 0.98 0.00 0.00 173.24 173.08 2hpt s VAL 64 N -3.23 0.22 0.01 5.02 1.01 -1.26 -2.07 120.40 120.11 2hpt s VAL 64 Ca -0.01 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.20 2hpt s VAL 64 Cb -0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 2hpt s VAL 64 CO -0.08 0.20 -0.16 -1.00 0.00 0.00 0.00 175.10 174.05 2hpt s HIS 65 N 2.03 1.44 -0.21 5.22 3.76 -0.39 -0.59 115.29 126.56 2hpt s HIS 65 Ca 0.05 -0.31 0.01 0.00 -0.15 0.00 0.00 55.06 54.66 2hpt s HIS 65 Cb -0.13 -0.90 0.04 0.00 1.11 0.00 0.00 32.58 32.71 2hpt s HIS 65 CO -0.05 0.01 -0.14 0.42 -0.85 0.00 0.00 174.74 174.13 2hpt s ILE 66 N -0.56 1.93 -1.46 0.60 -1.09 -0.53 -0.38 121.20 119.70 2hpt s ILE 66 Ca 0.05 -1.14 -0.11 0.00 -2.23 0.00 0.00 60.65 57.22 2hpt s ILE 66 Cb -0.07 -1.91 0.06 0.00 -1.58 0.00 0.00 42.46 38.96 2hpt s ILE 66 CO 0.00 0.25 1.00 0.59 -1.23 0.00 0.00 174.94 175.56 2hpt n ASN 67 N 4.60 -4.68 0.00 3.58 3.02 0.14 -1.94 115.26 119.98 2hpt n ASN 67 Ca -0.17 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 2hpt n ASN 67 Cb 0.47 -4.20 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 2hpt n ASN 67 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2hpt n ASP 68 N -2.91 -1.23 -4.64 6.41 8.00 -1.26 -5.00 116.55 115.93 2hpt n ASP 68 Ca -0.01 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.09 2hpt n ASP 68 Cb 0.55 -1.30 -0.07 0.00 -0.02 0.00 0.00 41.12 40.28 2hpt n ASP 68 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2hpt s GLU 69 N -0.56 4.13 0.23 -1.24 2.56 -0.82 -5.01 118.70 117.99 2hpt s GLU 69 Ca 0.00 0.37 -0.32 0.00 0.00 0.00 0.00 54.97 55.03 2hpt s GLU 69 Cb 0.00 -3.60 -0.13 0.00 2.00 0.00 0.00 34.13 32.40 2hpt s GLU 69 CO 0.00 -0.25 1.54 -2.30 -0.56 0.00 0.00 175.26 173.69 2hpt n PRO 70 N 5.15 2.34 -3.99 4.30 -0.02 -1.26 -1.45 135.00 140.07 2hpt n PRO 70 Ca -0.04 0.84 -0.35 0.00 -2.02 0.00 0.00 63.50 61.92 2hpt n PRO 70 Cb 0.50 -2.58 -0.08 0.00 -0.02 0.00 0.00 33.50 31.32 2hpt n PRO 70 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 2hpt s TRP 71 N 0.35 3.37 -0.35 6.00 -0.11 0.24 -4.90 118.94 123.54 2hpt s TRP 71 Ca 0.70 0.28 0.13 0.00 1.22 0.00 0.00 56.10 58.44 2hpt s TRP 71 Cb -0.59 -2.00 -0.17 0.00 -1.50 0.00 0.00 33.47 29.21 2hpt s TRP 71 CO 0.44 0.42 0.44 0.25 -4.62 0.00 0.00 176.95 173.88 2hpt n THR 72 N 2.79 0.00 -2.64 5.86 -2.24 -1.26 -4.75 114.28 112.05 2hpt n THR 72 Ca -0.18 -0.24 -0.42 0.00 -2.27 0.00 0.00 64.05 60.94 2hpt n THR 72 Cb 0.53 0.65 0.01 0.00 -2.10 0.00 0.00 70.33 69.42 2hpt n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hpt n ALA 73 N -1.59 5.75 -2.54 6.98 0.00 -1.26 -4.93 120.51 122.92 2hpt n ALA 73 Ca 0.00 -4.57 -0.09 0.00 0.00 0.00 0.00 53.44 48.79 2hpt n ALA 73 Cb 0.27 -2.45 -0.08 0.00 0.00 0.00 0.00 19.45 17.19 2hpt n ALA 73 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 2hpt s TRP 74 N -2.63 0.33 -0.03 0.00 1.48 -1.26 -0.83 118.94 116.00 2hpt s TRP 74 Ca 0.38 -0.74 -0.17 0.00 -1.06 0.00 0.00 56.10 54.51 2hpt s TRP 74 Cb 0.12 -0.12 0.03 0.00 -1.16 0.00 0.00 33.47 32.34 2hpt s TRP 74 CO -0.02 -0.59 0.37 -1.59 -4.06 0.00 0.00 176.95 171.06 2hpt s LYS 75 N -3.92 0.71 -0.08 3.25 -2.85 -0.15 -5.00 119.74 111.70 2hpt s LYS 75 Ca 0.11 -0.08 -0.19 0.00 -1.00 0.00 0.00 55.97 54.82 2hpt s LYS 75 Cb 0.05 0.32 -0.05 0.00 -2.06 0.00 0.00 37.83 36.09 2hpt s LYS 75 CO -0.06 -0.20 0.50 -1.21 0.10 0.00 0.00 175.35 174.49 2hpt s GLU 76 N -1.21 4.29 0.01 1.78 2.02 -1.26 -0.60 118.70 123.74 2hpt s GLU 76 Ca -0.12 0.52 0.00 0.00 0.02 0.00 0.00 54.97 55.39 2hpt s GLU 76 Cb -0.04 -3.39 -0.00 0.00 0.10 0.00 0.00 34.13 30.79 2hpt s GLU 76 CO 0.05 0.25 0.00 -0.85 0.02 0.00 0.00 175.26 174.73 2hpt n GLU 77 N 3.28 1.37 -1.64 1.61 0.28 -0.67 -5.00 120.64 119.87 2hpt n GLU 77 Ca -0.07 -0.10 -0.43 0.00 -0.16 0.00 0.00 57.16 56.40 2hpt n GLU 77 Cb 0.52 0.04 -0.03 0.00 1.43 0.00 0.00 31.44 33.40 2hpt n GLU 77 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 2hpt s GLU 78 N -2.05 3.60 -0.18 3.44 2.56 -1.26 -1.94 118.70 122.88 2hpt s GLU 78 Ca 0.00 2.29 0.00 0.00 0.00 0.00 0.00 54.97 57.27 2hpt s GLU 78 Cb 0.00 -4.27 0.00 0.00 2.00 0.00 0.00 34.13 31.86 2hpt s GLU 78 CO 0.00 -1.57 0.00 0.41 -0.56 0.00 0.00 175.26 173.54 2hpt n GLY 79 N 5.19 0.40 3.22 -1.50 0.00 -1.26 -4.98 105.19 106.26 2hpt n GLY 79 Ca 0.25 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 2hpt n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hpt s ALA 80 N -1.63 -0.45 -0.20 4.61 0.00 -0.82 -1.11 121.76 122.16 2hpt s ALA 80 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 51.96 51.66 2hpt s ALA 80 Cb 0.00 0.40 0.05 0.00 0.00 0.00 0.00 23.12 23.57 2hpt s ALA 80 CO 0.00 -0.46 -0.10 -1.17 0.00 0.00 0.00 175.76 174.04 2hpt s LEU 81 N -2.43 2.35 -0.25 0.00 2.96 0.33 -1.66 118.68 119.97 2hpt s LEU 81 Ca -0.01 -0.94 -0.08 0.00 -0.22 0.00 0.00 54.13 52.88 2hpt s LEU 81 Cb 0.01 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 2hpt s LEU 81 CO -0.07 -0.16 0.10 -0.69 -1.32 0.00 0.00 176.35 174.21 2hpt s VAL 82 N 1.39 4.65 -0.15 1.68 1.01 0.24 -0.73 120.40 128.48 2hpt s VAL 82 Ca -0.02 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2hpt s VAL 82 Cb -0.17 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.05 2hpt s VAL 82 CO -0.08 0.33 -0.20 -0.63 0.00 0.00 0.00 175.10 174.52 2hpt s ILE 83 N 1.51 1.97 0.31 2.22 1.01 0.39 -0.98 121.20 127.63 2hpt s ILE 83 Ca 0.06 -0.90 0.07 0.00 0.00 0.00 0.00 60.65 59.88 2hpt s ILE 83 Cb -0.15 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 2hpt s ILE 83 CO 0.05 0.53 0.26 -0.44 0.00 0.00 0.00 174.94 175.35 2hpt s SER 84 N 1.05 5.33 -1.11 3.58 0.01 -0.01 -0.50 113.70 122.04 2hpt s SER 84 Ca -0.02 -0.44 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 2hpt s SER 84 Cb -0.14 -1.07 0.00 0.00 0.21 0.00 0.00 66.02 65.02 2hpt s SER 84 CO -0.06 -0.27 0.93 0.59 0.41 0.00 0.00 173.24 174.83 2hpt n ASN 85 N -1.32 -2.65 -4.92 2.44 3.02 -1.26 -4.80 115.26 105.77 2hpt n ASN 85 Ca -0.03 -0.55 -0.28 0.00 -0.03 0.00 0.00 54.58 53.69 2hpt n ASN 85 Cb 0.59 -4.67 -0.03 0.00 -0.61 0.00 0.00 39.78 35.06 2hpt n ASN 85 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2hpt s LEU 86 N -6.06 4.23 0.00 3.41 1.43 -1.26 -5.10 118.68 115.32 2hpt s LEU 86 Ca 0.08 0.44 -0.19 0.00 -1.03 0.00 0.00 54.13 53.43 2hpt s LEU 86 Cb -0.04 -3.20 0.28 0.00 0.03 0.00 0.00 46.19 43.26 2hpt s LEU 86 CO 0.66 -0.03 1.02 -0.81 0.23 0.00 0.00 176.35 177.42 2hpt n PRO 87 N -0.53 -3.00 0.05 1.29 -0.04 -1.26 -4.96 135.00 126.56 2hpt n PRO 87 Ca -0.04 -1.63 -0.11 0.00 -0.04 0.00 0.00 63.50 61.68 2hpt n PRO 87 Cb 0.53 -1.53 -0.00 0.00 -0.04 0.00 0.00 33.50 32.47 2hpt n PRO 87 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2hpt h GLU 88 N 0.00 0.41 -4.29 0.54 4.81 -1.95 -3.44 114.58 110.67 2hpt h GLU 88 Ca -0.38 -0.37 -0.40 0.00 -0.13 0.00 0.00 59.36 58.07 2hpt h GLU 88 Cb 1.17 0.09 -0.32 0.00 0.63 0.00 0.00 28.75 30.32 2hpt h GLU 88 CO 0.25 1.02 -0.77 1.03 -0.73 0.00 0.00 179.01 179.81 2hpt s ARG 89 N -3.50 0.82 0.20 1.92 0.52 -1.26 -0.10 118.95 117.55 2hpt s ARG 89 Ca -0.06 -0.20 -0.22 0.00 -0.52 0.00 0.00 55.73 54.73 2hpt s ARG 89 Cb 0.10 -0.79 0.05 0.00 0.52 0.00 0.00 34.95 34.83 2hpt s ARG 89 CO 0.85 0.03 0.64 -0.59 0.02 0.00 0.00 175.30 176.25 2hpt s PHE 90 N 0.45 -0.42 -0.33 -0.53 -0.12 -0.97 -5.01 117.98 111.06 2hpt s PHE 90 Ca -0.06 0.12 -0.14 0.00 -0.05 0.00 0.00 56.93 56.80 2hpt s PHE 90 Cb -0.10 0.61 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 2hpt s PHE 90 CO 0.00 -0.98 0.31 0.99 -0.05 0.00 0.00 175.22 175.49 2hpt s THR 91 N -3.80 5.22 -0.16 -4.49 2.01 -1.26 -0.93 115.64 112.23 2hpt s THR 91 Ca 0.04 0.01 -0.21 0.00 0.31 0.00 0.00 61.69 61.85 2hpt s THR 91 Cb -0.03 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 2hpt s THR 91 CO -0.06 -0.01 0.62 -0.22 -0.69 0.00 0.00 174.62 174.26 2hpt s LEU 92 N 1.90 4.20 -0.19 4.42 2.96 0.92 -0.68 118.68 132.21 2hpt s LEU 92 Ca 0.10 0.90 -0.01 0.00 -0.22 0.00 0.00 54.13 54.90 2hpt s LEU 92 Cb -0.17 -2.90 0.00 0.00 0.50 0.00 0.00 46.19 43.63 2hpt s LEU 92 CO 0.11 -0.20 -0.13 -0.75 -1.32 0.00 0.00 176.35 174.06 2hpt s LYS 93 N 1.50 3.19 -0.14 1.98 2.20 0.48 -0.51 119.74 128.43 2hpt s LYS 93 Ca 0.30 -0.73 -0.03 0.00 -0.36 0.00 0.00 55.97 55.15 2hpt s LYS 93 Cb -0.16 -2.76 -0.03 0.00 -1.51 0.00 0.00 37.83 33.38 2hpt s LYS 93 CO 0.12 -0.16 -0.05 0.42 -0.36 0.00 0.00 175.35 175.32 2hpt s ILE 94 N 1.28 3.81 -0.13 5.43 -1.09 -0.07 -1.26 121.20 129.17 2hpt s ILE 94 Ca 0.04 -0.39 -0.00 0.00 -2.23 0.00 0.00 60.65 58.06 2hpt s ILE 94 Cb -0.14 -2.65 -0.02 0.00 -1.58 0.00 0.00 42.46 38.07 2hpt s ILE 94 CO -0.07 0.51 -0.13 -0.63 -1.23 0.00 0.00 174.94 173.39 2hpt s ILE 95 N 0.24 3.10 0.09 2.92 1.01 -0.88 -0.33 121.20 127.35 2hpt s ILE 95 Ca -0.03 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 2hpt s ILE 95 Cb -0.14 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.04 2hpt s ILE 95 CO 0.03 0.52 0.26 0.54 0.00 0.00 0.00 174.94 176.30 2hpt s ASN 96 N 0.32 -0.01 -0.01 3.58 4.22 -0.19 -0.21 114.94 122.63 2hpt s ASN 96 Ca -0.10 -0.47 0.02 0.00 -2.14 0.00 0.00 52.86 50.17 2hpt s ASN 96 Cb -0.16 0.37 -0.03 0.00 1.28 0.00 0.00 41.25 42.71 2hpt s ASN 96 CO 0.05 -0.72 -0.06 -1.61 -2.04 0.00 0.00 177.10 172.72 2hpt s GLU 97 N -3.52 2.63 0.30 3.55 2.02 0.85 -0.36 118.70 124.17 2hpt s GLU 97 Ca 0.02 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.37 2hpt s GLU 97 Cb 0.03 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.67 2hpt s GLU 97 CO -0.09 0.62 0.13 0.96 0.02 0.00 0.00 175.26 176.89 2hpt s ILE 98 N -0.98 0.49 -0.38 -1.63 -4.36 -0.64 -1.01 121.20 112.70 2hpt s ILE 98 Ca 0.17 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.56 2hpt s ILE 98 Cb -0.11 -2.56 0.13 0.00 1.25 0.00 0.00 42.46 41.17 2hpt s ILE 98 CO 0.07 0.00 0.21 -0.55 0.24 0.00 0.00 174.94 174.91 2hpt s SER 99 N -3.39 3.40 0.29 4.36 0.15 -1.26 -1.59 113.70 115.65 2hpt s SER 99 Ca 0.35 -2.29 0.03 0.00 0.70 0.00 0.00 55.95 54.74 2hpt s SER 99 Cb 0.06 -0.72 0.68 0.00 -1.71 0.00 0.00 66.02 64.32 2hpt s SER 99 CO 0.16 -0.31 1.73 -0.65 1.20 0.00 0.00 173.24 175.37 2hpt h PRO 100 N 7.05 0.51 -0.15 5.44 0.11 -1.71 -1.88 132.00 141.38 2hpt h PRO 100 Ca -0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 2hpt h PRO 100 Cb 0.96 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 2hpt h PRO 100 CO 0.39 0.34 0.09 0.00 -0.21 0.00 0.00 178.00 178.61 2hpt h ALA 101 N 1.65 1.87 -0.01 -0.75 0.00 -0.71 -1.59 119.26 119.73 2hpt h ALA 101 Ca 0.54 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2hpt h ALA 101 Cb 0.93 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2hpt h ALA 101 CO -0.45 0.11 -0.07 0.00 0.00 0.00 0.00 179.25 178.84 2hpt n ALA 102 N -2.51 2.72 -2.75 0.00 0.00 -0.71 -4.76 120.51 112.50 2hpt n ALA 102 Ca -0.01 -0.36 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 2hpt n ALA 102 Cb 0.09 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 2hpt n ALA 102 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2hpt s ASN 103 N -2.18 6.74 0.32 0.00 3.84 -0.60 -4.79 114.94 118.28 2hpt s ASN 103 Ca 0.35 -2.19 0.19 0.00 0.21 0.00 0.00 52.86 51.42 2hpt s ASN 103 Cb 0.21 -2.49 0.15 0.00 -0.55 0.00 0.00 41.25 38.57 2hpt s ASN 103 CO 0.40 -1.14 1.43 0.71 -2.79 0.00 0.00 177.10 175.71 2hpt h THR 104 N 5.78 0.43 0.00 -5.21 1.35 -1.86 -3.31 112.91 110.09 2hpt h THR 104 Ca 0.28 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 2hpt h THR 104 Cb 0.95 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 2hpt h THR 104 CO 1.31 0.24 0.00 0.00 -0.25 0.00 0.00 175.52 176.83 2hpt h ALA 105 N 1.73 1.00 -4.38 6.62 0.00 -1.80 -3.41 119.26 119.01 2hpt h ALA 105 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 2hpt h ALA 105 Cb 1.22 0.00 0.10 0.00 0.00 0.00 0.00 17.79 19.11 2hpt h ALA 105 CO 0.03 0.00 -0.49 1.28 0.00 0.00 0.00 179.25 180.07 2hpt n LEU 106 N -2.88 -3.15 -3.94 0.00 4.77 -1.25 -4.81 117.00 105.74 2hpt n LEU 106 Ca 0.02 -0.39 -0.18 0.00 -0.03 0.00 0.00 56.01 55.43 2hpt n LEU 106 Cb 0.35 -2.26 -0.15 0.00 -2.33 0.00 0.00 43.42 39.03 2hpt n LEU 106 CO 0.28 0.37 -0.41 -1.83 -1.33 0.00 0.00 177.39 174.46 2hpt s GLU 107 N -5.47 0.65 3.15 3.23 -1.05 -1.26 -4.69 118.70 113.26 2hpt s GLU 107 Ca 0.22 -0.18 0.00 0.00 -0.15 0.00 0.00 54.97 54.87 2hpt s GLU 107 Cb -0.10 -0.65 0.00 0.00 -0.44 0.00 0.00 34.13 32.94 2hpt s GLU 107 CO 0.50 0.05 0.00 0.41 0.95 0.00 0.00 175.26 177.17 2hpt n GLY 108 N 3.39 0.52 3.67 -3.83 0.00 0.23 -4.84 105.19 104.33 2hpt n GLY 108 Ca -0.19 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.37 2hpt n GLY 108 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hpt s LEU 109 N 0.00 4.15 0.00 0.99 2.96 -1.26 -0.84 118.68 124.67 2hpt s LEU 109 Ca 0.00 0.39 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 2hpt s LEU 109 Cb 0.00 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.29 2hpt s LEU 109 CO 0.00 -0.03 0.21 0.00 -1.32 0.00 0.00 176.35 175.22 2hpt n TYR 110 N 4.39 -0.66 -3.93 5.38 0.18 0.10 -4.32 117.16 118.32 2hpt n TYR 110 Ca -0.10 -1.74 -0.35 0.00 1.88 0.00 0.00 57.90 57.59 2hpt n TYR 110 Cb 0.51 0.23 -0.10 0.00 -0.38 0.00 0.00 39.34 39.60 2hpt n TYR 110 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 2hpt s GLN 111 N -2.78 3.95 -0.37 -3.48 -0.21 -1.25 -1.61 119.66 113.91 2hpt s GLN 111 Ca 0.24 -0.35 0.03 0.00 0.02 0.00 0.00 55.36 55.30 2hpt s GLN 111 Cb 0.01 -3.28 0.11 0.00 1.00 0.00 0.00 33.01 30.85 2hpt s GLN 111 CO 0.17 0.19 0.10 0.45 -2.12 0.00 0.00 175.29 174.08 2hpt s SER 112 N 0.61 4.81 1.93 5.90 0.15 -0.14 -4.95 113.70 122.02 2hpt s SER 112 Ca 0.04 -2.23 0.00 0.00 0.70 0.00 0.00 55.95 54.46 2hpt s SER 112 Cb -0.13 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 2hpt s SER 112 CO 0.01 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.67 2hpt n GLY 113 N 4.18 3.67 0.02 9.45 0.00 -1.26 -1.65 105.19 119.60 2hpt n GLY 113 Ca 0.03 0.22 0.11 0.00 0.00 0.00 0.00 46.02 46.38 2hpt n GLY 113 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hpt n ASP 114 N 9.44 0.64 -4.80 1.61 8.00 -1.26 -4.94 116.55 125.24 2hpt n ASP 114 Ca 0.00 -0.36 -0.33 0.00 0.71 0.00 0.00 54.79 54.82 2hpt n ASP 114 Cb 0.00 0.82 0.02 0.00 -0.02 0.00 0.00 41.12 41.95 2hpt n ASP 114 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hpt s ALA 115 N -3.15 2.68 -0.12 2.24 0.00 -0.66 -4.89 121.76 117.87 2hpt s ALA 115 Ca 0.05 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.38 2hpt s ALA 115 Cb 0.15 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 2hpt s ALA 115 CO 0.81 -0.93 -0.02 -0.51 0.00 0.00 0.00 175.76 175.10 2hpt s LEU 116 N -4.66 3.39 0.23 0.00 1.43 0.82 -0.97 118.68 118.93 2hpt s LEU 116 Ca 0.64 0.00 -0.08 0.00 -1.03 0.00 0.00 54.13 53.66 2hpt s LEU 116 Cb -0.17 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 2hpt s LEU 116 CO 0.39 0.28 0.34 0.00 0.23 0.00 0.00 176.35 177.59 2hpt s THR 118 N -4.06 2.72 -0.11 0.00 -4.23 -1.05 -0.72 115.64 108.18 2hpt s THR 118 Ca 0.29 -1.87 -0.02 0.00 -1.18 0.00 0.00 61.69 58.91 2hpt s THR 118 Cb 0.02 -2.32 0.04 0.00 1.34 0.00 0.00 72.50 71.58 2hpt s THR 118 CO 0.10 -0.11 0.02 -1.58 -0.54 0.00 0.00 174.62 172.52 2hpt s GLN 119 N -2.73 0.51 -0.01 3.99 2.00 -0.02 -4.85 119.66 118.54 2hpt s GLN 119 Ca 0.22 -0.02 0.13 0.00 -2.00 0.00 0.00 55.36 53.69 2hpt s GLN 119 Cb -0.08 -1.30 -0.19 0.00 0.80 0.00 0.00 33.01 32.23 2hpt s GLN 119 CO 0.12 -0.42 0.32 0.00 -0.50 0.00 0.00 175.29 174.80 2hpt s GLU 121 N -2.78 4.41 -0.08 0.00 2.12 -1.24 -1.00 118.70 120.14 2hpt s GLU 121 Ca -0.03 0.99 -0.26 0.00 0.36 0.00 0.00 54.97 56.03 2hpt s GLU 121 Cb 0.08 -3.22 -0.25 0.00 0.26 0.00 0.00 34.13 31.00 2hpt s GLU 121 CO 0.53 0.58 0.94 0.00 -0.54 0.00 0.00 175.26 176.77 2hpt h ALA 122 N 4.31 0.01 -1.28 6.30 0.00 -1.94 -3.43 119.26 123.22 2hpt h ALA 122 Ca -0.48 -0.49 -0.50 0.00 0.00 0.00 0.00 54.91 53.44 2hpt h ALA 122 Cb 1.21 0.02 -0.41 0.00 0.00 0.00 0.00 17.79 18.60 2hpt h ALA 122 CO 0.65 0.07 -0.90 0.39 0.00 0.00 0.00 179.25 179.46 2hpt n GLU 123 N -4.52 2.62 0.01 0.00 1.02 -1.18 -4.73 120.64 113.86 2hpt n GLU 123 Ca -0.10 -4.04 0.09 0.00 -0.02 0.00 0.00 57.16 53.09 2hpt n GLU 123 Cb 0.52 -1.89 -0.13 0.00 -0.02 0.00 0.00 31.44 29.92 2hpt n GLU 123 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hpt n GLY 124 N -0.35 -1.11 0.20 0.62 0.00 -0.17 -4.15 105.19 100.24 2hpt n GLY 124 Ca 0.28 -0.43 0.01 0.00 0.00 0.00 0.00 46.02 45.88 2hpt n GLY 124 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2hpt h PHE 125 N 0.00 0.15 0.00 1.61 3.57 -1.82 0.16 116.94 120.61 2hpt h PHE 125 Ca -0.04 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2hpt h PHE 125 Cb 1.10 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.80 2hpt h PHE 125 CO 0.00 0.45 0.00 2.89 -2.23 0.00 0.00 178.31 179.42 2hpt n ARG 126 N -4.11 0.03 0.00 1.11 1.85 -1.26 -1.04 116.66 113.24 2hpt n ARG 126 Ca -0.01 0.38 0.15 0.00 -1.00 0.00 0.00 57.85 57.37 2hpt n ARG 126 Cb 0.40 -1.58 0.79 0.00 -1.05 0.00 0.00 32.46 31.02 2hpt n ARG 126 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2hpt n HIS 127 N -1.65 0.00 -0.07 2.89 8.25 0.04 -0.72 115.22 123.96 2hpt n HIS 127 Ca 0.02 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 2hpt n HIS 127 Cb 0.11 -0.13 -0.06 0.00 1.12 0.00 0.00 29.99 31.03 2hpt n HIS 127 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2hpt n ILE 128 N -1.00 0.84 -3.78 1.59 5.41 -0.21 -4.67 119.36 117.55 2hpt n ILE 128 Ca 0.19 -0.29 -0.09 0.00 1.00 0.00 0.00 62.75 63.56 2hpt n ILE 128 Cb 0.20 -1.22 -0.03 0.00 -0.71 0.00 0.00 39.64 37.89 2hpt n ILE 128 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2hpt s THR 129 N -2.29 0.01 -0.18 1.39 -1.32 -1.07 -4.84 115.64 107.34 2hpt s THR 129 Ca -0.20 -0.84 -0.29 0.00 -1.21 0.00 0.00 61.69 59.15 2hpt s THR 129 Cb 0.06 -1.75 -0.01 0.00 -1.51 0.00 0.00 72.50 69.30 2hpt s THR 129 CO 0.32 -0.04 1.15 -0.31 -2.21 0.00 0.00 174.62 173.53 2hpt s TYR 130 N -3.89 3.13 0.20 9.09 2.02 -1.26 -4.17 117.35 122.46 2hpt s TYR 130 Ca 0.10 1.26 -0.14 0.00 -0.37 0.00 0.00 57.07 57.92 2hpt s TYR 130 Cb -0.03 -3.38 0.01 0.00 -0.40 0.00 0.00 41.96 38.16 2hpt s TYR 130 CO 0.01 -1.06 0.45 -0.47 -1.57 0.00 0.00 175.55 172.91 2hpt s TYR 131 N 3.13 0.15 -1.26 2.71 5.04 -0.88 -4.90 117.35 121.34 2hpt s TYR 131 Ca 0.50 -0.51 -0.19 0.00 -2.44 0.00 0.00 57.07 54.43 2hpt s TYR 131 Cb -0.19 0.22 0.01 0.00 0.35 0.00 0.00 41.96 42.35 2hpt s TYR 131 CO 0.12 -0.89 1.87 1.28 -1.34 0.00 0.00 175.55 176.59 2hpt n LEU 132 N -0.32 4.66 -3.77 6.97 4.77 -1.26 -1.24 117.00 126.80 2hpt n LEU 132 Ca -0.07 -3.69 -0.42 0.00 -0.03 0.00 0.00 56.01 51.80 2hpt n LEU 132 Cb 0.62 -1.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 2hpt n LEU 132 CO 0.20 -0.27 2.41 -0.67 -1.33 0.00 0.00 177.39 177.74 2hpt n ASP 133 N 9.58 4.42 -3.71 -1.43 -0.08 -1.26 -4.80 116.55 119.27 2hpt n ASP 133 Ca 0.48 -2.95 -0.11 0.00 -1.51 0.00 0.00 54.79 50.70 2hpt n ASP 133 Cb 0.45 -1.59 -0.11 0.00 2.34 0.00 0.00 41.12 42.22 2hpt n ASP 133 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2hpt s ARG 134 N 2.06 0.40 0.00 -0.67 1.70 -1.26 -4.97 118.95 116.21 2hpt s ARG 134 Ca 0.44 0.69 0.18 0.00 -0.47 0.00 0.00 55.73 56.57 2hpt s ARG 134 Cb 0.12 0.05 0.86 0.00 -0.57 0.00 0.00 34.95 35.42 2hpt s ARG 134 CO -0.05 -0.12 1.53 -0.35 -1.08 0.00 0.00 175.30 175.23 2hpt n PRO 135 N 3.78 0.20 -0.00 3.89 -0.04 -1.26 -2.52 135.00 139.05 2hpt n PRO 135 Ca -0.20 0.14 0.15 0.00 -0.04 0.00 0.00 63.50 63.54 2hpt n PRO 135 Cb 0.56 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 33.21 2hpt n PRO 135 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2hpt n ASP 136 N -1.33 0.89 -4.47 3.54 5.75 -1.22 -4.58 116.55 115.12 2hpt n ASP 136 Ca 0.08 -1.31 -0.42 0.00 -0.01 0.00 0.00 54.79 53.13 2hpt n ASP 136 Cb 0.15 -0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.14 2hpt n ASP 136 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2hpt s VAL 137 N -1.99 5.19 -0.23 2.12 1.01 -1.05 -4.92 120.40 120.53 2hpt s VAL 137 Ca 0.42 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.84 2hpt s VAL 137 Cb 0.21 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.80 2hpt s VAL 137 CO 0.34 -0.20 -0.07 -0.76 0.00 0.00 0.00 175.10 174.41 2hpt s LEU 138 N 1.68 2.99 0.08 3.92 1.02 -1.26 -3.83 118.68 123.27 2hpt s LEU 138 Ca 0.05 -0.72 0.06 0.00 0.02 0.00 0.00 54.13 53.54 2hpt s LEU 138 Cb -0.18 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.33 2hpt s LEU 138 CO 0.10 -0.09 -0.17 0.00 0.02 0.00 0.00 176.35 176.21 2hpt s ALA 139 N 1.36 1.41 -0.26 4.21 0.00 -0.55 -4.57 121.76 123.37 2hpt s ALA 139 Ca 0.02 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 2hpt s ALA 139 Cb -0.16 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.80 2hpt s ALA 139 CO -0.05 0.25 1.11 1.03 0.00 0.00 0.00 175.76 178.10 2hpt s ARG 140 N -1.68 4.16 -0.03 0.00 0.52 -0.68 -1.32 118.95 119.92 2hpt s ARG 140 Ca 0.02 1.30 -0.18 0.00 -0.52 0.00 0.00 55.73 56.34 2hpt s ARG 140 Cb -0.10 -3.71 -0.05 0.00 0.52 0.00 0.00 34.95 31.61 2hpt s ARG 140 CO 0.03 -0.78 0.50 -0.06 0.02 0.00 0.00 175.30 175.01 2hpt s PHE 141 N 3.50 3.66 -0.02 -0.53 0.40 -1.25 -0.73 117.98 123.01 2hpt s PHE 141 Ca 0.47 1.05 0.05 0.00 -0.60 0.00 0.00 56.93 57.90 2hpt s PHE 141 Cb -0.15 -2.48 -0.01 0.00 0.51 0.00 0.00 43.02 40.88 2hpt s PHE 141 CO 0.12 0.41 -0.17 0.95 0.70 0.00 0.00 175.22 177.23 2hpt s THR 142 N -0.32 1.34 -0.14 0.64 -4.23 -0.06 -2.03 115.64 110.85 2hpt s THR 142 Ca 0.27 -0.71 -0.02 0.00 -1.18 0.00 0.00 61.69 60.05 2hpt s THR 142 Cb -0.17 -1.13 0.04 0.00 1.34 0.00 0.00 72.50 72.58 2hpt s THR 142 CO 0.14 0.38 0.01 -0.89 -0.54 0.00 0.00 174.62 173.72 2hpt s THR 143 N -0.27 0.54 -0.20 3.99 2.01 0.18 -0.22 115.64 121.67 2hpt s THR 143 Ca 0.04 -0.29 -0.09 0.00 0.31 0.00 0.00 61.69 61.66 2hpt s THR 143 Cb -0.08 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 2hpt s THR 143 CO 0.00 0.02 0.09 -0.75 -0.69 0.00 0.00 174.62 173.30 2hpt s LYS 144 N 1.88 4.02 -0.11 4.92 2.20 0.65 -0.22 119.74 133.07 2hpt s LYS 144 Ca 0.02 -0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.34 2hpt s LYS 144 Cb -0.15 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.84 2hpt s LYS 144 CO -0.07 0.21 -0.20 0.42 -0.36 0.00 0.00 175.35 175.36 2hpt s ILE 145 N 0.57 2.46 -0.12 5.43 1.01 0.14 -0.82 121.20 129.87 2hpt s ILE 145 Ca 0.05 -0.87 0.02 0.00 0.00 0.00 0.00 60.65 59.85 2hpt s ILE 145 Cb -0.12 -1.98 0.01 0.00 0.01 0.00 0.00 42.46 40.37 2hpt s ILE 145 CO 0.01 0.55 -0.19 -0.63 0.00 0.00 0.00 174.94 174.68 2hpt s ILE 146 N 0.36 1.77 0.17 2.92 1.01 0.55 -1.29 121.20 126.68 2hpt s ILE 146 Ca -0.15 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.52 2hpt s ILE 146 Cb -0.17 -1.59 0.03 0.00 0.01 0.00 0.00 42.46 40.74 2hpt s ILE 146 CO 0.07 0.49 0.47 0.00 0.00 0.00 0.00 174.94 175.98 2hpt s ALA 147 N 0.89 -0.93 0.04 9.38 0.00 -0.33 -0.27 121.76 130.53 2hpt s ALA 147 Ca -0.07 -0.14 -0.32 0.00 0.00 0.00 0.00 51.96 51.42 2hpt s ALA 147 Cb -0.15 0.80 -0.11 0.00 0.00 0.00 0.00 23.12 23.65 2hpt s ALA 147 CO -0.01 -0.74 1.84 -3.47 0.00 0.00 0.00 175.76 173.38 2hpt n ASP 148 N -0.30 3.72 -0.09 0.00 2.03 -1.26 -1.06 116.55 119.59 2hpt n ASP 148 Ca -0.13 0.98 -0.07 0.00 0.52 0.00 0.00 54.79 56.09 2hpt n ASP 148 Cb 0.63 -1.46 0.10 0.00 -0.72 0.00 0.00 41.12 39.67 2hpt n ASP 148 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2hpt h LYS 149 N 8.77 0.78 -0.25 -0.67 3.64 -0.97 0.64 116.57 128.53 2hpt h LYS 149 Ca -0.48 -0.30 -0.19 0.00 -1.27 0.00 0.00 60.65 58.41 2hpt h LYS 149 Cb 1.25 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2hpt h LYS 149 CO 0.94 0.91 -0.60 0.82 -2.27 0.00 0.00 179.45 179.24 2hpt h ILE 150 N 0.69 1.28 0.02 2.00 2.04 -1.91 -2.65 117.51 118.98 2hpt h ILE 150 Ca 0.10 -1.79 -0.19 0.00 1.00 0.00 0.00 64.86 63.98 2hpt h ILE 150 Cb 0.69 1.74 0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2hpt h ILE 150 CO 0.05 0.58 -0.76 0.50 0.00 0.00 0.00 178.15 178.52 2hpt h LYS 151 N 0.61 0.48 -2.59 2.37 3.64 -1.94 -3.39 116.57 115.75 2hpt h LYS 151 Ca -0.01 -0.55 -0.60 0.00 -1.27 0.00 0.00 60.65 58.22 2hpt h LYS 151 Cb 1.22 0.16 -0.41 0.00 -0.41 0.00 0.00 32.23 32.79 2hpt h LYS 151 CO 0.13 1.19 -0.66 0.66 -2.27 0.00 0.00 179.45 178.50 2hpt n TYR 152 N -4.10 2.76 0.13 1.91 4.01 0.22 -4.13 117.16 117.96 2hpt n TYR 152 Ca -0.11 -4.11 0.00 0.00 -0.16 0.00 0.00 57.90 53.53 2hpt n TYR 152 Cb 0.75 -0.50 0.30 0.00 -0.31 0.00 0.00 39.34 39.59 2hpt n TYR 152 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 2hpt h PRO 153 N 4.83 0.15 -5.03 -0.72 0.13 -1.41 -3.42 132.00 126.52 2hpt h PRO 153 Ca 0.17 -0.06 -0.63 0.00 -0.87 0.00 0.00 66.00 64.62 2hpt h PRO 153 Cb 0.74 -0.01 -0.16 0.00 0.13 0.00 0.00 31.00 31.70 2hpt h PRO 153 CO 0.71 0.48 -0.53 -0.06 -0.23 0.00 0.00 178.00 178.38 2hpt s PHE 154 N -4.26 3.26 -0.26 1.56 0.08 -0.69 -5.00 117.98 112.67 2hpt s PHE 154 Ca -0.04 0.12 0.01 0.00 0.12 0.00 0.00 56.93 57.14 2hpt s PHE 154 Cb 0.14 -2.28 0.07 0.00 -0.57 0.00 0.00 43.02 40.38 2hpt s PHE 154 CO 0.75 -0.03 -0.04 -0.51 -0.10 0.00 0.00 175.22 175.28 2hpt s LEU 155 N 1.26 2.94 -0.01 -0.37 1.43 -1.26 -1.96 118.68 120.71 2hpt s LEU 155 Ca 0.07 -1.36 0.08 0.00 -1.03 0.00 0.00 54.13 51.89 2hpt s LEU 155 Cb -0.14 -1.27 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 2hpt s LEU 155 CO 0.06 -0.26 -0.25 -0.76 0.23 0.00 0.00 176.35 175.37 2hpt s LEU 156 N 1.31 2.14 0.00 1.79 1.43 0.45 -4.90 118.68 120.90 2hpt s LEU 156 Ca -0.03 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2hpt s LEU 156 Cb -0.19 -1.35 0.01 0.00 0.03 0.00 0.00 46.19 44.68 2hpt s LEU 156 CO -0.08 0.31 0.49 -0.24 0.23 0.00 0.00 176.35 177.07 2hpt n SER 157 N 2.29 -1.37 -4.76 2.29 2.88 -1.26 -1.37 113.62 112.32 2hpt n SER 157 Ca -0.16 -2.99 -0.40 0.00 -1.33 0.00 0.00 58.87 53.98 2hpt n SER 157 Cb 0.51 2.58 0.01 0.00 -0.75 0.00 0.00 64.21 66.57 2hpt n SER 157 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2hpt n ASN 158 N -1.61 3.42 0.00 -3.46 4.13 -1.25 -4.76 115.26 111.73 2hpt n ASN 158 Ca 0.01 1.16 0.00 0.00 1.68 0.00 0.00 54.58 57.43 2hpt n ASN 158 Cb 0.61 -1.60 0.00 0.00 -1.54 0.00 0.00 39.78 37.25 2hpt n ASN 158 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2hpt n GLY 159 N 0.56 0.86 3.36 7.41 0.00 -1.26 -3.90 105.19 112.21 2hpt n GLY 159 Ca 0.04 -1.31 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 2hpt n GLY 159 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hpt s ASN 160 N -4.00 3.52 0.04 1.61 0.01 -0.51 -4.80 114.94 110.81 2hpt s ASN 160 Ca 0.00 -0.37 -0.31 0.00 -0.71 0.00 0.00 52.86 51.47 2hpt s ASN 160 Cb 0.00 -0.88 -0.07 0.00 0.41 0.00 0.00 41.25 40.71 2hpt s ASN 160 CO 0.00 0.28 1.51 -0.60 -1.51 0.00 0.00 177.10 176.78 2hpt s ARG 161 N -0.34 4.25 0.00 -0.60 3.52 -1.26 -0.85 118.95 123.67 2hpt s ARG 161 Ca 0.02 2.14 0.00 0.00 -0.13 0.00 0.00 55.73 57.76 2hpt s ARG 161 Cb -0.12 -3.55 0.00 0.00 -1.56 0.00 0.00 34.95 29.72 2hpt s ARG 161 CO 0.02 -0.63 0.32 1.33 -0.81 0.00 0.00 175.30 175.53 2hpt n VAL 162 N 4.62 0.00 -3.58 7.11 0.24 -0.27 -4.94 118.33 121.50 2hpt n VAL 162 Ca 0.14 -0.50 -0.09 0.00 -2.04 0.00 0.00 64.34 61.86 2hpt n VAL 162 Cb 0.42 1.01 -0.05 0.00 -1.47 0.00 0.00 33.84 33.75 2hpt n VAL 162 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hpt s ALA 163 N -0.35 -1.97 -0.26 2.33 0.00 -1.20 -4.96 121.76 115.34 2hpt s ALA 163 Ca 0.00 1.60 -0.26 0.00 0.00 0.00 0.00 51.96 53.31 2hpt s ALA 163 Cb 0.00 -0.75 0.11 0.00 0.00 0.00 0.00 23.12 22.48 2hpt s ALA 163 CO 0.00 -0.34 0.94 1.14 0.00 0.00 0.00 175.76 177.51 2hpt s GLN 164 N -1.30 0.61 0.23 0.00 -2.07 -1.26 -0.67 119.66 115.20 2hpt s GLN 164 Ca 0.01 0.66 -0.12 0.00 -1.82 0.00 0.00 55.36 54.09 2hpt s GLN 164 Cb -0.01 0.30 -0.00 0.00 -1.09 0.00 0.00 33.01 32.21 2hpt s GLN 164 CO -0.01 -0.09 0.44 0.20 -1.32 0.00 0.00 175.29 174.51 2hpt s GLY 165 N 0.13 0.50 0.22 2.60 0.00 -0.94 -5.00 107.32 104.82 2hpt s GLY 165 Ca 0.02 -0.84 0.07 0.00 0.00 0.00 0.00 44.72 43.96 2hpt s GLY 165 CO -0.03 -0.66 0.11 -0.54 0.00 0.00 0.00 173.10 171.98 2hpt s GLU 166 N -4.00 2.70 0.30 2.90 0.41 -1.26 -1.13 118.70 118.62 2hpt s GLU 166 Ca 0.21 -1.08 0.03 0.00 -0.41 0.00 0.00 54.97 53.71 2hpt s GLU 166 Cb 0.00 -2.47 -0.05 0.00 -1.78 0.00 0.00 34.13 29.83 2hpt s GLU 166 CO 0.06 0.43 0.11 -0.51 -0.49 0.00 0.00 175.26 174.86 2hpt s LEU 167 N -3.44 1.80 0.92 1.80 1.43 -0.08 -4.96 118.68 116.15 2hpt s LEU 167 Ca 0.31 -1.47 -0.10 0.00 -1.03 0.00 0.00 54.13 51.84 2hpt s LEU 167 Cb -0.08 -0.03 0.15 0.00 0.03 0.00 0.00 46.19 46.26 2hpt s LEU 167 CO 0.22 -0.78 1.14 -1.61 0.23 0.00 0.00 176.35 175.55 2hpt s GLU 168 N -3.91 0.94 -1.32 1.70 2.02 -1.26 -4.01 118.70 112.86 2hpt s GLU 168 Ca 0.35 1.48 -0.03 0.00 0.02 0.00 0.00 54.97 56.79 2hpt s GLU 168 Cb 0.07 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.58 2hpt s GLU 168 CO 0.15 -2.67 0.44 0.09 0.02 0.00 0.00 175.26 173.30 2hpt n ASN 169 N -4.25 -5.33 -0.62 -0.19 3.02 -1.26 -3.07 115.26 103.55 2hpt n ASN 169 Ca 0.11 -0.21 -0.08 0.00 -0.03 0.00 0.00 54.58 54.37 2hpt n ASN 169 Cb 0.52 -4.20 -0.03 0.00 -0.61 0.00 0.00 39.78 35.45 2hpt n ASN 169 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hpt n GLY 170 N -1.35 0.98 3.91 7.41 0.00 -1.26 -4.96 105.19 109.93 2hpt n GLY 170 Ca -0.11 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 2hpt n GLY 170 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hpt s ARG 171 N -2.48 3.61 0.30 1.61 0.52 -1.18 -0.39 118.95 120.94 2hpt s ARG 171 Ca 0.00 -0.06 0.01 0.00 -0.52 0.00 0.00 55.73 55.16 2hpt s ARG 171 Cb 0.00 -2.69 -0.02 0.00 0.52 0.00 0.00 34.95 32.76 2hpt s ARG 171 CO 0.00 0.26 0.33 -3.38 0.02 0.00 0.00 175.30 172.54 2hpt s HIS 172 N -2.02 1.30 0.06 -0.53 -3.43 -0.22 -0.91 115.29 109.53 2hpt s HIS 172 Ca 0.43 -1.41 -0.13 0.00 -0.80 0.00 0.00 55.06 53.15 2hpt s HIS 172 Cb -0.11 -0.40 0.02 0.00 -1.43 0.00 0.00 32.58 30.66 2hpt s HIS 172 CO 0.29 -0.93 0.29 1.67 -2.00 0.00 0.00 174.74 174.07 2hpt s TRP 173 N -3.49 -0.07 -0.02 0.38 1.48 -0.29 -1.19 118.94 115.75 2hpt s TRP 173 Ca 0.35 -0.13 -0.01 0.00 -1.06 0.00 0.00 56.10 55.25 2hpt s TRP 173 Cb 0.02 0.09 0.00 0.00 -1.16 0.00 0.00 33.47 32.42 2hpt s TRP 173 CO 0.21 -0.53 0.04 0.08 -4.06 0.00 0.00 176.95 172.69 2hpt s VAL 174 N -2.87 -0.00 -0.07 -0.66 1.01 -0.41 -2.21 120.40 115.18 2hpt s VAL 174 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.98 2hpt s VAL 174 Cb 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 36.38 36.29 2hpt s VAL 174 CO -0.05 0.00 -0.12 -1.58 0.00 0.00 0.00 175.10 173.34 2hpt s GLN 175 N 0.04 2.75 0.13 2.72 0.74 0.16 -0.68 119.66 125.52 2hpt s GLN 175 Ca -0.00 -0.66 0.11 0.00 0.05 0.00 0.00 55.36 54.86 2hpt s GLN 175 Cb -0.00 -2.48 -0.04 0.00 1.10 0.00 0.00 33.01 31.58 2hpt s GLN 175 CO -0.00 0.54 -0.26 -1.58 -0.55 0.00 0.00 175.29 173.45 2hpt s TRP 176 N -0.51 2.34 -0.03 1.67 0.52 0.69 -1.11 118.94 122.51 2hpt s TRP 176 Ca 0.07 -0.36 0.01 0.00 0.02 0.00 0.00 56.10 55.83 2hpt s TRP 176 Cb -0.12 -1.26 0.02 0.00 -1.15 0.00 0.00 33.47 30.96 2hpt s TRP 176 CO 0.02 0.35 -0.01 -1.14 0.02 0.00 0.00 176.95 176.18 2hpt s GLN 177 N -2.08 0.41 -0.28 4.98 0.74 -0.03 0.47 119.66 123.87 2hpt s GLN 177 Ca 0.15 0.01 0.01 0.00 0.05 0.00 0.00 55.36 55.58 2hpt s GLN 177 Cb -0.10 -0.53 0.05 0.00 1.10 0.00 0.00 33.01 33.54 2hpt s GLN 177 CO 0.07 -0.10 -0.06 0.34 -0.55 0.00 0.00 175.29 174.99 2hpt s ASP 178 N 0.86 4.64 0.55 6.67 2.15 -0.86 -1.42 116.67 129.26 2hpt s ASP 178 Ca -0.09 -1.33 0.34 0.00 0.43 0.00 0.00 52.55 51.90 2hpt s ASP 178 Cb -0.12 -1.62 1.44 0.00 -0.30 0.00 0.00 42.92 42.31 2hpt s ASP 178 CO -0.01 -0.22 2.01 1.55 -0.17 0.00 0.00 175.17 178.33 2hpt h PRO 179 N 7.88 0.00 -6.01 4.34 0.13 -1.94 -3.32 132.00 133.08 2hpt h PRO 179 Ca -0.20 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.36 2hpt h PRO 179 Cb 1.05 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.12 2hpt h PRO 179 CO 0.49 0.00 0.36 -0.06 -0.23 0.00 0.00 178.00 178.56 2hpt s PHE 180 N -3.69 3.46 0.31 1.56 0.08 -1.26 -4.93 117.98 113.51 2hpt s PHE 180 Ca 0.01 1.31 -0.29 0.00 0.12 0.00 0.00 56.93 58.07 2hpt s PHE 180 Cb 0.09 -3.00 -0.12 0.00 -0.57 0.00 0.00 43.02 39.42 2hpt s PHE 180 CO 0.53 -0.18 1.42 -2.30 -0.10 0.00 0.00 175.22 174.59 2hpt n PRO 181 N 4.92 2.33 -3.89 0.24 -0.02 -1.26 -4.66 135.00 132.67 2hpt n PRO 181 Ca 0.04 0.82 -0.11 0.00 -2.02 0.00 0.00 63.50 62.24 2hpt n PRO 181 Cb 0.49 -2.50 -0.10 0.00 -0.02 0.00 0.00 33.50 31.37 2hpt n PRO 181 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2hpt s LYS 182 N -1.27 0.43 0.61 -0.52 -2.85 -0.43 -4.77 119.74 110.93 2hpt s LYS 182 Ca 0.60 -0.40 -0.17 0.00 -1.00 0.00 0.00 55.97 55.01 2hpt s LYS 182 Cb -0.55 0.17 -0.02 0.00 -2.06 0.00 0.00 37.83 35.37 2hpt s LYS 182 CO 0.57 -0.10 1.11 -1.25 0.10 0.00 0.00 175.35 175.78 2hpt s PRO 183 N -1.29 3.05 0.34 1.78 0.04 -1.25 -1.48 135.00 136.19 2hpt s PRO 183 Ca -0.14 1.44 0.27 0.00 0.04 0.00 0.00 61.00 62.61 2hpt s PRO 183 Cb -0.08 -1.98 1.08 0.00 0.04 0.00 0.00 34.50 33.57 2hpt s PRO 183 CO 0.01 -1.06 1.79 0.00 0.04 0.00 0.00 177.00 177.78 2hpt n TYR 185 N -2.50 0.57 1.01 0.00 0.18 -1.26 -1.48 117.16 113.69 2hpt n TYR 185 Ca 0.02 0.28 0.12 0.00 1.88 0.00 0.00 57.90 60.20 2hpt n TYR 185 Cb 0.26 -0.95 0.19 0.00 -0.38 0.00 0.00 39.34 38.46 2hpt n TYR 185 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 2hpt n LEU 186 N -2.07 2.76 -4.76 -3.48 4.77 -0.90 -3.64 117.00 109.68 2hpt n LEU 186 Ca -0.00 -0.96 -0.41 0.00 -0.03 0.00 0.00 56.01 54.61 2hpt n LEU 186 Cb 0.06 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2hpt n LEU 186 CO 0.09 0.48 0.90 0.12 -1.33 0.00 0.00 177.39 177.66 2hpt s PHE 187 N -1.94 3.30 0.01 -1.77 5.36 -0.55 -3.07 117.98 119.33 2hpt s PHE 187 Ca 0.31 1.50 -0.00 0.00 -0.96 0.00 0.00 56.93 57.77 2hpt s PHE 187 Cb 0.20 -3.51 -0.02 0.00 -0.34 0.00 0.00 43.02 39.36 2hpt s PHE 187 CO 0.31 -1.33 -0.02 0.00 -1.46 0.00 0.00 175.22 172.71 2hpt s ALA 188 N -0.91 0.08 -0.00 11.12 0.00 -1.26 -4.56 121.76 126.23 2hpt s ALA 188 Ca 0.49 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.00 2hpt s ALA 188 Cb -0.36 0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.88 2hpt s ALA 188 CO 0.46 -0.13 0.00 -1.17 0.00 0.00 0.00 175.76 174.92 2hpt s LEU 189 N -1.13 1.85 -0.01 0.00 0.20 -1.26 -3.79 118.68 114.53 2hpt s LEU 189 Ca -0.12 0.00 0.00 0.00 0.69 0.00 0.00 54.13 54.70 2hpt s LEU 189 Cb -0.08 -0.03 0.01 0.00 -0.43 0.00 0.00 46.19 45.67 2hpt s LEU 189 CO -0.01 -0.02 -0.00 -0.69 -0.29 0.00 0.00 176.35 175.34 2hpt s VAL 190 N 0.17 0.12 -0.05 1.68 1.01 -0.47 -2.54 120.40 120.32 2hpt s VAL 190 Ca -0.01 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.01 2hpt s VAL 190 Cb -0.02 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 36.21 2hpt s VAL 190 CO -0.00 0.08 -0.08 0.00 0.00 0.00 0.00 175.10 175.10 2hpt s ALA 191 N 0.50 0.88 0.00 5.51 0.00 0.25 -0.41 121.76 128.49 2hpt s ALA 191 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2hpt s ALA 191 Cb -0.07 -0.44 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2hpt s ALA 191 CO -0.01 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.22 2hpt n GLY 192 N 3.83 -1.03 3.04 0.00 0.00 -0.83 -0.13 105.19 110.08 2hpt n GLY 192 Ca -0.24 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 2hpt n GLY 192 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2hpt s ASP 193 N -4.00 3.40 0.17 1.61 2.15 -1.26 -1.71 116.67 117.03 2hpt s ASP 193 Ca 0.00 -0.86 0.06 0.00 0.43 0.00 0.00 52.55 52.18 2hpt s ASP 193 Cb 0.00 -1.33 -0.04 0.00 -0.30 0.00 0.00 42.92 41.25 2hpt s ASP 193 CO 0.00 -0.11 -0.13 -0.36 -0.17 0.00 0.00 175.17 174.41 2hpt s PHE 194 N 1.34 1.48 0.25 -5.34 0.08 -1.26 -4.40 117.98 110.13 2hpt s PHE 194 Ca -0.00 -0.64 -0.21 0.00 0.12 0.00 0.00 56.93 56.19 2hpt s PHE 194 Cb -0.16 -0.72 -0.09 0.00 -0.57 0.00 0.00 43.02 41.48 2hpt s PHE 194 CO -0.09 0.21 0.78 -0.51 -0.10 0.00 0.00 175.22 175.51 2hpt s ASP 195 N -3.11 7.11 -0.15 1.36 1.01 -0.61 -4.86 116.67 117.42 2hpt s ASP 195 Ca 0.18 1.52 -0.00 0.00 0.71 0.00 0.00 52.55 54.96 2hpt s ASP 195 Cb -0.00 -2.46 0.03 0.00 1.01 0.00 0.00 42.92 41.50 2hpt s ASP 195 CO 0.04 -0.01 -0.08 -0.69 0.21 0.00 0.00 175.17 174.64 2hpt s VAL 196 N -1.57 1.24 -0.13 -1.27 1.01 -1.26 -1.26 120.40 117.15 2hpt s VAL 196 Ca 0.45 -0.60 -0.27 0.00 0.00 0.00 0.00 61.98 61.57 2hpt s VAL 196 Cb -0.17 -1.32 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 2hpt s VAL 196 CO 0.21 0.25 0.88 -0.22 0.00 0.00 0.00 175.10 176.22 2hpt s LEU 197 N 1.60 4.22 0.00 3.92 2.96 -0.54 -4.92 118.68 125.91 2hpt s LEU 197 Ca 0.02 1.30 0.08 0.00 -0.22 0.00 0.00 54.13 55.31 2hpt s LEU 197 Cb -0.14 -3.33 -0.02 0.00 0.50 0.00 0.00 46.19 43.20 2hpt s LEU 197 CO -0.08 -0.38 -0.24 -0.13 -1.32 0.00 0.00 176.35 174.20 2hpt s ARG 198 N 1.94 1.84 0.11 1.98 0.52 -1.26 -1.10 118.95 122.98 2hpt s ARG 198 Ca 0.42 -0.91 -0.04 0.00 -0.52 0.00 0.00 55.73 54.67 2hpt s ARG 198 Cb -0.17 -1.85 0.02 0.00 0.52 0.00 0.00 34.95 33.47 2hpt s ARG 198 CO 0.15 0.50 0.22 -3.47 0.02 0.00 0.00 175.30 172.71 2hpt n ASP 199 N 2.27 -0.63 -3.76 0.23 -0.08 -0.77 -5.02 116.55 108.80 2hpt n ASP 199 Ca -0.16 -1.44 -0.13 0.00 -1.51 0.00 0.00 54.79 51.55 2hpt n ASP 199 Cb 0.52 1.04 -0.10 0.00 2.34 0.00 0.00 41.12 44.92 2hpt n ASP 199 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2hpt s THR 200 N -2.75 0.01 -0.06 5.18 -1.32 -1.26 -1.09 115.64 114.36 2hpt s THR 200 Ca 0.04 -0.10 0.06 0.00 -1.21 0.00 0.00 61.69 60.48 2hpt s THR 200 Cb -0.01 -0.49 -0.01 0.00 -1.51 0.00 0.00 72.50 70.47 2hpt s THR 200 CO 0.03 -0.05 -0.23 0.12 -2.21 0.00 0.00 174.62 172.28 2hpt s PHE 201 N -0.12 2.48 -0.25 9.09 5.36 -0.38 -4.95 117.98 129.20 2hpt s PHE 201 Ca -0.03 -0.63 -0.07 0.00 -0.96 0.00 0.00 56.93 55.23 2hpt s PHE 201 Cb -0.03 -1.61 -0.03 0.00 -0.34 0.00 0.00 43.02 41.01 2hpt s PHE 201 CO 0.01 -0.16 0.08 0.99 -1.46 0.00 0.00 175.22 174.68 2hpt s THR 202 N -0.23 4.36 0.77 0.12 2.01 -1.26 0.03 115.64 121.45 2hpt s THR 202 Ca -0.01 -0.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 2hpt s THR 202 Cb -0.13 -3.04 0.06 0.00 0.01 0.00 0.00 72.50 69.39 2hpt s THR 202 CO 0.03 0.34 1.08 0.42 -0.69 0.00 0.00 174.62 175.80 2hpt s THR 203 N 1.60 3.39 0.54 -0.82 -4.23 0.12 -4.86 115.64 111.38 2hpt s THR 203 Ca 0.06 0.45 0.27 0.00 -1.18 0.00 0.00 61.69 61.30 2hpt s THR 203 Cb -0.15 -3.06 0.41 0.00 1.34 0.00 0.00 72.50 71.04 2hpt s THR 203 CO 0.04 -0.59 1.96 -0.09 -0.54 0.00 0.00 174.62 175.40 2hpt h ARG 204 N -1.07 0.00 -0.28 3.99 2.43 -1.97 0.26 114.38 117.75 2hpt h ARG 204 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2hpt h ARG 204 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2hpt h ARG 204 CO 0.55 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.88 2hpt n SER 205 N -4.23 2.94 0.00 -3.80 3.41 -1.26 -4.96 113.62 105.72 2hpt n SER 205 Ca 0.11 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 2hpt n SER 205 Cb 0.68 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 2hpt n SER 205 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hpt n GLY 206 N 1.39 0.86 3.73 5.00 0.00 0.91 -5.06 105.19 112.03 2hpt n GLY 206 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2hpt n GLY 206 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hpt s ARG 207 N -0.93 4.48 -0.23 1.61 3.52 -1.25 -4.71 118.95 121.42 2hpt s ARG 207 Ca 0.00 1.81 -0.09 0.00 -0.13 0.00 0.00 55.73 57.32 2hpt s ARG 207 Cb 0.00 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 2hpt s ARG 207 CO 0.00 -0.14 0.12 -2.00 -0.81 0.00 0.00 175.30 172.48 2hpt s GLU 208 N 0.29 3.94 -0.19 5.12 2.12 -1.26 0.13 118.70 128.84 2hpt s GLU 208 Ca 0.55 -0.34 -0.01 0.00 0.36 0.00 0.00 54.97 55.53 2hpt s GLU 208 Cb -0.31 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.65 2hpt s GLU 208 CO 0.33 0.02 -0.12 0.08 -0.54 0.00 0.00 175.26 175.03 2hpt s VAL 209 N 1.13 2.77 -0.09 3.70 1.01 0.10 -4.80 120.40 124.22 2hpt s VAL 209 Ca 0.06 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 2hpt s VAL 209 Cb -0.14 -2.21 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2hpt s VAL 209 CO 0.04 0.48 1.22 0.00 0.00 0.00 0.00 175.10 176.85 2hpt s ALA 210 N 1.26 3.55 -0.20 5.51 0.00 -0.05 -1.25 121.76 130.58 2hpt s ALA 210 Ca 0.03 0.57 -0.08 0.00 0.00 0.00 0.00 51.96 52.48 2hpt s ALA 210 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.39 2hpt s ALA 210 CO -0.06 -0.89 0.09 -0.51 0.00 0.00 0.00 175.76 174.39 2hpt s LEU 211 N 2.62 3.90 -0.06 0.00 1.43 -0.25 -0.20 118.68 126.12 2hpt s LEU 211 Ca 0.56 0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.73 2hpt s LEU 211 Cb -0.24 -2.01 0.03 0.00 0.03 0.00 0.00 46.19 44.00 2hpt s LEU 211 CO 0.20 0.14 0.00 -1.61 0.23 0.00 0.00 176.35 175.30 2hpt s GLU 212 N 0.60 0.54 -0.27 1.70 2.02 0.57 -1.84 118.70 122.02 2hpt s GLU 212 Ca 0.05 0.10 -0.02 0.00 0.02 0.00 0.00 54.97 55.12 2hpt s GLU 212 Cb -0.13 -0.86 0.04 0.00 0.10 0.00 0.00 34.13 33.28 2hpt s GLU 212 CO 0.01 -0.26 -0.03 -1.17 0.02 0.00 0.00 175.26 173.83 2hpt s LEU 213 N 1.74 3.52 -0.23 1.80 2.96 -0.26 -0.65 118.68 127.56 2hpt s LEU 213 Ca 0.01 -1.05 -0.16 0.00 -0.22 0.00 0.00 54.13 52.71 2hpt s LEU 213 Cb -0.13 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 2hpt s LEU 213 CO -0.04 -0.19 0.41 -0.31 -1.32 0.00 0.00 176.35 174.90 2hpt s TYR 214 N 1.30 3.32 0.17 5.38 2.02 0.37 -1.47 117.35 128.43 2hpt s TYR 214 Ca -0.02 0.56 0.06 0.00 -0.37 0.00 0.00 57.07 57.30 2hpt s TYR 214 Cb -0.18 -2.57 -0.04 0.00 -0.40 0.00 0.00 41.96 38.76 2hpt s TYR 214 CO -0.03 -0.12 -0.13 0.14 -1.57 0.00 0.00 175.55 173.84 2hpt s VAL 215 N 1.70 1.47 0.59 0.71 -7.23 -0.39 -1.36 120.40 115.90 2hpt s VAL 215 Ca 0.18 -2.06 -0.19 0.00 -1.81 0.00 0.00 61.98 58.10 2hpt s VAL 215 Cb -0.15 -1.87 -0.05 0.00 0.56 0.00 0.00 36.38 34.87 2hpt s VAL 215 CO 0.09 -0.61 1.03 0.47 -0.31 0.00 0.00 175.10 175.77 2hpt n ASP 216 N -0.12 1.07 -4.66 4.85 8.00 -1.26 -1.57 116.55 122.85 2hpt n ASP 216 Ca -0.10 0.84 -0.46 0.00 0.71 0.00 0.00 54.79 55.77 2hpt n ASP 216 Cb 0.60 -1.42 -0.04 0.00 -0.02 0.00 0.00 41.12 40.24 2hpt n ASP 216 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2hpt n ARG 217 N -1.02 1.97 0.00 -1.24 5.12 -1.26 -2.21 116.66 118.02 2hpt n ARG 217 Ca 0.13 0.70 0.00 0.00 -1.93 0.00 0.00 57.85 56.76 2hpt n ARG 217 Cb 0.47 -2.40 0.00 0.00 -1.16 0.00 0.00 32.46 29.37 2hpt n ARG 217 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hpt n GLY 218 N 2.66 0.11 0.81 -0.13 0.00 -1.26 -4.95 105.19 102.43 2hpt n GLY 218 Ca 0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.24 2hpt n GLY 218 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hpt n ASN 219 N 0.00 2.97 -0.17 1.61 5.03 -0.94 -4.52 115.26 119.24 2hpt n ASN 219 Ca 0.00 -1.88 0.25 0.00 0.87 0.00 0.00 54.58 53.82 2hpt n ASN 219 Cb 0.00 -0.22 0.67 0.00 -1.02 0.00 0.00 39.78 39.21 2hpt n ASN 219 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2hpt h LEU 220 N 2.95 0.10 -0.30 3.41 5.85 -1.93 0.54 115.31 125.93 2hpt h LEU 220 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2hpt h LEU 220 Cb 0.77 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2hpt h LEU 220 CO 0.00 0.04 0.00 -0.90 -0.34 0.00 0.00 178.44 177.24 2hpt n ASP 221 N -4.34 0.27 -0.62 1.25 5.75 -1.26 -2.63 116.55 114.95 2hpt n ASP 221 Ca 0.17 0.57 0.05 0.00 -0.01 0.00 0.00 54.79 55.58 2hpt n ASP 221 Cb 0.84 -0.62 0.15 0.00 -1.03 0.00 0.00 41.12 40.46 2hpt n ASP 221 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2hpt n ARG 222 N -1.80 2.80 -0.03 0.11 1.74 0.18 -4.72 116.66 114.94 2hpt n ARG 222 Ca 0.03 -2.01 -0.13 0.00 -0.77 0.00 0.00 57.85 54.97 2hpt n ARG 222 Cb 0.18 -1.26 -0.14 0.00 -1.02 0.00 0.00 32.46 30.22 2hpt n ARG 222 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hpt n ALA 223 N 0.50 1.31 -0.35 7.54 0.00 -1.08 -1.56 120.51 126.87 2hpt n ALA 223 Ca 0.11 -0.78 0.13 0.00 0.00 0.00 0.00 53.44 52.90 2hpt n ALA 223 Cb 0.42 -0.70 0.33 0.00 0.00 0.00 0.00 19.45 19.50 2hpt n ALA 223 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2hpt h PRO 224 N 0.02 0.72 -0.65 0.00 0.11 -1.85 -2.37 132.00 127.99 2hpt h PRO 224 Ca -0.36 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.70 2hpt h PRO 224 Cb 2.04 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.95 2hpt h PRO 224 CO 0.07 0.48 0.39 2.35 -0.21 0.00 0.00 178.00 181.08 2hpt h TRP 225 N 0.74 0.85 -0.75 0.65 2.91 -1.87 0.12 115.95 118.60 2hpt h TRP 225 Ca 0.57 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.56 2hpt h TRP 225 Cb 0.92 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 29.26 2hpt h TRP 225 CO -0.00 0.57 0.33 0.00 -1.03 0.00 0.00 178.44 178.30 2hpt h ALA 226 N 1.20 1.16 -0.21 2.65 0.00 -1.65 -0.27 119.26 122.15 2hpt h ALA 226 Ca 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2hpt h ALA 226 Cb -0.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2hpt h ALA 226 CO -0.04 0.62 0.01 1.98 0.00 0.00 0.00 179.25 181.82 2hpt h MET 227 N 1.08 0.35 -0.48 0.00 1.85 -1.01 0.07 114.93 116.79 2hpt h MET 227 Ca 0.25 -0.11 0.05 0.00 -0.61 0.00 0.00 59.70 59.29 2hpt h MET 227 Cb 0.16 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.11 2hpt h MET 227 CO -0.03 0.53 0.20 1.15 -0.40 0.00 0.00 176.91 178.36 2hpt h THR 228 N 0.13 0.89 -0.68 -0.77 2.02 -0.52 -2.24 112.91 111.74 2hpt h THR 228 Ca 0.06 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 2hpt h THR 228 Cb 0.36 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 2hpt h THR 228 CO 0.01 0.07 0.27 0.28 0.37 0.00 0.00 175.52 176.52 2hpt h SER 229 N 0.39 0.91 -0.13 4.18 0.02 -0.91 0.19 113.55 118.21 2hpt h SER 229 Ca 0.22 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 2hpt h SER 229 Cb 0.19 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2hpt h SER 229 CO -0.20 0.81 0.04 0.25 -1.14 0.00 0.00 176.83 176.59 2hpt h LEU 230 N 0.97 0.04 -0.51 5.07 5.85 -0.45 0.24 115.31 126.51 2hpt h LEU 230 Ca 0.23 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 2hpt h LEU 230 Cb 0.18 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2hpt h LEU 230 CO -0.02 0.04 0.23 0.11 -0.34 0.00 0.00 178.44 178.46 2hpt h LYS 231 N 0.10 0.75 -0.84 1.25 1.57 -0.90 -0.24 116.57 118.26 2hpt h LYS 231 Ca 0.05 -0.12 0.09 0.00 -1.87 0.00 0.00 60.65 58.80 2hpt h LYS 231 Cb 0.04 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.14 2hpt h LYS 231 CO -0.06 0.64 0.48 -0.91 -0.57 0.00 0.00 179.45 179.04 2hpt h ASN 232 N 0.68 0.70 -0.42 0.86 2.35 -0.32 -0.61 115.58 118.82 2hpt h ASN 232 Ca 0.17 0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.87 2hpt h ASN 232 Cb 0.16 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2hpt h ASN 232 CO -0.02 0.40 -0.13 0.28 -1.65 0.00 0.00 177.43 176.31 2hpt h SER 233 N 0.82 0.85 -0.52 5.81 0.02 -0.00 -0.65 113.55 119.87 2hpt h SER 233 Ca 0.40 -0.38 -0.10 0.00 -0.84 0.00 0.00 61.79 60.88 2hpt h SER 233 Cb 0.35 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2hpt h SER 233 CO -0.24 1.03 -0.05 0.24 -1.14 0.00 0.00 176.83 176.67 2hpt h MET 234 N 0.66 0.96 -0.17 3.45 2.86 -0.61 -1.23 114.93 120.85 2hpt h MET 234 Ca 0.10 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2hpt h MET 234 Cb 0.68 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 2hpt h MET 234 CO 0.05 1.00 0.10 -0.22 1.06 0.00 0.00 176.91 178.89 2hpt h LYS 235 N 0.83 0.23 -0.71 1.72 1.63 -1.03 -2.83 116.57 116.40 2hpt h LYS 235 Ca 0.14 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.88 2hpt h LYS 235 Cb 0.60 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.15 2hpt h LYS 235 CO 0.04 0.21 0.31 2.35 -3.45 0.00 0.00 179.45 178.90 2hpt h TRP 236 N 0.18 1.06 -0.22 1.91 7.01 -1.03 -0.34 115.95 124.53 2hpt h TRP 236 Ca 0.06 -0.07 -0.09 0.00 2.11 0.00 0.00 58.89 60.90 2hpt h TRP 236 Cb 0.04 -0.32 -0.01 0.00 -2.10 0.00 0.00 29.16 26.77 2hpt h TRP 236 CO -0.05 0.81 -0.24 0.22 -2.79 0.00 0.00 178.44 176.39 2hpt h ASP 237 N 1.01 0.40 0.30 2.65 3.58 -1.18 0.26 116.42 123.44 2hpt h ASP 237 Ca 0.24 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 2hpt h ASP 237 Cb 0.18 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2hpt h ASP 237 CO -0.02 0.64 -0.14 -0.33 -2.88 0.00 0.00 179.24 176.50 2hpt h GLU 238 N 0.36 -0.39 -0.26 0.28 5.08 -1.22 -0.11 114.58 118.31 2hpt h GLU 238 Ca 0.06 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2hpt h GLU 238 Cb 0.62 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2hpt h GLU 238 CO 0.04 -0.16 0.17 0.93 -1.00 0.00 0.00 179.01 178.99 2hpt h GLU 239 N -0.57 0.35 0.16 2.33 5.08 -0.70 -1.74 114.58 119.50 2hpt h GLU 239 Ca -0.04 -0.03 -0.31 0.00 -1.00 0.00 0.00 59.36 57.98 2hpt h GLU 239 Cb 0.41 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.59 2hpt h GLU 239 CO 0.07 0.26 -1.57 -0.09 -1.00 0.00 0.00 179.01 176.68 2hpt h ARG 240 N 0.34 0.34 -0.00 2.33 9.65 -0.55 -3.39 114.38 123.09 2hpt h ARG 240 Ca 0.10 -0.57 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 2hpt h ARG 240 Cb -0.01 0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 2hpt h ARG 240 CO -0.02 1.27 -0.33 1.19 2.80 0.00 0.00 179.97 184.89 2hpt n PHE 241 N -3.75 0.00 -2.42 2.20 3.72 -0.14 -5.00 117.46 112.07 2hpt n PHE 241 Ca -0.24 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.03 2hpt n PHE 241 Cb 1.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 2hpt n PHE 241 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2hpt n GLY 242 N 1.07 -0.09 3.42 1.37 0.00 -0.65 -4.97 105.19 105.34 2hpt n GLY 242 Ca 0.03 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 2hpt n GLY 242 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hpt s LEU 243 N -3.74 2.89 0.13 0.99 1.43 -0.91 -4.91 118.68 114.55 2hpt s LEU 243 Ca 0.07 -0.25 0.07 0.00 -1.03 0.00 0.00 54.13 52.99 2hpt s LEU 243 Cb -0.03 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 2hpt s LEU 243 CO 0.09 0.18 -0.07 -1.61 0.23 0.00 0.00 176.35 175.17 2hpt s GLU 244 N 0.25 2.21 0.62 1.70 2.02 -1.26 -2.60 118.70 121.65 2hpt s GLU 244 Ca -0.07 -1.07 -0.18 0.00 0.02 0.00 0.00 54.97 53.67 2hpt s GLU 244 Cb -0.15 -2.31 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 2hpt s GLU 244 CO 0.05 0.49 1.21 -0.47 0.02 0.00 0.00 175.26 176.56 2hpt s TYR 245 N -1.42 2.31 -0.39 1.61 5.04 -1.26 -4.96 117.35 118.28 2hpt s TYR 245 Ca 0.24 1.52 0.04 0.00 -2.44 0.00 0.00 57.07 56.43 2hpt s TYR 245 Cb -0.10 -3.50 0.06 0.00 0.35 0.00 0.00 41.96 38.77 2hpt s TYR 245 CO 0.15 -2.34 0.83 -0.40 -1.34 0.00 0.00 175.55 172.45 2hpt n ASP 246 N -1.83 1.76 -3.33 4.32 5.75 -1.26 -5.00 116.55 116.96 2hpt n ASP 246 Ca 0.14 -1.54 -0.19 0.00 -0.01 0.00 0.00 54.79 53.19 2hpt n ASP 246 Cb 0.50 -0.03 -0.05 0.00 -1.03 0.00 0.00 41.12 40.50 2hpt n ASP 246 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2hpt n LEU 247 N 0.04 0.00 -0.04 -2.12 4.77 -1.26 -5.08 117.00 113.31 2hpt n LEU 247 Ca 0.03 -2.30 0.02 0.00 -0.03 0.00 0.00 56.01 53.73 2hpt n LEU 247 Cb 0.19 0.69 -0.15 0.00 -2.33 0.00 0.00 43.42 41.83 2hpt n LEU 247 CO 0.02 -0.35 -0.87 0.47 -1.33 0.00 0.00 177.39 175.34 2hpt n ASP 248 N -1.61 0.61 -4.26 -1.43 8.00 -1.26 -4.83 116.55 111.77 2hpt n ASP 248 Ca -0.06 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.16 2hpt n ASP 248 Cb 0.45 1.51 -0.15 0.00 -0.02 0.00 0.00 41.12 42.90 2hpt n ASP 248 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2hpt s ILE 249 N -2.98 1.80 -0.19 0.53 1.01 -1.26 -0.87 121.20 119.24 2hpt s ILE 249 Ca -0.08 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.54 2hpt s ILE 249 Cb 0.10 -1.51 0.04 0.00 0.01 0.00 0.00 42.46 41.10 2hpt s ILE 249 CO 0.77 0.45 -0.08 -0.47 0.00 0.00 0.00 174.94 175.61 2hpt s TYR 250 N -0.59 2.15 -0.04 3.97 5.04 0.72 -4.79 117.35 123.80 2hpt s TYR 250 Ca 0.09 -1.42 0.02 0.00 -2.44 0.00 0.00 57.07 53.32 2hpt s TYR 250 Cb -0.09 -1.52 -0.03 0.00 0.35 0.00 0.00 41.96 40.67 2hpt s TYR 250 CO -0.00 -0.70 -0.07 -1.64 -1.34 0.00 0.00 175.55 171.80 2hpt s MET 251 N 1.48 2.67 -0.02 4.97 -1.94 -0.66 -0.32 119.30 125.48 2hpt s MET 251 Ca -0.01 -0.62 0.03 0.00 -1.71 0.00 0.00 55.69 53.39 2hpt s MET 251 Cb -0.16 -2.55 -0.00 0.00 2.01 0.00 0.00 34.83 34.12 2hpt s MET 251 CO -0.08 0.64 -0.12 0.42 -0.01 0.00 0.00 175.02 175.87 2hpt s ILE 252 N -0.89 1.00 -0.16 2.53 1.01 0.18 -0.93 121.20 123.94 2hpt s ILE 252 Ca 0.14 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.31 2hpt s ILE 252 Cb -0.11 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.52 2hpt s ILE 252 CO 0.04 0.29 -0.18 -0.69 0.00 0.00 0.00 174.94 174.41 2hpt s VAL 253 N 0.01 1.83 -0.38 2.92 1.01 -0.37 -0.48 120.40 124.94 2hpt s VAL 253 Ca -0.01 -0.80 -0.23 0.00 0.00 0.00 0.00 61.98 60.94 2hpt s VAL 253 Cb -0.08 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.64 2hpt s VAL 253 CO 0.01 0.50 0.76 0.00 0.00 0.00 0.00 175.10 176.37 2hpt s ALA 254 N 1.29 3.41 -0.01 5.51 0.00 -0.46 -0.43 121.76 131.08 2hpt s ALA 254 Ca 0.03 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.29 2hpt s ALA 254 Cb -0.13 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2hpt s ALA 254 CO -0.10 -1.53 -0.14 0.14 0.00 0.00 0.00 175.76 174.12 2hpt s VAL 255 N 3.06 3.08 0.16 0.00 -7.23 0.54 -4.52 120.40 115.51 2hpt s VAL 255 Ca 0.30 -0.90 0.08 0.00 -1.81 0.00 0.00 61.98 59.64 2hpt s VAL 255 Cb -0.13 -2.27 -0.16 0.00 0.56 0.00 0.00 36.38 34.38 2hpt s VAL 255 CO 0.17 0.46 1.37 0.44 -0.31 0.00 0.00 175.10 177.23 2hpt h ASP 256 N 4.88 0.02 -3.46 4.85 3.32 -1.90 -0.15 116.42 123.98 2hpt h ASP 256 Ca -0.47 -0.02 -0.71 0.00 0.02 0.00 0.00 57.03 55.85 2hpt h ASP 256 Cb 1.16 -0.01 -0.28 0.00 0.22 0.00 0.00 39.33 40.42 2hpt h ASP 256 CO 0.50 0.91 -0.48 -0.36 -1.72 0.00 0.00 179.24 178.09 2hpt s PHE 257 N -2.97 3.35 -0.22 4.55 0.08 -1.26 -4.78 117.98 116.73 2hpt s PHE 257 Ca 0.00 -1.58 -0.18 0.00 0.12 0.00 0.00 56.93 55.30 2hpt s PHE 257 Cb 0.11 -2.94 0.06 0.00 -0.57 0.00 0.00 43.02 39.67 2hpt s PHE 257 CO 0.81 -0.85 0.58 0.12 -0.10 0.00 0.00 175.22 175.78 2hpt s PHE 258 N 1.41 -0.73 0.15 0.36 5.36 -1.26 -4.86 117.98 118.41 2hpt s PHE 258 Ca 0.03 1.65 0.17 0.00 -0.96 0.00 0.00 56.93 57.82 2hpt s PHE 258 Cb -0.23 0.32 0.54 0.00 -0.34 0.00 0.00 43.02 43.31 2hpt s PHE 258 CO 0.02 -0.36 1.67 -0.91 -1.46 0.00 0.00 175.22 174.17 2hpt h ASN 259 N 5.93 0.00 -0.29 6.13 2.35 -1.93 -3.43 115.58 124.34 2hpt h ASN 259 Ca -0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 2hpt h ASN 259 Cb 1.19 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.56 2hpt h ASN 259 CO 0.17 0.45 0.00 1.15 -1.65 0.00 0.00 177.43 177.55 2hpt n MET 260 N -3.54 3.53 -0.13 0.81 0.00 -1.26 -4.94 117.12 111.59 2hpt n MET 260 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.48 2hpt n MET 260 Cb 0.56 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.67 2hpt n MET 260 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2hpt n GLY 261 N 4.41 -0.39 3.68 3.17 0.00 -1.26 -4.64 105.19 110.16 2hpt n GLY 261 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 2hpt n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hpt s ALA 262 N -2.52 -1.89 -0.10 4.61 0.00 -1.26 -0.54 121.76 120.06 2hpt s ALA 262 Ca -0.36 0.46 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 2hpt s ALA 262 Cb 0.11 0.49 0.04 0.00 0.00 0.00 0.00 23.12 23.75 2hpt s ALA 262 CO 0.57 -1.00 0.25 1.41 0.00 0.00 0.00 175.76 177.00 2hpt s MET 263 N -2.93 0.25 -0.27 0.00 0.00 -0.27 -5.00 119.30 111.08 2hpt s MET 263 Ca 0.12 0.46 0.01 0.00 0.00 0.00 0.00 55.69 56.28 2hpt s MET 263 Cb 0.01 -0.00 0.27 0.00 0.00 0.00 0.00 34.83 35.11 2hpt s MET 263 CO -0.01 -0.11 1.73 -0.85 0.00 0.00 0.00 175.02 175.78 2hpt n GLU 264 N 3.67 1.71 -1.63 4.11 0.00 -1.26 -2.55 120.64 124.69 2hpt n GLU 264 Ca -0.20 -1.53 -0.51 0.00 0.00 0.00 0.00 57.16 54.92 2hpt n GLU 264 Cb 0.55 -1.60 -0.06 0.00 0.00 0.00 0.00 31.44 30.34 2hpt n GLU 264 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2hpt n ASN 265 N 0.00 2.25 -4.62 -1.84 3.02 -1.26 -4.68 115.26 108.14 2hpt n ASN 265 Ca 0.30 1.09 -0.51 0.00 -0.03 0.00 0.00 54.58 55.43 2hpt n ASN 265 Cb 0.83 -1.26 -0.06 0.00 -0.61 0.00 0.00 39.78 38.68 2hpt n ASN 265 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2hpt n LYS 266 N 3.36 1.60 -0.58 3.52 3.00 -1.17 -0.55 118.16 127.34 2hpt n LYS 266 Ca 0.19 0.55 0.00 0.00 -0.00 0.00 0.00 58.31 59.05 2hpt n LYS 266 Cb 0.22 -2.49 0.00 0.00 0.00 0.00 0.00 35.03 32.75 2hpt n LYS 266 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2hpt n GLY 267 N 5.07 1.17 2.38 3.14 0.00 -1.26 -4.13 105.19 111.55 2hpt n GLY 267 Ca 0.29 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.11 2hpt n GLY 267 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2hpt n LEU 268 N 0.00 -0.83 -4.77 0.99 7.94 0.29 -1.65 117.00 118.96 2hpt n LEU 268 Ca 0.00 -4.23 -0.39 0.00 -1.11 0.00 0.00 56.01 50.28 2hpt n LEU 268 Cb 0.00 0.67 -0.02 0.00 0.53 0.00 0.00 43.42 44.60 2hpt n LEU 268 CO 0.00 2.01 0.89 0.20 -1.11 0.00 0.00 177.39 179.37 2hpt s ASN 269 N -0.90 6.68 -0.18 1.96 0.02 -0.11 -4.18 114.94 118.24 2hpt s ASN 269 Ca 0.34 2.47 -0.03 0.00 -1.02 0.00 0.00 52.86 54.62 2hpt s ASN 269 Cb 0.15 -2.63 -0.01 0.00 0.02 0.00 0.00 41.25 38.77 2hpt s ASN 269 CO -0.15 -0.57 -0.07 -0.63 0.02 0.00 0.00 177.10 175.70 2hpt s ILE 270 N -1.27 3.41 -0.03 0.60 1.01 -1.06 -1.23 121.20 122.62 2hpt s ILE 270 Ca 0.53 -0.51 0.07 0.00 0.00 0.00 0.00 60.65 60.74 2hpt s ILE 270 Cb -0.34 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 2hpt s ILE 270 CO 0.44 0.47 -0.24 -0.36 0.00 0.00 0.00 174.94 175.25 2hpt s PHE 271 N 0.86 2.22 0.26 3.97 0.40 0.43 -1.11 117.98 125.01 2hpt s PHE 271 Ca -0.02 -0.49 -0.30 0.00 -0.60 0.00 0.00 56.93 55.52 2hpt s PHE 271 Cb -0.15 -1.44 -0.11 0.00 0.51 0.00 0.00 43.02 41.84 2hpt s PHE 271 CO 0.01 -0.09 1.53 1.21 0.70 0.00 0.00 175.22 178.58 2hpt s ASN 272 N -0.44 6.51 0.56 1.36 3.84 0.30 -0.34 114.94 126.74 2hpt s ASN 272 Ca 0.06 2.79 0.37 0.00 0.21 0.00 0.00 52.86 56.29 2hpt s ASN 272 Cb -0.11 -2.62 1.90 0.00 -0.55 0.00 0.00 41.25 39.87 2hpt s ASN 272 CO 0.00 -0.82 2.13 0.77 -2.79 0.00 0.00 177.10 176.40 2hpt h SER 273 N 5.23 0.00 -1.00 -4.21 4.64 -1.31 0.11 113.55 117.00 2hpt h SER 273 Ca -0.46 0.00 0.29 0.00 -0.47 0.00 0.00 61.79 61.15 2hpt h SER 273 Cb 1.