#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sml s VAL 3 N 0.00 1.59 0.83 2.62 1.01 -1.26 -5.12 120.40 120.07 1sml s VAL 3 Ca 0.00 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 60.92 1sml s VAL 3 Cb 0.00 -1.66 0.09 0.00 0.00 0.00 0.00 36.38 34.81 1sml s VAL 3 CO 0.00 0.19 1.09 -2.16 0.00 0.00 0.00 175.10 174.22 1sml s PRO 4 N 1.42 1.81 0.71 2.72 0.04 -1.26 -5.01 135.00 135.43 1sml s PRO 4 Ca -0.01 0.83 -0.16 0.00 0.04 0.00 0.00 61.00 61.70 1sml s PRO 4 Cb -0.16 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1sml s PRO 4 CO -0.08 -1.86 1.24 -0.51 0.04 0.00 0.00 177.00 175.83 1sml s LEU 5 N -5.98 3.40 0.60 -3.56 1.43 -1.26 -4.95 118.68 108.35 1sml s LEU 5 Ca 0.62 2.46 -0.19 0.00 -1.03 0.00 0.00 54.13 55.98 1sml s LEU 5 Cb -0.16 -4.60 -0.03 0.00 0.03 0.00 0.00 46.19 41.42 1sml s LEU 5 CO 0.56 -2.21 1.24 -2.16 0.23 0.00 0.00 176.35 174.01 1sml s PRO 6 N -3.72 2.92 0.78 1.29 0.04 -1.26 -5.00 135.00 130.05 1sml s PRO 6 Ca 0.77 1.93 -0.12 0.00 0.04 0.00 0.00 61.00 63.62 1sml s PRO 6 Cb -0.32 -1.96 0.07 0.00 0.04 0.00 0.00 34.50 32.33 1sml s PRO 6 CO 0.43 -1.27 1.15 -0.65 0.04 0.00 0.00 177.00 176.70 1sml s GLN 7 N -3.27 1.93 0.43 4.56 -1.52 -1.26 -4.98 119.66 115.55 1sml s GLN 7 Ca 0.78 1.50 -0.26 0.00 -1.95 0.00 0.00 55.36 55.43 1sml s GLN 7 Cb -0.33 -1.83 -0.08 0.00 -0.22 0.00 0.00 33.01 30.54 1sml s GLN 7 CO 0.36 -1.94 1.38 -0.51 -0.25 0.00 0.00 175.29 174.33 1sml s LEU 8 N -5.73 4.15 -0.24 2.90 1.43 -1.26 -4.99 118.68 114.93 1sml s LEU 8 Ca 0.68 2.82 -0.07 0.00 -1.03 0.00 0.00 54.13 56.53 1sml s LEU 8 Cb -0.23 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.04 1sml s LEU 8 CO 0.51 -1.06 0.06 -0.13 0.23 0.00 0.00 176.35 175.96 1sml s ARG 9 N -2.38 3.65 0.62 1.70 3.00 -1.26 -5.09 118.95 119.19 1sml s ARG 9 Ca 0.60 -0.48 -0.15 0.00 0.00 0.00 0.00 55.73 55.69 1sml s ARG 9 Cb -0.42 -3.29 -0.02 0.00 0.00 0.00 0.00 34.95 31.22 1sml s ARG 9 CO 0.53 -0.15 1.07 0.00 0.00 0.00 0.00 175.30 176.75 1sml s ALA 10 N 1.51 2.68 -0.84 2.13 0.00 -1.26 -4.94 121.76 121.04 1sml s ALA 10 Ca 0.06 0.40 -0.25 0.00 0.00 0.00 0.00 51.96 52.17 1sml s ALA 10 Cb -0.15 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.75 1sml s ALA 10 CO 0.03 -0.94 1.43 -0.47 0.00 0.00 0.00 175.76 175.80 1sml s TYR 11 N -2.47 2.29 0.04 0.00 5.04 -1.26 -4.98 117.35 116.00 1sml s TYR 11 Ca 0.64 -0.23 0.00 0.00 -2.44 0.00 0.00 57.07 55.04 1sml s TYR 11 Cb -0.17 -4.58 -0.04 0.00 0.35 0.00 0.00 41.96 37.52 1sml s TYR 11 CO 0.39 -2.03 0.15 0.95 -1.34 0.00 0.00 175.55 173.68 1sml s THR 12 N 5.98 5.10 0.23 4.34 -4.23 -1.26 -5.11 115.64 120.68 1sml s THR 12 Ca 0.44 -0.43 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1sml s THR 12 Cb -0.05 -3.43 -0.05 0.00 1.34 0.00 0.00 72.50 70.31 1sml s THR 12 CO 0.06 0.21 0.11 0.68 -0.54 0.00 0.00 174.62 175.13 1sml s VAL 13 N -1.39 0.33 0.53 2.29 -7.23 -1.26 -5.13 120.40 