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.26 2hpt h SER 273 CO 0.81 0.00 0.72 0.50 -0.87 0.00 0.00 176.83 177.98 2hpt h LYS 274 N 0.00 0.04 -0.45 4.77 3.64 -1.89 -1.08 116.57 121.60 2hpt h LYS 274 Ca 0.00 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2hpt h LYS 274 Cb 0.16 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 2hpt h LYS 274 CO 0.00 0.03 0.05 0.66 -2.27 0.00 0.00 179.45 177.92 2hpt n TYR 275 N -4.27 1.57 0.00 1.91 4.01 0.37 -4.57 117.16 116.18 2hpt n TYR 275 Ca 0.21 -0.99 0.00 0.00 -0.16 0.00 0.00 57.90 56.97 2hpt n TYR 275 Cb 1.04 -0.46 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 2hpt n TYR 275 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2hpt n VAL 276 N -0.23 0.00 -3.09 -0.72 0.31 -0.52 -4.63 118.33 109.44 2hpt n VAL 276 Ca 0.28 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.21 2hpt n VAL 276 Cb 1.09 -0.99 -0.06 0.00 -0.91 0.00 0.00 33.84 32.97 2hpt n VAL 276 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2hpt s LEU 277 N -5.41 4.07 -0.07 7.52 1.43 -0.53 -4.20 118.68 121.50 2hpt s LEU 277 Ca 0.00 0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 53.73 2hpt s LEU 277 Cb 0.00 -2.87 0.02 0.00 0.03 0.00 0.00 46.19 43.36 2hpt s LEU 277 CO 0.00 -0.40 0.17 0.00 0.23 0.00 0.00 176.35 176.36 2hpt s ALA 278 N 2.55 -0.43 0.03 4.21 0.00 -0.60 -4.91 121.76 122.61 2hpt s ALA 278 Ca 0.27 0.51 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 2hpt s ALA 278 Cb -0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2hpt s ALA 278 CO 0.09 -0.09 0.06 0.50 0.00 0.00 0.00 175.76 176.32 2hpt s ARG 279 N 0.16 0.51 0.61 0.00 3.52 -1.26 -4.31 118.95 118.18 2hpt s ARG 279 Ca -0.01 -0.73 0.37 0.00 -0.13 0.00 0.00 55.73 55.23 2hpt s ARG 279 Cb -0.02 0.20 1.96 0.00 -1.56 0.00 0.00 34.95 35.53 2hpt s ARG 279 CO -0.00 -0.12 2.23 1.79 -0.81 0.00 0.00 175.30 178.39 2hpt h THR 280 N 3.91 0.21 0.00 4.11 1.35 -1.96 -1.15 112.91 119.38 2hpt h THR 280 Ca -0.32 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2hpt h THR 280 Cb 1.19 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.76 2hpt h THR 280 CO 0.49 0.03 -0.56 -0.90 -0.25 0.00 0.00 175.52 174.33 2hpt n ASP 281 N -3.33 0.54 -0.01 5.36 5.75 -1.26 -0.85 116.55 122.75 2hpt n ASP 281 Ca -0.02 -0.17 0.07 0.00 -0.01 0.00 0.00 54.79 54.65 2hpt n ASP 281 Cb 0.14 0.27 -0.10 0.00 -1.03 0.00 0.00 41.12 40.40 2hpt n ASP 281 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2hpt n THR 282 N -1.64 0.00 -4.46 2.12 -2.24 -0.74 -4.46 114.28 102.85 2hpt n THR 282 Ca 0.05 -0.30 -0.20 0.00 -2.27 0.00 0.00 64.05 61.33 2hpt n THR 282 Cb 0.36 0.27 -0.14 0.00 -2.10 0.00 0.00 70.33 68.72 2hpt n THR 282 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hpt s ALA 283 N -2.87 1.07 0.49 6.98 0.00 -0.51 -4.79 121.76 122.13 2hpt s ALA 283 Ca -0.04 -0.65 0.02 0.00 0.00 0.00 0.00 51.96 51.29 2hpt s ALA 283 Cb 0.09 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.00 2hpt s ALA 283 CO 0.56 0.23 0.70 0.95 0.00 0.00 0.00 175.76 178.21 2hpt s THR 284 N -0.53 3.16 0.34 0.00 -4.23 -1.26 -4.19 115.64 108.93 2hpt s THR 284 Ca 0.03 -0.68 0.09 0.00 -1.18 0.00 0.00 61.69 59.95 2hpt s THR 284 Cb -0.06 -3.16 0.32 0.00 1.34 0.00 0.00 72.50 70.94 2hpt s THR 284 CO 0.00 -0.10 1.82 0.44 -0.54 0.00 0.00 174.62 176.24 2hpt h ASP 285 N 0.28 0.69 -0.39 3.99 3.32 -1.95 -1.30 116.42 121.05 2hpt h ASP 285 Ca -0.43 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 56.61 2hpt h ASP 285 Cb 1.28 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 2hpt h ASP 285 CO 0.53 0.28 -0.04 0.50 -1.72 0.00 0.00 179.24 178.79 2hpt h LYS 286 N 0.69 0.71 -0.42 3.56 3.64 -1.98 -1.35 116.57 121.42 2hpt h LYS 286 Ca 0.52 -0.25 0.06 0.00 -1.27 0.00 0.00 60.65 59.72 2hpt h LYS 286 Cb 0.90 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.61 2hpt h LYS 286 CO -0.28 0.83 0.09 -0.44 -2.27 0.00 0.00 179.45 177.37 2hpt h ASP 287 N 0.53 0.02 -0.36 4.20 3.32 -1.75 0.21 116.42 122.58 2hpt h ASP 287 Ca 0.11 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.27 2hpt h ASP 287 Cb 0.53 0.09 -0.05 0.00 0.22 0.00 0.00 39.33 40.13 2hpt h ASP 287 CO 0.03 0.04 0.09 1.88 -1.72 0.00 0.00 179.24 179.57 2hpt h TYR 288 N 0.22 0.16 0.00 4.55 -1.99 -1.11 0.15 116.97 118.95 2hpt h TYR 288 Ca 0.20 0.02 -0.13 0.00 2.00 0.00 0.00 58.73 60.83 2hpt h TYR 288 Cb 0.24 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.94 2hpt h TYR 288 CO -0.20 0.05 -0.60 -0.07 -0.00 0.00 0.00 178.16 177.33 2hpt h LEU 289 N 0.23 0.00 -0.26 3.88 3.38 -0.95 -2.07 115.31 119.51 2hpt h LEU 289 Ca 0.17 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 2hpt h LEU 289 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2hpt h LEU 289 CO -0.21 0.60 -0.19 0.44 0.09 0.00 0.00 178.44 179.18 2hpt h ASP 290 N 0.00 0.61 -0.43 -0.43 3.32 -0.28 -2.17 116.42 117.05 2hpt h ASP 290 Ca -0.01 -0.44 0.04 0.00 0.02 0.00 0.00 57.03 56.64 2hpt h ASP 290 Cb 1.13 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.47 2hpt h ASP 290 CO 0.08 0.93 0.18 0.40 -1.72 0.00 0.00 179.24 179.11 2hpt h ILE 291 N 0.30 0.92 -0.29 0.35 2.04 -0.56 -0.24 117.51 120.03 2hpt h ILE 291 Ca 0.05 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.81 2hpt h ILE 291 Cb 0.73 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 2hpt h ILE 291 CO 0.05 0.07 0.12 -0.08 0.00 0.00 0.00 178.15 178.31 2hpt h GLU 292 N 0.37 0.26 -0.16 2.37 4.81 -1.36 -0.09 114.58 120.78 2hpt h GLU 292 Ca 0.19 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 2hpt h GLU 292 Cb 0.14 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 2hpt h GLU 292 CO -0.17 0.17 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.13 2hpt h ARG 293 N 0.26 -0.04 0.01 1.92 2.43 -0.90 -0.74 114.38 117.33 2hpt h ARG 293 Ca 0.13 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2hpt h ARG 293 Cb 0.07 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2hpt h ARG 293 CO -0.11 -0.02 -0.16 0.28 -1.51 0.00 0.00 179.97 178.45 2hpt h VAL 294 N -0.04 1.63 -0.67 0.20 2.07 -0.85 0.28 116.25 118.87 2hpt h VAL 294 Ca 0.09 -2.07 0.10 0.00 0.82 0.00 0.00 66.70 65.64 2hpt h VAL 294 Cb 0.17 3.00 -0.12 0.00 -1.52 0.00 0.00 31.29 32.82 2hpt h VAL 294 CO -0.19 0.55 -0.41 0.40 0.02 0.00 0.00 177.57 177.94 2hpt h ILE 295 N -0.70 0.09 -0.10 4.57 1.08 -1.09 -1.80 117.51 119.55 2hpt h ILE 295 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 2hpt h ILE 295 Cb 0.99 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 2hpt h ILE 295 CO 0.03 0.00 0.05 1.23 -0.69 0.00 0.00 178.15 178.77 2hpt h GLY 296 N -0.16 0.14 0.22 5.37 0.00 -1.02 -1.97 103.07 105.64 2hpt h GLY 296 Ca 0.22 -0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.56 2hpt h GLY 296 CO -0.75 0.04 -0.24 0.84 0.00 0.00 0.00 176.54 176.43 2hpt h HIS 297 N 0.12 -0.63 -0.14 5.60 -0.00 0.08 0.17 115.15 120.34 2hpt h HIS 297 Ca 0.04 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.35 2hpt h HIS 297 Cb 0.00 0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.71 2hpt h HIS 297 CO -0.08 -0.32 -0.32 0.93 -0.00 0.00 0.00 177.93 178.14 2hpt h GLU 298 N -0.27 0.27 -0.50 5.26 4.39 -1.28 -2.21 114.58 120.25 2hpt h GLU 298 Ca 0.12 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2hpt h GLU 298 Cb 0.45 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 2hpt h GLU 298 CO -0.35 0.57 0.27 -0.92 -1.16 0.00 0.00 179.01 177.42 2hpt h TYR 299 N 0.24 0.68 0.00 4.33 3.20 -0.54 -2.83 116.97 122.04 2hpt h TYR 299 Ca 0.03 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 2hpt h TYR 299 Cb 0.68 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2hpt h TYR 299 CO 0.01 0.51 -0.18 0.74 -1.64 0.00 0.00 178.16 177.60 2hpt h PHE 300 N 0.66 0.00 0.00 -3.82 0.04 -0.10 -0.36 116.94 113.35 2hpt h PHE 300 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 2hpt h PHE 300 Cb 0.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.20 2hpt h PHE 300 CO -0.02 0.18 0.00 0.45 -0.60 0.00 0.00 178.31 178.32 2hpt h HIS 301 N 0.00 0.00 -0.97 -0.55 3.86 -1.20 -2.50 115.15 113.79 2hpt h HIS 301 Ca -0.00 0.00 0.21 0.00 -1.16 0.00 0.00 60.37 59.42 2hpt h HIS 301 Cb 0.47 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.85 2hpt h HIS 301 CO 0.00 0.00 0.62 -0.97 0.86 0.00 0.00 177.93 178.44 2hpt h ASN 302 N 0.00 0.56 0.00 2.45 -1.24 -1.11 0.11 115.58 116.35 2hpt h ASN 302 Ca 0.00 0.07 -0.41 0.00 0.71 0.00 0.00 56.30 56.67 2hpt h ASN 302 Cb 0.28 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.24 2hpt h ASN 302 CO 0.00 0.19 -2.23 0.79 -1.29 0.00 0.00 177.43 174.89 2hpt n TRP 303 N -4.63 0.26 -2.99 0.67 7.02 -1.13 -1.54 117.44 115.09 2hpt n TRP 303 Ca 0.22 0.11 -0.44 0.00 -1.02 0.00 0.00 57.50 56.37 2hpt n TRP 303 Cb 0.70 -1.03 0.00 0.00 -2.42 0.00 0.00 31.31 28.56 2hpt n TRP 303 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 2hpt n THR 304 N -4.29 4.44 0.00 -0.99 -2.24 -0.95 -2.60 114.28 107.65 2hpt n THR 304 Ca -0.49 -4.97 0.00 0.00 -2.27 0.00 0.00 64.05 56.32 2hpt n THR 304 Cb 0.84 -2.46 0.00 0.00 -2.10 0.00 0.00 70.33 66.61 2hpt n THR 304 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hpt n GLY 305 N 3.32 3.83 0.04 3.38 0.00 0.40 -4.35 105.19 111.79 2hpt n GLY 305 Ca 0.33 -0.59 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 2hpt n GLY 305 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2hpt n ASN 306 N 0.00 0.84 -0.21 1.61 4.13 0.36 -3.52 115.26 118.47 2hpt n ASN 306 Ca 0.00 0.32 -0.01 0.00 1.68 0.00 0.00 54.58 56.57 2hpt n ASN 306 Cb 0.00 -0.64 0.21 0.00 -1.54 0.00 0.00 39.78 37.81 2hpt n ASN 306 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 2hpt h ARG 307 N -0.45 0.98 -5.05 3.52 2.47 -1.36 -3.32 114.38 111.17 2hpt h ARG 307 Ca 0.00 -0.10 -0.67 0.00 -1.26 0.00 0.00 59.98 57.95 2hpt h ARG 307 Cb 0.32 -0.20 -0.35 0.00 -1.65 0.00 0.00 29.97 28.09 2hpt h ARG 307 CO 0.00 0.71 -0.86 0.08 0.56 0.00 0.00 179.97 180.46 2hpt s VAL 308 N -5.68 2.05 0.00 2.04 1.01 -1.07 -0.24 120.40 118.51 2hpt s VAL 308 Ca -0.11 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2hpt s VAL 308 Cb 0.17 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.69 2hpt s VAL 308 CO 0.79 0.53 0.00 1.07 0.00 0.00 0.00 175.10 177.49 2hpt n THR 309 N 4.62 0.00 -3.81 3.92 5.66 -0.89 -0.46 114.28 123.33 2hpt n THR 309 Ca -0.21 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.44 2hpt n THR 309 Cb 0.50 -0.58 -0.09 0.00 -1.55 0.00 0.00 70.33 68.61 2hpt n THR 309 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hpt h ARG 311 N 6.98 0.50 -3.46 0.00 2.43 -1.19 -3.34 114.38 116.30 2hpt h ARG 311 Ca -0.39 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 58.67 2hpt h ARG 311 Cb 1.16 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.55 2hpt h ARG 311 CO 0.70 0.42 0.02 0.16 -1.51 0.00 0.00 179.97 179.77 2hpt s ASP 312 N -6.73 0.04 0.30 -3.80 1.47 -1.26 -3.43 116.67 103.26 2hpt s ASP 312 Ca -0.08 -0.98 0.26 0.00 1.18 0.00 0.00 52.55 52.93 2hpt s ASP 312 Cb 0.17 0.68 0.82 0.00 -0.34 0.00 0.00 42.92 44.24 2hpt s ASP 312 CO 0.74 -1.31 1.75 -0.50 0.68 0.00 0.00 175.17 176.53 2hpt h TRP 313 N 2.13 0.00 0.00 2.11 4.06 -2.01 -2.52 115.95 119.72 2hpt h TRP 313 Ca -0.26 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.69 2hpt h TRP 313 Cb 1.25 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.41 2hpt h TRP 313 CO 0.75 0.00 -0.02 0.74 -3.56 0.00 0.00 178.44 176.35 2hpt h PHE 314 N 0.00 0.00 -0.25 0.49 0.04 -1.97 -1.36 116.94 113.88 2hpt h PHE 314 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2hpt h PHE 314 Cb 0.68 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.83 2hpt h PHE 314 CO 0.00 0.02 0.00 1.04 -0.60 0.00 0.00 178.31 178.77 2hpt n GLN 315 N -3.13 2.01 -0.32 1.51 1.13 -0.95 -3.86 117.38 113.77 2hpt n GLN 315 Ca -0.00 -1.09 0.15 0.00 -1.94 0.00 0.00 57.00 54.12 2hpt n GLN 315 Cb 0.26 -1.47 0.34 0.00 0.11 0.00 0.00 30.24 29.48 2hpt n GLN 315 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 2hpt h LEU 316 N 1.59 0.43 -2.22 1.08 5.85 -1.40 -0.07 115.31 120.57 2hpt h LEU 316 Ca 0.00 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 2hpt h LEU 316 Cb 0.67 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 2hpt h LEU 316 CO 0.08 0.01 -0.05 -1.28 -0.34 0.00 0.00 178.44 176.86 2hpt h SER 317 N 0.44 0.00 -0.94 1.25 0.87 -1.82 -0.97 113.55 112.38 2hpt h SER 317 Ca 0.60 0.00 0.17 0.00 -1.23 0.00 0.00 61.79 61.33 2hpt h SER 317 Cb 1.15 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.03 2hpt h SER 317 CO -0.52 0.05 0.60 0.25 -0.53 0.00 0.00 176.83 176.68 2hpt h LEU 318 N 0.00 0.66 0.03 2.23 5.85 -1.35 0.35 115.31 123.08 2hpt h LEU 318 Ca -0.00 0.06 -0.38 0.00 0.84 0.00 0.00 57.88 58.40 2hpt h LEU 318 Cb 0.14 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 2hpt h LEU 318 CO 0.01 0.29 -2.21 2.29 -0.34 0.00 0.00 178.44 178.48 2hpt n LYS 319 N -4.61 0.65 -0.03 1.25 2.85 -0.56 -4.26 118.16 113.44 2hpt n LYS 319 Ca 0.20 0.26 -0.16 0.00 -1.05 0.00 0.00 58.31 57.56 2hpt n LYS 319 Cb 0.55 -1.59 -0.07 0.00 -0.65 0.00 0.00 35.03 33.26 2hpt n LYS 319 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 2hpt h GLU 320 N -0.36 0.68 -0.28 -1.58 4.39 -0.97 0.93 114.58 117.39 2hpt h GLU 320 Ca -0.54 -0.53 -0.07 0.00 0.34 0.00 0.00 59.36 58.57 2hpt h GLU 320 Cb 1.78 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.53 2hpt h GLU 320 CO -0.14 1.15 -0.08 0.78 -1.16 0.00 0.00 179.01 179.55 2hpt h GLY 321 N 0.36 0.60 1.38 -3.84 0.00 -0.38 -0.56 103.07 100.62 2hpt h GLY 321 Ca -0.03 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.67 2hpt h GLY 321 CO 0.13 0.46 -0.33 -2.00 0.00 0.00 0.00 176.54 174.79 2hpt h LEU 322 N 0.31 0.73 -0.49 3.11 5.85 -1.58 -0.54 115.31 122.69 2hpt h LEU 322 Ca 0.07 -0.30 -0.15 0.00 0.84 0.00 0.00 57.88 58.34 2hpt h LEU 322 Cb 0.57 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2hpt h LEU 322 CO 0.03 1.00 -0.72 0.74 -0.34 0.00 0.00 178.44 179.15 2hpt h THR 323 N 0.59 1.46 -0.21 1.05 2.02 -0.73 -1.74 112.91 115.36 2hpt h THR 323 Ca 0.06 -2.51 -0.05 0.00 0.77 0.00 0.00 66.41 64.68 2hpt h THR 323 Cb 0.85 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 69.62 2hpt h THR 323 CO 0.07 0.71 -0.07 0.58 0.37 0.00 0.00 175.52 177.18 2hpt h VAL 324 N 0.00 1.29 -0.76 3.16 2.07 -0.94 -0.64 116.25 120.44 2hpt h VAL 324 Ca -0.01 -1.08 0.15 0.00 0.82 0.00 0.00 66.70 66.58 2hpt h VAL 324 Cb 1.31 1.57 -0.10 0.00 -1.52 0.00 0.00 31.29 32.56 2hpt h VAL 324 CO 0.09 0.33 0.30 0.15 0.02 0.00 0.00 177.57 178.46 2hpt h PHE 325 N 0.13 0.51 -0.37 1.57 3.57 -1.04 0.11 116.94 121.42 2hpt h PHE 325 Ca 0.05 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 2hpt h PHE 325 Cb 0.53 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2hpt h PHE 325 CO 0.06 0.05 0.07 0.00 -2.23 0.00 0.00 178.31 176.26 2hpt h ARG 326 N 0.44 0.60 -0.03 1.11 3.08 -1.13 -1.21 114.38 117.24 2hpt h ARG 326 Ca 0.42 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 60.22 2hpt h ARG 326 Cb 0.65 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2hpt h ARG 326 CO -0.41 0.66 -0.44 0.38 -1.07 0.00 0.00 179.97 179.09 2hpt h ASP 327 N 0.45 0.07 -0.43 7.04 3.04 -0.35 -0.09 116.42 126.15 2hpt h ASP 327 Ca 0.11 -0.03 -0.06 0.00 -3.24 0.00 0.00 57.03 53.81 2hpt h ASP 327 Cb 0.34 -0.02 -0.02 0.00 -1.04 0.00 0.00 39.33 38.60 2hpt h ASP 327 CO 0.01 0.51 0.01 1.56 -2.04 0.00 0.00 179.24 179.29 2hpt h GLN 328 N 0.06 0.75 -0.89 4.15 4.20 -0.93 -1.14 115.11 121.30 2hpt h GLN 328 Ca 0.00 -0.23 0.02 0.00 0.06 0.00 0.00 58.65 58.50 2hpt h GLN 328 Cb 0.81 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.47 2hpt h GLN 328 CO 0.06 0.81 0.59 0.93 -0.67 0.00 0.00 178.83 180.55 2hpt h GLU 329 N 0.59 1.14 0.21 1.46 4.39 -0.87 -0.36 114.58 121.14 2hpt h GLU 329 Ca 0.12 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2hpt h GLU 329 Cb 0.47 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2hpt h GLU 329 CO 0.02 0.76 -0.10 0.35 -1.16 0.00 0.00 179.01 178.88 2hpt h PHE 330 N 1.18 -0.26 -0.74 4.33 3.57 -0.97 0.17 116.94 124.23 2hpt h PHE 330 Ca 0.34 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.77 2hpt h PHE 330 Cb -0.09 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2hpt h PHE 330 CO -0.01 -0.02 0.23 0.77 -2.23 0.00 0.00 178.31 177.05 2hpt h SER 331 N -0.47 1.08 -0.44 0.41 0.02 -1.15 -1.48 113.55 111.53 2hpt h SER 331 Ca -0.03 -0.21 -0.13 0.00 -0.84 0.00 0.00 61.79 60.59 2hpt h SER 331 Cb 0.35 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 2hpt h SER 331 CO 0.05 1.00 -0.22 0.28 -1.14 0.00 0.00 176.83 176.80 2hpt h SER 332 N 1.10 0.95 -0.39 3.07 0.02 -1.02 0.12 113.55 117.39 2hpt h SER 332 Ca 0.24 -0.41 -0.08 0.00 -0.84 0.00 0.00 61.79 60.70 2hpt h SER 332 Cb 0.31 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2hpt h SER 332 CO -0.01 1.14 -0.06 0.44 -1.14 0.00 0.00 176.83 177.20 2hpt h ASP 333 N 0.75 0.73 0.61 3.07 3.32 -0.74 -3.15 116.42 121.00 2hpt h ASP 333 Ca 0.10 -0.35 -0.23 0.00 0.02 0.00 0.00 57.03 56.57 2hpt h ASP 333 Cb 0.79 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 2hpt h ASP 333 CO 0.07 0.90 -1.01 -0.07 -1.72 0.00 0.00 179.24 177.41 2hpt h LEU 334 N 0.54 0.32 0.00 1.55 4.07 -1.25 -3.47 115.31 117.06 2hpt h LEU 334 Ca 0.10 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.77 2hpt h LEU 334 Cb 0.57 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.21 2hpt h LEU 334 CO 0.03 1.14 0.00 0.61 -1.08 0.00 0.00 178.44 179.15 2hpt n GLY 335 N 1.13 4.18 3.58 0.83 0.00 0.42 -4.98 105.19 110.35 2hpt n GLY 335 Ca -0.05 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.88 2hpt n GLY 335 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hpt s SER 336 N 0.39 6.40 0.20 1.61 0.15 -1.26 -4.84 113.70 116.34 2hpt s SER 336 Ca 0.00 0.17 -0.11 0.00 0.70 0.00 0.00 55.95 56.71 2hpt s SER 336 Cb 0.00 -2.30 0.16 0.00 -1.71 0.00 0.00 66.02 62.17 2hpt s SER 336 CO 0.00 -0.51 1.83 -0.09 1.20 0.00 0.00 173.24 175.67 2hpt h ARG 337 N 8.37 0.71 0.02 5.44 2.43 -1.86 -2.10 114.38 127.38 2hpt h ARG 337 Ca -0.27 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2hpt h ARG 337 Cb 1.12 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 2hpt h ARG 337 CO 0.80 0.47 -0.01 0.00 -1.51 0.00 0.00 179.97 179.72 2hpt h ALA 338 N 1.28 -0.02 -0.58 2.80 0.00 -1.92 0.10 119.26 120.92 2hpt h ALA 338 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2hpt h ALA 338 Cb 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2hpt h ALA 338 CO -0.12 -0.49 0.37 0.28 0.00 0.00 0.00 179.25 179.30 2hpt h VAL 339 N -0.07 1.16 0.11 0.00 2.07 -1.89 -0.31 116.25 117.32 2hpt h VAL 339 Ca -0.00 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2hpt h VAL 339 Cb 0.07 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2hpt h VAL 339 CO 0.00 0.16 -0.05 0.78 0.02 0.00 0.00 177.57 178.48 2hpt h ASN 340 N 0.79 -0.13 -0.73 0.57 2.35 -1.13 -1.39 115.58 115.91 2hpt h ASN 340 Ca 0.21 -0.05 0.07 0.00 -0.55 0.00 0.00 56.30 55.97 2hpt h ASN 340 Cb -0.07 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.28 2hpt h ASN 340 CO -0.04 -0.03 0.41 -0.09 -1.65 0.00 0.00 177.43 176.03 2hpt h ARG 341 N -0.22 0.72 0.17 0.81 9.65 -0.59 -1.46 114.38 123.46 2hpt h ARG 341 Ca -0.02 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2hpt h ARG 341 Cb 0.17 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 2hpt h ARG 341 CO 0.03 0.48 -0.15 0.82 2.80 0.00 0.00 179.97 183.94 2hpt h ILE 342 N 0.74 0.67 -0.68 1.20 2.04 -0.88 -1.08 117.51 119.51 2hpt h ILE 342 Ca 0.33 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.15 2hpt h ILE 342 Cb 0.23 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 2hpt h ILE 342 CO -0.20 0.00 0.27 0.78 0.00 0.00 0.00 178.15 179.00 2hpt h ASN 343 N -0.34 0.91 0.22 1.72 2.35 -1.03 0.04 115.58 119.46 2hpt h ASN 343 Ca -0.00 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.51 2hpt h ASN 343 Cb 0.31 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2hpt h ASN 343 CO -0.03 0.81 -0.41 0.78 -1.65 0.00 0.00 177.43 176.94 2hpt h ASN 344 N 0.98 0.26 -0.24 5.81 2.35 -1.18 -2.15 115.58 121.42 2hpt h ASN 344 Ca 0.23 -0.11 -0.16 0.00 -0.55 0.00 0.00 56.30 55.71 2hpt h ASN 344 Cb 0.18 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2hpt h ASN 344 CO -0.02 0.65 -0.47 0.58 -1.65 0.00 0.00 177.43 176.52 2hpt h VAL 345 N 0.21 1.30 -0.42 2.81 2.07 -0.82 -1.62 116.25 119.78 2hpt h VAL 345 Ca 0.02 -1.67 0.08 0.00 0.82 0.00 0.00 66.70 65.95 2hpt h VAL 345 Cb 0.82 1.76 -0.07 0.00 -1.52 0.00 0.00 31.29 32.28 2hpt h VAL 345 CO 0.06 0.53 -0.01 0.03 0.02 0.00 0.00 177.57 178.20 2hpt h ARG 346 N 0.46 0.09 -0.40 1.57 3.08 -0.95 0.34 114.38 118.56 2hpt h ARG 346 Ca 0.01 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.08 2hpt h ARG 346 Cb 1.07 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.07 2hpt h ARG 346 CO 0.10 0.06 0.20 1.15 -1.07 0.00 0.00 179.97 180.41 2hpt h THR 347 N 0.09 0.97 0.50 2.04 2.02 -1.38 0.20 112.91 117.35 2hpt h THR 347 Ca 0.21 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 2hpt h THR 347 Cb 0.30 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2hpt h THR 347 CO -0.36 0.07 -0.37 0.24 0.37 0.00 0.00 175.52 175.48 2hpt h MET 348 N 0.40 -0.81 -0.12 6.66 2.86 -0.82 -0.36 114.93 122.74 2hpt h MET 348 Ca 0.17 0.06 -0.20 0.00 -2.06 0.00 0.00 59.70 57.67 2hpt h MET 348 Cb 0.08 0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.93 2hpt h MET 348 CO -0.12 -0.54 -0.74 0.00 1.06 0.00 0.00 176.91 176.57 2hpt h ARG 349 N -0.85 0.58 0.00 1.72 3.08 -0.95 0.40 114.38 118.36 2hpt h ARG 349 Ca -0.05 -0.46 -0.23 0.00 0.07 0.00 0.00 59.98 59.30 2hpt h ARG 349 Cb 0.71 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.82 2hpt h ARG 349 CO 0.01 1.09 -1.30 0.78 -1.07 0.00 0.00 179.97 179.49 2hpt h GLY 350 N 0.98 0.00 0.00 0.04 0.00 -0.64 -3.39 103.07 100.06 2hpt h GLY 350 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 2hpt h GLY 350 CO 0.14 0.00 -1.25 1.04 0.00 0.00 0.00 176.54 176.47 2hpt n LEU 351 N -3.17 0.96 -0.04 3.11 4.77 -0.21 -4.33 117.00 118.08 2hpt n LEU 351 Ca -0.08 0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.79 2hpt n LEU 351 Cb 0.96 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.83 2hpt n LEU 351 CO 0.45 0.21 0.42 -0.61 -1.33 0.00 0.00 177.39 176.53 2hpt h GLN 352 N -0.12 0.50 -0.69 3.23 -0.00 -0.90 -2.78 115.11 114.34 2hpt h GLN 352 Ca -0.11 -0.38 0.13 0.00 -0.00 0.00 0.00 58.65 58.29 2hpt h GLN 352 Cb 1.11 0.07 -0.09 0.00 0.00 0.00 0.00 27.48 28.57 2hpt h GLN 352 CO -0.06 1.00 0.23 0.74 0.00 0.00 0.00 178.83 180.74 2hpt h PHE 353 N 0.10 0.38 -0.78 3.99 -1.00 -1.12 -0.44 116.94 118.08 2hpt h PHE 353 Ca -0.02 0.04 0.09 0.00 2.81 0.00 0.00 57.97 60.89 2hpt h PHE 353 Cb 1.05 -0.07 -0.07 0.00 3.61 0.00 0.00 35.95 40.48 2hpt h PHE 353 CO 0.11 0.03 0.43 0.00 -1.61 0.00 0.00 178.31 177.26 2hpt h ALA 354 N 1.52 1.09 -0.33 2.45 0.00 -1.77 -1.36 119.26 120.85 2hpt h ALA 354 Ca 0.37 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.18 2hpt h ALA 354 Cb 0.55 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2hpt h ALA 354 CO -0.40 0.05 -0.35 1.49 0.00 0.00 0.00 179.25 180.05 2hpt h GLU 355 N 0.73 0.74 0.00 0.00 4.81 -0.87 -2.52 114.58 117.47 2hpt h GLU 355 Ca 0.37 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2hpt h GLU 355 Cb 0.35 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2hpt h GLU 355 CO -0.25 0.98 0.00 -0.44 -0.73 0.00 0.00 179.01 178.57 2hpt h ASP 356 N 0.62 0.00 -0.43 1.04 3.32 -0.53 -1.41 116.42 119.04 2hpt h ASP 356 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2hpt h ASP 356 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 2hpt h ASP 356 CO 0.08 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.60 2hpt n ALA 357 N -1.90 2.42 -2.11 3.45 0.00 -0.57 -4.24 120.51 117.56 2hpt n ALA 357 Ca 0.01 -0.99 -0.19 0.00 0.00 0.00 0.00 53.44 52.27 2hpt n ALA 357 Cb 0.25 -0.91 0.02 0.00 0.00 0.00 0.00 19.45 18.80 2hpt n ALA 357 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2hpt s SER 358 N -1.40 5.61 0.46 0.00 1.04 -0.53 -5.01 113.70 113.87 2hpt s SER 358 Ca 0.40 -0.18 0.31 0.00 0.48 0.00 0.00 55.95 56.96 2hpt s SER 358 Cb 0.23 -0.92 1.54 0.00 0.10 0.00 0.00 66.02 66.97 2hpt s SER 358 CO 0.31 -0.82 1.95 -0.65 0.98 0.00 0.00 173.24 175.01 2hpt h PRO 359 N 0.48 0.00 -0.40 4.02 0.11 -1.83 -2.55 132.00 131.81 2hpt h PRO 359 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2hpt h PRO 359 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2hpt h PRO 359 CO 0.50 0.00 0.00 -1.33 -0.21 0.00 0.00 178.00 176.96 2hpt n MET 360 N -2.68 1.93 -1.71 1.05 2.81 -1.26 -4.83 117.12 112.43 2hpt n MET 360 Ca -0.01 -1.28 -0.43 0.00 -1.81 0.00 0.00 57.70 54.18 2hpt n MET 360 Cb 0.15 -1.34 -0.01 0.00 -0.71 0.00 0.00 33.22 31.30 2hpt n MET 360 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2hpt n ALA 361 N 0.49 1.58 -3.27 3.04 0.00 -0.96 -4.99 120.51 116.40 2hpt n ALA 361 Ca 0.12 0.37 -0.14 0.00 0.00 0.00 0.00 53.44 53.79 2hpt n ALA 361 Cb 0.34 -2.31 -0.06 0.00 0.00 0.00 0.00 19.45 17.42 2hpt n ALA 361 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2hpt s HIS 362 N -0.65 -0.36 0.73 0.00 -3.43 -1.26 -4.72 115.29 105.59 2hpt s HIS 362 Ca 0.60 0.43 -0.14 0.00 -0.80 0.00 0.00 55.06 55.15 2hpt s HIS 362 Cb -0.57 0.27 0.04 0.00 -1.43 0.00 0.00 32.58 30.89 2hpt s HIS 362 CO 0.57 -0.58 1.14 -2.14 -2.00 0.00 0.00 174.74 171.73 2hpt s PRO 363 N -2.16 2.32 0.54 -0.38 0.02 -1.26 -4.64 135.00 129.45 2hpt s PRO 363 Ca -0.07 1.46 0.25 0.00 0.02 0.00 0.00 61.00 62.67 2hpt s PRO 363 Cb -0.01 -1.88 1.42 0.00 0.02 0.00 0.00 34.50 34.05 2hpt s PRO 363 CO 0.00 -1.64 2.01 -0.84 -0.33 0.00 0.00 177.00 176.21 2hpt h ILE 364 N -0.49 0.70 -3.41 2.83 3.07 -1.76 -3.04 117.51 115.40 2hpt h ILE 364 Ca -0.46 0.00 -0.74 0.00 1.55 0.00 0.00 64.86 65.21 2hpt h ILE 364 Cb 1.26 0.76 -0.28 0.00 -0.27 0.00 0.00 36.82 38.28 2hpt h ILE 364 CO 0.51 0.00 -0.24 -0.60 -1.05 0.00 0.00 178.15 176.77 2hpt s ARG 365 N -4.95 2.85 0.85 0.16 3.52 -1.05 -4.31 118.95 116.03 2hpt s ARG 365 Ca -0.05 -2.03 -0.11 0.00 -0.13 0.00 0.00 55.73 53.41 2hpt s ARG 365 Cb 0.19 -4.09 0.11 0.00 -1.56 0.00 0.00 34.95 29.59 2hpt s ARG 365 CO 0.69 -1.24 1.16 -2.14 -0.81 0.00 0.00 175.30 172.96 2hpt s PRO 366 N 0.92 1.47 -0.02 5.12 0.02 -1.15 -4.73 135.00 136.62 2hpt s PRO 366 Ca 0.10 1.56 0.16 0.00 0.02 0.00 0.00 61.00 62.84 2hpt s PRO 366 Cb -0.22 -1.78 -0.24 0.00 0.02 0.00 0.00 34.50 32.28 2hpt s PRO 366 CO -0.02 -2.30 0.35 -0.25 -0.33 0.00 0.00 177.00 174.44 2hpt n ASP 367 N -3.74 1.44 -3.73 2.53 8.00 -1.26 -4.72 116.55 115.07 2hpt n ASP 367 Ca 0.12 -0.02 -0.12 0.00 0.71 0.00 0.00 54.79 55.47 2hpt n ASP 367 Cb 0.52 1.69 -0.13 0.00 -0.02 0.00 0.00 41.12 43.18 2hpt n ASP 367 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2hpt s MET 368 N -3.06 0.23 -0.06 -1.24 1.75 -1.26 -0.69 119.30 114.98 2hpt s MET 368 Ca -0.05 0.55 -0.03 0.00 -1.25 0.00 0.00 55.69 54.91 2hpt s MET 368 Cb 0.10 -0.10 0.03 0.00 2.84 0.00 0.00 34.83 37.70 2hpt s MET 368 CO 0.64 -0.16 0.14 0.08 -0.65 0.00 0.00 175.02 175.07 2hpt s VAL 369 N 1.25 -0.04 -0.23 10.11 1.01 -0.10 -4.96 120.40 127.44 2hpt s VAL 369 Ca -0.09 0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.86 2hpt s VAL 369 Cb -0.10 -0.22 -0.12 0.00 0.00 0.00 0.00 36.38 35.93 2hpt s VAL 369 CO -0.09 0.06 -0.16 -0.38 0.00 0.00 0.00 175.10 174.53 2hpt n ILE 370 N 3.93 1.51 -3.93 2.22 5.41 -1.26 0.04 119.36 127.28 2hpt n ILE 370 Ca -0.23 -0.13 -0.30 0.00 1.00 0.00 0.00 62.75 63.09 2hpt n ILE 370 Cb 0.53 -2.06 -0.15 0.00 -0.71 0.00 0.00 39.64 37.25 2hpt n ILE 370 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2hpt s GLU 371 N -2.49 1.51 0.50 0.38 2.56 -1.26 -4.82 118.70 115.07 2hpt s GLU 371 Ca -0.32 -1.11 0.19 0.00 0.00 0.00 0.00 54.97 53.74 2hpt s GLU 371 Cb 0.09 -2.60 1.25 0.00 2.00 0.00 0.00 34.13 34.87 2hpt s GLU 371 CO 0.48 -0.68 2.05 1.98 -0.56 0.00 0.00 175.26 178.53 2hpt h MET 372 N 7.93 0.11 0.00 4.30 1.85 -2.00 0.22 114.93 127.34 2hpt h MET 372 Ca -0.16 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.93 2hpt h MET 372 Cb 1.06 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.06 2hpt h MET 372 CO 0.43 0.07 0.00 0.09 -0.40 0.00 0.00 176.91 177.11 2hpt n ASN 373 N -4.46 0.20 0.00 1.39 3.02 -1.26 -1.73 115.26 112.42 2hpt n ASN 373 Ca 0.05 0.57 0.14 0.00 -0.03 0.00 0.00 54.58 55.31 2hpt n ASN 373 Cb 0.36 -0.61 0.67 0.00 -0.61 0.00 0.00 39.78 39.60 2hpt n ASN 373 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2hpt n ASN 374 N -1.75 0.00 -0.67 6.41 3.02 0.76 -3.86 115.26 119.18 2hpt n ASN 374 Ca 0.01 0.08 0.07 0.00 -0.03 0.00 0.00 54.58 54.71 2hpt n ASN 374 Cb 0.10 -0.35 0.21 0.00 -0.61 0.00 0.00 39.78 39.13 2hpt n ASN 374 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2hpt n PHE 375 N -1.35 0.64 -2.72 3.10 3.72 -0.71 -4.74 117.46 115.40 2hpt n PHE 375 Ca 0.11 -1.03 -0.43 0.00 -0.05 0.00 0.00 57.45 56.05 2hpt n PHE 375 Cb 0.26 -0.29 0.01 0.00 -0.94 0.00 0.00 39.48 38.52 2hpt n PHE 375 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2hpt n TYR 376 N -0.89 2.92 -4.24 1.38 4.02 -1.25 -4.76 117.16 114.33 2hpt n TYR 376 Ca 0.21 -2.80 -0.24 0.00 -0.01 0.00 0.00 57.90 55.06 2hpt n TYR 376 Cb 0.83 -1.65 -0.08 0.00 -0.02 0.00 0.00 39.34 38.42 2hpt n TYR 376 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2hpt s THR 377 N -1.00 2.84 0.42 -0.72 -4.23 -1.26 -4.97 115.64 106.72 2hpt s THR 377 Ca 0.36 -1.86 0.21 0.00 -1.18 0.00 0.00 61.69 59.22 2hpt s THR 377 Cb 0.06 -2.87 0.41 0.00 1.34 0.00 0.00 72.50 71.44 2hpt s THR 377 CO 0.04 -0.21 1.77 -0.07 -0.54 0.00 0.00 174.62 175.62 2hpt h LEU 378 N 1.71 0.38 0.23 4.79 3.38 -1.97 0.20 115.31 124.04 2hpt h LEU 378 Ca -0.43 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 2hpt h LEU 378 Cb 1.25 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2hpt h LEU 378 CO 0.65 0.07 -0.11 0.74 0.09 0.00 0.00 178.44 179.87 2hpt h THR 379 N 0.33 0.77 -0.69 0.22 2.02 -1.94 0.23 112.91 113.85 2hpt h THR 379 Ca 0.59 -0.84 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 2hpt h THR 379 Cb 1.62 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 69.20 2hpt h THR 379 CO -0.26 0.16 0.21 0.58 0.37 0.00 0.00 175.52 176.59 2hpt h VAL 380 N -0.80 1.25 0.00 3.16 2.07 -1.76 -0.33 116.25 119.85 2hpt h VAL 380 Ca -0.03 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.62 2hpt h VAL 380 Cb 0.51 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2hpt h VAL 380 CO 0.05 0.34 0.00 -1.22 0.02 0.00 0.00 177.57 176.76 2hpt n TYR 381 N -4.26 0.00 -0.04 1.57 4.02 0.03 -3.40 117.16 115.07 2hpt n TYR 381 Ca 0.06 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.81 2hpt n TYR 381 Cb 0.22 -0.33 -0.08 0.00 -0.02 0.00 0.00 39.34 39.13 2hpt n TYR 381 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2hpt h GLU 382 N 0.00 0.23 -0.48 -0.72 3.07 -1.14 0.08 114.58 115.62 2hpt h GLU 382 Ca 0.00 -0.12 -0.11 0.00 -0.50 0.00 0.00 59.36 58.62 2hpt h GLU 382 Cb 0.00 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2hpt h GLU 382 CO 0.00 0.66 -0.14 -0.22 -1.40 0.00 0.00 179.01 177.91 2hpt h LYS 383 N -0.19 0.95 -0.73 2.33 3.64 -1.16 -1.51 116.57 119.90 2hpt h LYS 383 Ca 0.01 -0.37 0.16 0.00 -1.27 0.00 0.00 60.65 59.18 2hpt h LYS 383 Cb 0.62 -0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 32.28 2hpt h LYS 383 CO 0.02 1.04 0.07 0.78 -2.27 0.00 0.00 179.45 179.10 2hpt h GLY 384 N 0.80 0.89 1.55 5.01 0.00 -0.98 0.08 103.07 110.42 2hpt h GLY 384 Ca 0.12 0.05 -0.16 0.00 0.00 0.00 0.00 47.33 47.34 2hpt h GLY 384 CO 0.05 -0.25 -0.57 0.00 0.00 0.00 0.00 176.54 175.78 2hpt h ALA 385 N 1.65 0.74 -0.81 3.60 0.00 -0.69 -1.92 119.26 121.83 2hpt h ALA 385 Ca 0.40 -0.52 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2hpt h ALA 385 Cb 0.70 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2hpt h ALA 385 CO -0.58 0.70 0.53 0.93 0.00 0.00 0.00 179.25 180.82 2hpt h GLU 386 N 0.35 0.88 -0.16 0.00 4.39 -0.19 0.85 114.58 120.71 2hpt h GLU 386 Ca 0.00 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2hpt h GLU 386 Cb 1.10 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.54 2hpt h GLU 386 CO 0.10 0.58 0.04 0.28 -1.16 0.00 0.00 179.01 178.85 2hpt h VAL 387 N 0.91 1.20 -0.66 3.13 2.07 -0.55 0.10 116.25 122.45 2hpt h VAL 387 Ca 0.34 -0.63 0.07 0.00 0.82 0.00 0.00 66.70 67.29 2hpt h VAL 387 Cb 0.19 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 2hpt h VAL 387 CO -0.12 0.19 0.36 0.40 0.02 0.00 0.00 177.57 178.42 2hpt h ILE 388 N 0.07 0.94 -0.77 4.57 1.08 -0.90 -1.89 117.51 120.61 2hpt h ILE 388 Ca 0.05 -0.22 -0.05 0.00 -0.39 0.00 0.00 64.86 64.25 2hpt h ILE 388 Cb 0.26 0.23 -0.03 0.00 -3.07 0.00 0.00 36.82 34.21 2hpt h ILE 388 CO 0.00 0.12 0.30 -0.09 -0.69 0.00 0.00 178.15 177.79 2hpt h ARG 389 N 0.65 1.15 -0.78 2.37 2.43 -0.58 -0.79 114.38 118.83 2hpt h ARG 389 Ca 0.30 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2hpt h ARG 389 Cb 0.22 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 2hpt h ARG 389 CO -0.20 0.94 0.51 0.52 -1.51 0.00 0.00 179.97 180.22 2hpt h MET 390 N 1.13 0.98 -0.08 0.20 2.86 -0.23 0.34 114.93 120.12 2hpt h MET 390 Ca 0.26 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.87 2hpt h MET 390 Cb 0.22 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 2hpt h MET 390 CO -0.02 0.65 -0.17 0.82 1.06 0.00 0.00 176.91 179.25 2hpt h ILE 391 N 1.00 0.57 -0.70 -1.22 2.04 -0.81 0.14 117.51 118.54 2hpt h ILE 391 Ca 0.30 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.25 2hpt h ILE 391 Cb -0.04 0.57 -0.07 0.00 -0.74 0.00 0.00 36.82 36.54 2hpt h ILE 391 CO -0.09 0.00 0.34 -0.74 0.00 0.00 0.00 178.15 177.66 2hpt h HIS 392 N -0.23 0.61 -0.60 1.37 2.76 -0.58 -0.04 115.15 118.45 2hpt h HIS 392 Ca 0.08 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2hpt h HIS 392 Cb 0.35 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.11 2hpt h HIS 392 CO -0.26 0.22 0.37 1.15 -1.30 0.00 0.00 177.93 178.11 2hpt h THR 393 N 0.59 1.17 -0.09 6.26 2.02 0.11 0.62 112.91 123.59 2hpt h THR 393 Ca 0.34 -0.37 -0.11 0.00 0.77 0.00 0.00 66.41 67.05 2hpt h THR 393 Cb 0.36 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 2hpt h THR 393 CO -0.27 0.17 -0.43 -0.07 0.37 0.00 0.00 175.52 175.29 2hpt h LEU 394 N 0.81 0.21 0.00 2.58 3.38 0.08 -3.32 115.31 119.04 2hpt h LEU 394 Ca 0.22 -0.09 -0.31 0.00 0.09 0.00 0.00 57.88 57.78 2hpt h LEU 394 Cb -0.04 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 2hpt h LEU 394 CO -0.04 0.62 -2.24 0.18 0.09 0.00 0.00 178.44 177.05 2hpt n LEU 395 N -4.01 0.00 0.00 1.67 4.32 -0.10 -5.05 117.00 113.83 2hpt n LEU 395 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 2hpt n LEU 395 Cb 0.49 0.42 0.00 0.00 -1.62 0.00 0.00 43.42 42.71 2hpt n LEU 395 CO 0.42 0.42 0.00 0.61 -1.22 0.00 0.00 177.39 177.62 2hpt n GLY 396 N 1.83 -2.09 0.05 -0.72 0.00 0.21 -4.26 105.19 100.21 2hpt n GLY 396 Ca -0.28 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 2hpt n GLY 396 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2hpt h GLU 397 N 0.00 -0.02 0.37 1.61 4.57 -1.96 -1.26 114.58 117.89 2hpt h GLU 397 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2hpt h GLU 397 Cb 0.00 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 2hpt h GLU 397 CO 0.00 0.08 -0.32 1.49 -1.18 0.00 0.00 179.01 179.08 2hpt h GLU 398 N -0.12 -0.68 -0.15 1.92 4.81 -1.97 0.13 114.58 118.53 2hpt h GLU 398 Ca -0.00 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 2hpt h GLU 398 Cb 0.11 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2hpt h GLU 398 CO 0.00 -0.45 -0.08 -0.91 -0.73 0.00 0.00 179.01 176.84 2hpt h ASN 399 N -0.70 0.21 -0.10 1.04 2.35 -1.73 -1.71 115.58 114.93 2hpt h ASN 399 Ca -0.03 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2hpt h ASN 399 Cb 0.62 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 2hpt h ASN 399 CO -0.03 0.33 0.05 0.15 -1.65 0.00 0.00 177.43 176.27 2hpt h PHE 400 N 0.22 0.15 -0.81 1.19 3.57 -0.47 -2.02 116.94 118.77 2hpt h PHE 400 Ca 0.05 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.56 2hpt h PHE 400 Cb 0.29 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 2hpt h PHE 400 CO 0.00 0.22 0.54 1.96 -2.23 0.00 0.00 178.31 178.80 2hpt h GLN 401 N 0.03 1.04 -0.75 1.11 1.08 -0.58 -0.63 115.11 116.41 2hpt h GLN 401 Ca 0.03 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 2hpt h GLN 401 Cb 0.13 -0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 27.28 2hpt h GLN 401 CO -0.00 0.69 0.48 0.87 -0.95 0.00 0.00 178.83 179.91 2hpt h LYS 402 N 1.07 0.91 -0.33 1.46 1.57 -1.17 -0.14 116.57 119.95 2hpt h LYS 402 Ca 0.30 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.93 2hpt h LYS 402 Cb -0.08 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 2hpt h LYS 402 CO -0.07 0.61 -0.20 0.78 -0.57 0.00 0.00 179.45 179.99 2hpt h GLY 403 N 0.94 0.67 0.89 3.86 0.00 -0.56 -0.23 103.07 108.64 2hpt h GLY 403 Ca 0.30 -0.54 0.02 0.00 0.00 0.00 0.00 47.33 47.10 2hpt h GLY 403 CO -0.10 0.49 0.15 -0.33 0.00 0.00 0.00 176.54 176.75 2hpt h MET 404 N 0.55 0.30 -0.77 4.80 2.86 -0.82 -0.74 114.93 121.11 2hpt h MET 404 Ca 0.08 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 2hpt h MET 404 Cb 0.65 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 2hpt h MET 404 CO 0.05 0.20 0.35 1.96 1.06 0.00 0.00 176.91 180.53 2hpt h GLN 405 N 0.31 1.12 -0.24 1.72 4.20 -0.67 -1.16 115.11 120.39 2hpt h GLN 405 Ca 0.12 -0.18 -0.17 0.00 0.06 0.00 0.00 58.65 58.48 2hpt h GLN 405 Cb 0.02 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.61 2hpt h GLN 405 CO -0.07 0.88 -0.53 1.25 -0.67 0.00 0.00 178.83 179.69 2hpt h LEU 406 N 1.09 0.77 -0.21 1.46 5.85 -0.99 -2.04 115.31 121.25 2hpt h LEU 406 Ca 0.26 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.62 2hpt h LEU 406 Cb 0.15 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2hpt h LEU 406 CO -0.03 1.15 -0.07 0.22 -0.34 0.00 0.00 178.44 179.38 2hpt h TYR 407 N 0.54 -0.16 -0.56 1.25 3.20 -0.68 -0.26 116.97 120.30 2hpt h TYR 407 Ca 0.02 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 2hpt h TYR 407 Cb 1.10 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.45 2hpt h TYR 407 CO 0.06 -0.11 -0.07 0.74 -1.64 0.00 0.00 178.16 177.14 2hpt h PHE 408 N -0.03 1.12 -0.47 -3.82 0.04 -1.23 -1.22 116.94 111.33 2hpt h PHE 408 Ca 0.11 -0.21 -0.05 0.00 2.80 0.00 0.00 57.97 60.62 2hpt h PHE 408 Cb 0.19 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 38.03 2hpt h PHE 408 CO -0.24 1.02 0.11 1.49 -0.60 0.00 0.00 178.31 180.10 2hpt h GLU 409 N 0.91 0.75 0.01 1.51 4.81 -1.11 0.20 114.58 121.66 2hpt h GLU 409 Ca 0.15 -0.18 -0.21 0.00 -0.13 0.00 0.00 59.36 58.99 2hpt h GLU 409 Cb 0.62 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 2hpt h GLU 409 CO 0.04 0.74 -0.93 0.00 -0.73 0.00 0.00 179.01 178.13 2hpt h ARG 410 N 0.63 0.29 -0.00 1.92 3.08 -1.05 -3.40 114.38 115.85 2hpt h ARG 410 Ca 0.15 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.88 2hpt h ARG 410 Cb 0.33 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2hpt h ARG 410 CO 0.00 1.03 -0.06 0.72 -1.07 0.00 0.00 179.97 180.59 2hpt n HIS 411 N -3.68 0.00 -1.64 3.04 8.25 -0.47 -5.02 115.22 115.70 2hpt n HIS 411 Ca -0.05 0.00 -0.49 0.00 -0.26 0.00 0.00 57.72 56.92 2hpt n HIS 411 Cb 0.83 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.89 2hpt n HIS 411 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2hpt n ASP 412 N -0.50 2.52 0.00 0.41 2.03 0.70 -1.79 116.55 119.92 2hpt n ASP 412 Ca 0.01 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.41 2hpt n ASP 412 Cb 0.05 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 2hpt n ASP 412 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2hpt n GLY 413 N 3.22 0.74 3.27 0.27 0.00 0.67 -5.00 105.19 108.36 2hpt n GLY 413 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 2hpt n GLY 413 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hpt s SER 414 N -2.58 0.12 -0.21 1.61 1.04 -0.74 -5.02 113.70 107.92 2hpt s SER 414 Ca 0.00 -1.31 -0.12 0.00 0.48 0.00 0.00 55.95 55.00 2hpt s SER 414 Cb 0.00 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.49 2hpt s SER 414 CO 0.00 -0.90 0.21 0.00 0.98 0.00 0.00 173.24 173.53 2hpt s ALA 415 N -4.13 3.62 0.49 5.32 0.00 -1.26 -2.09 121.76 123.71 2hpt s ALA 415 Ca 0.36 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.65 2hpt s ALA 415 Cb 0.06 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 2hpt s ALA 415 CO 0.12 -0.07 0.11 0.00 0.00 0.00 0.00 175.76 175.92 2hpt s ALA 416 N 0.81 3.94 0.35 0.00 0.00 -0.12 -4.29 121.76 122.45 2hpt s ALA 416 Ca 0.11 -1.14 0.09 0.00 0.00 0.00 0.00 51.96 51.02 2hpt s ALA 416 Cb -0.13 -0.16 -0.06 0.00 0.00 0.00 0.00 23.12 22.77 2hpt s ALA 416 CO 0.03 -0.14 0.01 0.95 0.00 0.00 0.00 175.76 176.61 2hpt s THR 417 N -2.79 2.53 0.20 0.00 -4.23 -1.26 -0.88 115.64 109.21 2hpt s THR 417 Ca 0.22 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.63 2hpt s THR 417 Cb 0.03 -2.80 0.15 0.00 1.34 0.00 0.00 72.50 71.21 2hpt s THR 417 CO 0.12 -0.18 1.70 0.00 -0.54 0.00 0.00 174.62 175.72 2hpt h ASP 419 N 0.22 0.65 -0.53 0.00 3.58 -1.99 -2.01 116.42 116.34 2hpt h ASP 419 Ca 0.29 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.77 2hpt h ASP 419 Cb 0.43 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 2hpt h ASP 419 CO -0.40 0.45 0.28 0.44 -2.88 0.00 0.00 179.24 177.13 2hpt h ASP 420 N 0.76 0.42 -0.19 2.28 3.32 -1.76 -1.07 116.42 120.18 2hpt h ASP 420 Ca 0.25 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 2hpt h ASP 420 Cb 0.07 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 2hpt h ASP 420 CO -0.07 0.29 0.06 0.15 -1.72 0.00 0.00 179.24 177.95 2hpt h PHE 421 N 0.55 0.29 -0.54 4.55 3.57 -1.14 -1.09 116.94 123.13 2hpt h PHE 421 Ca 0.23 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.77 2hpt h PHE 421 Cb 0.11 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 2hpt h PHE 421 CO -0.09 0.37 0.23 0.28 -2.23 0.00 0.00 178.31 176.87 2hpt h VAL 422 N 0.13 0.86 -0.17 1.41 2.07 -1.28 -2.15 116.25 117.12 2hpt h VAL 422 Ca 0.06 -0.15 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 2hpt h VAL 422 Cb 0.21 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2hpt h VAL 422 CO -0.00 0.08 -0.30 -0.61 0.02 0.00 0.00 177.57 176.75 2hpt h GLN 423 N 0.43 0.33 -0.75 1.57 5.75 -0.99 0.10 115.11 121.54 2hpt h GLN 423 Ca 0.26 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.59 2hpt h GLN 423 Cb 0.25 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.75 2hpt h GLN 423 CO -0.23 0.60 0.32 0.00 -2.65 0.00 0.00 178.83 176.87 2hpt h ALA 424 N 1.40 1.14 -0.33 3.38 0.00 -0.91 0.38 119.26 124.32 2hpt h ALA 424 Ca 0.04 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 2hpt h ALA 424 Cb 0.69 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2hpt h ALA 424 CO 0.05 0.62 -0.39 0.52 0.00 0.00 0.00 179.25 180.05 2hpt h MET 425 N 1.08 0.86 -0.09 0.00 2.86 -0.92 -2.20 114.93 116.52 2hpt h MET 425 Ca 0.25 -0.48 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 2hpt h MET 425 Cb 0.18 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 2hpt h MET 425 CO -0.02 1.12 -0.01 1.49 1.06 0.00 0.00 176.91 180.54 2hpt h GLU 426 N 0.64 0.16 -0.32 1.72 4.81 -0.86 -2.52 114.58 118.22 2hpt h GLU 426 Ca 0.04 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 2hpt h GLU 426 Cb 0.99 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 2hpt h GLU 426 CO 0.09 0.45 -0.27 -0.44 -0.73 0.00 0.00 179.01 178.11 2hpt h ASP 427 N -0.15 0.67 0.63 1.04 3.32 -0.96 0.51 116.42 121.49 2hpt h ASP 427 Ca 0.02 -0.25 -0.13 0.00 0.02 0.00 0.00 57.03 56.69 2hpt h ASP 427 Cb 0.39 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 2hpt h ASP 427 CO 0.01 0.91 -0.63 0.00 -1.72 0.00 0.00 179.24 177.81 2hpt h ALA 428 N 1.13 0.96 0.00 3.45 0.00 -1.41 -3.33 119.26 120.07 2hpt h ALA 428 Ca 0.07 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 2hpt h ALA 428 Cb 0.76 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2hpt h ALA 428 CO 0.06 0.78 -1.92 -1.13 0.00 0.00 0.00 179.25 177.04 2hpt n SER 429 N -3.79 0.74 -1.05 0.00 3.41 -0.95 -4.85 113.62 107.13 2hpt n SER 429 Ca -0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.46 2hpt n SER 429 Cb 0.62 1.67 -0.06 0.00 -0.26 0.00 0.00 64.21 66.19 2hpt n SER 429 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2hpt n ASN 430 N -2.24 -5.67 -4.70 4.04 4.13 0.16 -4.98 115.26 105.99 2hpt n ASN 430 Ca -0.08 0.34 -0.40 0.00 1.68 0.00 0.00 54.58 56.12 2hpt n ASN 430 Cb 0.60 -4.38 -0.05 0.00 -1.54 0.00 0.00 39.78 34.42 2hpt n ASN 430 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2hpt s VAL 431 N -2.17 5.00 -0.25 2.41 1.01 -1.24 -5.03 120.40 120.13 2hpt s VAL 431 Ca 0.00 1.49 -0.29 0.00 0.00 0.00 0.00 61.98 63.18 2hpt s VAL 431 Cb 0.00 -4.06 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 2hpt s VAL 431 CO 0.00 0.19 1.25 -0.62 0.00 0.00 0.00 175.10 175.93 2hpt s ASP 432 N 0.91 6.81 -0.13 3.32 2.15 -1.26 -4.54 116.67 123.93 2hpt s ASP 432 Ca 0.38 1.37 0.15 0.00 0.43 0.00 0.00 52.55 54.88 2hpt s ASP 432 Cb -0.17 -2.54 0.41 0.00 -0.30 0.00 0.00 42.92 40.31 2hpt s ASP 432 CO 0.17 -0.93 1.31 0.18 -0.17 0.00 0.00 175.17 175.73 2hpt n LEU 433 N 7.14 3.27 -0.11 -1.34 4.77 -1.26 -4.69 117.00 124.78 2hpt n LEU 433 Ca 0.14 -2.83 -0.10 0.00 -0.03 0.00 0.00 56.01 53.19 2hpt n LEU 433 Cb 0.46 -0.44 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 2hpt n LEU 433 CO 0.60 0.68 0.64 0.77 -1.33 0.00 0.00 177.39 178.74 2hpt h SER 434 N 1.30 0.89 -0.19 -1.43 4.64 -1.99 -1.85 113.55 114.92 2hpt h SER 434 Ca 0.00 -0.36 -0.07 0.00 -0.47 0.00 0.00 61.79 60.89 2hpt h SER 434 Cb 1.18 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2hpt h SER 434 CO 0.13 1.11 -0.14 -0.74 -0.87 0.00 0.00 176.83 176.32 2hpt h HIS 435 N 0.73 0.52 -1.05 4.77 -0.00 -2.02 -3.20 115.15 114.90 2hpt h HIS 435 Ca 0.08 -0.14 0.27 0.00 -0.00 0.00 0.00 60.37 60.58 2hpt h HIS 435 Cb 0.84 -0.11 -0.09 0.00 -0.00 0.00 0.00 27.41 28.04 2hpt h HIS 435 CO 0.05 0.77 0.68 0.35 -0.00 0.00 0.00 177.93 179.77 2hpt h PHE 436 N 0.11 0.64 -0.07 5.26 3.57 -1.81 -0.81 116.94 123.83 2hpt h PHE 436 Ca 0.04 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.58 2hpt h PHE 436 Cb 0.66 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 2hpt h PHE 436 CO 0.07 0.05 0.34 0.00 -2.23 0.00 0.00 178.31 176.55 2hpt h ARG 437 N 0.38 0.00 -0.10 1.11 3.08 -1.33 -1.73 114.38 115.78 2hpt h ARG 437 Ca 0.60 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.68 2hpt h ARG 437 Cb 1.55 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.60 2hpt h ARG 437 CO -0.29 0.00 0.08 -0.09 -1.07 0.00 0.00 179.97 178.59 2hpt h ARG 438 N 0.00 0.00 -0.16 0.04 2.43 -1.34 -1.14 114.38 114.21 2hpt h ARG 438 Ca 0.03 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 2hpt h ARG 438 Cb 0.72 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 2hpt h ARG 438 CO -0.00 0.00 0.15 -1.49 -1.51 0.00 0.00 179.97 177.12 2hpt h TRP 439 N 0.00 0.00 0.00 2.20 4.06 -1.54 -1.76 115.95 118.91 2hpt h TRP 439 Ca 0.05 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.92 2hpt h TRP 439 Cb 0.20 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.35 2hpt h TRP 439 CO 0.00 0.00 -0.36 1.88 -3.56 0.00 0.00 178.44 176.40 2hpt h TYR 440 N 0.00 0.00 -0.00 0.49 0.05 -1.41 -3.37 116.97 112.72 2hpt h TYR 440 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 2hpt h TYR 440 Cb 0.38 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.12 2hpt h TYR 440 CO 0.00 0.36 -0.13 -1.13 -1.05 0.00 0.00 178.16 176.21 2hpt n SER 441 N -3.42 0.67 -4.38 3.88 3.41 -0.79 -2.52 113.62 110.47 2hpt n SER 441 Ca 0.00 -0.84 -0.33 0.00 -0.26 0.00 0.00 58.87 57.45 2hpt n SER 441 Cb 0.54 0.62 -0.14 0.00 -0.26 0.00 0.00 64.21 64.97 2hpt n SER 441 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2hpt s GLN 442 N -1.04 3.41 0.71 4.33 0.74 -0.73 -4.78 119.66 122.31 2hpt s GLN 442 Ca 0.03 -0.66 0.02 0.00 0.05 0.00 0.00 55.36 54.80 2hpt s GLN 442 Cb 0.04 -2.68 0.14 0.00 1.10 0.00 0.00 33.01 31.60 2hpt s GLN 442 CO 0.14 0.19 0.98 -1.54 -0.55 0.00 0.00 175.29 174.51 2hpt s SER 443 N 0.42 4.38 0.00 6.67 1.04 -1.26 -4.61 113.70 120.34 2hpt s SER 443 Ca -0.09 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.73 2hpt s SER 443 Cb -0.16 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2hpt s SER 443 CO 0.05 -1.86 0.00 0.61 0.98 0.00 0.00 173.24 173.02 2hpt n GLY 444 N -2.76 -1.90 3.66 7.32 0.00 -1.26 -4.93 105.19 105.32 2hpt n GLY 444 Ca 0.17 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.31 2hpt n GLY 444 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hpt s THR 445 N -3.10 5.25 0.52 2.61 2.01 -1.26 -5.04 115.64 116.62 2hpt s THR 445 Ca 0.00 0.51 -0.21 0.00 0.31 0.00 0.00 61.69 62.30 2hpt s THR 445 Cb 0.00 -3.65 -0.06 0.00 0.01 0.00 0.00 72.50 68.80 2hpt s THR 445 CO 0.00 0.27 1.18 -2.84 -0.69 0.00 0.00 174.62 172.54 2hpt s PRO 446 N 1.34 3.42 -0.24 4.92 0.02 -1.26 -4.49 135.00 138.71 2hpt s PRO 446 Ca 0.15 1.78 -0.05 0.00 0.02 0.00 0.00 61.00 62.90 2hpt s PRO 446 Cb -0.14 -2.17 -0.00 0.00 0.02 0.00 0.00 34.50 32.20 2hpt s PRO 446 CO 0.07 -0.83 -0.01 0.42 -0.33 0.00 0.00 177.00 176.32 2hpt s ILE 447 N -1.60 3.53 -0.30 2.83 1.01 0.48 -0.81 121.20 126.35 2hpt s ILE 447 Ca 0.70 -0.56 -0.09 0.00 0.00 0.00 0.00 60.65 60.70 2hpt s ILE 447 Cb -0.29 -2.68 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 2hpt s ILE 447 CO 0.33 0.32 0.14 -0.69 0.00 0.00 0.00 174.94 175.05 2hpt s VAL 448 N 1.48 4.61 -0.21 2.92 1.01 0.13 -1.78 120.40 128.56 2hpt s VAL 448 Ca 0.05 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 2hpt s VAL 448 Cb -0.15 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2hpt s VAL 448 CO -0.02 0.12 0.10 -0.89 0.00 0.00 0.00 175.10 174.41 2hpt s THR 449 N 1.62 4.94 -0.14 3.92 2.01 -0.25 -0.39 115.64 127.35 2hpt s THR 449 Ca 0.05 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.09 2hpt s THR 449 Cb -0.17 -3.27 -0.00 0.00 0.01 0.00 0.00 72.50 69.07 2hpt s THR 449 CO 0.06 0.40 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.52 2hpt s VAL 450 N 0.81 2.52 -0.03 3.82 1.01 0.22 -1.37 120.40 127.37 2hpt s VAL 450 Ca 0.05 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.26 2hpt s VAL 450 Cb -0.13 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 2hpt s VAL 450 CO 0.02 0.53 -0.22 -0.54 0.00 0.00 0.00 175.10 174.90 2hpt s LYS 451 N 0.62 2.24 0.22 2.72 1.02 -0.58 -4.56 119.74 121.41 2hpt s LYS 451 Ca -0.10 -0.86 0.07 0.00 0.02 0.00 0.00 55.97 55.11 2hpt s LYS 451 Cb -0.16 -2.16 -0.05 0.00 -0.52 0.00 0.00 37.83 34.94 2hpt s LYS 451 CO 0.03 0.58 -0.11 0.16 -0.92 0.00 0.00 175.35 175.09 2hpt s ASP 452 N -0.70 2.46 -0.10 2.83 -4.77 -1.26 0.04 116.67 115.17 2hpt s ASP 452 Ca 0.11 -1.07 -0.07 0.00 -3.30 0.00 0.00 52.55 48.22 2hpt s ASP 452 Cb -0.10 -0.12 0.04 0.00 -1.09 0.00 0.00 42.92 41.65 2hpt s ASP 452 CO -0.00 -0.25 0.26 -0.62 0.70 0.00 0.00 175.17 175.25 2hpt s ASP 453 N -3.32 -0.27 -0.17 2.11 2.15 0.34 -4.98 116.67 112.52 2hpt s ASP 453 Ca 0.24 0.53 -0.03 0.00 0.43 0.00 0.00 52.55 53.72 2hpt s ASP 453 Cb 0.01 0.47 -0.02 0.00 -0.30 0.00 0.00 42.92 43.08 2hpt s ASP 453 CO 0.07 -0.13 -0.06 -0.47 -0.17 0.00 0.00 175.17 174.41 2hpt s TYR 454 N 0.77 2.95 -0.47 -5.34 5.04 -1.26 -0.49 117.35 118.55 2hpt s TYR 454 Ca -0.05 -0.55 -0.10 0.00 -2.44 0.00 0.00 57.07 53.93 2hpt s TYR 454 Cb -0.06 -1.97 0.12 0.00 0.35 0.00 0.00 41.96 40.39 2hpt s TYR 454 CO -0.05 -0.22 0.35 1.21 -1.34 0.00 0.00 175.55 175.50 2hpt s ASN 455 N 0.67 5.74 0.43 4.32 3.84 0.45 -4.96 114.94 125.43 2hpt s ASN 455 Ca -0.03 -1.85 0.10 0.00 0.21 0.00 0.00 52.86 51.28 2hpt s ASN 455 Cb -0.15 -2.02 0.93 0.00 -0.55 0.00 0.00 41.25 39.46 2hpt s ASN 455 CO 0.02 -0.69 2.03 1.55 -2.79 0.00 0.00 177.10 177.23 2hpt h PRO 456 N 8.48 0.33 -0.26 0.43 0.13 -1.97 0.15 132.00 139.29 2hpt h PRO 456 Ca -0.22 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.77 2hpt h PRO 456 Cb 1.08 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 2hpt h PRO 456 CO 0.86 0.28 -0.27 1.49 -0.23 0.00 0.00 178.00 180.13 2hpt h GLU 457 N 0.33 0.51 -0.01 0.86 4.81 -1.97 -3.24 114.58 115.87 2hpt h GLU 457 Ca 0.08 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2hpt h GLU 457 Cb 0.09 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2hpt h GLU 457 CO -0.01 0.74 -0.24 0.25 -0.73 0.00 0.00 179.01 179.02 2hpt n THR 458 N -4.10 0.00 -3.89 0.32 -2.24 -0.94 -5.00 114.28 98.43 2hpt n THR 458 Ca -0.01 -0.38 -0.28 0.00 -2.27 0.00 0.00 64.05 61.11 2hpt n THR 458 Cb 0.42 1.16 0.02 0.00 -2.10 0.00 0.00 70.33 69.83 2hpt n THR 458 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2hpt n GLU 459 N -0.13 -5.14 -4.97 -0.78 1.02 0.47 -4.65 120.64 106.47 2hpt n GLU 459 Ca 0.05 0.58 -0.32 0.00 -0.02 0.00 0.00 57.16 57.45 2hpt n GLU 459 Cb 0.27 -5.35 -0.14 0.00 -0.02 0.00 0.00 31.44 26.20 2hpt n GLU 459 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2hpt s GLN 460 N -6.50 2.67 -0.14 3.49 -0.21 -1.15 -0.70 119.66 117.11 2hpt s GLN 460 Ca 0.49 -0.75 -0.03 0.00 0.02 0.00 0.00 55.36 55.09 2hpt s GLN 460 Cb -0.25 -2.37 -0.03 0.00 1.00 0.00 0.00 33.01 31.37 2hpt s GLN 460 CO 0.84 0.49 -0.04 -0.47 -2.12 0.00 0.00 175.29 173.98 2hpt s TYR 461 N -0.39 3.01 -0.14 0.91 5.04 -0.47 -0.41 117.35 124.91 2hpt s TYR 461 Ca 0.04 -0.26 0.02 0.00 -2.44 0.00 0.00 57.07 54.43 2hpt s TYR 461 Cb -0.12 -1.92 0.01 0.00 0.35 0.00 0.00 41.96 40.28 2hpt s TYR 461 CO 0.02 0.01 -0.21 0.99 -1.34 0.00 0.00 175.55 175.03 2hpt s THR 462 N 0.20 1.96 -0.22 4.34 2.01 0.36 -0.87 115.64 123.42 2hpt s THR 462 Ca -0.02 -0.92 -0.07 0.00 0.31 0.00 0.00 61.69 60.98 2hpt s THR 462 Cb -0.14 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 2hpt s THR 462 CO 0.03 0.53 0.07 -0.76 -0.69 0.00 0.00 174.62 173.80 2hpt s LEU 463 N 0.89 3.64 -0.39 4.42 1.43 -0.08 -0.51 118.68 128.09 2hpt s LEU 463 Ca -0.06 -0.06 -0.10 0.00 -1.03 0.00 0.00 54.13 52.88 2hpt s LEU 463 Cb -0.15 -1.95 0.05 0.00 0.03 0.00 0.00 46.19 44.17 2hpt s LEU 463 CO -0.03 0.07 0.23 -0.89 0.23 0.00 0.00 176.35 175.96 2hpt s THR 464 N 0.99 4.44 -0.16 5.49 2.01 0.11 0.04 115.64 128.56 2hpt s THR 464 Ca 0.04 -1.07 -0.05 0.00 0.31 0.00 0.00 61.69 60.93 2hpt s THR 464 Cb -0.14 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2hpt s THR 464 CO 0.03 -0.34 -0.01 -0.63 -0.69 0.00 0.00 174.62 172.98 2hpt s ILE 465 N 1.51 4.13 0.28 1.82 1.01 0.18 -1.52 121.20 128.61 2hpt s ILE 465 Ca 0.02 -0.27 0.07 0.00 0.00 0.00 0.00 60.65 60.47 2hpt s ILE 465 Cb -0.21 -2.83 -0.06 0.00 0.01 0.00 0.00 42.46 39.38 2hpt s ILE 465 CO 0.05 0.49 -0.07 -0.94 0.00 0.00 0.00 174.94 174.47 2hpt s SER 466 N 0.34 2.88 0.01 3.58 1.04 -0.47 -1.41 113.70 119.67 2hpt s SER 466 Ca -0.02 -1.18 -0.01 0.00 0.48 0.00 0.00 55.95 55.21 2hpt s SER 466 Cb -0.14 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 65.79 2hpt s SER 466 CO 0.02 -0.31 0.02 0.00 0.98 0.00 0.00 173.24 173.95 2hpt s GLN 467 N -3.71 0.23 -0.10 4.02 -2.07 -0.12 -1.09 119.66 116.82 2hpt s GLN 467 Ca 0.30 -0.33 -0.08 0.00 -1.82 0.00 0.00 55.36 53.43 2hpt s GLN 467 Cb 0.03 0.09 0.03 0.00 -1.09 0.00 0.00 33.01 32.07 2hpt s GLN 467 CO 0.12 -0.04 0.26 -0.98 -1.32 0.00 0.00 175.29 173.33 2hpt s ARG 468 N -0.88 0.28 -0.23 9.60 1.70 -0.74 -4.71 118.95 123.98 2hpt s ARG 468 Ca -0.10 0.41 -0.04 0.00 -0.47 0.00 0.00 55.73 55.54 2hpt s ARG 468 Cb -0.06 0.07 -0.00 0.00 -0.57 0.00 0.00 34.95 34.39 2hpt s ARG 468 CO -0.00 -0.07 -0.04 0.99 -1.08 0.00 0.00 175.30 175.09 2hpt s THR 469 N 0.45 3.29 0.60 4.99 2.01 -1.26 -0.38 115.64 125.34 2hpt s THR 469 Ca -0.03 -0.60 -0.19 0.00 0.31 0.00 0.00 61.69 61.19 2hpt s THR 469 Cb -0.04 -2.