108.54 1sml s VAL 13 Ca 0.30 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.26 1sml s VAL 13 Cb -0.13 -2.56 -0.06 0.00 0.56 0.00 0.00 36.38 34.19 1sml s VAL 13 CO 0.22 -0.02 1.13 0.47 -0.31 0.00 0.00 175.10 176.59 1sml n ASP 14 N -0.38 1.63 -0.19 4.85 9.92 -1.26 -4.87 116.55 126.25 1sml n ASP 14 Ca 0.01 0.93 0.08 0.00 -0.53 0.00 0.00 54.79 55.28 1sml n ASP 14 Cb 0.66 -1.45 0.37 0.00 -0.64 0.00 0.00 41.12 40.06 1sml n ASP 14 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sml h ALA 15 N 1.14 1.75 0.00 2.24 0.00 -2.00 -0.96 119.26 121.43 1sml h ALA 15 Ca -0.48 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1sml h ALA 15 Cb 1.33 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1sml h ALA 15 CO 0.55 0.11 -0.11 0.66 0.00 0.00 0.00 179.25 180.46 1sml h SER 16 N 0.72 0.00 0.63 0.00 4.64 -1.96 0.13 113.55 117.71 1sml h SER 16 Ca 0.33 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.62 1sml h SER 16 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1sml h SER 16 CO -0.12 0.11 -0.15 -0.50 -0.87 0.00 0.00 176.83 175.30 1sml h TRP 17 N 0.00 0.00 -0.33 4.77 4.06 -1.47 -2.24 115.95 120.74 1sml h TRP 17 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1sml h TRP 17 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1sml h TRP 17 CO 0.00 0.15 0.00 1.28 -3.56 0.00 0.00 178.44 176.31 1sml n LEU 18 N -3.48 3.19 -4.54 -4.49 4.77 0.40 -4.43 117.00 108.42 1sml n LEU 18 Ca -0.01 -2.25 -0.42 0.00 -0.03 0.00 0.00 56.01 53.30 1sml n LEU 18 Cb 0.32 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.03 1sml n LEU 18 CO 0.31 0.72 0.38 -1.58 -1.33 0.00 0.00 177.39 175.89 1sml s GLN 19 N -1.45 3.45 0.55 3.23 2.00 -0.89 -4.99 119.66 121.57 1sml s GLN 19 Ca 0.28 -0.19 -0.22 0.00 -2.00 0.00 0.00 55.36 53.24 1sml s GLN 19 Cb 0.18 -3.89 -0.05 0.00 0.80 0.00 0.00 33.01 30.05 1sml s GLN 19 CO 0.14 -0.89 1.36 -2.14 -0.50 0.00 0.00 175.29 173.26 1sml s PRO 20 N 2.78 3.10 0.10 1.67 0.02 -1.26 -1.05 135.00 140.36 1sml s PRO 20 Ca 0.23 2.25 0.04 0.00 0.02 0.00 0.00 61.00 63.54 1sml s PRO 20 Cb -0.14 -2.24 -0.04 0.00 0.02 0.00 0.00 34.50 32.10 1sml s PRO 20 CO 0.17 -1.22 -0.11 0.00 -0.33 0.00 0.00 177.00 175.51 1sml s MET 21 N -2.93 0.87 0.73 5.54 0.23 -1.22 -4.72 119.30 117.81 1sml s MET 21 Ca 0.72 -1.16 -0.11 0.00 -1.03 0.00 0.00 55.69 54.11 1sml s MET 21 Cb -0.41 -0.60 0.03 0.00 -1.53 0.00 0.00 34.83 32.33 1sml s MET 21 CO 0.48 0.10 1.07 0.00 -2.03 0.00 0.00 175.02 174.64 1sml s ALA 22 N -2.37 2.47 0.18 3.16 0.00 -1.26 -4.78 121.76 119.16 1sml s ALA 22 Ca 0.06 0.13 -0.33 0.00 0.00 0.00 0.00 51.96 51.81 1sml s ALA 22 Cb -0.03 -3.21 -0.14 0.00 0.00 0.00 0.00 23.12 19.74 1sml s ALA 22 CO 0.01 -1.48 1.57 -2.30 0.00 0.00 0.00 175.76 173.56 1sml n PRO 23 N -3.31 2.21 -3.91 0.00 -0.02 -1.26 -4.86 135.00 123.85 1sml n PRO 23 Ca 0.08 0.79 -0.35 0.00 -2.02 0.00 0.00 63.50 62.00 1sml n PRO 23 Cb 0.54 -2.56 -0.14 0.00 -0.02 0.00 0.00 33.50 31.32 1sml n PRO 23 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1sml s LEU 24 N 0.79 3.10 0.05 2.45 2.96 -0.10 -4.96 118.68 122.96 1sml s LEU 24 Ca 0.77 -0.60 -0.30 0.00 -0.22 0.00 0.00 54.13 53.78 1sml s LEU 24 Cb -0.66 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.25 1sml s LEU 24 CO 0.39 -0.08 1.22 -1.58 -1.32 0.00 0.00 176.35 174.98 1sml s GLN 25 N 1.43 4.41 -0.24 1.98 0.74 -1.26 -0.07 119.66 126.65 1sml s GLN 25 Ca 0.04 1.78 -0.13 0.00 0.05 0.00 0.00 55.36 57.09 1sml s GLN 25 Cb -0.15 -3.38 -0.16 0.00 1.10 0.00 0.00 33.01 30.41 1sml s GLN 25 CO -0.03 -0.30 -0.10 -0.89 -0.55 0.00 0.00 175.29 173.42 1sml n ILE 26 N 4.05 1.55 -3.92 -2.34 2.08 0.99 -4.92 119.36 116.85 1sml n ILE 26 Ca 0.09 -0.34 -0.07 0.00 0.56 0.00 0.00 62.75 63.00 1sml n ILE 26 Cb 0.46 -1.85 -0.02 0.00 -0.75 0.00 0.00 39.64 37.48 1sml n ILE 26 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1sml n ALA 27 N -3.73 0.04 -0.32 -1.39 0.00 -1.01 -4.98 120.51 109.11 1sml n ALA 27 Ca -0.45 -0.75 0.11 0.00 0.00 0.00 0.00 53.44 52.35 1sml n ALA 27 Cb 0.86 0.60 0.32 0.00 0.00 0.00 0.00 19.45 21.24 1sml n ALA 27 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1sml h ASP 28 N 0.85 0.77 0.00 0.00 3.32 -1.39 -2.58 116.42 117.40 1sml h ASP 28 Ca -0.11 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1sml h ASP 28 Cb 0.51 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1sml h ASP 28 CO 0.15 0.37 -0.02 1.41 -1.72 0.00 0.00 179.24 179.44 1sml n HIS 29 N -4.62 0.00 -4.99 4.55 8.25 -1.26 -5.03 115.22 112.12 1sml n HIS 29 Ca 0.19 -0.43 -0.32 0.00 -0.26 0.00 0.00 57.72 56.89 1sml n HIS 29 Cb 0.46 -0.05 -0.16 0.00 1.12 0.00 0.00 29.99 31.36 1sml n HIS 29 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1sml s THR 30 N -0.97 2.54 0.02 1.59 2.01 -0.97 -0.55 115.64 119.31 1sml s THR 30 Ca 0.04 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.23 1sml s THR 30 Cb 0.03 -2.02 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 1sml s THR 30 CO 0.00 0.54 -0.11 0.26 -0.69 0.00 0.00 174.62 174.63 1sml s TRP 31 N 0.36 0.95 -0.19 4.92 0.52 0.42 -0.01 118.94 125.91 1sml s TRP 31 Ca -0.15 -0.29 -0.25 0.00 0.02 0.00 0.00 56.10 55.44 1sml s TRP 31 Cb -0.17 -0.58 -0.01 0.00 -1.15 0.00 0.00 33.47 31.56 1sml s TRP 31 CO 0.07 -0.00 0.82 -1.14 0.02 0.00 0.00 176.95 176.71 1sml s GLN 32 N -0.82 4.25 0.00 4.98 2.00 0.91 -0.15 119.66 130.83 1sml s GLN 32 Ca 0.00 0.96 0.00 0.00 -2.00 0.00 0.00 55.36 54.33 1sml s GLN 32 Cb -0.06 -3.60 0.00 0.00 0.80 0.00 0.00 33.01 30.15 1sml s GLN 32 CO 0.00 -0.38 0.75 0.44 -0.50 0.00 0.00 175.29 175.60 1sml n ILE 33 N 4.90 0.54 0.00 -2.34 -5.35 0.37 -0.92 119.36 116.55 1sml n ILE 33 Ca 0.04 -0.58 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 1sml n ILE 33 Cb 0.48 0.78 0.00 0.00 -1.74 0.00 0.00 39.64 39.16 1sml n ILE 33 