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 2hpt s THR 469 CO -0.02 0.37 1.25 -2.84 -0.69 0.00 0.00 174.62 172.69 2hpt s PRO 470 N 1.45 2.86 0.65 4.92 0.02 -1.26 -4.83 135.00 138.82 2hpt s PRO 470 Ca 0.05 1.93 -0.18 0.00 0.02 0.00 0.00 61.00 62.83 2hpt s PRO 470 Cb -0.15 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 2hpt s PRO 470 CO -0.04 -1.32 1.16 0.00 -0.33 0.00 0.00 177.00 176.48 2hpt n ALA 471 N -1.63 0.70 -2.52 -1.55 0.00 -1.26 -4.86 120.51 109.39 2hpt n ALA 471 Ca 0.14 -0.03 -0.25 0.00 0.00 0.00 0.00 53.44 53.30 2hpt n ALA 471 Cb 0.49 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.60 2hpt n ALA 471 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2hpt s THR 472 N -1.49 2.49 0.50 0.00 -4.23 -1.06 -5.02 115.64 106.83 2hpt s THR 472 Ca 0.80 -2.23 0.28 0.00 -1.18 0.00 0.00 61.69 59.36 2hpt s THR 472 Cb -0.38 -2.54 0.47 0.00 1.34 0.00 0.00 72.50 71.38 2hpt s THR 472 CO 0.43 -0.30 1.84 -0.65 -0.54 0.00 0.00 174.62 175.41 2hpt h PRO 473 N 2.08 0.13 0.00 3.99 0.11 -1.90 -2.02 132.00 134.38 2hpt h PRO 473 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2hpt h PRO 473 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2hpt h PRO 473 CO 0.65 0.09 -0.82 -0.40 -0.21 0.00 0.00 178.00 177.30 2hpt n ASP 474 N -4.35 0.63 -3.40 -2.05 5.75 -1.26 -4.82 116.55 107.06 2hpt n ASP 474 Ca 0.22 -0.24 -0.14 0.00 -0.01 0.00 0.00 54.79 54.61 2hpt n ASP 474 Cb 0.98 0.57 -0.09 0.00 -1.03 0.00 0.00 41.12 41.55 2hpt n ASP 474 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2hpt s GLN 475 N -3.12 0.31 0.37 0.11 -0.21 -0.76 -5.00 119.66 111.36 2hpt s GLN 475 Ca 0.06 0.17 0.18 0.00 0.02 0.00 0.00 55.36 55.79 2hpt s GLN 475 Cb 0.15 -0.70 0.69 0.00 1.00 0.00 0.00 33.01 34.15 2hpt s GLN 475 CO 0.77 -0.83 1.74 0.00 -2.12 0.00 0.00 175.29 174.86 2hpt h ALA 476 N 8.24 1.03 -3.07 6.09 0.00 -1.88 -2.80 119.26 126.87 2hpt h ALA 476 Ca -0.15 -0.35 -0.65 0.00 0.00 0.00 0.00 54.91 53.76 2hpt h ALA 476 Cb 1.12 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.73 2hpt h ALA 476 CO 0.30 0.48 -0.54 -2.00 0.00 0.00 0.00 179.25 177.48 2hpt s GLU 477 N -3.68 3.55 0.05 0.00 2.12 -1.26 -4.85 118.70 114.64 2hpt s GLU 477 Ca -0.00 -0.28 0.03 0.00 0.36 0.00 0.00 54.97 55.08 2hpt s GLU 477 Cb 0.11 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.37 2hpt s GLU 477 CO 0.69 0.56 -0.09 0.15 -0.54 0.00 0.00 175.26 176.03 2hpt s LYS 478 N -0.43 0.60 0.10 4.30 -0.14 -1.26 -5.01 119.74 117.89 2hpt s LYS 478 Ca 0.10 -0.83 0.02 0.00 -1.36 0.00 0.00 55.97 53.91 2hpt s LYS 478 Cb -0.12 -0.38 -0.04 0.00 -1.68 0.00 0.00 37.83 35.61 2hpt s LYS 478 CO 0.02 0.07 -0.08 -0.65 -0.76 0.00 0.00 175.35 173.95 2hpt s GLN 479 N -1.76 0.84 0.58 1.68 -0.21 -1.26 -5.02 119.66 114.51 2hpt s GLN 479 Ca -0.07 -1.28 -0.20 0.00 0.02 0.00 0.00 55.36 53.84 2hpt s GLN 479 Cb -0.09 -0.31 -0.04 0.00 1.00 0.00 0.00 33.01 33.57 2hpt s GLN 479 CO 0.00 0.01 1.26 -1.25 -2.12 0.00 0.00 175.29 173.19 2hpt s PRO 480 N -3.48 3.00 0.42 2.91 0.04 -1.26 -4.85 135.00 131.77 2hpt s PRO 480 Ca 0.10 1.97 0.08 0.00 0.04 0.00 0.00 61.00 63.18 2hpt s PRO 480 Cb 0.02 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 2hpt s PRO 480 CO -0.03 -1.22 0.39 -0.51 0.04 0.00 0.00 177.00 175.67 2hpt s LEU 481 N -3.91 3.39 -0.56 -3.56 1.43 -1.26 -5.00 118.68 109.21 2hpt s LEU 481 Ca 0.76 -0.74 -0.20 0.00 -1.03 0.00 0.00 54.13 52.93 2hpt s LEU 481 Cb -0.34 -2.07 0.08 0.00 0.03 0.00 0.00 46.19 43.89 2hpt s LEU 481 CO 0.38 -0.68 0.71 -2.28 0.23 0.00 0.00 176.35 174.71 2hpt s HIS 482 N -2.47 2.98 -0.34 0.29 5.65 -1.26 -4.15 115.29 115.98 2hpt s HIS 482 Ca 0.48 -0.72 -0.06 0.00 0.25 0.00 0.00 55.06 55.01 2hpt s HIS 482 Cb -0.04 -3.86 0.05 0.00 -1.18 0.00 0.00 32.58 27.55 2hpt s HIS 482 CO 0.28 -1.23 0.10 0.42 -0.65 0.00 0.00 174.74 173.66 2hpt s ILE 483 N 2.85 3.64 -0.16 0.89 1.01 0.50 -4.88 121.20 125.04 2hpt s ILE 483 Ca 0.15 -1.24 -0.29 0.00 0.00 0.00 0.00 60.65 59.26 2hpt s ILE 483 Cb -0.21 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.14 2hpt s ILE 483 CO 0.09 -0.21 1.29 -2.84 0.00 0.00 0.00 174.94 173.27 2hpt s PRO 484 N 1.36 4.22 -0.42 2.79 0.02 -1.26 -0.89 135.00 140.82 2hpt s PRO 484 Ca -0.01 1.69 0.03 0.00 0.02 0.00 0.00 61.00 62.73 2hpt s PRO 484 Cb -0.20 -3.79 0.12 0.00 0.02 0.00 0.00 34.50 30.65 2hpt s PRO 484 CO 0.02 -0.73 0.16 0.12 -0.33 0.00 0.00 177.00 176.24 2hpt s PHE 485 N 3.57 3.20 0.05 6.54 5.36 0.76 -3.79 117.98 133.68 2hpt s PHE 485 Ca 0.56 -2.94 -0.30 0.00 -0.96 0.00 0.00 56.93 53.29 2hpt s PHE 485 Cb -0.22 -2.70 -0.04 0.00 -0.34 0.00 0.00 43.02 39.71 2hpt s PHE 485 CO 0.16 -0.84 0.98 0.00 -1.46 0.00 0.00 175.22 174.06 2hpt s ALA 486 N 0.38 3.21 0.21 11.12 0.00 -1.26 -1.11 121.76 134.30 2hpt s ALA 486 Ca 0.14 0.57 0.08 0.00 0.00 0.00 0.00 51.96 52.75 2hpt s ALA 486 Cb -0.22 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.53 2hpt s ALA 486 CO -0.05 -0.14 -0.15 0.96 0.00 0.00 0.00 175.76 176.37 2hpt s ILE 487 N 0.54 1.82 0.01 0.00 -4.36 -0.50 -0.51 121.20 118.20 2hpt s ILE 487 Ca 0.50 -2.20 0.00 0.00 -0.26 0.00 0.00 60.65 58.69 2hpt s ILE 487 Cb -0.22 -2.04 -0.01 0.00 1.25 0.00 0.00 42.46 41.43 2hpt s ILE 487 CO 0.29 -0.55 -0.02 -1.61 0.24 0.00 0.00 174.94 173.29 2hpt s GLU 488 N -3.53 0.23 -0.11 0.37 2.02 -0.56 -4.80 118.70 112.33 2hpt s GLU 488 Ca 0.22 -0.45 0.03 0.00 0.02 0.00 0.00 54.97 54.80 2hpt s GLU 488 Cb -0.02 0.06 -0.00 0.00 0.10 0.00 0.00 34.13 34.27 2hpt s GLU 488 CO 0.08 -0.03 -0.21 -0.51 0.02 0.00 0.00 175.26 174.60 2hpt s LEU 489 N -1.06 2.26 -0.10 1.80 1.43 -1.26 -0.02 118.68 121.74 2hpt s LEU 489 Ca -0.11 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 2hpt s LEU 489 Cb -0.07 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 2hpt s LEU 489 CO -0.01 0.17 -0.09 -0.31 0.23 0.00 0.00 176.35 176.34 2hpt s TYR 490 N 0.32 2.88 0.33 0.29 2.02 0.21 -0.86 117.35 122.53 2hpt s TYR 490 Ca -0.16 -0.24 -0.04 0.00 -0.37 0.00 0.00 57.07 56.26 2hpt s TYR 490 Cb -0.17 -1.78 0.07 0.00 -0.40 0.00 0.00 41.96 39.68 2hpt s TYR 490 CO 0.08 0.10 0.45 -0.40 -1.57 0.00 0.00 175.55 174.20 2hpt n ASP 491 N 2.82 0.17 0.10 2.29 5.68 -0.09 -1.10 116.55 126.42 2hpt n ASP 491 Ca -0.18 -1.25 0.11 0.00 -0.50 0.00 0.00 54.79 52.98 2hpt n ASP 491 Cb 0.53 -0.33 0.45 0.00 -1.14 0.00 0.00 41.12 40.63 2hpt n ASP 491 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2hpt n ASN 492 N -3.21 0.52 -0.42 -1.12 6.94 -1.26 -1.89 115.26 114.81 2hpt n ASN 492 Ca 0.06 0.63 0.12 0.00 -0.02 0.00 0.00 54.58 55.37 2hpt n ASN 492 Cb 0.21 -0.74 0.13 0.00 -2.36 0.00 0.00 39.78 37.02 2hpt n ASN 492 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2hpt n GLU 493 N -2.07 1.11 -0.93 -3.83 -0.58 -1.26 -4.95 120.64 108.13 2hpt n GLU 493 Ca 0.02 -0.85 0.00 0.00 -0.42 0.00 0.00 57.16 55.91 2hpt n GLU 493 Cb 0.21 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 2hpt n GLU 493 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hpt n GLY 494 N 1.39 0.42 3.90 0.62 0.00 -0.79 -5.07 105.19 105.66 2hpt n GLY 494 Ca 0.10 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 2hpt n GLY 494 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hpt s LYS 495 N -1.82 3.61 -0.04 1.61 1.02 -1.26 -4.85 119.74 118.01 2hpt s LYS 495 Ca 0.00 -0.11 -0.26 0.00 0.02 0.00 0.00 55.97 55.63 2hpt s LYS 495 Cb 0.00 -2.84 -0.03 0.00 -0.52 0.00 0.00 37.83 34.43 2hpt s LYS 495 CO 0.00 0.46 0.80 0.08 -0.92 0.00 0.00 175.35 175.77 2hpt s VAL 496 N -1.68 4.97 -0.20 3.17 1.01 -1.26 -0.91 120.40 125.50 2hpt s VAL 496 Ca 0.41 1.66 -0.24 0.00 0.00 0.00 0.00 61.98 63.81 2hpt s VAL 496 Cb -0.12 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.11 2hpt s VAL 496 CO 0.25 0.22 0.80 -0.63 0.00 0.00 0.00 175.10 175.75 2hpt s ILE 497 N 0.84 4.89 0.11 2.22 1.01 -0.04 -4.92 121.20 125.30 2hpt s ILE 497 Ca 0.43 1.55 -0.34 0.00 0.00 0.00 0.00 60.65 62.28 2hpt s ILE 497 Cb -0.19 -4.10 -0.14 0.00 0.01 0.00 0.00 42.46 38.04 2hpt s ILE 497 CO 0.22 0.01 1.60 -2.65 0.00 0.00 0.00 174.94 174.12 2hpt n PRO 498 N 5.44 2.05 -2.81 2.79 -0.02 -1.26 -4.58 135.00 136.61 2hpt n PRO 498 Ca 0.04 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 2hpt n PRO 498 Cb 0.48 -2.51 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 2hpt n PRO 498 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2hpt s LEU 499 N 1.38 4.39 -0.02 2.45 1.43 -1.26 -4.92 118.68 122.13 2hpt s LEU 499 Ca 0.82 1.56 -0.29 0.00 -1.03 0.00 0.00 54.13 55.19 2hpt s LEU 499 Cb -0.71 -3.44 0.10 0.00 0.03 0.00 0.00 46.19 42.17 2hpt s LEU 499 CO 0.41 -0.17 0.89 0.00 0.23 0.00 0.00 176.35 177.71 2hpt s GLN 500 N 0.71 0.81 -0.14 1.70 -2.07 -1.26 -2.02 119.66 117.39 2hpt s GLN 500 Ca 0.47 -0.24 -0.10 0.00 -1.82 0.00 0.00 55.36 53.67 2hpt s GLN 500 Cb -0.21 0.37 0.04 0.00 -1.09 0.00 0.00 33.01 32.13 2hpt s GLN 500 CO 0.26 -0.34 0.34 0.21 -1.32 0.00 0.00 175.29 174.44 2hpt s LYS 501 N -2.88 0.36 -1.50 9.60 2.20 -0.35 -0.71 119.74 126.46 2hpt s LYS 501 Ca 0.04 0.59 -0.14 0.00 -0.36 0.00 0.00 55.97 56.09 2hpt s LYS 501 Cb -0.01 0.06 0.11 0.00 -1.51 0.00 0.00 37.83 36.48 2hpt s LYS 501 CO -0.08 -0.11 0.70 0.41 -0.36 0.00 0.00 175.35 175.91 2hpt n GLY 502 N 3.61 -0.47 1.85 5.54 0.00 -1.26 -1.87 105.19 112.59 2hpt n GLY 502 Ca -0.19 0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2hpt n GLY 502 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hpt n GLY 503 N -1.33 0.79 3.24 -0.02 0.00 -1.26 -5.05 105.19 101.55 2hpt n GLY 503 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2hpt n GLY 503 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hpt s HIS 504 N -2.99 2.01 0.80 1.61 3.76 -0.78 -5.13 115.29 114.57 2hpt s HIS 504 Ca 0.00 -0.42 -0.14 0.00 -0.15 0.00 0.00 55.06 54.35 2hpt s HIS 504 Cb 0.00 -1.30 0.06 0.00 1.11 0.00 0.00 32.58 32.45 2hpt s HIS 504 CO 0.00 -0.06 1.06 -2.30 -0.85 0.00 0.00 174.74 172.58 2hpt n PRO 505 N 2.63 0.20 -4.67 8.40 -0.02 -1.26 -1.21 135.00 139.06 2hpt n PRO 505 Ca -0.16 0.14 -0.24 0.00 -2.02 0.00 0.00 63.50 61.22 2hpt n PRO 505 Cb 0.52 -2.32 -0.16 0.00 -0.02 0.00 0.00 33.50 31.53 2hpt n PRO 505 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2hpt s VAL 506 N -2.08 1.18 0.26 -1.45 1.01 -0.85 -4.74 120.40 113.72 2hpt s VAL 506 Ca 0.72 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 2hpt s VAL 506 Cb -0.30 -1.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.98 2hpt s VAL 506 CO 0.53 0.34 1.33 0.21 0.00 0.00 0.00 175.10 177.51 2hpt s ASN 507 N -0.05 6.81 0.24 3.32 3.84 -1.26 -4.73 114.94 123.11 2hpt s ASN 507 Ca -0.00 2.56 0.25 0.00 0.21 0.00 0.00 52.86 55.88 2hpt s ASN 507 Cb -0.09 -2.63 0.89 0.00 -0.55 0.00 0.00 41.25 38.87 2hpt s ASN 507 CO 0.01 -0.56 1.75 -1.54 -2.79 0.00 0.00 177.10 173.97 2hpt n SER 508 N 1.87 0.77 -4.49 -4.21 3.41 -1.26 -4.38 113.62 105.32 2hpt n SER 508 Ca 0.04 0.62 -0.42 0.00 -0.26 0.00 0.00 58.87 58.84 2hpt n SER 508 Cb 0.42 -0.81 -0.04 0.00 -0.26 0.00 0.00 64.21 63.52 2hpt n SER 508 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2hpt s VAL 509 N -3.20 4.14 0.23 -3.33 1.01 -1.26 -1.41 120.40 116.58 2hpt s VAL 509 Ca 0.08 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 2hpt s VAL 509 Cb 0.11 -4.74 -0.09 0.00 0.00 0.00 0.00 36.38 31.66 2hpt s VAL 509 CO 0.51 -1.54 0.81 -0.76 0.00 0.00 0.00 175.10 174.13 2hpt s LEU 510 N 4.59 4.44 -0.79 3.92 1.43 -0.27 -4.77 118.68 127.23 2hpt s LEU 510 Ca 0.28 1.64 -0.19 0.00 -1.03 0.00 0.00 54.13 54.82 2hpt s LEU 510 Cb -0.13 -3.62 0.12 0.00 0.03 0.00 0.00 46.19 42.59 2hpt s LEU 510 CO 0.13 0.07 0.96 0.20 0.23 0.00 0.00 176.35 177.94 2hpt s ASN 511 N -1.46 6.45 -0.81 2.29 0.01 -1.26 -0.17 114.94 119.98 2hpt s ASN 511 Ca 0.43 -1.75 -0.21 0.00 -0.71 0.00 0.00 52.86 50.61 2hpt s ASN 511 Cb -0.20 -2.36 0.09 0.00 0.41 0.00 0.00 41.25 39.19 2hpt s ASN 511 CO 0.24 -1.11 1.11 -0.69 -1.51 0.00 0.00 177.10 175.15 2hpt s VAL 512 N 2.72 4.38 -0.33 1.60 1.01 -0.07 -4.80 120.40 124.90 2hpt s VAL 512 Ca 0.24 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.46 2hpt s VAL 512 Cb -0.12 -4.79 -0.05 0.00 0.00 0.00 0.00 36.38 31.42 2hpt s VAL 512 CO -0.02 -1.57 0.30 0.35 0.00 0.00 0.00 175.10 174.16 2hpt n THR 513 N 5.92 0.00 -3.95 3.92 -2.24 -1.26 -0.37 114.28 116.29 2hpt n THR 513 Ca 0.12 -0.38 -0.22 0.00 -2.27 0.00 0.00 64.05 61.30 2hpt n THR 513 Cb 0.48 1.02 -0.05 0.00 -2.10 0.00 0.00 70.33 69.68 2hpt n THR 513 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2hpt s GLN 514 N -1.42 2.58 0.25 -0.78 -1.52 -1.26 -4.62 119.66 112.88 2hpt s GLN 514 Ca 0.03 -1.39 -0.04 0.00 -1.95 0.00 0.00 55.36 52.01 2hpt s GLN 514 Cb 0.04 -2.35 0.44 0.00 -0.22 0.00 0.00 33.01 30.93 2hpt s GLN 514 CO 0.21 0.12 1.76 0.00 -0.25 0.00 0.00 175.29 177.14 2hpt h ALA 515 N 1.40 1.13 -3.25 6.09 0.00 -1.92 -3.39 119.26 119.31 2hpt h ALA 515 Ca -0.44 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.36 2hpt h ALA 515 Cb 1.25 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.78 2hpt h ALA 515 CO 0.60 -0.09 -0.52 -2.00 0.00 0.00 0.00 179.25 177.25 2hpt s GLU 516 N -6.01 0.24 -0.08 0.00 2.12 -1.26 -0.94 118.70 112.76 2hpt s GLU 516 Ca -0.12 0.15 -0.30 0.00 0.36 0.00 0.00 54.97 55.05 2hpt s GLU 516 Cb 0.20 0.11 0.07 0.00 0.26 0.00 0.00 34.13 34.78 2hpt s GLU 516 CO 0.77 -0.04 0.71 -1.14 -0.54 0.00 0.00 175.26 175.02 2hpt s GLN 517 N -0.11 1.00 -0.08 4.30 0.74 -0.50 -5.01 119.66 120.02 2hpt s GLN 517 Ca -0.02 0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.72 2hpt s GLN 517 Cb -0.02 0.48 -0.03 0.00 1.10 0.00 0.00 33.01 34.54 2hpt s GLN 517 CO 0.00 -0.30 -0.06 0.99 -0.55 0.00 0.00 175.29 175.37 2hpt s THR 518 N -1.03 3.74 -0.12 -0.34 2.01 -1.26 -0.64 115.64 117.99 2hpt s THR 518 Ca -0.09 -0.46 0.02 0.00 0.31 0.00 0.00 61.69 61.46 2hpt s THR 518 Cb -0.01 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 69.98 2hpt s THR 518 CO 0.09 0.59 -0.17 -0.36 -0.69 0.00 0.00 174.62 174.07 2hpt s PHE 519 N -0.71 2.21 -0.15 4.92 0.08 0.11 -4.98 117.98 119.46 2hpt s PHE 519 Ca 0.11 -1.09 -0.03 0.00 0.12 0.00 0.00 56.93 56.04 2hpt s PHE 519 Cb -0.11 -1.56 -0.02 0.00 -0.57 0.00 0.00 43.02 40.75 2hpt s PHE 519 CO 0.02 -0.54 -0.06 0.08 -0.10 0.00 0.00 175.22 174.62 2hpt s VAL 520 N 1.00 3.67 -0.03 -0.44 1.01 -1.26 -0.90 120.40 123.45 2hpt s VAL 520 Ca -0.05 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.56 2hpt s VAL 520 Cb -0.15 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.62 2hpt s VAL 520 CO -0.03 0.50 -0.25 -0.36 0.00 0.00 0.00 175.10 174.96 2hpt s PHE 521 N 0.40 2.34 0.35 5.22 0.08 -0.05 -4.73 117.98 121.58 2hpt s PHE 521 Ca -0.05 -0.53 0.07 0.00 0.12 0.00 0.00 56.93 56.54 2hpt s PHE 521 Cb -0.15 -1.51 -0.01 0.00 -0.57 0.00 0.00 43.02 40.78 2hpt s PHE 521 CO 0.03 -0.10 0.43 -0.51 -0.10 0.00 0.00 175.22 174.98 2hpt s ASP 522 N -0.46 5.66 -1.53 1.36 1.01 0.11 -1.37 116.67 121.45 2hpt s ASP 522 Ca 0.06 -0.35 -0.05 0.00 0.71 0.00 0.00 52.55 52.91 2hpt s ASP 522 Cb -0.11 -1.02 0.01 0.00 1.01 0.00 0.00 42.92 42.81 2hpt s ASP 522 CO 0.00 -0.47 0.63 0.59 0.21 0.00 0.00 175.17 176.13 2hpt n ASN 523 N -1.59 -5.91 -4.42 0.27 3.02 -0.74 -4.50 115.26 101.39 2hpt n ASN 523 Ca 0.01 -0.31 -0.44 0.00 -0.03 0.00 0.00 54.58 53.81 2hpt n ASN 523 Cb 0.59 -4.77 -0.03 0.00 -0.61 0.00 0.00 39.78 34.95 2hpt n ASN 523 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2hpt s VAL 524 N -3.16 4.75 -0.74 2.41 1.01 0.12 -4.88 120.40 119.91 2hpt s VAL 524 Ca 0.33 -1.25 0.25 0.00 0.00 0.00 0.00 61.98 61.31 2hpt s VAL 524 Cb -0.15 -4.66 0.26 0.00 0.00 0.00 0.00 36.38 31.84 2hpt s VAL 524 CO 0.41 -1.35 1.77 0.00 0.00 0.00 0.00 175.10 175.93 2hpt n TYR 525 N 6.49 0.69 -3.91 5.22 0.18 -1.26 -4.54 117.16 120.04 2hpt n TYR 525 Ca 0.08 0.22 -0.11 0.00 1.88 0.00 0.00 57.90 59.98 2hpt n TYR 525 Cb 0.46 -0.86 -0.11 0.00 -0.38 0.00 0.00 39.34 38.46 2hpt n TYR 525 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 2hpt s PHE 526 N -3.12 0.09 -0.15 -3.48 5.36 -1.26 -5.10 117.98 110.32 2hpt s PHE 526 Ca 0.10 -0.19 -0.35 0.00 -0.96 0.00 0.00 56.93 55.53 2hpt s PHE 526 Cb 0.13 -0.08 -0.12 0.00 -0.34 0.00 0.00 43.02 42.61 2hpt s PHE 526 CO 0.52 -0.18 1.93 0.94 -1.46 0.00 0.00 175.22 176.98 2hpt n GLN 527 N 1.97 1.93 -2.56 10.12 7.27 -1.26 -4.92 117.38 129.93 2hpt n GLN 527 Ca -0.20 0.68 -0.30 0.00 0.07 0.00 0.00 57.00 57.25 2hpt n GLN 527 Cb 0.56 -2.61 -0.02 0.00 2.41 0.00 0.00 30.24 30.59 2hpt n GLN 527 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2hpt s PRO 528 N 4.44 3.72 -0.32 3.69 0.04 -1.26 -4.72 135.00 140.60 2hpt s PRO 528 Ca 0.96 0.53 -0.14 0.00 0.04 0.00 0.00 61.00 62.40 2hpt s PRO 528 Cb -0.73 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 31.49 2hpt s PRO 528 CO 0.52 -0.21 0.29 0.08 0.04 0.00 0.00 177.00 177.72 2hpt s VAL 529 N -2.64 5.23 0.23 -0.36 1.01 -0.26 -4.90 120.40 118.72 2hpt s VAL 529 Ca 0.52 0.05 -0.22 0.00 0.00 0.00 0.00 61.98 62.33 2hpt s VAL 529 Cb -0.10 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 2hpt s VAL 529 CO 0.38 0.03 0.79 -2.16 0.00 0.00 0.00 175.10 174.14 2hpt s PRO 530 N 1.88 4.40 -0.23 2.72 0.04 -1.26 -0.62 135.00 141.93 2hpt s PRO 530 Ca 0.09 1.04 -0.09 0.00 0.04 0.00 0.00 61.00 62.08 2hpt s PRO 530 Cb -0.17 -2.95 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 2hpt s PRO 530 CO 0.11 0.41 0.12 0.00 0.04 0.00 0.00 177.00 177.69 2hpt s ALA 531 N -1.46 3.50 0.03 8.56 0.00 0.96 -4.97 121.76 128.38 2hpt s ALA 531 Ca 0.43 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 51.55 2hpt s ALA 531 Cb -0.19 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.70 2hpt s ALA 531 CO 0.23 -0.16 -0.14 -0.51 0.00 0.00 0.00 175.76 175.18 2hpt s LEU 532 N 0.99 2.80 -1.25 0.00 1.43 -1.26 -1.50 118.68 119.90 2hpt s LEU 532 Ca 0.06 -0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 2hpt s LEU 532 Cb -0.14 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 2hpt s LEU 532 CO 0.04 0.27 0.73 -0.11 0.23 0.00 0.00 176.35 177.50 2hpt n LEU 533 N 1.57 -3.29 -4.77 1.79 7.94 0.33 -4.87 117.00 115.70 2hpt n LEU 533 Ca -0.16 -0.85 -0.41 0.00 -1.11 0.00 0.00 56.01 53.48 2hpt n LEU 533 Cb 0.52 -2.65 -0.00 0.00 0.53 0.00 0.00 43.42 41.81 2hpt n LEU 533 CO 0.28 0.39 1.07 0.00 -1.11 0.00 0.00 177.39 178.02 2hpt n GLU 535 N 0.45 -2.53 -3.56 0.00 1.02 -1.26 -2.62 120.64 112.13 2hpt n GLU 535 Ca 0.01 0.60 -0.22 0.00 -0.02 0.00 0.00 57.16 57.54 2hpt n GLU 535 Cb 0.41 -5.23 0.02 0.00 -0.02 0.00 0.00 31.44 26.62 2hpt n GLU 535 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2hpt n PHE 536 N -3.54 -2.22 0.41 -0.32 7.35 -0.74 -4.86 117.46 113.54 2hpt n PHE 536 Ca -0.13 0.74 0.13 0.00 -0.76 0.00 0.00 57.45 57.44 2hpt n PHE 536 Cb 0.60 -3.39 0.47 0.00 0.35 0.00 0.00 39.48 37.51 2hpt n PHE 536 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 2hpt h SER 537 N -0.81 0.00 -4.27 -2.13 4.64 -1.59 -3.41 113.55 105.98 2hpt h SER 537 Ca -0.48 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.67 2hpt h SER 537 Cb 1.28 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.13 2hpt h SER 537 CO 0.40 0.00 -0.51 0.00 -0.87 0.00 0.00 176.83 175.85 2hpt s ALA 538 N -3.32 -0.37 -1.24 5.18 0.00 -1.25 -4.67 121.76 116.08 2hpt s ALA 538 Ca 0.06 0.22 -0.20 0.00 0.00 0.00 0.00 51.96 52.04 2hpt s ALA 538 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2hpt s ALA 538 CO 0.52 -0.13 1.86 -0.35 0.00 0.00 0.00 175.76 177.66 2hpt n PRO 539 N 2.37 2.48 -4.11 0.00 -0.04 -1.26 -4.91 135.00 129.53 2hpt n PRO 539 Ca -0.17 -2.83 -0.08 0.00 -0.04 0.00 0.00 63.50 60.38 2hpt n PRO 539 Cb 0.57 -3.52 -0.10 0.00 -0.04 0.00 0.00 33.50 30.41 2hpt n PRO 539 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2hpt s VAL 540 N 6.62 0.29 -0.12 0.52 -7.23 -1.26 -4.37 120.40 114.84 2hpt s VAL 540 Ca 0.59 -1.84 -0.18 0.00 -1.81 0.00 0.00 61.98 58.74 2hpt s VAL 540 Cb 0.04 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 2hpt s VAL 540 CO 0.09 -0.90 0.46 -0.54 -0.31 0.00 0.00 175.10 173.89 2hpt s LYS 541 N -3.92 4.33 -0.18 4.82 1.02 0.01 -4.96 119.74 120.86 2hpt s LYS 541 Ca 0.10 0.41 -0.14 0.00 0.02 0.00 0.00 55.97 56.36 2hpt s LYS 541 Cb 0.07 -3.43 -0.05 0.00 -0.52 0.00 0.00 37.83 33.91 2hpt s LYS 541 CO -0.07 0.17 0.29 -1.17 -0.92 0.00 0.00 175.35 173.64 2hpt s LEU 542 N 0.58 4.22 -0.35 3.17 2.96 -1.26 -0.69 118.68 127.30 2hpt s LEU 542 Ca 0.25 0.46 0.03 0.00 -0.22 0.00 0.00 54.13 54.64 2hpt s LEU 542 Cb -0.15 -2.35 0.10 0.00 0.50 0.00 0.00 46.19 44.29 2hpt s LEU 542 CO 0.10 0.08 0.08 -0.70 -1.32 0.00 0.00 176.35 174.58 2hpt s GLU 543 N 0.63 1.57 -0.04 1.98 2.12 0.47 -4.96 118.70 120.47 2hpt s GLU 543 Ca 0.15 -1.89 -0.04 0.00 0.36 0.00 0.00 54.97 53.56 2hpt s GLU 543 Cb -0.13 -3.27 0.01 0.00 0.26 0.00 0.00 34.13 31.00 2hpt s GLU 543 CO 0.04 -0.96 0.11 -0.47 -0.54 0.00 0.00 175.26 173.44 2hpt s TYR 544 N 0.91 -0.12 -1.28 5.30 5.04 -1.26 -0.61 117.35 125.32 2hpt s TYR 544 Ca 0.11 0.30 -0.13 0.00 -2.44 0.00 0.00 57.07 54.91 2hpt s TYR 544 Cb -0.20 0.04 0.14 0.00 0.35 0.00 0.00 41.96 42.29 2hpt s TYR 544 CO -0.07 -0.06 1.75 1.17 -1.34 0.00 0.00 175.55 176.99 2hpt n LYS 545 N 3.05 3.37 -2.13 4.97 4.81 -1.26 -5.00 118.16 125.98 2hpt n LYS 545 Ca -0.13 -3.49 -0.36 0.00 -0.87 0.00 0.00 58.31 53.46 2hpt n LYS 545 Cb 0.59 -3.09 0.01 0.00 0.02 0.00 0.00 35.03 32.56 2hpt n LYS 545 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2hpt s TRP 546 N 1.70 2.60 0.32 5.64 0.52 -1.26 -5.05 118.94 123.41 2hpt s TRP 546 Ca 0.44 1.51 -0.01 0.00 0.02 0.00 0.00 56.10 58.06 2hpt s TRP 546 Cb 0.05 -3.43 -0.04 0.00 -1.15 0.00 0.00 33.47 28.90 2hpt s TRP 546 CO 0.00 -1.91 0.53 -1.54 0.02 0.00 0.00 176.95 174.06 2hpt s SER 547 N -1.50 6.33 0.43 2.95 1.04 -1.26 -5.00 113.70 116.69 2hpt s SER 547 Ca 0.71 0.49 0.12 0.00 0.48 0.00 0.00 55.95 57.76 2hpt s SER 547 Cb -0.29 -2.05 1.00 0.00 0.10 0.00 0.00 66.02 64.78 2hpt s SER 547 CO 0.33 -0.25 2.01 0.44 0.98 0.00 0.00 173.24 176.75 2hpt h ASP 548 N 1.06 0.37 0.89 7.02 5.19 -2.00 -2.76 116.42 126.19 2hpt h ASP 548 Ca -0.49 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 55.69 2hpt h ASP 548 Cb 1.21 -0.08 -0.03 0.00 0.18 0.00 0.00 39.33 40.61 2hpt h ASP 548 CO 0.63 0.24 -1.12 1.56 -3.12 0.00 0.00 179.24 177.42 2hpt h GLN 549 N 0.42 0.03 -0.68 3.56 7.50 -1.98 -0.28 115.11 123.68 2hpt h GLN 549 Ca 0.23 -0.05 0.07 0.00 0.50 0.00 0.00 58.65 59.40 2hpt h GLN 549 Cb 0.37 0.02 -0.06 0.00 0.05 0.00 0.00 27.48 27.85 2hpt h GLN 549 CO -0.06 0.96 0.36 1.96 -1.50 0.00 0.00 178.83 180.54 2hpt h GLN 550 N 0.01 0.62 -0.07 1.46 4.20 -1.91 -1.18 115.11 118.24 2hpt h GLN 550 Ca -0.06 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.55 2hpt h GLN 550 Cb 1.82 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.46 2hpt h GLN 550 CO 0.13 0.41 -0.19 -0.07 -0.67 0.00 0.00 178.83 178.45 2hpt h LEU 551 N 0.64 0.29 -1.58 1.46 3.38 -1.15 -1.15 115.31 117.19 2hpt h LEU 551 Ca 0.31 -0.59 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 2hpt h LEU 551 Cb 0.25 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2hpt h LEU 551 CO -0.22 0.83 -0.02 0.71 0.09 0.00 0.00 178.44 179.84 2hpt h THR 552 N -0.24 1.12 -0.24 0.22 1.35 -1.13 -0.57 112.91 113.42 2hpt h THR 552 Ca -0.00 -0.47 -0.01 0.00 -0.55 0.00 0.00 66.41 65.37 2hpt h THR 552 Cb 0.80 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 68.22 2hpt h THR 552 CO 0.04 0.16 0.11 0.15 -0.25 0.00 0.00 175.52 175.73 2hpt h PHE 553 N 0.24 0.35 -0.75 4.73 3.57 -1.09 -2.63 116.94 121.37 2hpt h PHE 553 Ca 0.06 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 2hpt h PHE 553 Cb 0.19 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 2hpt h PHE 553 CO 0.00 0.35 0.42 -0.07 -2.23 0.00 0.00 178.31 176.79 2hpt h LEU 554 N 0.25 0.92 -2.22 0.59 3.38 -0.49 0.15 115.31 117.89 2hpt h LEU 554 Ca 0.08 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2hpt h LEU 554 Cb 0.14 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2hpt h LEU 554 CO -0.01 0.73 -0.05 0.24 0.09 0.00 0.00 178.44 179.44 2hpt h MET 555 N 1.04 0.00 0.02 1.13 2.86 -0.84 -1.42 114.93 117.73 2hpt h MET 555 Ca 0.27 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.54 2hpt h MET 555 Cb 0.00 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.61 2hpt h MET 555 CO -0.05 0.05 -2.25 -2.13 1.06 0.00 0.00 176.91 173.59 2hpt n ARG 556 N -3.85 0.68 -0.01 1.72 0.63 -0.77 -4.75 116.66 110.32 2hpt n ARG 556 Ca -0.03 0.14 0.01 0.00 -0.92 0.00 0.00 57.85 57.06 2hpt n ARG 556 Cb 0.14 -1.59 -0.04 0.00 0.45 0.00 0.00 32.46 31.42 2hpt n ARG 556 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2hpt n HIS 557 N -3.10 0.00 -1.68 -0.14 8.25 0.45 -5.04 115.22 113.96 2hpt n HIS 557 Ca -0.35 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.67 2hpt n HIS 557 Cb 1.06 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 32.01 2hpt n HIS 557 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hpt n ALA 558 N -1.80 1.21 0.05 -1.41 0.00 -0.56 -4.90 120.51 113.10 2hpt n ALA 558 Ca -0.03 0.39 -0.11 0.00 0.00 0.00 0.00 53.44 53.69 2hpt n ALA 558 Cb 0.26 -2.27 -0.06 0.00 0.00 0.00 0.00 19.45 17.39 2hpt n ALA 558 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hpt h ARG 559 N 3.56 -0.10 -6.06 0.00 3.08 -1.92 -3.43 114.38 109.51 2hpt h ARG 559 Ca -0.45 0.01 -0.58 0.00 0.07 0.00 0.00 59.98 59.03 2hpt h ARG 559 Cb 1.28 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.30 2hpt h ARG 559 CO 0.71 -0.07 -0.06 1.21 -1.07 0.00 0.00 179.97 180.68 2hpt s ASN 560 N -5.11 6.93 0.57 7.04 3.84 -1.26 -4.96 114.94 121.99 2hpt s ASN 560 Ca -0.14 1.11 0.25 0.00 0.21 0.00 0.00 52.86 54.29 2hpt s ASN 560 Cb 0.07 -2.34 1.59 0.00 -0.55 0.00 0.00 41.25 40.03 2hpt s ASN 560 CO 0.66 0.16 2.17 0.44 -2.79 0.00 0.00 177.10 177.74 2hpt h ASP 561 N 5.40 0.00 -0.51 -4.21 3.32 -1.99 -2.01 116.42 116.42 2hpt h ASP 561 Ca -0.47 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 2hpt h ASP 561 Cb 1.20 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 2hpt h ASP 561 CO 0.68 0.00 -0.01 0.15 -1.72 0.00 0.00 179.24 178.34 2hpt h PHE 562 N 0.00 0.99 0.00 4.55 3.57 -1.93 -2.51 116.94 121.62 2hpt h PHE 562 Ca 0.04 -0.18 -0.05 0.00 3.53 0.00 0.00 57.97 61.32 2hpt h PHE 562 Cb 0.21 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 2hpt h PHE 562 CO 0.00 0.92 -0.23 0.77 -2.23 0.00 0.00 178.31 177.54 2hpt h SER 563 N 0.77 0.00 -0.04 0.41 0.02 -1.75 0.33 113.55 113.29 2hpt h SER 563 Ca 0.14 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 2hpt h SER 563 Cb 0.53 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 2hpt h SER 563 CO 0.03 0.23 -0.03 0.03 -1.14 0.00 0.00 176.83 175.95 2hpt h ARG 564 N 0.00 0.08 -0.46 3.45 3.08 -1.41 -0.93 114.38 118.19 2hpt h ARG 564 Ca -0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 2hpt h ARG 564 Cb 0.43 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2hpt h ARG 564 CO 0.03 0.51 0.28 2.35 -1.07 0.00 0.00 179.97 182.08 2hpt h TRP 565 N -0.35 0.61 -0.63 3.04 7.01 -1.19 -2.22 115.95 122.22 2hpt h TRP 565 Ca 0.01 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 2hpt h TRP 565 Cb 0.50 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 2hpt h TRP 565 CO 0.08 0.43 0.31 0.22 -2.79 0.00 0.00 178.44 176.69 2hpt h ASP 566 N 0.62 0.81 -0.46 2.65 3.58 -0.30 -1.51 116.42 121.81 2hpt h ASP 566 Ca 0.17 -0.12 0.07 0.00 0.42 0.00 0.00 57.03 57.57 2hpt h ASP 566 Cb -0.01 -0.21 -0.06 0.00 1.72 0.00 0.00 39.33 40.77 2hpt h ASP 566 CO -0.03 0.71 0.10 0.00 -2.88 0.00 0.00 179.24 177.14 2hpt h ALA 567 N 1.14 0.52 -0.83 -0.78 0.00 -1.12 -0.94 119.26 117.25 2hpt h ALA 567 Ca 0.22 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.28 2hpt h ALA 567 Cb 0.10 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2hpt h ALA 567 CO -0.03 -0.30 0.54 0.00 0.00 0.00 0.00 179.25 179.46 2hpt h ALA 568 N 1.35 1.58 -0.47 0.00 0.00 -0.70 -0.75 119.26 120.27 2hpt h ALA 568 Ca 0.23 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2hpt h ALA 568 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2hpt h ALA 568 CO -0.29 0.30 -0.19 1.96 0.00 0.00 0.00 179.25 181.03 2hpt h GLN 569 N 0.93 0.93 -0.44 0.00 1.08 -0.29 -1.25 115.11 116.07 2hpt h GLN 569 Ca 0.35 -0.38 -0.08 0.00 -1.45 0.00 0.00 58.65 57.10 2hpt h GLN 569 Cb 0.19 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.56 2hpt h GLN 569 CO -0.12 1.04 -0.04 0.77 -0.95 0.00 0.00 178.83 179.53 2hpt h SER 570 N 0.81 0.71 -0.10 1.46 0.02 -0.78 0.44 113.55 116.10 2hpt h SER 570 Ca 0.11 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2hpt h SER 570 Cb 0.75 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 2hpt h SER 570 CO 0.06 0.80 0.03 0.25 -1.14 0.00 0.00 176.83 176.82 2hpt h LEU 571 N 0.68 0.15 -0.64 5.07 5.85 -0.86 -3.06 115.31 122.50 2hpt h LEU 571 Ca 0.13 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 2hpt h LEU 571 Cb 0.47 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2hpt h LEU 571 CO 0.02 0.34 0.15 -0.07 -0.34 0.00 0.00 178.44 178.55 2hpt h LEU 572 N -0.04 0.97 -0.67 2.25 4.07 -1.12 -3.19 115.31 117.59 2hpt h LEU 572 Ca 0.03 -0.24 0.14 0.00 0.08 0.00 0.00 57.88 57.90 2hpt h LEU 572 Cb 0.25 -0.26 -0.11 0.00 1.08 0.00 0.00 40.66 41.62 2hpt h LEU 572 CO 0.00 0.96 0.04 0.00 -1.08 0.00 0.00 178.44 178.35 2hpt h ALA 573 N 1.05 0.71 -0.67 1.53 0.00 -0.80 0.12 119.26 121.20 2hpt h ALA 573 Ca 0.20 0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.43 2hpt h ALA 573 Cb 0.37 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.39 2hpt h ALA 573 CO 0.00 -0.39 0.19 1.15 0.00 0.00 0.00 179.25 180.20 2hpt h THR 574 N 0.14 0.62 0.00 0.00 2.02 -1.56 -1.85 112.91 112.28 2hpt h THR 574 Ca 0.36 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 67.37 2hpt h THR 574 Cb 0.59 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 2hpt h THR 574 CO -0.55 0.06 -0.83 1.88 0.37 0.00 0.00 175.52 176.45 2hpt h TYR 575 N 0.32 0.00 -0.12 3.16 0.05 -1.10 -0.99 116.97 118.29 2hpt h TYR 575 Ca 0.36 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.13 2hpt h TYR 575 Cb 0.56 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.29 2hpt h TYR 575 CO -0.23 0.23 0.01 0.82 -1.05 0.00 0.00 178.16 177.94 2hpt h ILE 576 N 0.00 1.23 -0.35 -2.88 2.04 -0.59 -1.77 117.51 115.19 2hpt h ILE 576 Ca -0.04 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 2hpt h ILE 576 Cb 1.21 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 2hpt h ILE 576 CO 0.02 0.21 0.17 0.11 0.00 0.00 0.00 178.15 178.67 2hpt h LYS 577 N -0.05 0.50 -0.35 2.37 1.57 -1.32 -0.32 116.57 118.96 2hpt h LYS 577 Ca 0.03 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2hpt h LYS 577 Cb 0.32 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.47 2hpt h LYS 577 CO 0.00 0.45 -0.13 1.25 -0.57 0.00 0.00 179.45 180.46 2hpt h LEU 578 N 0.43 -0.45 -0.04 2.94 5.85 -1.18 -2.59 115.31 120.27 2hpt h LEU 578 Ca 0.12 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 2hpt h LEU 578 Cb 0.11 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2hpt h LEU 578 CO -0.02 -0.16 -0.37 0.78 -0.34 0.00 0.00 178.44 178.33 2hpt h ASN 579 N -0.06 0.00 -0.14 1.25 2.35 -1.12 -1.96 115.58 115.90 2hpt h ASN 579 Ca 0.18 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 2hpt h ASN 579 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2hpt h ASN 579 CO -0.39 0.37 0.01 0.58 -1.65 0.00 0.00 177.43 176.34 2hpt h VAL 580 N 0.00 1.24 -0.74 2.81 2.07 -0.94 0.13 116.25 120.82 2hpt h VAL 580 Ca -0.00 -0.77 0.09 0.00 0.82 0.00 0.00 66.70 66.84 2hpt h VAL 580 Cb 1.27 1.48 -0.07 0.00 -1.52 0.00 0.00 31.29 32.45 2hpt h VAL 580 CO 0.05 0.23 0.38 0.00 0.02 0.00 0.00 177.57 178.25 2hpt h ALA 581 N 0.78 1.02 -0.84 1.67 0.00 -1.33 -1.62 119.26 118.94 2hpt h ALA 581 Ca 0.04 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2hpt h ALA 581 Cb 0.34 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2hpt h ALA 581 CO 0.01 -0.02 0.40 0.00 0.00 0.00 0.00 179.25 179.63 2hpt h ARG 582 N 0.64 1.22 -0.53 0.00 3.08 -1.32 -2.63 114.38 114.84 2hpt h ARG 582 Ca 0.36 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2hpt h ARG 582 Cb 0.37 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 2hpt h ARG 582 CO -0.26 0.94 0.34 1.25 -1.07 0.00 0.00 179.97 181.17 2hpt h HIS 583 N 1.21 0.68 0.00 3.04 2.76 -0.05 0.21 115.15 122.99 2hpt h HIS 583 Ca 0.29 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 2hpt h HIS 583 Cb 0.13 -0.23 -0.00 0.00 1.55 0.00 0.00 27.41 28.86 2hpt h HIS 583 CO 0.02 0.44 -0.05 1.96 -1.30 0.00 0.00 177.93 178.99 2hpt h GLN 584 N 0.72 0.00 -0.47 5.26 4.20 -1.05 -1.80 115.11 121.96 2hpt h GLN 584 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2hpt h GLN 584 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2hpt h GLN 584 CO -0.04 0.05 0.00 1.04 -0.67 0.00 0.00 178.83 179.21 2hpt n GLN 585 N -3.53 2.36 -1.25 1.46 6.02 -0.81 -4.96 117.38 116.66 2hpt n GLN 585 Ca -0.02 -2.09 -0.02 0.00 -0.01 0.00 0.00 57.00 54.85 2hpt n GLN 585 Cb 0.17 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.94 2hpt n GLN 585 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2hpt n GLY 586 N 1.45 0.51 3.66 1.08 0.00 -0.68 -5.05 105.19 106.15 2hpt n GLY 586 Ca 0.20 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 2hpt n GLY 586 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hpt s GLN 587 N -2.57 2.58 0.84 1.61 -0.21 0.67 -5.00 119.66 117.57 2hpt s GLN 587 Ca 0.00 -0.77 -0.12 0.00 0.02 0.00 0.00 55.36 54.50 2hpt s GLN 587 Cb 0.00 -2.55 0.09 0.00 1.00 0.00 0.00 33.01 31.56 2hpt s GLN 587 CO 0.00 0.57 1.12 -1.25 -2.12 0.00 0.00 175.29 173.61 2hpt s PRO 588 N -1.89 1.75 0.44 2.91 0.04 -1.26 -3.91 135.00 133.08 2hpt s PRO 588 Ca 0.22 0.47 -0.25 0.00 0.04 0.00 0.00 61.00 61.48 2hpt s PRO 588 Cb -0.11 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 2hpt s PRO 588 CO 0.13 -1.82 1.35 -0.11 0.04 0.00 0.00 177.00 176.60 2hpt n LEU 589 N -3.54 4.61 -3.96 -3.56 7.94 -1.26 -4.93 117.00 112.31 2hpt n LEU 589 Ca 0.07 1.11 -0.22 0.00 -1.11 0.00 0.00 56.01 55.86 2hpt n LEU 589 Cb 0.58 -1.55 -0.16 0.00 0.53 0.00 0.00 43.42 42.81 2hpt n LEU 589 CO 0.57 -0.42 -0.44 -0.55 -1.11 0.00 0.00 177.39 175.44 2hpt s SER 590 N -0.52 1.31 -0.11 1.96 0.15 -1.26 -5.14 113.70 110.09 2hpt s SER 590 Ca 0.62 -0.21 -0.04 0.00 0.70 0.00 0.00 55.95 57.02 2hpt s SER 590 Cb -0.47 -0.59 0.05 0.00 -1.71 0.00 0.00 66.02 63.30 2hpt s SER 590 CO 0.57 0.00 0.22 -0.22 1.20 0.00 0.00 173.24 175.02 2hpt s LEU 591 N 0.70 -0.02 0.72 3.45 2.96 -1.26 -4.83 118.68 120.40 2hpt s LEU 591 Ca -0.12 0.49 -0.16 0.00 -0.22 0.00 0.00 54.13 54.12 2hpt s LEU 591 Cb -0.14 0.57 0.02 0.00 0.50 0.00 0.00 46.19 47.14 2hpt s LEU 591 CO 0.02 -0.22 1.16 -2.65 -1.32 0.00 0.00 176.35 173.34 2hpt n PRO 592 N 5.02 0.64 -0.33 0.98 -0.02 -1.26 -4.89 135.00 135.14 2hpt n PRO 592 Ca -0.11 0.28 0.02 0.00 -2.02 0.00 0.00 63.50 61.67 2hpt n PRO 592 Cb 0.51 -2.40 0.16 0.00 -0.02 0.00 0.00 33.50 31.75 2hpt n PRO 592 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2hpt h VAL 593 N -0.15 1.03 0.00 -1.45 2.07 -2.01 -2.71 116.25 113.02 2hpt h VAL 593 Ca -0.48 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 66.69 2hpt h VAL 593 Cb 1.33 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2hpt h VAL 593 CO 0.49 0.19 0.00 0.00 0.02 0.00 0.00 177.57 178.27 2hpt n HIS 594 N -4.60 0.55 -0.04 1.57 1.44 -1.26 -1.80 115.22 111.08 2hpt n HIS 594 Ca 0.14 0.22 -0.10 0.00 -2.01 0.00 0.00 57.72 55.97 2hpt n HIS 594 Cb 0.21 -0.86 -0.09 0.00 0.12 0.00 0.00 29.99 29.37 2hpt n HIS 594 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2hpt h VAL 595 N 0.00 1.18 -0.85 0.61 2.07 -1.84 -2.85 116.25 114.58 2hpt h VAL 595 Ca 0.00 -1.76 0.16 0.00 0.82 0.00 0.00 66.70 65.93 2hpt h VAL 595 Cb 0.30 2.18 -0.10 0.00 -1.52 0.00 0.00 31.29 32.15 2hpt h VAL 595 CO 0.00 0.38 0.41 0.00 0.02 0.00 0.00 177.57 178.38 2hpt h ALA 596 N -0.27 1.29 -0.38 1.67 0.00 -1.57 -1.88 119.26 118.12 2hpt h ALA 596 Ca -0.00 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2hpt h ALA 596 Cb 0.65 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2hpt h ALA 596 CO 0.01 -0.16 0.25 -0.44 0.00 0.00 0.00 179.25 178.90 2hpt h ASP 597 N 0.55 0.43 -0.78 0.00 3.32 -1.43 -0.62 116.42 117.89 2hpt h ASP 597 Ca 0.48 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.47 2hpt h ASP 597 Cb 0.74 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 2hpt h ASP 597 CO -0.41 0.31 0.31 0.00 -1.72 0.00 0.00 179.24 177.73 2hpt h ALA 598 N 1.77 1.06 0.00 3.45 0.00 -1.09 -1.27 119.26 123.18 2hpt h ALA 598 Ca 0.14 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 2hpt h ALA 598 Cb -0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2hpt h ALA 598 CO -0.03 0.66 -0.61 0.74 0.00 0.00 0.00 179.25 180.02 2hpt h PHE 599 N 1.14 0.00 -0.38 0.00 0.04 -1.31 -2.39 116.94 114.04 2hpt h PHE 599 Ca 0.26 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.97 2hpt h PHE 599 Cb 0.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 2hpt h PHE 599 CO 0.02 0.61 -0.02 -0.09 -0.60 0.00 0.00 178.31 178.23 2hpt h ARG 600 N 0.00 0.69 -0.97 1.51 2.43 -0.83 -2.73 114.38 114.48 2hpt h ARG 600 Ca -0.01 -0.23 0.03 0.00 -0.81 0.00 0.00 59.98 58.96 2hpt h ARG 600 Cb 1.23 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 2hpt h ARG 600 CO 0.08 0.80 0.64 0.00 -1.51 0.00 0.00 179.97 179.98 2hpt h ALA 601 N 0.87 1.36 -0.32 2.80 0.00 -1.18 -1.90 119.26 120.89 2hpt h ALA 601 Ca 0.11 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2hpt h ALA 601 Cb 0.50 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2hpt h ALA 601 CO 0.02 0.56 0.03 0.28 0.00 0.00 0.00 179.25 180.15 2hpt h VAL 602 N 1.25 1.24 -0.67 0.00 2.07 -1.37 0.44 116.25 119.21 2hpt h VAL 602 Ca 0.38 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 67.03 2hpt h VAL 602 Cb -0.04 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2hpt h VAL 602 CO -0.11 0.29 0.44 -0.07 0.02 0.00 0.00 177.57 178.14 2hpt h LEU 603 N 0.36 0.76 -1.52 2.57 3.38 -1.17 -3.03 115.31 116.66 2hpt h LEU 603 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2hpt h LEU 603 Cb 0.39 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2hpt h LEU 603 CO 0.01 0.55 -0.16 0.18 0.09 0.00 0.00 178.44 179.11 2hpt n LEU 604 N -4.44 2.48 -4.62 1.67 4.77 -0.74 -4.88 117.00 111.24 2hpt n LEU 604 Ca 0.07 -0.91 -0.43 0.00 -0.03 0.00 0.00 56.01 54.71 2hpt n LEU 604 Cb 0.04 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 2hpt n LEU 604 CO 0.36 0.43 1.57 -0.62 -1.33 0.00 0.00 177.39 177.81 2hpt s ASP 605 N -1.98 6.06 0.00 -1.43 -1.08 0.13 -4.87 116.67 113.49 2hpt s ASP 605 Ca 0.22 1.85 0.29 0.00 -0.52 0.00 0.00 52.55 54.39 2hpt s ASP 605 Cb 0.17 -2.52 1.31 0.00 -1.46 0.00 0.00 42.92 40.42 2hpt s ASP 605 CO 0.36 -1.49 1.96 -0.62 0.52 0.00 0.00 175.17 175.90 2hpt n GLU 606 N 8.06 0.12 0.00 4.34 1.02 -1.26 -3.58 120.64 129.34 2hpt n GLU 606 Ca 0.23 -0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.47 2hpt n GLU 606 Cb 0.45 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.28 2hpt n GLU 606 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2hpt n LYS 607 N -1.44 0.24 -2.30 3.49 5.02 -1.26 -4.97 118.16 116.94 2hpt n LYS 607 Ca 0.09 -0.05 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 2hpt n LYS 607 Cb 0.31 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 2hpt n LYS 607 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2hpt s ILE 608 N -3.18 3.45 -0.02 -0.18 2.07 -1.23 -4.95 121.20 117.14 2hpt s ILE 608 Ca 0.03 1.17 -0.34 0.00 -1.41 0.00 0.00 60.65 60.10 2hpt s ILE 608 Cb 0.15 -3.75 -0.12 0.00 0.13 0.00 0.00 42.46 38.88 2hpt s ILE 608 CO 0.86 0.16 1.84 -0.67 -1.91 0.00 0.00 174.94 175.22 2hpt n ASP 609 N 2.84 3.50 -0.12 4.50 -0.08 -1.26 -4.86 116.55 121.08 2hpt n ASP 609 Ca 0.06 0.98 0.26 0.00 -1.51 0.00 0.00 54.79 54.59 2hpt n ASP 609 Cb 0.44 -1.41 0.72 0.00 2.34 0.00 0.00 41.12 43.21 2hpt n ASP 609 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2hpt h PRO 610 N 8.80 0.00 -0.65 -0.67 0.11 -1.92 -0.31 132.00 137.34 2hpt h PRO 610 Ca -0.48 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2hpt h PRO 610 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 2hpt h PRO 610 CO 0.94 0.00 0.26 0.00 -0.21 0.00 0.00 178.00 178.99 2hpt h ALA 611 N 1.57 1.23 0.08 -0.75 0.00 -1.89 0.46 119.26 119.96 2hpt h ALA 611 Ca 0.37 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 2hpt h ALA 611 Cb 1.53 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2hpt h ALA 611 CO -0.00 0.56 -0.04 1.25 0.00 0.00 0.00 179.25 181.02 2hpt h LEU 612 N 0.94 -0.09 -0.81 0.00 5.85 -1.47 -3.12 115.31 116.60 2hpt h LEU 612 Ca 0.22 -0.50 0.20 0.00 0.84 0.00 0.00 57.88 58.64 2hpt h LEU 612 Cb 0.18 0.02 -0.14 0.00 0.37 0.00 0.00 40.66 41.10 2hpt h LEU 612 CO -0.02 0.57 0.10 0.00 -0.34 0.00 0.00 178.44 178.75 2hpt h ALA 613 N -0.23 0.99 -0.83 1.25 0.00 -1.24 -1.04 119.26 118.17 2hpt h ALA 613 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2hpt h ALA 613 Cb 0.59 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 2hpt h ALA 613 CO 0.02 -0.43 0.53 0.00 0.00 0.00 0.00 179.25 179.36 2hpt h ALA 614 N 1.74 1.38 -0.06 0.00 0.00 -0.97 -1.07 119.26 120.27 2hpt h ALA 614 Ca 0.47 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 55.06 2hpt h ALA 614 Cb 0.88 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 18.35 2hpt h ALA 614 CO -0.66 0.56 -0.95 0.93 0.00 0.00 0.00 179.25 179.13 2hpt h GLU 615 N 1.13 0.74 -0.75 0.00 4.39 -1.16 -2.45 114.58 116.48 2hpt h GLU 615 Ca 0.30 -0.72 -0.01 0.00 0.34 0.00 0.00 59.36 59.27 2hpt h GLU 615 Cb -0.10 0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 2hpt h GLU 615 CO -0.06 1.31 0.41 0.82 -1.16 0.00 0.00 179.01 180.33 2hpt h ILE 616 N 0.45 1.22 -0.17 3.13 2.04 -1.19 -2.28 117.51 120.71 2hpt h ILE 616 Ca -0.10 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.22 2hpt h ILE 616 Cb 1.59 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2hpt h ILE 616 CO 0.19 0.24 0.00 0.18 0.00 0.00 0.00 178.15 178.76 2hpt n LEU 617 N -4.36 1.02 -4.41 1.44 4.77 -0.42 -4.65 117.00 110.39 2hpt n LEU 617 Ca 0.08 -0.49 -0.40 0.00 -0.03 0.00 0.00 56.01 55.16 2hpt n LEU 617 Cb 0.09 -0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 40.96 2hpt n LEU 617 CO 0.38 0.25 -0.16 -0.89 -1.33 0.00 0.00 177.39 175.63 2hpt s THR 618 N -1.77 4.68 0.61 -5.08 2.01 -0.86 -4.89 115.64 110.34 2hpt s THR 618 Ca 0.17 -0.67 -0.17 0.00 0.31 0.00 0.00 61.69 61.33 2hpt s THR 618 Cb 0.09 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 2hpt s THR 618 CO 0.12 -0.14 1.12 -0.76 -0.69 0.00 0.00 174.62 174.28 2hpt s LEU 619 N 1.59 3.55 0.37 4.42 1.43 -1.26 -4.95 118.68 123.84 2hpt s LEU 619 Ca 0.03 2.10 -0.24 0.00 -1.03 0.00 0.00 54.13 54.99 2hpt s LEU 619 Cb -0.18 -4.57 -0.13 0.00 0.03 0.00 0.00 46.19 41.34 2hpt s LEU 619 CO 0.07 -1.47 0.65 -2.65 0.23 0.00 0.00 176.35 173.18 2hpt n PRO 620 N -1.91 0.68 -1.11 1.29 -0.02 -1.26 -4.96 135.00 127.72 2hpt n PRO 620 Ca 0.11 0.25 -0.29 0.00 -2.02 0.00 0.00 63.50 61.55 2hpt n PRO 620 Cb 0.51 -1.54 0.20 0.00 -0.02 0.00 0.00 33.50 32.65 2hpt n PRO 620 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2hpt s SER 621 N -0.88 2.13 0.53 2.55 1.04 -1.26 -4.75 113.70 113.06 2hpt s SER 621 Ca 0.62 1.09 0.18 0.00 0.48 0.00 0.00 55.95 58.33 2hpt s SER 621 Cb -0.65 -1.70 1.33 0.00 0.10 0.00 0.00 66.02 65.10 2hpt s SER 621 CO 0.58 -3.43 2.15 -0.37 0.98 0.00 0.00 173.24 173.15 2hpt h VAL 622 N -2.10 0.93 -0.21 5.02 -1.51 -1.94 0.37 116.25 116.81 2hpt h VAL 622 Ca -0.54 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 64.82 2hpt h VAL 622 Cb 1.33 0.98 -0.00 0.00 -2.13 0.00 0.00 31.29 31.47 2hpt h VAL 622 CO 0.54 0.00 -0.30 0.78 -1.23 0.00 0.00 177.57 177.36 2hpt h ASN 623 N 0.00 0.63 -0.08 4.19 4.21 -1.91 -0.52 115.58 122.09 2hpt h ASN 623 Ca 0.02 -0.51 -0.06 0.00 1.21 0.00 0.00 56.30 56.95 2hpt h ASN 623 Cb 0.08 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.09 2hpt h ASN 623 CO -0.00 1.02 -0.13 -0.33 -1.29 0.00 0.00 177.43 176.70 2hpt h GLU 624 N 0.26 0.41 -0.36 0.81 5.08 -1.66 -3.00 114.58 116.13 2hpt h GLU 624 Ca 0.02 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 2hpt h GLU 624 Cb 0.87 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2hpt h GLU 624 CO 0.07 0.54 0.00 0.52 -1.00 0.00 0.00 179.01 179.14 2hpt h MET 625 N 0.39 0.63 -1.04 2.33 2.86 -0.87 -3.08 114.93 116.15 2hpt h MET 625 Ca 0.07 -0.20 0.27 0.00 -2.06 0.00 0.00 59.70 57.79 2hpt h MET 625 Cb 0.46 -0.06 -0.12 0.00 0.06 0.00 0.00 31.60 31.94 2hpt h MET 625 CO 0.03 0.74 0.64 0.00 1.06 0.00 0.00 176.91 179.37 2hpt h ALA 626 N 0.87 2.03 0.00 6.32 0.00 -0.95 -0.79 119.26 126.74 2hpt h ALA 626 Ca 0.10 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2hpt h ALA 626 Cb 0.45 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2hpt h ALA 626 CO 0.02 -0.50 -0.00 1.49 0.00 0.00 0.00 179.25 180.26 2hpt h GLU 627 N 0.46 0.00 0.00 0.00 4.22 -1.48 -2.48 114.58 115.30 2hpt h GLU 627 Ca 0.64 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.08 2hpt h GLU 627 Cb 1.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.70 2hpt h GLU 627 CO -0.42 0.00 0.00 1.28 -2.18 0.00 0.00 179.01 177.70 2hpt n LEU 628 N -3.18 0.00 -4.16 1.64 4.77 -0.30 -4.83 117.00 110.94 2hpt n LEU 628 Ca -0.03 0.30 -0.24 0.00 -0.03 0.00 0.00 56.01 56.00 2hpt n LEU 628 Cb 0.08 -0.30 -0.15 0.00 -2.33 0.00 0.00 43.42 40.72 2hpt n LEU 628 CO 0.21 -0.04 -0.50 -0.36 -1.33 0.00 0.00 177.39 175.38 2hpt s PHE 629 N -2.59 1.53 0.01 -1.77 0.08 -0.93 -5.05 117.98 109.25 2hpt s PHE 629 Ca 0.25 -0.29 -0.25 0.00 0.12 0.00 0.00 56.93 56.75 2hpt s PHE 629 Cb 0.18 -0.98 -0.15 0.00 -0.57 0.00 0.00 43.02 41.49 2hpt s PHE 629 CO 0.41 -0.02 1.13 -0.44 -0.10 0.00 0.00 175.22 176.20 2hpt h ASP 630 N 5.70 -0.61 -3.64 1.36 3.32 -1.88 -3.41 116.42 117.26 2hpt h ASP 630 Ca -0.37 -0.05 -0.62 0.00 0.02 0.00 0.00 57.03 56.01 2hpt h ASP 630 Cb 1.15 0.16 -0.14 0.00 0.22 0.00 0.00 39.33 40.72 2hpt h ASP 630 CO 0.48 -0.24 -0.37 -0.63 -1.72 0.00 0.00 179.24 176.77 2hpt s ILE 631 N -4.61 5.27 -0.14 0.35 -1.09 -1.26 -4.78 121.20 114.94 2hpt s ILE 631 Ca -0.14 0.40 -0.29 0.00 -2.23 0.00 0.00 60.65 58.39 2hpt s ILE 631 Cb 0.02 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.28 2hpt s ILE 631 CO 0.46 0.26 0.99 -0.63 -1.23 0.00 0.00 174.94 174.79 2hpt s ILE 632 N 1.47 4.78 -0.63 2.92 1.01 0.30 -4.99 121.20 126.06 2hpt s ILE 632 Ca 0.12 1.98 -0.09 0.00 0.00 0.00 0.00 60.65 62.66 2hpt s ILE 632 Cb -0.15 -4.29 0.16 0.00 0.01 0.00 0.00 42.46 38.20 2hpt s ILE 632 CO 0.08 -0.03 0.50 -0.62 0.00 0.00 0.00 174.94 174.87 2hpt s ASP 633 N 1.12 5.87 0.36 3.58 -1.08 -1.26 -4.49 116.67 120.77 2hpt s ASP 633 Ca 0.46 -2.44 0.09 0.00 -0.52 0.00 0.00 52.55 50.14 2hpt s ASP 633 Cb -0.17 -2.02 0.68 0.00 -1.46 0.00 0.00 42.92 39.95 2hpt s ASP 633 CO 0.15 -0.56 1.84 1.55 0.52 0.00 0.00 175.17 178.67 2hpt h PRO 634 N 7.80 0.19 -0.20 4.34 0.13 -1.95 -1.97 132.00 140.34 2hpt h PRO 634 Ca -0.06 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 64.89 2hpt h PRO 634 Cb 1.02 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 2hpt h PRO 634 CO 0.79 0.44 -0.34 0.82 -0.23 0.00 0.00 178.00 179.48 2hpt h ILE 635 N 0.17 1.33 -0.36 -3.56 2.04 -1.88 -2.22 117.51 113.04 2hpt h ILE 635 Ca 0.03 -1.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.33 2hpt h ILE 635 Cb 0.55 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 2hpt h ILE 635 CO 0.04 0.48 0.22 0.00 0.00 0.00 0.00 178.15 178.89 2hpt h ALA 636 N 0.61 0.46 -0.10 1.87 0.00 -1.92 -1.83 119.26 118.35 2hpt h ALA 636 Ca 0.01 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2hpt h ALA 636 Cb 0.92 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2hpt h ALA 636 CO 0.08 -0.04 0.03 0.82 0.00 0.00 0.00 179.25 180.14 2hpt h ILE 637 N 0.47 0.97 -0.31 0.00 2.04 -1.42 0.86 117.51 120.12 2hpt h ILE 637 Ca 0.13 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 66.00 2hpt h ILE 637 Cb 0.01 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 2hpt h ILE 637 CO -0.02 0.01 0.09 0.00 0.00 0.00 0.00 178.15 178.23 2hpt h ALA 638 N 1.07 0.35 -0.15 1.87 0.00 -1.35 -0.42 119.26 120.62 2hpt h ALA 638 Ca 0.04 0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 2hpt h ALA 638 Cb 0.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2hpt h ALA 638 CO -0.05 -0.31 -0.71 0.93 0.00 0.00 0.00 179.25 179.10 2hpt h GLU 639 N 0.21 0.68 -0.76 0.00 5.08 -1.26 -2.21 114.58 116.31 2hpt h GLU 639 Ca 0.14 -0.52 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 2hpt h GLU 639 Cb 0.13 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 2hpt h GLU 639 CO -0.16 1.14 0.43 0.28 -1.00 0.00 0.00 179.01 179.70 2hpt h VAL 640 N 0.48 1.22 -0.67 3.13 2.07 -0.78 -0.58 116.25 121.12 2hpt h VAL 640 Ca -0.03 -0.54 0.03 0.00 0.82 0.00 0.00 66.70 66.97 2hpt h VAL 640 Cb 1.32 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 2hpt h VAL 640 CO 0.14 0.24 0.42 -0.09 0.02 0.00 0.00 177.57 178.31 2hpt h ARG 641 N 1.04 0.80 -0.47 1.57 2.43 -0.95 0.18 114.38 118.99 2hpt h ARG 641 Ca 0.27 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.31 2hpt h ARG 641 Cb 0.01 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 2hpt h ARG 641 CO -0.05 0.53 -0.01 1.49 -1.51 0.00 0.00 179.97 180.43 2hpt h GLU 642 N 0.83 0.83 -0.43 0.20 4.81 -1.18 -1.38 114.58 118.26 2hpt h GLU 642 Ca 0.27 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2hpt h GLU 642 Cb 0.01 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2hpt h GLU 642 CO -0.10 0.89 -0.02 0.00 -0.73 0.00 0.00 179.01 179.05 2hpt h ALA 643 N 0.92 0.59 -0.60 2.92 0.00 -0.66 0.67 119.26 123.09 2hpt h ALA 643 Ca 0.13 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2hpt h ALA 643 Cb 0.52 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2hpt h ALA 643 CO 0.03 0.39 0.38 1.25 0.00 0.00 0.00 179.25 181.30 2hpt h LEU 644 N 0.61 0.64 0.03 0.00 5.85 -0.61 0.19 115.31 122.02 2hpt h LEU 644 Ca 0.12 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.84 2hpt h LEU 644 Cb 0.52 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 2hpt h LEU 644 CO 0.03 0.46 -0.07 0.74 -0.34 0.00 0.00 178.44 179.25 2hpt h THR 645 N 0.77 0.82 -0.90 1.05 2.02 -0.84 -1.14 112.91 114.67 2hpt h THR 645 Ca 0.23 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.45 2hpt h THR 645 Cb -0.04 0.82 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 2hpt h THR 645 CO -0.07 0.00 0.58 0.03 0.37 0.00 0.00 175.52 176.43 2hpt h ARG 646 N -0.14 1.07 -0.15 6.66 3.08 -0.69 0.22 114.38 124.43 2hpt h ARG 646 Ca 0.02 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2hpt h ARG 646 Cb 0.17 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 2hpt h ARG 646 CO -0.06 0.71 -0.04 1.15 -1.07 0.00 0.00 179.97 180.66 2hpt h THR 647 N 1.10 1.29 -0.33 2.04 2.02 -0.42 -1.77 112.91 116.83 2hpt h THR 647 Ca 0.37 -0.99 -0.09 0.00 0.77 0.00 0.00 66.41 66.47 2hpt h THR 647 Cb 0.06 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2hpt h THR 647 CO -0.14 0.29 -0.18 -0.07 0.37 0.00 0.00 175.52 175.80 2hpt h LEU 648 N -0.01 0.60 -1.30 2.58 3.38 -1.15 -0.94 115.31 118.47 2hpt h LEU 648 Ca 0.04 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2hpt h LEU 648 Cb 0.47 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2hpt h LEU 648 CO 0.02 0.79 0.40 0.00 0.09 0.00 0.00 178.44 179.74 2hpt h ALA 649 N 1.26 1.48 0.00 1.53 0.00 -0.79 -0.46 119.26 122.28 2hpt h ALA 649 Ca 0.09 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2hpt h ALA 649 Cb 0.61 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2hpt h ALA 649 CO 0.04 0.46 -0.51 1.15 0.00 0.00 0.00 179.25 180.39 2hpt h THR 650 N 0.89 1.47 0.00 0.00 2.02 -1.10 -2.72 112.91 113.47 2hpt h THR 650 Ca 0.23 -2.06 -0.07 0.00 0.77 0.00 0.00 66.41 65.28 2hpt h THR 650 Cb -0.05 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 2hpt h THR 650 CO -0.05 0.59 -0.34 -0.33 0.37 0.00 0.00 175.52 175.77 2hpt h GLU 651 N -0.23 0.00 -0.04 6.66 4.39 -1.06 -3.29 114.58 121.00 2hpt h GLU 651 Ca -0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2hpt h GLU 651 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 2hpt h GLU 651 CO 0.10 0.34 0.00 1.28 -1.16 0.00 0.00 179.01 179.57 2hpt n LEU 652 N -3.94 2.52 -0.28 1.33 4.77 -0.19 -4.82 117.00 116.38 2hpt n LEU 652 Ca -0.02 -2.90 0.08 0.00 -0.03 0.00 0.00 56.01 53.14 2hpt n LEU 652 Cb 0.40 -0.38 0.23 0.00 -2.33 0.00 0.00 43.42 41.34 2hpt n LEU 652 CO 0.37 0.68 1.04 0.00 -1.33 0.00 0.00 177.39 178.15 2hpt h ALA 653 N 0.29 1.22 0.01 -1.18 0.00 -1.56 0.12 119.26 118.16 2hpt h ALA 653 Ca 0.00 0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 2hpt h ALA 653 Cb 0.98 0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.89 2hpt h ALA 653 CO 0.03 -0.23 -0.93 -0.44 0.00 0.00 0.00 179.25 177.68 2hpt h ASP 654 N 0.46 0.79 -0.55 0.00 3.32 -1.88 -2.50 116.42 116.07 2hpt h ASP 654 Ca 0.47 -0.76 -0.09 0.00 0.02 0.00 0.00 57.03 56.67 2hpt h ASP 654 Cb 0.77 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 2hpt h ASP 654 CO -0.44 1.45 -0.03 -0.33 -1.72 0.00 0.00 179.24 178.17 2hpt h GLU 655 N 0.22 0.99 -0.31 3.56 3.07 -1.81 -2.11 114.58 118.19 2hpt h GLU 655 Ca -0.12 -0.33 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 2hpt h GLU 655 Cb 1.61 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.42 2hpt h GLU 655 CO 0.18 1.00 0.20 -0.07 -1.40 0.00 0.00 179.01 178.93 2hpt h LEU 656 N 0.86 0.36 -0.85 1.33 3.38 -0.82 -1.37 115.31 118.20 2hpt h LEU 656 Ca 0.15 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2hpt h LEU 656 Cb 0.57 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2hpt h LEU 656 CO 0.03 0.27 -0.07 0.25 0.09 0.00 0.00 178.44 179.01 2hpt h LEU 657 N 0.42 0.76 -0.63 1.67 5.85 -1.39 0.11 115.31 122.10 2hpt h LEU 657 Ca 0.11 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 2hpt h LEU 657 Cb -0.04 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 2hpt h LEU 657 CO -0.02 0.87 0.21 0.00 -0.34 0.00 0.00 178.44 179.16 2hpt h ALA 658 N 1.21 0.82 0.03 1.25 0.00 -1.22 -1.45 119.26 119.90 2hpt h ALA 658 Ca 0.13 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 54.60 2hpt h ALA 658 Cb 0.54 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2hpt h ALA 658 CO 0.03 0.48 -1.02 0.82 0.00 0.00 0.00 179.25 179.56 2hpt h ILE 659 N 0.90 1.41 0.13 0.00 1.08 -1.13 -1.05 117.51 118.85 2hpt h ILE 659 Ca 0.21 -2.55 0.02 0.00 -0.39 0.00 0.00 64.86 62.14 2hpt h ILE 659 Cb 0.27 2.53 -0.03 0.00 -3.07 0.00 0.00 36.82 36.51 2hpt h ILE 659 CO -0.01 0.76 -0.27 0.22 -0.69 0.00 0.00 178.15 178.16 2hpt h TYR 660 N 0.21 -0.74 -0.25 1.37 3.20 -0.98 -2.85 116.97 116.94 2hpt h TYR 660 Ca -0.10 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.73 2hpt h TYR 660 Cb 1.67 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 40.24 2hpt h TYR 660 CO 0.06 -0.38 -0.10 -0.91 -1.64 0.00 0.00 178.16 175.19 2hpt h ASN 661 N -0.49 0.38 1.15 -2.11 -0.26 -1.22 -2.99 115.58 110.04 2hpt h ASN 661 Ca 0.03 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 2hpt h ASN 661 Cb 0.52 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.68 2hpt h ASN 661 CO -0.15 0.53 0.00 0.00 -1.06 0.00 0.00 177.43 176.74 2hpt h ALA 662 N 1.52 1.00 -0.27 -0.83 0.00 -1.12 -3.05 119.26 116.51 2hpt h ALA 662 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2hpt h ALA 662 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2hpt h ALA 662 CO 0.02 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.36 2hpt n ASN 663 N -2.88 2.98 -4.54 0.00 3.02 -1.08 -4.96 115.26 107.80 2hpt n ASN 663 Ca 0.02 -1.87 -0.47 0.00 -0.03 0.00 0.00 54.58 52.22 2hpt n ASN 663 Cb 0.33 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 2hpt n ASN 663 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hpt n TYR 664 N 1.09 0.85 -3.64 3.10 9.36 -1.16 -4.67 117.16 122.10 2hpt n TYR 664 Ca 0.14 0.77 -0.24 0.00 3.32 0.00 0.00 57.90 61.89 2hpt n TYR 664 Cb 0.49 -2.19 -0.17 0.00 -0.63 0.00 0.00 39.34 36.85 2hpt n TYR 664 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 2hpt s GLN 665 N -1.01 0.08 0.25 2.98 -0.21 -1.26 -5.04 119.66 115.45 2hpt s GLN 665 Ca 0.66 0.02 0.07 0.00 0.02 0.00 0.00 55.36 56.13 2hpt s GLN 665 Cb -0.82 -1.48 0.29 0.00 1.00 0.00 0.00 33.01 32.00 2hpt s GLN 665 CO 0.57 -0.57 1.58 0.66 -2.12 0.00 0.00 175.29 175.41 2hpt h SER 666 N 8.41 0.16 -3.35 5.90 4.64 -2.04 -3.43 113.55 123.85 2hpt h SER 666 Ca -0.14 -0.10 -0.56 0.00 -0.47 0.00 0.00 61.79 60.52 2hpt h SER 666 Cb 1.14 -0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 63.14 2hpt h SER 666 CO 0.26 0.73 0.05 -1.61 -0.87 0.00 0.00 176.83 175.39 2hpt s GLU 667 N -3.70 4.35 -0.27 4.77 0.41 -1.26 -5.01 118.70 117.99 2hpt s GLU 667 Ca -0.03 0.90 -0.13 0.00 -0.41 0.00 0.00 54.97 55.30 2hpt s GLU 667 Cb 0.12 -3.26 -0.04 0.00 -1.78 0.00 0.00 34.13 29.17 2hpt s GLU 667 CO 0.78 0.58 0.28 -0.47 -0.49 0.00 0.00 175.26 175.94 2hpt s TYR 668 N -0.99 3.24 -0.06 1.61 5.04 -1.26 -5.08 117.35 119.85 2hpt s TYR 668 Ca 0.32 0.26 0.03 0.00 -2.44 0.00 0.00 57.07 55.24 2hpt s TYR 668 Cb -0.21 -2.47 0.00 0.00 0.35 0.00 0.00 41.96 39.64 2hpt s TYR 668 CO 0.22 -0.19 -0.16 1.03 -1.34 0.00 0.00 175.55 175.11 2hpt s ARG 669 N 1.89 1.89 -1.49 4.97 0.52 -1.26 -5.04 118.95 120.42 2hpt s ARG 669 Ca 0.11 -0.56 -0.13 0.00 -0.52 0.00 0.00 55.73 54.63 2hpt s ARG 669 Cb -0.16 -1.57 0.01 0.00 0.52 0.00 0.00 34.95 33.75 2hpt s ARG 669 CO 0.10 0.15 2.40 0.28 0.02 0.00 0.00 175.30 178.26 2hpt n VAL 670 N 3.44 3.74 -4.16 3.52 0.31 -1.26 -4.43 118.33 119.49 2hpt n VAL 670 Ca -0.20 -2.98 -0.15 0.00 -0.01 0.00 0.00 64.34 60.99 2hpt n VAL 670 Cb 0.53 -2.59 -0.13 0.00 -0.91 0.00 0.00 33.84 30.73 2hpt n VAL 670 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2hpt s GLU 671 N 2.75 0.51 0.25 5.55 2.02 -1.26 -5.04 118.70 123.48 2hpt s GLU 671 Ca 0.53 -0.42 -0.05 0.00 0.02 0.00 0.00 54.97 55.05 2hpt s GLU 671 Cb 0.15 -0.43 0.28 0.00 0.10 0.00 0.00 34.13 34.23 2hpt s GLU 671 CO -0.08 0.11 1.82 0.45 0.02 0.00 0.00 175.26 177.58 2hpt h HIS 672 N 5.46 1.08 -0.56 1.61 3.86 -1.94 0.20 115.15 124.85 2hpt h HIS 672 Ca -0.31 -0.07 -0.06 0.00 -1.16 0.00 0.00 60.37 58.76 2hpt h HIS 672 Cb 1.19 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 2hpt h HIS 672 CO 0.49 0.82 0.10 1.49 0.86 0.00 0.00 177.93 181.69 2hpt h GLU 673 N 1.04 0.89 -0.15 2.45 4.81 -1.97 -1.06 114.58 120.60 2hpt h GLU 673 Ca 0.24 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 2hpt h GLU 673 Cb 0.19 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2hpt h GLU 673 CO -0.02 0.82 -0.39 -0.44 -0.73 0.00 0.00 179.01 178.25 2hpt h ASP 674 N 0.85 0.60 -0.74 1.04 5.19 -1.64 -2.71 116.42 119.00 2hpt h ASP 674 Ca 0.18 -0.58 0.11 0.00 -0.62 0.00 0.00 57.03 56.11 2hpt h ASP 674 Cb 0.36 -0.17 -0.08 0.00 0.18 0.00 0.00 39.33 39.62 2hpt h ASP 674 CO 0.01 1.08 0.37 0.40 -3.12 0.00 0.00 179.24 177.97 2hpt h ILE 675 N 0.15 0.82 -0.12 0.35 2.04 -0.84 -1.20 117.51 118.70 2hpt h ILE 675 Ca -0.01 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 2hpt h ILE 675 Cb 1.00 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2hpt h ILE 675 CO 0.08 0.11 0.04 0.00 0.00 0.00 0.00 178.15 178.38 2hpt h ALA 676 N 1.46 0.16 -1.00 1.87 0.00 -1.12 0.89 119.26 121.51 2hpt h ALA 676 Ca 0.38 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.20 2hpt h ALA 676 Cb 0.43 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 2hpt h ALA 676 CO -0.29 -0.22 0.66 0.87 0.00 0.00 0.00 179.25 180.26 2hpt h LYS 677 N 0.01 1.22 -0.16 0.00 1.57 -1.37 -1.26 116.57 116.58 2hpt h LYS 677 Ca 0.04 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.54 2hpt h LYS 677 Cb 0.23 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2hpt h LYS 677 CO -0.00 0.80 -0.71 -0.09 -0.57 0.00 0.00 179.45 178.88 2hpt h ARG 678 N 1.25 0.68 -0.64 3.15 2.43 -0.97 0.57 114.38 120.86 2hpt h ARG 678 Ca 0.41 -0.52 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2hpt h ARG 678 Cb 0.03 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 2hpt h ARG 678 CO -0.13 1.14 0.37 1.15 -1.51 0.00 0.00 179.97 180.98 2hpt h THR 679 N 0.48 1.20 -0.25 0.20 2.02 -0.65 -0.27 112.91 115.64 2hpt h THR 679 Ca -0.03 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 2hpt h THR 679 Cb 1.31 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 2hpt h THR 679 CO 0.14 0.21 0.10 0.25 0.37 0.00 0.00 175.52 176.59 2hpt h LEU 680 N 0.88 0.34 -0.32 2.58 5.85 -1.11 -0.08 115.31 123.45 2hpt h LEU 680 Ca 0.23 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.84 2hpt h LEU 680 Cb 0.02 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 2hpt h LEU 680 CO -0.04 0.41 0.01 -0.09 -0.34 0.00 0.00 178.44 178.39 2hpt h ARG 681 N 0.25 0.10 0.00 1.25 2.43 -0.69 -1.05 114.38 116.66 2hpt h ARG 681 Ca 0.08 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 2hpt h ARG 681 Cb 0.17 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2hpt h ARG 681 CO -0.01 0.06 -0.33 -0.91 -1.51 0.00 0.00 179.97 177.28 2hpt h ASN 682 N 0.10 0.00 -0.41 -3.80 -0.26 -0.99 -0.50 115.58 109.71 2hpt h ASN 682 Ca 0.15 0.00 -0.10 0.00 -0.56 0.00 0.00 56.30 55.79 2hpt h ASN 682 Cb 0.20 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.44 2hpt h ASN 682 CO -0.25 0.33 -0.10 0.00 -1.06 0.00 0.00 177.43 176.35 2hpt h ALA 683 N 1.67 0.93 0.03 -0.83 0.00 -0.64 -2.21 119.26 118.21 2hpt h ALA 683 Ca -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 2hpt h ALA 683 Cb 0.76 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2hpt h ALA 683 CO 0.04 0.63 -0.01 0.00 0.00 0.00 0.00 179.25 179.90 2hpt h LEU 685 N -0.31 0.18 -0.37 0.00 5.85 -1.11 -1.21 115.31 118.34 2hpt h LEU 685 Ca -0.00 0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.96 2hpt h LEU 685 Cb 0.29 0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2hpt h LEU 685 CO 0.01 -0.13 0.09 -0.09 -0.34 0.00 0.00 178.44 177.98 2hpt h ARG 686 N 0.27 0.21 -0.40 1.25 1.12 -1.20 0.91 114.38 116.53 2hpt h ARG 686 Ca 0.60 -0.01 -0.09 0.00 -1.11 0.00 0.00 59.98 59.37 2hpt h ARG 686 Cb 1.26 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 31.16 2hpt h ARG 686 CO -0.63 0.14 -0.12 0.74 -3.11 0.00 0.00 179.97 177.00 2hpt h PHE 687 N 0.22 0.90 -0.01 2.20 0.04 -1.41 -3.03 116.94 115.84 2hpt h PHE 687 Ca 0.17 -0.20 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 2hpt h PHE 687 Cb 0.19 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 2hpt h PHE 687 CO -0.18 0.93 -0.01 -0.07 -0.60 0.00 0.00 178.31 178.38 2hpt h LEU 688 N 0.61 0.01 -2.07 1.54 3.38 -0.78 -0.99 115.31 117.01 2hpt h LEU 688 Ca 0.10 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2hpt h LEU 688 Cb 0.65 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 2hpt h LEU 688 CO 0.04 0.03 -0.07 0.00 0.09 0.00 0.00 178.44 178.53 2hpt h ALA 689 N 1.97 1.20 -0.61 1.53 0.00 -0.70 -2.64 119.26 120.01 2hpt h ALA 689 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2hpt h ALA 689 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2hpt h ALA 689 CO 0.00 0.09 0.00 1.19 0.00 0.00 0.00 179.25 180.53 2hpt n PHE 690 N -3.47 1.18 -1.09 0.00 3.72 -0.38 -4.82 117.46 112.60 2hpt n PHE 690 Ca -0.02 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.80 2hpt n PHE 690 Cb 0.21 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 2hpt n PHE 690 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2hpt n GLY 691 N 1.10 1.96 3.65 1.37 0.00 -1.00 -4.64 105.19 107.63 2hpt n GLY 691 Ca 0.23 -1.91 -0.46 0.00 0.00 0.00 0.00 46.02 43.88 2hpt n GLY 691 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2hpt n GLU 692 N 0.00 1.87 -0.22 1.61 0.00 -1.26 -4.76 120.64 117.88 2hpt n GLU 692 Ca 0.00 0.67 -0.07 0.00 0.00 0.00 0.00 57.16 57.75 2hpt n GLU 692 Cb 0.00 -2.33 0.03 0.00 0.00 0.00 0.00 31.44 29.15 2hpt n GLU 692 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 2hpt h THR 693 N 3.14 1.23 -0.11 6.31 2.02 -1.94 -0.09 112.91 123.47 2hpt h THR 693 Ca -0.45 -0.74 -0.07 0.00 0.77 0.00 0.00 66.41 65.93 2hpt h THR 693 Cb 1.28 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2hpt h THR 693 CO 0.78 0.29 -0.19 -0.74 0.37 0.00 0.00 175.52 176.03 2hpt h HIS 694 N 0.86 0.41 -0.47 3.16 -0.00 -2.00 -1.71 115.15 115.41 2hpt h HIS 694 Ca 0.20 -0.14 0.08 0.00 -0.00 0.00 0.00 60.37 60.51 2hpt h HIS 694 Cb 0.22 -0.08 -0.06 0.00 -0.00 0.00 0.00 27.41 27.48 2hpt h HIS 694 CO 0.01 0.79 0.09 1.25 -0.00 0.00 0.00 177.93 180.08 2hpt h LEU 695 N -0.09 -0.00 -0.30 0.26 5.85 -1.93 -2.17 115.31 116.93 2hpt h LEU 695 Ca 0.01 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2hpt h LEU 695 Cb 0.76 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 2hpt h LEU 695 CO 0.04 0.03 0.19 0.00 -0.34 0.00 0.00 178.44 178.37 2hpt h ALA 696 N 1.36 0.38 -0.70 1.25 0.00 -1.00 -1.08 119.26 119.46 2hpt h ALA 696 Ca 0.23 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2hpt h ALA 696 Cb 0.30 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2hpt h ALA 696 CO -0.31 -0.17 0.23 0.22 0.00 0.00 0.00 179.25 179.23 2hpt h ASP 697 N 0.39 1.00 0.19 0.00 3.58 -1.22 -0.72 116.42 119.63 2hpt h ASP 697 Ca 0.11 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 2hpt h ASP 697 Cb -0.04 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.76 2hpt h ASP 697 CO -0.03 0.92 -0.09 0.58 -2.88 0.00 0.00 179.24 177.74 2hpt h VAL 698 N 1.04 0.87 -0.08 2.25 2.07 -1.24 -2.07 116.25 119.09 2hpt h VAL 698 Ca 0.23 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2hpt h VAL 698 Cb 0.27 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2hpt h VAL 698 CO -0.01 0.06 0.06 0.25 0.02 0.00 0.00 177.57 177.95 2hpt h LEU 699 N -0.38 0.10 0.20 2.57 5.85 -1.00 -1.58 115.31 121.06 2hpt h LEU 699 Ca -0.03 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2hpt h LEU 699 Cb 0.30 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2hpt h LEU 699 CO 0.04 0.07 -0.10 0.58 -0.34 0.00 0.00 178.44 178.70 2hpt h VAL 700 N 0.11 0.89 -0.72 1.05 2.07 -1.22 -1.27 116.25 117.16 2hpt h VAL 700 Ca 0.03 -0.51 0.10 0.00 0.82 0.00 0.00 66.70 67.14 2hpt h VAL 700 Cb -0.01 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 2hpt h VAL 700 CO -0.01 0.12 0.36 -1.28 0.02 0.00 0.00 177.57 176.78 2hpt h SER 701 N -0.52 0.46 -0.05 0.57 0.87 -1.38 -1.36 113.55 112.13 2hpt h SER 701 Ca -0.03 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2hpt h SER 701 Cb 0.39 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2hpt h SER 701 CO 0.04 0.26 0.03 0.50 -0.53 0.00 0.00 176.83 177.13 2hpt h LYS 702 N 0.60 0.08 -0.90 2.24 3.11 -1.25 -2.06 116.57 118.40 2hpt h LYS 702 Ca 0.36 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 58.20 2hpt h LYS 702 Cb 0.39 -0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 31.56 2hpt h LYS 702 CO -0.28 0.17 0.59 0.37 -2.81 0.00 0.00 179.45 177.50 2hpt h GLN 703 N -0.04 1.18 -0.36 1.90 4.15 -0.84 0.19 115.11 121.30 2hpt h GLN 703 Ca 0.02 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 2hpt h GLN 703 Cb 0.12 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 2hpt h GLN 703 CO -0.00 0.79 0.14 0.35 -1.93 0.00 0.00 178.83 178.17 2hpt h PHE 704 N 1.22 0.55 0.03 3.99 3.57 -1.05 -0.52 116.94 124.73 2hpt h PHE 704 Ca 0.33 -0.04 -0.24 0.00 3.53 0.00 0.00 57.97 61.55 2hpt h PHE 704 Cb -0.14 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.44 2hpt h PHE 704 CO 0.00 0.51 -1.02 0.45 -2.23 0.00 0.00 178.31 176.02 2hpt h HIS 705 N 0.43 0.58 -0.00 0.41 3.86 -1.11 -3.32 115.15 115.99 2hpt h HIS 705 Ca 0.12 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 58.99 2hpt h HIS 705 Cb 0.20 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2hpt h HIS 705 CO -0.00 1.18 -0.42 0.39 0.86 0.00 0.00 177.93 179.93 2hpt n GLU 706 N -3.69 0.01 -1.59 2.45 1.02 0.63 -4.95 120.64 114.51 2hpt n GLU 706 Ca -0.07 -0.00 -0.49 0.00 -0.02 0.00 0.00 57.16 56.57 2hpt n GLU 706 Cb 0.88 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.76 2hpt n GLU 706 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hpt n ALA 707 N -1.49 -0.60 -0.71 0.62 0.00 -0.21 -4.90 120.51 113.22 2hpt n ALA 707 Ca 0.06 0.47 0.08 0.00 0.00 0.00 0.00 53.44 54.05 2hpt n ALA 707 Cb 0.34 -2.07 0.32 0.00 0.00 0.00 0.00 19.45 18.04 2hpt n ALA 707 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2hpt n ASN 708 N 2.18 4.54 -3.55 0.00 6.94 -1.26 -4.94 115.26 119.18 2hpt n ASN 708 Ca 0.16 -2.62 -0.11 0.00 -0.02 0.00 0.00 54.58 51.98 2hpt n ASN 708 Cb 0.24 -0.55 -0.04 0.00 -2.36 0.00 0.00 39.78 37.07 2hpt n ASN 708 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2hpt s ASN 709 N -1.14 -0.37 0.30 0.53 4.22 -1.26 -4.84 114.94 112.39 2hpt s ASN 709 Ca 0.46 -0.17 0.12 0.00 -2.14 0.00 0.00 52.86 51.13 2hpt s ASN 709 Cb 0.32 0.52 0.47 0.00 1.28 0.00 0.00 41.25 43.85 2hpt s ASN 709 CO 0.18 -0.89 1.67 -0.03 -2.04 0.00 0.00 177.10 175.99 2hpt h MET 710 N 2.25 0.00 0.05 3.55 1.85 -1.16 -2.66 114.93 118.81 2hpt h MET 710 Ca -0.34 0.00 0.03 0.00 -0.61 0.00 0.00 59.70 58.78 2hpt h MET 710 Cb 1.27 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 33.26 2hpt h MET 710 CO 0.43 0.54 -0.36 1.15 -0.40 0.00 0.00 176.91 178.27 2hpt h THR 711 N 0.00 0.25 -0.39 -0.77 2.02 -1.82 0.23 112.91 112.42 2hpt h THR 711 Ca -0.01 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 2hpt h THR 711 Cb 0.98 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2hpt h THR 711 CO 0.07 0.00 -0.18 0.44 0.37 0.00 0.00 175.52 176.22 2hpt h ASP 712 N -0.54 0.74 -0.39 4.18 3.32 -1.95 -1.62 116.42 120.17 2hpt h ASP 712 Ca 0.05 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 2hpt h ASP 712 Cb 0.61 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2hpt h ASP 712 CO -0.26 0.92 0.04 0.00 -1.72 0.00 0.00 179.24 178.22 2hpt h ALA 713 N 1.14 0.52 -0.42 3.45 0.00 -1.09 -2.59 119.26 120.28 2hpt h ALA 713 Ca 0.10 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 2hpt h ALA 713 Cb 0.67 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2hpt h ALA 713 CO 0.05 0.26 -0.31 1.25 0.00 0.00 0.00 179.25 180.49 2hpt h LEU 714 N 0.50 0.99 -0.39 0.00 5.85 -0.50 -0.79 115.31 120.98 2hpt h LEU 714 Ca 0.11 -0.42 0.05 0.00 0.84 0.00 0.00 57.88 58.46 2hpt h LEU 714 Cb 0.41 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 2hpt h LEU 714 CO 0.01 1.22 0.12 0.00 -0.34 0.00 0.00 178.44 179.45 2hpt h ALA 715 N 0.84 0.45 0.09 1.25 0.00 -1.26 0.13 119.26 120.75 2hpt h ALA 715 Ca 0.08 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2hpt h ALA 715 Cb 0.90 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2hpt h ALA 715 CO 0.08 -0.27 -0.14 0.00 0.00 0.00 0.00 179.25 178.92 2hpt h ALA 716 N 1.26 -0.23 -0.18 0.00 0.00 -1.42 -1.42 119.26 117.28 2hpt h ALA 716 Ca 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2hpt h ALA 716 Cb 0.18 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2hpt h ALA 716 CO -0.20 -0.66 -0.09 1.25 0.00 0.00 0.00 179.25 179.56 2hpt h LEU 717 N -0.28 0.26 0.10 0.00 5.85 -0.50 -0.71 115.31 120.03 2hpt h LEU 717 Ca 0.02 -0.05 -0.27 0.00 0.84 0.00 0.00 57.88 58.42 2hpt h LEU 717 Cb 0.29 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2hpt h LEU 717 CO -0.08 0.39 -1.29 -1.28 -0.34 0.00 0.00 178.44 175.84 2hpt h SER 718 N 0.27 0.33 -0.79 1.25 0.87 -0.63 -2.12 113.55 112.73 2hpt h SER 718 Ca 0.06 -0.38 -0.04 0.00 -1.23 0.00 0.00 61.79 60.19 2hpt h SER 718 Cb 0.33 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 2hpt h SER 718 CO 0.02 1.30 0.32 0.00 -0.53 0.00 0.00 176.83 177.94 2hpt h ALA 719 N 0.65 1.02 -0.62 6.23 0.00 -0.94 -0.51 119.26 125.09 2hpt h ALA 719 Ca -0.14 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.65 2hpt h ALA 719 Cb 1.95 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 19.37 2hpt h ALA 719 CO 0.18 0.64 0.30 0.00 0.00 0.00 0.00 179.25 180.36 2hpt h ALA 720 N 1.17 0.82 -0.09 0.00 0.00 -0.91 -1.19 119.26 119.05 2hpt h ALA 720 Ca 0.26 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 2hpt h ALA 720 Cb 0.21 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2hpt h ALA 720 CO -0.02 -0.08 -0.06 0.28 0.00 0.00 0.00 179.25 179.37 2hpt h VAL 721 N 0.54 1.33 -0.27 0.00 2.07 -1.27 -0.09 116.25 118.56 2hpt h VAL 721 Ca 0.29 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 2hpt h VAL 721 Cb 0.27 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2hpt h VAL 721 CO -0.23 0.31 0.17 0.00 0.02 0.00 0.00 177.57 177.84 2hpt h ALA 722 N 0.62 0.34 -0.33 1.67 0.00 -0.87 -1.88 119.26 118.81 2hpt h ALA 722 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2hpt h ALA 722 Cb 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2hpt h ALA 722 CO 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.10 2hpt n ALA 723 N -2.18 2.46 -3.93 0.00 0.00 -0.47 -4.75 120.51 111.65 2hpt n ALA 723 Ca -0.02 -0.67 -0.25 0.00 0.00 0.00 0.00 53.44 52.50 2hpt n ALA 723 Cb 0.04 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 2hpt n ALA 723 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2hpt n GLN 724 N 0.62 -3.46 -1.92 0.00 6.02 -0.53 -4.91 117.38 113.20 2hpt n GLN 724 Ca 0.15 0.43 -0.32 0.00 -0.01 0.00 0.00 57.00 57.24 2hpt n GLN 724 Cb 0.35 -4.59 0.02 0.00 1.02 0.00 0.00 30.24 27.04 2hpt n GLN 724 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2hpt s LEU 725 N -6.93 3.41 0.45 1.08 1.43 -0.16 -4.92 118.68 113.04 2hpt s LEU 725 Ca 0.00 1.80 0.16 0.00 -1.03 0.00 0.00 54.13 55.06 2hpt s LEU 725 Cb -0.00 -4.53 1.10 0.00 0.03 0.00 0.00 46.19 42.80 2hpt s LEU 725 CO 0.88 -1.28 1.98 -0.65 0.23 0.00 0.00 176.35 177.52 2hpt h PRO 726 N 0.16 0.31 0.00 1.29 0.11 -1.91 -0.90 132.00 131.06 2hpt h PRO 726 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2hpt h PRO 726 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2hpt h PRO 726 CO 0.57 0.21 0.00 0.00 -0.21 0.00 0.00 178.00 178.57 2hpt h ARG 728 N 0.00 -0.23 -0.47 0.00 2.43 -1.43 -1.97 114.38 112.71 2hpt h ARG 728 Ca 0.00 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 2hpt h ARG 728 Cb 0.29 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2hpt h ARG 728 CO 0.00 -0.15 -0.15 -0.44 -1.51 0.00 0.00 179.97 177.72 2hpt h ASP 729 N -0.24 0.89 -0.08 -3.80 3.32 -1.81 -1.39 116.42 113.31 2hpt h ASP 729 Ca 0.13 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 2hpt h ASP 729 Cb 0.44 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 2hpt h ASP 729 CO -0.37 1.04 -0.01 0.00 -1.72 0.00 0.00 179.24 178.18 2hpt h ALA 730 N 1.03 0.11 -0.82 3.45 0.00 -1.78 -1.73 119.26 119.53 2hpt h ALA 730 Ca 0.12 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2hpt h ALA 730 Cb 0.68 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 2hpt h ALA 730 CO 0.05 -0.18 0.50 -0.07 0.00 0.00 0.00 179.25 179.55 2hpt h LEU 731 N -0.16 0.80 -0.69 0.00 3.38 -1.22 -0.32 115.31 117.10 2hpt h LEU 731 Ca 0.02 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2hpt h LEU 731 Cb 0.39 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2hpt h LEU 731 CO 0.01 0.52 -0.12 0.24 0.09 0.00 0.00 178.44 179.18 2hpt h MET 732 N 0.93 0.89 -0.38 1.13 2.86 -1.23 -1.36 114.93 117.77 2hpt h MET 732 Ca 0.35 -0.32 -0.08 0.00 -2.06 0.00 0.00 59.70 57.60 2hpt h MET 732 Cb 0.14 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2hpt h MET 732 CO -0.16 0.96 -0.07 0.37 1.06 0.00 0.00 176.91 179.06 2hpt h GLN 733 N 0.80 0.72 -0.64 1.72 5.75 -0.96 -1.86 115.11 120.64 2hpt h GLN 733 Ca 0.13 -0.27 0.02 0.00 -0.15 0.00 0.00 58.65 58.38 2hpt h GLN 733 Cb 0.64 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.11 2hpt h GLN 733 CO 0.04 0.86 0.40 0.93 -2.65 0.00 0.00 178.83 178.41 2hpt h GLU 734 N 0.52 0.78 -0.34 1.69 5.08 -0.73 0.28 114.58 121.86 2hpt h GLU 734 Ca 0.10 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2hpt h GLU 734 Cb 0.58 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2hpt h GLU 734 CO 0.03 0.52 0.04 -0.92 -1.00 0.00 0.00 179.01 177.68 2hpt h TYR 735 N 0.80 0.61 -0.20 4.33 3.20 -1.16 -1.39 116.97 123.16 2hpt h TYR 735 Ca 0.25 -0.09 0.05 0.00 3.14 0.00 0.00 58.73 62.09 2hpt h TYR 735 Cb -0.01 -0.16 -0.06 0.00 1.54 0.00 0.00 36.73 38.03 2hpt h TYR 735 CO -0.04 0.65 -0.19 0.22 -1.64 0.00 0.00 178.16 177.15 2hpt h ASP 736 N 0.40 -0.61 -0.34 -2.11 1.82 -0.95 0.16 116.42 114.78 2hpt h ASP 736 Ca 0.10 0.11 -0.05 0.00 -0.39 0.00 0.00 57.03 56.80 2hpt h ASP 736 Cb 0.38 0.29 -0.02 0.00 0.68 0.00 0.00 39.33 40.66 2hpt h ASP 736 CO 0.01 -0.23 0.05 0.44 -1.61 0.00 0.00 179.24 177.90 2hpt h ASP 737 N -0.21 0.62 -0.05 2.28 3.32 -0.68 -1.03 116.42 120.67 2hpt h ASP 737 Ca 0.12 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 2hpt h ASP 737 Cb 0.39 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.79 2hpt h ASP 737 CO -0.32 0.66 -0.64 0.50 -1.72 0.00 0.00 179.24 177.71 2hpt h LYS 738 N 0.64 0.53 -0.01 3.56 3.64 -0.91 -3.40 116.57 120.61 2hpt h LYS 738 Ca 0.14 -0.50 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 2hpt h LYS 738 Cb 0.32 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2hpt h LYS 738 CO 0.01 1.13 -0.06 0.91 -2.27 0.00 0.00 179.45 179.16 2hpt n TRP 739 N -4.15 0.00 0.17 1.91 7.02 0.52 -4.73 117.44 118.19 2hpt n TRP 739 Ca -0.09 0.00 0.18 0.00 -1.02 0.00 0.00 57.50 56.57 2hpt n TRP 739 Cb 0.68 0.00 0.80 0.00 -2.42 0.00 0.00 31.31 30.37 2hpt n TRP 739 CO 0.00 0.00 0.00 1.12 -2.02 0.00 0.00 177.69 176.79 2hpt h HIS 740 N 1.95 0.00 -0.07 -5.99 2.07 -1.36 -0.42 115.15 111.33 2hpt h HIS 740 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2hpt h HIS 740 Cb 0.45 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.43 2hpt h HIS 740 CO 0.00 0.00 0.00 1.04 -3.07 0.00 0.00 177.93 175.90 2hpt n GLN 741 N -3.72 1.40 -3.94 5.12 6.02 -1.26 -4.54 117.38 116.46 2hpt n GLN 741 Ca 0.04 -0.60 -0.30 0.00 -0.01 0.00 0.00 57.00 56.13 2hpt n GLN 741 Cb 0.44 -1.38 -0.15 0.00 1.02 0.00 0.00 30.24 30.17 2hpt n GLN 741 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2hpt s ASN 742 N -1.67 4.46 0.22 1.08 3.84 -0.17 -5.02 114.94 117.68 2hpt s ASN 742 Ca 0.33 -2.40 -0.11 0.00 0.21 0.00 0.00 52.86 50.89 2hpt s ASN 742 Cb 0.17 -1.50 0.31 0.00 -0.55 0.00 0.00 41.25 39.68 2hpt s ASN 742 CO 0.27 -0.33 1.65 1.23 -2.79 0.00 0.00 177.10 177.12 2hpt h GLY 743 N 7.25 0.64 1.27 1.21 0.00 -1.82 -0.74 103.07 110.88 2hpt h GLY 743 Ca -0.06 0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 2hpt h GLY 743 CO 0.56 -0.23 0.10 1.41 0.00 0.00 0.00 176.54 178.39 2hpt h LEU 744 N 0.08 0.86 -0.20 3.11 3.38 -1.95 0.16 115.31 120.75 2hpt h LEU 744 Ca 0.33 -0.18 -0.21 0.00 0.09 0.00 0.00 57.88 57.91 2hpt h LEU 744 Cb 0.55 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.08 2hpt h LEU 744 CO -0.59 0.86 -0.72 0.58 0.09 0.00 0.00 178.44 178.66 2hpt h VAL 745 N 0.86 1.28 0.00 1.22 2.07 -1.72 -3.19 116.25 116.77 2hpt h VAL 745 Ca 0.18 -1.92 -0.05 0.00 0.82 0.00 0.00 66.70 65.74 2hpt h VAL 745 Cb 0.36 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 2hpt h VAL 745 CO 0.01 0.61 -0.22 0.24 0.02 0.00 0.00 177.57 178.23 2hpt h MET 746 N 0.57 0.00 -0.99 1.57 2.86 -0.70 -2.72 114.93 115.51 2hpt h MET 746 Ca -0.04 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.75 2hpt h MET 746 Cb 1.35 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.91 2hpt h MET 746 CO 0.15 0.22 0.61 -0.44 1.06 0.00 0.00 176.91 178.51 2hpt h ASP 747 N 0.00 0.84 -0.93 1.22 3.32 -0.67 0.16 116.42 120.35 2hpt h ASP 747 Ca -0.00 0.07 0.06 0.00 0.02 0.00 0.00 57.03 57.18 2hpt h ASP 747 Cb 0.43 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 2hpt h ASP 747 CO 0.03 0.38 0.60 0.11 -1.72 0.00 0.00 179.24 178.64 2hpt h LYS 748 N 0.87 1.07 -0.13 3.56 1.57 -1.59 -1.55 116.57 120.38 2hpt h LYS 748 Ca 0.53 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 59.15 2hpt h LYS 748 Cb 0.66 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2hpt h LYS 748 CO -0.32 0.71 -0.28 2.35 -0.57 0.00 0.00 179.45 181.34 2hpt h TRP 749 N 1.10 0.52 -0.87 -1.35 7.01 -1.35 -2.56 115.95 118.45 2hpt h TRP 749 Ca 0.40 -0.20 0.08 0.00 2.11 0.00 0.00 58.89 61.28 2hpt h TRP 749 Cb 0.12 -0.10 -0.06 0.00 -2.10 0.00 0.00 29.16 27.03 2hpt h TRP 749 CO -0.01 0.90 0.57 0.74 -2.79 0.00 0.00 178.44 177.84 2hpt h PHE 750 N 0.00 0.97 -0.51 2.65 0.04 -0.63 -1.04 116.94 118.41 2hpt h PHE 750 Ca 0.00 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 2hpt h PHE 750 Cb 0.88 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 2hpt h PHE 750 CO 0.10 0.48 0.19 0.82 -0.60 0.00 0.00 178.31 179.31 2hpt h ILE 751 N 0.93 1.22 -0.66 -0.55 2.04 -1.00 0.11 117.51 119.60 2hpt h ILE 751 Ca 0.39 -0.71 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 2hpt h ILE 751 Cb 0.29 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 2hpt h ILE 751 CO -0.15 0.27 0.11 -0.07 0.00 0.00 0.00 178.15 178.30 2hpt h LEU 752 N 0.69 1.04 -0.19 1.44 3.38 -1.03 -1.38 115.31 119.27 2hpt h LEU 752 Ca 0.17 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2hpt h LEU 752 Cb 0.23 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2hpt h LEU 752 CO -0.01 1.03 0.07 1.56 0.09 0.00 0.00 178.44 181.19 2hpt h GLN 753 N 1.02 0.28 -0.27 1.13 1.08 -1.01 -2.83 115.11 114.51 2hpt h GLN 753 Ca 0.20 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.31 2hpt h GLN 753 Cb 0.44 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 2hpt h GLN 753 CO 0.01 0.35 0.00 0.00 -0.95 0.00 0.00 178.83 178.25 2hpt h ALA 754 N 0.91 1.51 -0.50 3.87 0.00 -0.55 -2.76 119.26 121.74 2hpt h ALA 754 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2hpt h ALA 754 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2hpt h ALA 754 CO -0.00 0.36 0.00 0.25 0.00 0.00 0.00 179.25 179.85 2hpt n THR 755 N -4.33 2.50 -2.27 0.00 -2.24 -0.54 -4.21 114.28 103.19 2hpt n THR 755 Ca 0.01 -1.51 -0.39 0.00 -2.27 0.00 0.00 64.05 59.90 2hpt n THR 755 Cb 0.21 -0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.22 2hpt n THR 755 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2hpt s SER 756 N -1.12 6.55 0.00 3.42 0.15 -1.04 -4.93 113.70 116.73 2hpt s SER 756 Ca 0.50 2.39 0.30 0.00 0.70 0.00 0.00 55.95 59.85 2hpt s SER 756 Cb 0.38 -2.62 1.67 0.00 -1.71 0.00 0.00 66.02 63.74 2hpt s SER 756 CO 0.15 -0.66 2.09 -0.81 1.20 0.00 0.00 173.24 175.21 2hpt n PRO 757 N 0.17 1.16 -1.63 5.44 -0.04 -1.26 -4.85 135.00 133.99 2hpt n PRO 757 Ca 0.04 -0.23 -0.40 0.00 -0.04 0.00 0.00 63.50 62.86 2hpt n PRO 757 Cb 0.46 -1.49 0.02 0.00 -0.04 0.00 0.00 33.50 32.45 2hpt n PRO 757 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2hpt n ALA 758 N -0.71 0.42 0.10 0.55 0.00 -1.26 -4.89 120.51 114.73 2hpt n ALA 758 Ca 0.22 0.19 0.05 0.00 0.00 0.00 0.00 53.44 53.90 2hpt n ALA 758 Cb 0.17 -2.13 0.50 0.00 0.00 0.00 0.00 19.45 17.98 2hpt n ALA 758 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hpt h ALA 759 N 1.44 1.79 -0.65 0.00 0.00 -2.04 -2.75 119.26 117.04 2hpt h ALA 759 Ca -0.46 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.27 2hpt h ALA 759 Cb 1.33 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 2hpt h ALA 759 CO 0.56 0.19 0.18 0.27 0.00 0.00 0.00 179.25 180.45 2hpt n ASN 760 N -4.48 4.95 -0.29 0.00 6.94 -1.26 -4.70 115.26 116.43 2hpt n ASN 760 Ca 0.01 -3.06 0.07 0.00 -0.02 0.00 0.00 54.58 51.58 2hpt n ASN 760 Cb 0.09 -0.72 0.22 0.00 -2.36 0.00 0.00 39.78 37.02 2hpt n ASN 760 CO 0.00 0.00 0.00 1.62 -1.03 0.00 0.00 177.26 177.85 2hpt h VAL 761 N 2.93 0.68 -0.39 3.53 3.04 -1.81 -1.91 116.25 122.31 2hpt h VAL 761 Ca 0.17 -0.19 -0.07 0.00 -1.01 0.00 0.00 66.70 65.61 2hpt h VAL 761 Cb 2.15 0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 31.50 2hpt h VAL 761 CO 0.63 0.10 -0.02 0.25 -1.01 0.00 0.00 177.57 177.52 2hpt h LEU 762 N 0.54 0.69 -0.70 3.16 5.85 -1.88 -0.30 115.31 122.67 2hpt h LEU 762 Ca 0.46 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.91 2hpt h LEU 762 Cb 0.70 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.49 2hpt h LEU 762 CO -0.39 0.85 0.41 -0.08 -0.34 0.00 0.00 178.44 178.88 2hpt h GLU 763 N 0.51 0.74 -0.46 1.25 4.81 -1.83 0.08 114.58 119.68 2hpt h GLU 763 Ca 0.11 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2hpt h GLU 763 Cb 0.51 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2hpt h GLU 763 CO 0.02 0.49 0.10 1.15 -0.73 0.00 0.00 179.01 180.05 2hpt h THR 764 N 0.76 1.24 -0.27 0.32 2.02 -1.04 -2.03 112.91 113.91 2hpt h THR 764 Ca 0.31 -0.84 0.01 0.00 0.77 0.00 0.00 66.41 66.66 2hpt h THR 764 Cb 0.15 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 2hpt h THR 764 CO -0.16 0.30 0.16 0.58 0.37 0.00 0.00 175.52 176.76 2hpt h VAL 765 N 0.61 1.04 -0.64 3.16 2.07 -0.71 -1.61 116.25 120.17 2hpt h VAL 765 Ca 0.14 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.58 2hpt h VAL 765 Cb 0.34 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 2hpt h VAL 765 CO 0.00 0.06 0.38 0.03 0.02 0.00 0.00 177.57 178.07 2hpt h ARG 766 N 0.33 0.72 -0.30 1.57 3.08 -0.95 -2.21 114.38 116.63 2hpt h ARG 766 Ca 0.10 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2hpt h ARG 766 Cb -0.02 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2hpt h ARG 766 CO -0.04 0.48 0.05 0.78 -1.07 0.00 0.00 179.97 180.16 2hpt h GLY 767 N 0.75 0.46 2.00 0.04 0.00 -1.07 -2.56 103.07 102.69 2hpt h GLY 767 Ca 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2hpt h GLY 767 CO -0.12 0.23 0.00 1.41 0.00 0.00 0.00 176.54 178.06 2hpt h LEU 768 N 0.43 0.00 -2.12 3.11 3.38 -0.67 -1.91 115.31 117.53 2hpt h LEU 768 Ca 0.10 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2hpt h LEU 768 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2hpt h LEU 768 CO 0.00 0.00 0.31 -0.07 0.09 0.00 0.00 178.44 178.77 2hpt h LEU 769 N 0.00 0.00 -2.13 1.67 3.38 -1.26 -0.98 115.31 115.99 2hpt h LEU 769 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2hpt h LEU 769 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2hpt h LEU 769 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 2hpt n GLN 770 N -3.52 2.39 -2.03 1.13 1.13 -0.72 -4.89 117.38 110.87 2hpt n GLN 770 Ca 0.03 -2.10 -0.39 0.00 -1.94 0.00 0.00 57.00 52.60 2hpt n GLN 770 Cb 