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sml n GLY 34 N -0.27 1.02 3.97 3.28 0.00 -1.21 -4.66 105.19 107.32 1sml n GLY 34 Ca 0.00 -0.88 -0.24 0.00 0.00 0.00 0.00 46.02 44.90 1sml n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sml s THR 35 N 1.34 1.80 0.35 2.61 -4.23 -0.82 -3.37 115.64 113.32 1sml s THR 35 Ca 0.00 -1.28 0.03 0.00 -1.18 0.00 0.00 61.69 59.26 1sml s THR 35 Cb 0.00 -2.07 0.25 0.00 1.34 0.00 0.00 72.50 72.02 1sml s THR 35 CO 0.00 0.00 2.00 -0.33 -0.54 0.00 0.00 174.62 175.75 1sml h GLU 36 N 0.46 0.78 -0.12 3.99 5.08 -1.13 -3.18 114.58 120.46 1sml h GLU 36 Ca -0.33 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1sml h GLU 36 Cb 1.30 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1sml h GLU 36 CO 0.50 0.54 0.00 -0.25 -1.00 0.00 0.00 179.01 178.80 1sml n ASP 37 N -4.42 2.52 -3.85 1.42 8.00 -0.86 -4.25 116.55 115.11 1sml n ASP 37 Ca 0.06 -2.34 -0.18 0.00 0.71 0.00 0.00 54.79 53.03 1sml n ASP 37 Cb 0.07 -0.21 -0.16 0.00 -0.02 0.00 0.00 41.12 40.80 1sml n ASP 37 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1sml s LEU 38 N -1.60 1.25 0.31 0.64 1.43 -1.20 -4.37 118.68 115.14 1sml s LEU 38 Ca 0.17 -0.06 -0.28 0.00 -1.03 0.00 0.00 54.13 52.93 1sml s LEU 38 Cb 0.13 -0.29 -0.09 0.00 0.03 0.00 0.00 46.19 45.96 1sml s LEU 38 CO 0.06 -0.08 1.04 -0.89 0.23 0.00 0.00 176.35 176.71 1sml s THR 39 N 0.94 3.73 -0.26 5.49 2.01 -0.61 -1.94 115.64 125.00 1sml s THR 39 Ca -0.10 1.60 -0.01 0.00 0.31 0.00 0.00 61.69 63.48 1sml s THR 39 Cb -0.14 -3.96 0.14 0.00 0.01 0.00 0.00 72.50 68.55 1sml s THR 39 CO -0.01 0.27 0.39 0.00 -0.69 0.00 0.00 174.62 174.59 1sml s ALA 40 N -1.34 -1.16 -0.20 7.40 0.00 -1.26 -4.26 121.76 120.94 1sml s ALA 40 Ca 0.48 0.72 -0.12 0.00 0.00 0.00 0.00 51.96 53.04 1sml s ALA 40 Cb -0.27 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 1sml s ALA 40 CO 0.34 -1.42 0.24 -0.51 0.00 0.00 0.00 175.76 174.41 1sml s LEU 41 N 2.55 4.19 -0.23 0.00 1.43 -0.01 -0.48 118.68 126.14 1sml s LEU 41 Ca 0.12 0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 53.50 1sml s LEU 41 Cb -0.14 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 1sml s LEU 41 CO -0.21 0.08 0.07 -0.22 0.23 0.00 0.00 176.35 176.30 1sml s LEU 42 N 0.73 3.53 -0.22 1.79 2.96 0.79 -0.39 118.68 127.86 1sml s LEU 42 Ca 0.13 -0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1sml s LEU 42 Cb -0.13 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 1sml s LEU 42 CO 0.03 0.02 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.36 1sml s VAL 43 N 1.31 3.46 -0.14 1.68 1.01 0.78 -0.44 120.40 128.06 1sml s VAL 43 Ca 0.05 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 1sml s VAL 43 Cb -0.15 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1sml s VAL 43 CO 0.04 0.41 0.15 -1.10 0.00 0.00 0.00 175.10 174.60 1sml s GLN 44 N 1.49 3.69 0.10 2.72 -0.21 0.29 -0.64 119.66 127.11 1sml s GLN 44 Ca 