0.44 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.30 2hpt n GLN 770 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2hpt s HIS 771 N -1.52 2.71 0.49 1.08 2.46 -0.37 -4.92 115.29 115.22 2hpt s HIS 771 Ca 0.38 1.42 0.25 0.00 0.47 0.00 0.00 55.06 57.59 2hpt s HIS 771 Cb 0.22 -3.64 1.31 0.00 -0.13 0.00 0.00 32.58 30.34 2hpt s HIS 771 CO 0.31 -2.16 1.87 0.07 -2.47 0.00 0.00 174.74 172.37 2hpt h ARG 772 N 2.27 0.17 -0.00 2.88 0.11 -1.95 -1.57 114.38 116.28 2hpt h ARG 772 Ca -0.50 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.57 2hpt h ARG 772 Cb 1.26 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.30 2hpt h ARG 772 CO 0.61 0.11 -0.45 0.43 0.10 0.00 0.00 179.97 180.77 2hpt n SER 773 N -4.38 0.95 -4.84 0.08 7.64 -1.26 -4.93 113.62 106.87 2hpt n SER 773 Ca 0.19 -0.75 -0.36 0.00 1.01 0.00 0.00 58.87 58.96 2hpt n SER 773 Cb 0.85 0.31 -0.06 0.00 -1.01 0.00 0.00 64.21 64.30 2hpt n SER 773 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2hpt s PHE 774 N -2.73 3.67 -0.12 1.43 5.36 -0.59 -4.91 117.98 120.08 2hpt s PHE 774 Ca 0.17 0.97 -0.10 0.00 -0.96 0.00 0.00 56.93 57.01 2hpt s PHE 774 Cb 0.18 -2.29 0.04 0.00 -0.34 0.00 0.00 43.02 40.61 2hpt s PHE 774 CO 0.63 0.56 0.32 -0.08 -1.46 0.00 0.00 175.22 175.18 2hpt s THR 775 N -1.26 -0.01 0.08 0.12 -1.32 -1.26 -4.78 115.64 107.21 2hpt s THR 775 Ca 0.30 0.03 0.31 0.00 -1.21 0.00 0.00 61.69 61.12 2hpt s THR 775 Cb -0.16 -0.46 0.32 0.00 -1.51 0.00 0.00 72.50 70.70 2hpt s THR 775 CO 0.16 0.01 1.95 0.24 -2.21 0.00 0.00 174.62 174.77 2hpt h MET 776 N 5.96 0.00 0.00 7.08 2.86 -1.97 -2.64 114.93 126.22 2hpt h MET 776 Ca -0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 2hpt h MET 776 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2hpt h MET 776 CO 0.31 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 177.15 2hpt n SER 777 N -2.63 0.00 -4.11 1.22 3.41 -1.26 -4.74 113.62 105.50 2hpt n SER 777 Ca -0.01 0.44 -0.33 0.00 -0.26 0.00 0.00 58.87 58.70 2hpt n SER 777 Cb 0.11 -0.48 -0.15 0.00 -0.26 0.00 0.00 64.21 63.44 2hpt n SER 777 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2hpt s ASN 778 N -2.96 4.39 0.29 4.04 3.84 -1.00 -5.01 114.94 118.53 2hpt s ASN 778 Ca 0.15 -1.22 0.03 0.00 0.21 0.00 0.00 52.86 52.03 2hpt s ASN 778 Cb 0.19 -1.59 0.63 0.00 -0.55 0.00 0.00 41.25 39.92 2hpt s ASN 778 CO 0.51 -0.18 1.80 -0.65 -2.79 0.00 0.00 177.10 175.80 2hpt h PRO 779 N 7.87 0.83 -0.25 0.43 0.11 -1.85 -1.30 132.00 137.85 2hpt h PRO 779 Ca -0.24 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.85 2hpt h PRO 779 Cb 1.06 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 31.96 2hpt h PRO 779 CO 0.51 0.55 0.08 -0.91 -0.21 0.00 0.00 178.00 178.02 2hpt h ASN 780 N 0.86 0.08 -0.54 -2.05 2.35 -1.86 -0.13 115.58 114.28 2hpt h ASN 780 Ca 0.53 0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 56.24 2hpt h ASN 780 Cb 0.68 0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.04 2hpt h ASN 780 CO -0.32 0.08 0.08 0.03 -1.65 0.00 0.00 177.43 175.65 2hpt h ARG 781 N 0.19 0.95 -0.03 0.81 2.47 -1.56 -0.67 114.38 116.54 2hpt h ARG 781 Ca 0.11 -0.24 -0.00 0.00 -1.26 0.00 0.00 59.98 58.59 2hpt h ARG 781 Cb 0.08 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 28.28 2hpt h ARG 781 CO -0.12 0.88 0.01 0.82 0.56 0.00 0.00 179.97 182.13 2hpt h ILE 782 N 0.89 1.10 -0.57 2.04 2.04 -1.01 -2.05 117.51 119.95 2hpt h ILE 782 Ca 0.18 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 2hpt h ILE 782 Cb 0.41 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 2hpt h ILE 782 CO 0.01 0.08 0.09 0.03 0.00 0.00 0.00 178.15 178.36 2hpt h ARG 783 N -0.08 0.92 0.00 2.37 3.08 -0.87 0.26 114.38 120.06 2hpt h ARG 783 Ca 0.01 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 59.71 2hpt h ARG 783 Cb 0.12 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2hpt h ARG 783 CO -0.00 0.86 -0.59 0.77 -1.07 0.00 0.00 179.97 179.94 2hpt h SER 784 N 0.87 0.00 0.00 7.04 0.02 -0.98 -1.14 113.55 119.36 2hpt h SER 784 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2hpt h SER 784 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2hpt h SER 784 CO 0.01 0.59 -0.61 -0.11 -1.14 0.00 0.00 176.83 175.56 2hpt n LEU 785 N -3.71 1.39 -0.03 5.07 7.94 -0.78 -2.56 117.00 124.32 2hpt n LEU 785 Ca -0.01 0.23 -0.15 0.00 -1.11 0.00 0.00 56.01 54.97 2hpt n LEU 785 Cb 0.61 -0.59 -0.12 0.00 0.53 0.00 0.00 43.42 43.85 2hpt n LEU 785 CO 0.41 -0.41 0.38 0.40 -1.11 0.00 0.00 177.39 177.07 2hpt h ILE 786 N -0.61 1.60 -0.66 1.96 2.04 -0.71 -2.87 117.51 118.26 2hpt h ILE 786 Ca 0.00 -2.04 -0.02 0.00 1.00 0.00 0.00 64.86 63.80 2hpt h ILE 786 Cb 0.61 2.92 -0.03 0.00 -0.74 0.00 0.00 36.82 39.59 2hpt h ILE 786 CO 0.00 0.55 0.31 1.23 0.00 0.00 0.00 178.15 180.24 2hpt h GLY 787 N -0.62 1.00 1.21 5.37 0.00 -1.08 -2.07 103.07 106.87 2hpt h GLY 787 Ca -0.03 -0.48 -0.16 0.00 0.00 0.00 0.00 47.33 46.66 2hpt h GLY 787 CO 0.04 0.45 -0.44 0.00 0.00 0.00 0.00 176.54 176.60 2hpt h ALA 788 N 1.41 0.60 0.66 3.60 0.00 -1.31 -0.21 119.26 124.01 2hpt h ALA 788 Ca 0.23 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2hpt h ALA 788 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2hpt h ALA 788 CO -0.03 0.68 -0.34 0.35 0.00 0.00 0.00 179.25 179.91 2hpt h PHE 789 N 0.68 -0.89 -0.43 0.00 3.57 -1.26 0.23 116.94 118.85 2hpt h PHE 789 Ca 0.04 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 2hpt h PHE 789 Cb 1.02 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 2hpt h PHE 789 CO 0.06 -0.54 -0.20 0.00 -2.23 0.00 0.00 178.31 175.40 2hpt h ALA 790 N -0.59 0.83 0.00 2.41 0.00 -1.39 -2.20 119.26 118.32 2hpt h ALA 790 Ca -0.09 -0.37 -0.32 0.00 0.00 0.00 0.00 54.91 54.13 2hpt h ALA 790 Cb 0.72 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 2hpt h ALA 790 CO 0.13 0.65 -2.09 0.41 0.00 0.00 0.00 179.25 178.34 2hpt n GLY 791 N -0.22 -1.01 0.16 0.00 0.00 -0.09 -4.52 105.19 99.51 2hpt n GLY 791 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.81 2hpt n GLY 791 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hpt n SER 792 N -2.83 1.60 -2.93 1.61 7.64 0.75 -4.54 113.62 114.92 2hpt n SER 792 Ca -0.25 -1.41 -0.26 0.00 1.01 0.00 0.00 58.87 57.96 2hpt n SER 792 Cb 1.08 -0.02 -0.04 0.00 -1.01 0.00 0.00 64.21 64.22 2hpt n SER 792 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2hpt n ASN 793 N 0.08 4.18 -0.26 6.43 2.85 -0.83 -4.82 115.26 122.89 2hpt n ASN 793 Ca 0.03 -3.63 0.23 0.00 -0.11 0.00 0.00 54.58 51.10 2hpt n ASN 793 Cb 0.15 -0.56 0.57 0.00 1.24 0.00 0.00 39.78 41.19 2hpt n ASN 793 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2hpt h PRO 794 N 2.95 0.29 -0.82 1.20 0.13 -1.79 0.17 132.00 134.13 2hpt h PRO 794 Ca 0.14 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.22 2hpt h PRO 794 Cb 0.58 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.60 2hpt h PRO 794 CO 0.79 0.19 0.38 0.00 -0.23 0.00 0.00 178.00 179.13 2hpt h ALA 795 N 1.59 1.06 0.14 -0.56 0.00 -1.93 -0.68 119.26 118.87 2hpt h ALA 795 Ca 0.51 -0.17 -0.32 0.00 0.00 0.00 0.00 54.91 54.93 2hpt h ALA 795 Cb 1.46 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2hpt h ALA 795 CO -0.17 0.64 -1.62 0.00 0.00 0.00 0.00 179.25 178.10 2hpt h ALA 796 N 1.20 0.26 -0.82 0.00 0.00 -1.58 -3.04 119.26 115.27 2hpt h ALA 796 Ca 0.28 -1.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.05 2hpt h ALA 796 Cb 0.15 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2hpt h ALA 796 CO -0.03 1.13 0.51 0.35 0.00 0.00 0.00 179.25 181.20 2hpt h PHE 797 N 0.08 1.06 -0.79 0.00 3.57 -0.62 -1.16 116.94 119.08 2hpt h PHE 797 Ca -0.28 0.01 -0.40 0.00 3.53 0.00 0.00 57.97 60.83 2hpt h PHE 797 Cb 2.04 -0.35 -0.24 0.00 2.79 0.00 0.00 35.95 40.19 2hpt h PHE 797 CO 0.07 0.69 0.50 0.72 -2.23 0.00 0.00 178.31 178.07 2hpt n HIS 798 N -4.38 2.46 -1.49 0.41 8.25 -0.27 -3.65 115.22 116.54 2hpt n HIS 798 Ca 0.09 -1.54 -0.47 0.00 -0.26 0.00 0.00 57.72 55.54 2hpt n HIS 798 Cb 0.05 -0.80 -0.03 0.00 1.12 0.00 0.00 29.99 30.34 2hpt n HIS 798 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hpt n ALA 799 N -0.76 -1.65 0.17 -1.41 0.00 -0.44 -4.88 120.51 111.54 2hpt n ALA 799 Ca 0.47 0.42 0.04 0.00 0.00 0.00 0.00 53.44 54.37 2hpt n ALA 799 Cb 1.43 -1.81 0.43 0.00 0.00 0.00 0.00 19.45 19.50 2hpt n ALA 799 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2hpt h GLU 800 N 1.61 0.12 0.00 0.00 5.08 -1.91 -1.56 114.58 117.93 2hpt h GLU 800 Ca -0.34 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2hpt h GLU 800 Cb 1.39 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.62 2hpt h GLU 800 CO 0.59 0.30 0.00 -0.40 -1.00 0.00 0.00 179.01 178.51 2hpt n ASP 801 N -4.28 0.00 -0.12 1.42 5.68 -1.26 -4.87 116.55 113.12 2hpt n ASP 801 Ca -0.01 -0.31 -0.02 0.00 -0.50 0.00 0.00 54.79 53.95 2hpt n ASP 801 Cb 0.27 -0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 40.16 2hpt n ASP 801 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2hpt n GLY 802 N -0.07 0.41 0.27 6.12 0.00 -0.59 -4.90 105.19 106.43 2hpt n GLY 802 Ca 0.10 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2hpt n GLY 802 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2hpt h SER 803 N 0.00 0.36 -0.49 1.61 4.64 -1.89 -2.80 113.55 114.98 2hpt h SER 803 Ca -0.03 -0.05 0.01 0.00 -0.47 0.00 0.00 61.79 61.24 2hpt h SER 803 Cb 0.48 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 2hpt h SER 803 CO 0.05 0.42 0.32 1.23 -0.87 0.00 0.00 176.83 177.98 2hpt h GLY 804 N 0.70 0.70 1.00 -0.77 0.00 -1.76 -1.83 103.07 101.11 2hpt h GLY 804 Ca 0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 2hpt h GLY 804 CO 0.01 0.24 0.13 -0.97 0.00 0.00 0.00 176.54 175.94 2hpt h TYR 805 N 0.65 0.95 -0.55 5.60 0.05 -1.58 -2.12 116.97 119.96 2hpt h TYR 805 Ca 0.19 -0.12 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 2hpt h TYR 805 Cb -0.05 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.40 2hpt h TYR 805 CO -0.05 0.82 0.09 -0.07 -1.05 0.00 0.00 178.16 177.90 2hpt h LEU 806 N 0.80 0.88 -0.10 3.88 3.38 -1.44 -0.67 115.31 122.04 2hpt h LEU 806 Ca 0.17 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.91 2hpt h LEU 806 Cb 0.35 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2hpt h LEU 806 CO 0.00 0.92 -0.08 0.15 0.09 0.00 0.00 178.44 179.52 2hpt h PHE 807 N 0.81 -0.20 -0.76 1.13 3.57 -1.20 -2.37 116.94 117.91 2hpt h PHE 807 Ca 0.17 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2hpt h PHE 807 Cb 0.42 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 2hpt h PHE 807 CO 0.03 -0.13 0.35 1.25 -2.23 0.00 0.00 178.31 177.58 2hpt h LEU 808 N -0.10 1.00 -0.74 0.59 5.85 -1.10 -1.95 115.31 118.86 2hpt h LEU 808 Ca 0.07 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.70 2hpt h LEU 808 Cb 0.20 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 2hpt h LEU 808 CO -0.16 0.85 0.47 0.58 -0.34 0.00 0.00 178.44 179.84 2hpt h VAL 809 N 1.09 1.10 -0.43 1.05 2.07 -0.89 0.30 116.25 120.54 2hpt h VAL 809 Ca 0.26 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2hpt h VAL 809 Cb 0.13 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 2hpt h VAL 809 CO -0.03 0.17 0.25 -0.08 0.02 0.00 0.00 177.57 177.90 2hpt h GLU 810 N 0.91 0.59 -0.53 1.57 4.81 -0.86 0.15 114.58 121.22 2hpt h GLU 810 Ca 0.30 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.36 2hpt h GLU 810 Cb 0.02 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2hpt h GLU 810 CO -0.11 0.45 -0.09 0.52 -0.73 0.00 0.00 179.01 179.04 2hpt h MET 811 N 0.57 0.99 0.00 1.92 2.86 -0.87 -2.73 114.93 117.66 2hpt h MET 811 Ca 0.15 -0.35 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 2hpt h MET 811 Cb 0.02 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2hpt h MET 811 CO -0.03 1.03 -0.21 -0.07 1.06 0.00 0.00 176.91 178.69 2hpt h LEU 812 N 0.88 0.00 -0.69 1.22 3.38 -0.60 -1.75 115.31 117.75 2hpt h LEU 812 Ca 0.14 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2hpt h LEU 812 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2hpt h LEU 812 CO 0.04 0.21 -0.21 0.74 0.09 0.00 0.00 178.44 179.31 2hpt h THR 813 N 0.00 1.27 0.07 0.22 2.02 -0.41 0.56 112.91 116.64 2hpt h THR 813 Ca -0.00 -1.32 -0.00 0.00 0.77 0.00 0.00 66.41 65.86 2hpt h THR 813 Cb 0.99 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.58 2hpt h THR 813 CO 0.03 0.44 -0.03 -0.78 0.37 0.00 0.00 175.52 175.55 2hpt h ASP 814 N 0.70 -0.08 1.03 4.18 1.82 -1.22 -3.34 116.42 119.51 2hpt h ASP 814 Ca 0.10 -0.31 -0.14 0.00 -0.39 0.00 0.00 57.03 56.28 2hpt h ASP 814 Cb 0.72 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.73 2hpt h ASP 814 CO 0.06 0.28 -0.68 -0.07 -1.61 0.00 0.00 179.24 177.22 2hpt h LEU 815 N -0.44 0.00 -1.14 2.28 3.38 -1.20 -2.16 115.31 116.03 2hpt h LEU 815 Ca -0.01 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.14 2hpt h LEU 815 Cb 0.39 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 2hpt h LEU 815 CO 0.02 0.68 0.61 -1.13 0.09 0.00 0.00 178.44 178.70 2hpt h ASN 816 N 0.00 0.72 0.24 -0.43 -1.24 -1.01 0.18 115.58 114.04 2hpt h ASN 816 Ca -0.01 0.07 -0.34 0.00 0.71 0.00 0.00 56.30 56.73 2hpt h ASN 816 Cb 1.38 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 40.35 2hpt h ASN 816 CO 0.09 0.30 -1.85 0.28 -1.29 0.00 0.00 177.43 174.96 2hpt h SER 817 N 0.73 0.40 0.02 1.15 0.02 -1.61 -3.37 113.55 110.88 2hpt h SER 817 Ca 0.53 -0.76 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2hpt h SER 817 Cb 0.87 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.28 2hpt h SER 817 CO -0.30 1.67 -0.01 -0.09 -1.14 0.00 0.00 176.83 176.96 2hpt h ARG 818 N 0.07 -0.03 -1.08 3.45 2.43 -1.19 -3.44 114.38 114.58 2hpt h ARG 818 Ca -0.36 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.61 2hpt h ARG 818 Cb 2.04 0.01 -0.18 0.00 -0.42 0.00 0.00 29.97 31.42 2hpt h ARG 818 CO 0.12 0.58 -0.54 -1.71 -1.51 0.00 0.00 179.97 176.90 2hpt n ASN 819 N -4.80 -3.11 0.05 -3.80 2.85 0.62 -2.56 115.26 104.50 2hpt n ASN 819 Ca -0.09 -2.89 0.17 0.00 -0.11 0.00 0.00 54.58 51.66 2hpt n ASN 819 Cb 0.31 1.52 0.66 0.00 1.24 0.00 0.00 39.78 43.51 2hpt n ASN 819 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2hpt h PRO 820 N 5.00 0.04 -0.36 1.20 0.11 -1.68 -1.43 132.00 134.87 2hpt h PRO 820 Ca 0.07 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.04 2hpt h PRO 820 Cb 1.08 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2hpt h PRO 820 CO 0.07 0.03 -0.31 1.96 -0.21 0.00 0.00 178.00 179.53 2hpt h GLN 821 N 0.05 0.85 -0.53 1.05 4.20 -1.88 -0.14 115.11 118.72 2hpt h GLN 821 Ca 0.20 -0.43 -0.09 0.00 0.06 0.00 0.00 58.65 58.39 2hpt h GLN 821 Cb 0.74 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 2hpt h GLN 821 CO -0.01 1.08 -0.02 0.28 -0.67 0.00 0.00 178.83 179.49 2hpt h VAL 822 N 0.65 1.27 -0.60 -0.54 2.07 -1.84 -2.77 116.25 114.49 2hpt h VAL 822 Ca 0.06 -1.13 0.11 0.00 0.82 0.00 0.00 66.70 66.57 2hpt h VAL 822 Cb 0.90 0.93 -0.09 0.00 -1.52 0.00 0.00 31.29 31.51 2hpt h VAL 822 CO 0.08 0.40 0.12 0.00 0.02 0.00 0.00 177.57 178.19 2hpt h ALA 823 N 0.94 0.70 0.00 1.67 0.00 -1.05 -1.45 119.26 120.07 2hpt h ALA 823 Ca 0.15 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 2hpt h ALA 823 Cb 0.56 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2hpt h ALA 823 CO 0.03 -0.31 -0.42 1.03 0.00 0.00 0.00 179.25 179.58 2hpt h SER 824 N 0.25 0.00 -0.21 0.00 0.87 -0.96 -0.76 113.55 112.73 2hpt h SER 824 Ca 0.31 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.82 2hpt h SER 824 Cb 0.47 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2hpt h SER 824 CO -0.41 0.42 -0.10 0.03 -0.53 0.00 0.00 176.83 176.24 2hpt h ARG 825 N 0.00 0.43 0.00 2.24 3.08 -1.17 -3.26 114.38 115.71 2hpt h ARG 825 Ca -0.00 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 2hpt h ARG 825 Cb 1.05 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 2hpt h ARG 825 CO 0.05 0.72 -0.19 -0.07 -1.07 0.00 0.00 179.97 179.41 2hpt h LEU 826 N 0.14 0.00 -0.86 3.04 4.07 -0.94 -3.15 115.31 117.60 2hpt h LEU 826 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 2hpt h LEU 826 Cb 0.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.33 2hpt h LEU 826 CO 0.03 0.19 0.00 -0.29 -1.08 0.00 0.00 178.44 177.29 2hpt h ILE 827 N 0.00 0.00 -0.84 1.22 2.10 -1.18 -3.37 117.51 115.44 2hpt h ILE 827 Ca -0.00 -0.61 0.20 0.00 1.08 0.00 0.00 64.86 65.53 2hpt h ILE 827 Cb 0.45 1.58 -0.12 0.00 -1.09 0.00 0.00 36.82 37.64 2hpt h ILE 827 CO 0.02 0.00 0.31 -0.08 -1.08 0.00 0.00 178.15 177.33 2hpt h GLU 828 N 0.00 0.34 -0.06 2.19 4.57 -1.67 0.27 114.58 120.22 2hpt h GLU 828 Ca 0.00 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.18 2hpt h GLU 828 Cb 0.65 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2hpt h GLU 828 CO 0.00 0.22 0.09 -1.35 -1.18 0.00 0.00 179.01 176.79 2hpt h PRO 829 N 0.35 0.00 0.00 0.92 0.11 -1.84 -2.34 132.00 129.20 2hpt h PRO 829 Ca 0.51 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.47 2hpt h PRO 829 Cb 0.94 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 2hpt h PRO 829 CO -0.53 0.00 -1.03 1.25 -0.21 0.00 0.00 178.00 177.48 2hpt h LEU 830 N 0.00 0.00 -0.07 2.35 5.85 -0.76 -3.22 115.31 119.46 2hpt h LEU 830 Ca 0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2hpt h LEU 830 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2hpt h LEU 830 CO -0.00 0.61 -0.02 2.30 -0.34 0.00 0.00 178.44 180.99 2hpt n ILE 831 N -3.07 0.00 1.02 4.05 -5.35 -0.88 -3.19 119.36 111.93 2hpt n ILE 831 Ca -0.04 -0.02 0.03 0.00 -0.27 0.00 0.00 62.75 62.44 2hpt n ILE 831 Cb 0.82 -0.39 0.10 0.00 -1.74 0.00 0.00 39.64 38.43 2hpt n ILE 831 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2hpt n ARG 832 N -1.11 1.70 -0.22 6.28 5.12 -1.22 -4.57 116.66 122.65 2hpt n ARG 832 Ca 0.17 -0.77 0.26 0.00 -1.93 0.00 0.00 57.85 55.58 2hpt n ARG 832 Cb 0.22 -1.38 0.66 0.00 -1.16 0.00 0.00 32.46 30.80 2hpt n ARG 832 CO 0.00 0.00 0.00 1.37 -1.93 0.00 0.00 177.63 177.07 2hpt h LEU 833 N 1.13 0.14 -0.32 0.55 -0.00 -1.79 -1.06 115.31 113.97 2hpt h LEU 833 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2hpt h LEU 833 Cb 0.52 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 2hpt h LEU 833 CO 0.05 0.05 0.00 0.29 -0.00 0.00 0.00 178.44 178.83 2hpt n LYS 834 N -4.35 0.08 0.00 0.17 4.01 -1.26 -2.14 118.16 114.67 2hpt n LYS 834 Ca 0.20 0.34 0.13 0.00 -0.51 0.00 0.00 58.31 58.47 2hpt n LYS 834 Cb 0.91 -1.66 0.44 0.00 -0.51 0.00 0.00 35.03 34.21 2hpt n LYS 834 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2hpt n ARG 835 N -1.81 0.08 -3.92 1.97 5.12 -0.40 -4.94 116.66 112.75 2hpt n ARG 835 Ca 0.03 -0.03 -0.22 0.00 -1.93 0.00 0.00 57.85 55.70 2hpt n ARG 835 Cb 0.18 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 29.94 2hpt n ARG 835 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2hpt s TYR 836 N -2.94 2.80 0.95 -1.55 2.02 -0.91 0.11 117.35 117.82 2hpt s TYR 836 Ca 0.14 -0.36 -0.11 0.00 -0.37 0.00 0.00 57.07 56.37 2hpt s TYR 836 Cb 0.18 -1.77 0.16 0.00 -0.40 0.00 0.00 41.96 40.14 2hpt s TYR 836 CO 0.61 0.22 1.09 0.16 -1.57 0.00 0.00 175.55 176.06 2hpt s ASP 837 N -3.94 2.95 0.21 2.29 -4.77 -1.26 -4.60 116.67 107.55 2hpt s ASP 837 Ca 0.40 1.62 -0.08 0.00 -3.30 0.00 0.00 52.55 51.18 2hpt s ASP 837 Cb -0.04 -2.27 0.15 0.00 -1.09 0.00 0.00 42.92 39.68 2hpt s ASP 837 CO 0.25 -2.99 1.79 0.00 0.70 0.00 0.00 175.17 174.92 2hpt h ALA 838 N -1.79 1.01 -0.57 2.11 0.00 -1.99 0.24 119.26 118.27 2hpt h ALA 838 Ca -0.50 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.29 2hpt h ALA 838 Cb 1.29 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2hpt h ALA 838 CO 0.52 0.60 0.29 0.87 0.00 0.00 0.00 179.25 181.52 2hpt h LYS 839 N 1.12 0.53 -0.15 0.00 1.57 -2.00 -1.96 116.57 115.68 2hpt h LYS 839 Ca 0.27 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 2hpt h LYS 839 Cb 0.16 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2hpt h LYS 839 CO -0.03 0.35 0.03 0.00 -0.57 0.00 0.00 179.45 179.23 2hpt h ARG 840 N 0.54 0.24 -0.99 3.15 3.08 -1.71 -2.81 114.38 115.88 2hpt h ARG 840 Ca 0.26 -0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.36 2hpt h ARG 840 Cb 0.18 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.12 2hpt h ARG 840 CO -0.18 0.41 0.63 1.96 -1.07 0.00 0.00 179.97 181.72 2hpt h GLN 841 N 0.03 0.94 -0.62 0.04 4.20 -0.87 -0.51 115.11 118.32 2hpt h GLN 841 Ca 0.04 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 2hpt h GLN 841 Cb 0.29 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 2hpt h GLN 841 CO 0.00 0.62 0.15 1.49 -0.67 0.00 0.00 178.83 180.43 2hpt h GLU 842 N 0.97 0.99 -0.34 1.46 4.57 -1.27 0.15 114.58 121.12 2hpt h GLU 842 Ca 0.49 -0.24 -0.15 0.00 -1.18 0.00 0.00 59.36 58.28 2hpt h GLU 842 Cb 0.50 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 2hpt h GLU 842 CO -0.26 0.90 -0.38 0.87 -1.18 0.00 0.00 179.01 178.96 2hpt h LYS 843 N 0.91 0.80 -0.39 1.92 1.57 -1.05 -2.22 116.57 118.11 2hpt h LYS 843 Ca 0.20 -0.41 -0.13 0.00 -1.87 0.00 0.00 60.65 58.43 2hpt h LYS 843 Cb 0.35 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 2hpt h LYS 843 CO 0.00 1.05 -0.28 0.52 -0.57 0.00 0.00 179.45 180.16 2hpt h MET 844 N 0.66 0.88 -0.55 3.15 2.86 -0.88 -1.96 114.93 119.10 2hpt h MET 844 Ca 0.06 -0.42 0.07 0.00 -2.06 0.00 0.00 59.70 57.34 2hpt h MET 844 Cb 0.94 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.54 2hpt h MET 844 CO 0.09 1.07 0.22 -0.09 1.06 0.00 0.00 176.91 179.26 2hpt h ARG 845 N 0.68 0.41 -0.55 1.72 2.43 -0.71 -0.14 114.38 118.23 2hpt h ARG 845 Ca 0.07 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 2hpt h ARG 845 Cb 0.86 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 2hpt h ARG 845 CO 0.08 0.27 0.21 0.00 -1.51 0.00 0.00 179.97 179.01 2hpt h ALA 846 N 1.35 0.71 -0.07 2.80 0.00 -1.19 -0.54 119.26 122.32 2hpt h ALA 846 Ca 0.26 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2hpt h ALA 846 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2hpt h ALA 846 CO -0.24 0.34 -0.05 0.00 0.00 0.00 0.00 179.25 179.30 2hpt h ALA 847 N 1.06 0.01 -0.81 0.00 0.00 -1.09 -1.47 119.26 116.97 2hpt h ALA 847 Ca 0.18 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.18 2hpt h ALA 847 Cb 0.22 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2hpt h ALA 847 CO -0.01 -0.52 0.49 -0.07 0.00 0.00 0.00 179.25 179.14 2hpt h LEU 848 N -0.05 0.77 -0.89 0.00 3.38 -0.71 -1.19 115.31 116.62 2hpt h LEU 848 Ca 0.05 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2hpt h LEU 848 Cb 0.12 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 2hpt h LEU 848 CO -0.10 0.49 0.42 -0.33 0.09 0.00 0.00 178.44 179.01 2hpt h GLU 849 N 0.90 1.22 -0.08 1.13 5.08 -0.93 0.12 114.58 122.02 2hpt h GLU 849 Ca 0.35 -0.17 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 2hpt h GLU 849 Cb 0.17 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 2hpt h GLU 849 CO -0.17 0.93 -0.19 1.96 -1.00 0.00 0.00 179.01 180.53 2hpt h GLN 850 N 1.21 -0.26 -0.63 2.33 1.08 -0.72 -2.54 115.11 115.59 2hpt h GLN 850 Ca 0.29 0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.47 2hpt h GLN 850 Cb 0.10 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 2hpt h GLN 850 CO -0.04 -0.17 0.22 -0.07 -0.95 0.00 0.00 178.83 177.82 2hpt h LEU 851 N -0.26 0.86 -1.78 1.46 3.38 -0.48 -2.58 115.31 115.90 2hpt h LEU 851 Ca 0.08 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2hpt h LEU 851 Cb 0.38 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2hpt h LEU 851 CO -0.24 0.79 -0.16 0.50 0.09 0.00 0.00 178.44 179.42 2hpt h LYS 852 N 0.91 0.00 -0.13 1.13 3.64 -0.68 -2.53 116.57 118.92 2hpt h LYS 852 Ca 0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2hpt h LYS 852 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2hpt h LYS 852 CO -0.01 0.16 0.00 0.41 -2.27 0.00 0.00 179.45 177.73 2hpt n GLY 853 N -0.83 -0.00 3.74 5.01 0.00 -0.97 -4.91 105.19 107.22 2hpt n GLY 853 Ca -0.02 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 2hpt n GLY 853 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hpt s LEU 854 N -1.56 4.36 0.41 0.99 1.43 -0.95 -4.97 118.68 118.39 2hpt s LEU 854 Ca 0.31 2.87 -0.25 0.00 -1.03 0.00 0.00 54.13 56.02 2hpt s LEU 854 Cb 0.16 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.68 2hpt s LEU 854 CO 0.25 -0.90 1.23 -1.83 0.23 0.00 0.00 176.35 175.33 2hpt s GLU 855 N 0.09 3.98 -1.38 1.70 -1.05 -1.26 -3.05 118.70 117.73 2hpt s GLU 855 Ca 0.66 1.98 -0.05 0.00 -0.15 0.00 0.00 54.97 57.41 2hpt s GLU 855 Cb -0.47 -2.69 0.03 0.00 -0.44 0.00 0.00 34.13 30.56 2hpt s GLU 855 CO 0.42 -0.43 0.86 0.09 0.95 0.00 0.00 175.26 177.15 2hpt n ASN 856 N 0.04 -2.89 -4.69 0.83 5.03 -1.26 -4.94 115.26 107.38 2hpt n ASN 856 Ca 0.04 -0.76 -0.42 0.00 0.87 0.00 0.00 54.58 54.31 2hpt n ASN 856 Cb 0.45 -4.18 -0.03 0.00 -1.02 0.00 0.00 39.78 35.00 2hpt n ASN 856 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 2hpt s LEU 857 N -6.91 4.39 0.53 3.41 2.96 -1.17 -4.82 118.68 117.08 2hpt s LEU 857 Ca 0.27 2.67 -0.20 0.00 -0.22 0.00 0.00 54.13 56.65 2hpt s LEU 857 Cb -0.13 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 2hpt s LEU 857 CO 0.80 -0.97 1.10 -0.94 -1.32 0.00 0.00 176.35 175.03 2hpt s SER 858 N 2.72 5.88 0.41 3.68 1.04 -1.26 -4.87 113.70 121.30 2hpt s SER 858 Ca 0.79 2.10 0.10 0.00 0.48 0.00 0.00 55.95 59.42 2hpt s SER 858 Cb -0.44 -2.57 0.92 0.00 0.10 0.00 0.00 66.02 64.03 2hpt s SER 858 CO 0.35 -1.11 2.01 1.23 0.98 0.00 0.00 173.24 176.70 2hpt h GLY 859 N 1.26 0.63 0.77 7.32 0.00 -1.98 -0.64 103.07 110.44 2hpt h GLY 859 Ca -0.50 -0.21 0.03 0.00 0.00 0.00 0.00 47.33 46.66 2hpt h GLY 859 CO 0.57 0.16 0.13 -0.55 0.00 0.00 0.00 176.54 176.85 2hpt h ASP 860 N 0.51 0.16 0.55 0.19 3.32 -1.91 -1.93 116.42 117.31 2hpt h ASP 860 Ca 0.23 0.03 -0.26 0.00 0.02 0.00 0.00 57.03 57.05 2hpt h ASP 860 Cb 0.27 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2hpt h ASP 860 CO -0.06 0.13 -1.15 -0.07 -1.72 0.00 0.00 179.24 176.36 2hpt h LEU 861 N 0.27 0.45 -0.50 1.55 3.38 -1.81 -3.33 115.31 115.32 2hpt h LEU 861 Ca 0.14 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.76 2hpt h LEU 861 Cb 0.09 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 2hpt h LEU 861 CO -0.13 1.31 0.08 0.22 0.09 0.00 0.00 178.44 180.01 2hpt h TYR 862 N 0.12 0.12 -0.22 1.13 3.20 -0.79 -1.14 116.97 119.38 2hpt h TYR 862 Ca -0.12 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.82 2hpt h TYR 862 Cb 1.85 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 40.11 2hpt h TYR 862 CO 0.06 -0.03 0.03 1.49 -1.64 0.00 0.00 178.16 178.07 2hpt h GLU 863 N 0.21 0.11 -0.11 1.82 4.81 -1.46 -1.54 114.58 118.42 2hpt h GLU 863 Ca 0.26 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.40 2hpt h GLU 863 Cb 0.36 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.71 2hpt h GLU 863 CO -0.35 0.08 -0.24 0.87 -0.73 0.00 0.00 179.01 178.64 2hpt h LYS 864 N 0.12 0.36 -0.45 1.92 1.57 -1.59 -2.79 116.57 115.71 2hpt h LYS 864 Ca 0.10 -0.23 0.06 0.00 -1.87 0.00 0.00 60.65 58.70 2hpt h LYS 864 Cb 0.11 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.40 2hpt h LYS 864 CO -0.14 0.83 0.16 0.82 -0.57 0.00 0.00 179.45 180.55 2hpt h ILE 865 N -0.07 0.86 -0.60 1.86 2.04 -1.19 -0.10 117.51 120.31 2hpt h ILE 865 Ca 0.00 -0.11 -0.10 0.00 1.00 0.00 0.00 64.86 65.65 2hpt h ILE 865 Cb 0.83 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2hpt h ILE 865 CO 0.05 0.06 -0.02 0.71 0.00 0.00 0.00 178.15 178.95 2hpt h THR 866 N 0.33 1.27 -0.68 -0.27 1.35 -1.31 0.28 112.91 113.88 2hpt h THR 866 Ca 0.21 -1.18 -0.03 0.00 -0.55 0.00 0.00 66.41 64.85 2hpt h THR 866 Cb 0.20 0.83 -0.03 0.00 -1.73 0.00 0.00 68.15 67.42 2hpt h THR 866 CO -0.21 0.43 0.30 0.11 -0.25 0.00 0.00 175.52 175.90 2hpt h LYS 867 N 0.97 0.99 -0.35 4.72 1.57 -1.32 -2.33 116.57 120.82 2hpt h LYS 867 Ca 0.17 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 2hpt h LYS 867 Cb 0.59 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2hpt h LYS 867 CO 0.04 0.81 -0.29 0.00 -0.57 0.00 0.00 179.45 179.44 2hpt h ALA 868 N 1.14 0.83 -0.00 3.86 0.00 -0.81 -3.14 119.26 121.14 2hpt h ALA 868 Ca 0.23 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2hpt h ALA 868 Cb 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2hpt h ALA 868 CO -0.02 0.64 -0.19 1.28 0.00 0.00 0.00 179.25 180.96 2hpt n LEU 869 N -4.09 0.22 0.00 0.00 4.77 0.07 -4.99 117.00 112.98 2hpt n LEU 869 Ca -0.01 0.27 0.07 0.00 -0.03 0.00 0.00 56.01 56.32 2hpt n LEU 869 Cb 0.47 -0.38 0.43 0.00 -2.33 0.00 0.00 43.42 41.60 2hpt n LEU 869 CO 0.45 0.05 0.63 0.00 -1.33 0.00 0.00 177.39 177.20