0.06 -0.13 0.03 0.00 0.02 0.00 0.00 55.36 55.34 1sml s GLN 44 Cb -0.14 -3.26 -0.04 0.00 1.00 0.00 0.00 33.01 30.57 1sml s GLN 44 CO -0.03 0.63 -0.09 0.99 -2.12 0.00 0.00 175.29 174.67 1sml s THR 45 N -0.60 0.90 0.58 -0.19 2.01 -0.96 -4.82 115.64 112.56 1sml s THR 45 Ca 0.13 -1.77 0.27 0.00 0.31 0.00 0.00 61.69 60.64 1sml s THR 45 Cb -0.12 -1.50 0.34 0.00 0.01 0.00 0.00 72.50 71.23 1sml s THR 45 CO 0.03 -0.66 2.24 -0.65 -0.69 0.00 0.00 174.62 174.88 1sml h PRO 46 N 3.31 0.00 -0.58 4.92 0.11 -1.93 -2.65 132.00 135.19 1sml h PRO 46 Ca -0.37 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.60 1sml h PRO 46 Cb 1.18 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.21 1sml h PRO 46 CO 0.57 0.00 0.15 -0.25 -0.21 0.00 0.00 178.00 178.26 1sml n ASP 47 N -3.97 4.54 0.00 -2.05 9.92 -1.26 -5.05 116.55 118.68 1sml n ASP 47 Ca -0.03 -3.20 0.00 0.00 -0.53 0.00 0.00 54.79 51.03 1sml n ASP 47 Cb 0.08 -0.69 0.00 0.00 -0.64 0.00 0.00 41.12 39.88 1sml n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sml n GLY 48 N -0.23 1.98 3.79 0.44 0.00 -1.00 -4.70 105.19 105.47 1sml n GLY 48 Ca 0.35 -2.11 -0.26 0.00 0.00 0.00 0.00 46.02 44.00 1sml n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sml s ALA 49 N -1.92 3.55 -0.04 4.61 0.00 -0.12 -2.27 121.76 125.57 1sml s ALA 49 Ca 0.00 -1.25 0.07 0.00 0.00 0.00 0.00 51.96 50.77 1sml s ALA 49 Cb 0.00 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 1sml s ALA 49 CO 0.00 0.47 -0.25 0.08 0.00 0.00 0.00 175.76 176.06 1sml s VAL 50 N -1.81 1.98 -0.13 0.00 1.01 0.18 -0.88 120.40 120.77 1sml s VAL 50 Ca 0.31 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1sml s VAL 50 Cb -0.10 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1sml s VAL 50 CO 0.23 0.56 -0.14 -0.22 0.00 0.00 0.00 175.10 175.52 1sml s LEU 51 N -0.30 2.62 -0.35 3.92 2.96 -0.04 -0.16 118.68 127.32 1sml s LEU 51 Ca 0.01 -0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 1sml s LEU 51 Cb -0.12 -1.58 0.05 0.00 0.50 0.00 0.00 46.19 45.04 1sml s LEU 51 CO 0.02 0.15 0.13 -0.76 -1.32 0.00 0.00 176.35 174.57 1sml s LEU 52 N 0.41 4.50 0.39 -0.68 1.02 0.47 -0.42 118.68 124.37 1sml s LEU 52 Ca -0.11 -1.31 0.00 0.00 0.02 0.00 0.00 54.13 52.73 1sml s LEU 52 Cb -0.16 -1.86 0.00 0.00 0.02 0.00 0.00 46.19 44.18 1sml s LEU 52 CO 0.05 -0.37 0.00 0.47 0.02 0.00 0.00 176.35 176.52 1sml n ASP 53 N 4.78 -5.07 0.00 2.29 8.00 -0.10 -0.83 116.55 125.62 1sml n ASP 53 Ca -0.11 1.02 0.00 0.00 0.71 0.00 0.00 54.79 56.41 1sml n ASP 53 Cb 0.44 -3.04 0.00 0.00 -0.02 0.00 0.00 41.12 38.50 1sml n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1sml n GLY 54 N -3.05 0.54 4.91 0.44 0.00 0.01 -4.15 105.19 103.90 1sml n GLY 54 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1sml n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sml n GLY 55 N 1.25 0.23 3.85 -0.02 0.00 -0.63 -4.73 105.19 105.14 1sml n GLY 55 Ca 0.00 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.49 1sml n GLY 55 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1sml s MET 56 N 0.00 3.50 0.39 1.61 -1.94 -1.24 -1.40 119.30 120.22 1sml s MET 56 Ca 0.00 0.86 0.11 0.00 -1.71 0.00 0.00 55.69 54.95 1sml s MET 56 Cb 0.00 -2.07 0.91 0.00 2.01 0.00 0.00 34.83 35.69 1sml s MET 56 CO 0.00 -0.65 1.92 -1.35 -0.01 0.00 0.00 175.02 174.92 1sml h PRO 57 N -0.15 0.56 0.00 2.03 0.11 -1.74 -1.89 132.00 130.92 1sml h PRO 57 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1sml h PRO 57 Cb 1.20 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1sml h PRO 57 CO 0.60 0.37 0.00 0.00 -0.21 0.00 0.00 178.00 178.76 1sml n GLN 58 N -4.51 0.99 0.00 1.05 0.00 -1.26 -3.63 117.38 110.02 1sml n GLN 58 Ca 0.14 0.00 0.15 0.00 0.00 0.00 0.00 57.00 57.29 1sml n GLN 58 Cb 0.44 -1.48 0.64 0.00 0.00 0.00 0.00 30.24 29.84 1sml n GLN 58 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1sml n MET 59 N -0.98 1.35 -0.03 2.61 2.81 -0.71 -4.47 117.12 117.70 1sml n MET 59 Ca 0.23 -0.61 -0.09 0.00 -1.81 0.00 0.00 57.70 55.43 1sml n MET 59 Cb 0.11 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.10 1sml n MET 59 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1sml h ALA 60 N 4.15 0.07 -0.60 3.04 0.00 -1.77 -0.43 119.26 123.72 1sml h ALA 60 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1sml h ALA 60 Cb 0.35 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1sml h ALA 60 CO 0.00 -0.52 0.16 0.77 0.00 0.00 0.00 179.25 179.66 1sml h SER 61 N -0.07 0.90 -0.52 0.00 0.02 -1.91 -0.98 113.55 111.00 1sml h SER 61 Ca 0.10 -0.23 0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1sml h SER 61 Cb 0.21 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1sml h SER 61 CO -0.23 0.89 0.31 -0.74 -1.14 0.00 0.00 176.83 175.93 1sml h HIS 62 N 0.86 0.59 -0.38 3.45 6.17 -1.77 0.13 115.15 124.21 1sml h HIS 62 Ca 0.19 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.31 1sml h HIS 62 Cb 0.34 -0.19 -0.03 0.00 2.52 0.00 0.00 27.41 30.05 1sml h HIS 62 CO 0.02 0.34 0.21 -0.07 0.71 0.00 0.00 177.93 179.14 1sml h LEU 63 N 0.63 0.33 -1.26 0.26 3.38 -0.65 -0.00 115.31 117.99 1sml h LEU 63 Ca 0.21 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1sml h LEU 63 Cb 0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1sml h LEU 63 CO -0.09 0.24 0.18 -0.07 0.09 0.00 0.00 178.44 178.79 1sml h LEU 64 N 0.42 0.63 -0.39 1.67 4.07 -0.57 0.14 115.31 121.28 1sml h LEU 64 Ca 0.15 -0.08 -0.07 0.00 0.08 0.00 0.00 57.88 57.97 1sml h LEU 64 Cb 0.03 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 1sml h LEU 64 CO -0.09 0.58 -0.01 0.44 -1.08 0.00 0.00 178.44 178.28 1sml h ASP 65 N 0.69 0.69 -0.61 -0.43 3.32 -0.26 -0.66 116.42 119.15 1sml h ASP 65 Ca 0.17 -0.32 -0.07 0.00 0.02 0.00 0.00 57.03 56.82 1sml h ASP 65 Cb 0.16 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1sml h ASP 65 CO -0.01 0.84 0.09 0.78 -1.72 0.00 0.00 179.24 179.21 1sml h ASN 66 N 0.52 0.98 -0.42 6.45 2.35 -0.53 -1.20 115.58 123.73 1sml h ASN 66 Ca 0.11 -0.26 0.05 0.00 -0.55 0.00 0.00 56.30 55.64 1sml h ASN 66 Cb 0.49 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 1sml h ASN 66 CO 0.02 0.99 0.17 0.24 -1.65 0.00 0.00 177.43 177.21 1sml h MET 67 N 0.92 0.34 -0.38 0.81 2.86 -0.47 -2.10 114.93 116.91 1sml h MET 67 Ca 0.18 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.82 1sml h MET 67 Cb 0.44 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1sml h MET 67 CO 0.01 0.23 0.22 -0.22 1.06 0.00 0.00 176.91 178.21 1sml h LYS 68 N 0.35 0.43 -0.91 1.72 1.63 -0.72 0.50 116.57 119.57 1sml h LYS 68 Ca 0.19 -0.03 0.19 0.00 -0.85 0.00 0.00 60.65 60.15 1sml h LYS 68 Cb 0.15 -0.10 -0.07 0.00 -0.60 0.00 0.00 32.23 31.61 1sml h LYS 68 CO -0.17 0.29 0.59 0.00 -3.45 0.00 0.00 179.45 176.71 1sml h ALA 69 N 1.18 2.07 -0.00 5.00 0.00 -0.89 -0.73 119.26 125.88 1sml h ALA 69 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1sml h ALA 69 Cb 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1sml h ALA 69 CO -0.08 -0.35 -0.04 0.54 0.00 0.00 0.00 179.25 179.32 1sml n ARG 70 N -4.55 0.92 -0.66 0.00 5.12 -0.58 -4.93 116.66 111.98 1sml n ARG 70 Ca 0.19 -0.25 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1sml n ARG 70 Cb 0.64 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.44 1sml n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sml n GLY 71 N 1.17 0.59 3.33 -0.13 0.00 -0.28 -5.05 105.19 104.83 1sml n GLY 71 Ca 0.18 -0.71 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 1sml n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sml s VAL 72 N -2.00 4.01 0.70 1.61 1.01 0.06 -5.00 120.40 120.79 1sml s VAL 72 Ca 0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 1sml s VAL 72 Cb 0.00 -3.13 0.07 0.00 0.00 0.00 0.00 36.38 33.31 1sml s VAL 72 CO 0.00 -0.02 1.01 0.42 0.00 0.00 0.00 175.10 176.51 1sml s THR 73 N 1.49 2.29 0.28 3.92 -4.23 -1.26 -2.82 115.64 115.30 1sml s THR 73 Ca 0.02 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1sml s THR 73 Cb -0.18 -2.99 0.28 0.00 1.34 0.00 0.00 72.50 70.96 1sml s THR 73 CO 0.03 0.00 1.86 -0.65 -0.54 0.00 0.00 174.62 175.32 1sml h PRO 74 N -0.58 1.01 0.00 3.99 0.11 -1.94 0.18 132.00 134.77 1sml h PRO 74 Ca -0.44 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1sml h PRO 74 Cb 1.31 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1sml h PRO 74 CO 0.58 0.67 -0.18 0.00 -0.21 0.00 0.00 178.00 178.87 1sml h ARG 75 N 1.05 0.00 0.00 1.05 3.08 -1.93 -0.60 114.38 117.03 1sml h ARG 75 Ca 0.47 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.44 1sml h ARG 75 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1sml h ARG 75 CO -0.23 0.18 -0.40 -0.44 -1.07 0.00 0.00 179.97 178.01 1sml h ASP 76 N 0.00 0.00 -2.98 7.04 3.32 -1.00 -3.42 116.42 119.39 1sml h ASP 76 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1sml h ASP 76 Cb 0.42 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1sml h ASP 76 CO 0.02 0.40 0.98 -0.22 -1.72 0.00 0.00 179.24 178.71 1sml s LEU 77 N -6.69 4.00 -0.23 1.55 2.96 -1.12 -0.95 118.68 118.20 1sml s LEU 77 Ca 0.02 1.48 -0.01 0.00 -0.22 0.00 0.00 54.13 55.40 1sml s LEU 77 Cb 0.09 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 43.06 1sml s LEU 77 CO 0.70 -1.00 -0.11 0.54 -1.32 0.00 0.00 176.35 175.16 1sml n ARG 78 N 7.14 0.67 -3.87 1.98 1.74 -0.06 -2.14 116.66 122.13 1sml n ARG 78 Ca 0.15 0.19 -0.12 0.00 -0.77 0.00 0.00 57.85 57.30 1sml n ARG 78 Cb 0.46 -1.56 -0.13 0.00 -1.02 0.00 0.00 32.46 30.20 1sml n ARG 78 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1sml s LEU 79 N -6.72 1.91 -0.14 0.55 2.96 -1.15 -1.75 118.68 114.34 1sml s LEU 79 Ca -0.33 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.61 1sml s LEU 79 Cb 0.09 0.11 -0.00 0.00 0.50 0.00 0.00 46.19 46.89 1sml s LEU 79 CO 0.63 -0.04 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.82 1sml s ILE 80 N -0.11 2.54 0.17 6.68 1.01 0.39 -0.86 121.20 131.02 1sml s ILE 80 Ca -0.01 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.90 1sml s ILE 80 Cb -0.01 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 1sml s ILE 80 CO -0.00 0.53 -0.08 -0.76 0.00 0.00 0.00 174.94 174.63 1sml s LEU 81 N 0.70 3.03 0.06 2.97 1.43 0.44 -1.95 118.68 125.36 1sml s LEU 81 Ca -0.08 -0.53 0.06 0.00 -1.03 0.00 0.00 54.13 52.55 1sml s LEU 81 Cb -0.16 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 1sml s LEU 81 CO 0.01 0.11 -0.16 -0.76 0.23 0.00 0.00 176.35 175.78 1sml s LEU 82 N -2.78 2.22 -0.06 1.79 1.43 -1.26 -0.92 118.68 119.09 1sml s LEU 82 Ca 0.25 -0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 52.66 1sml s LEU 82 Cb -0.09 -0.69 -0.10 0.00 0.03 0.00 0.00 46.19 45.34 1sml s LEU 82 CO 0.15 0.03 0.55 0.77 0.23 0.00 0.00 176.35 178.09 1sml h SER 83 N 4.61 -0.23 -5.03 2.29 4.64 -1.94 -3.43 113.55 114.47 1sml h SER 83 Ca -0.41 -0.17 -0.05 0.00 -0.47 0.00 0.00 61.79 60.69 1sml h SER 83 Cb 1.18 0.06 -0.15 0.00 -0.31 0.00 0.00 62.40 63.18 1sml h SER 83 CO 0.42 0.30 0.03 -1.38 -0.87 0.00 0.00 176.83 175.33 1sml s HIS 84 N -2.83 -0.38 -1.21 4.77 0.00 -1.26 -1.41 115.29 112.97 1sml s HIS 84 Ca -0.08 0.29 -0.04 0.00 -3.00 0.00 0.00 55.06 52.22 1sml s HIS 84 Cb 0.00 0.35 0.18 0.00 -4.00 0.00 0.00 32.58 29.11 1sml s HIS 84 CO 0.28 -0.69 2.24 0.00 -1.00 0.00 0.00 174.74 175.58 1sml n ALA 85 N 0.12 6.60 -2.67 -1.38 0.00 -1.26 -4.24 120.51 117.68 1sml n ALA 85 Ca -0.17 -4.20 -0.20 0.00 0.00 0.00 0.00 53.44 48.86 1sml n ALA 85 Cb 0.62 -2.59 -0.01 0.00 0.00 0.00 0.00 19.45 17.47 1sml n ALA 85 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1sml s HIS 86 N -2.08 3.27 0.51 0.00 3.76 -1.26 -4.56 115.29 114.94 1sml s HIS 86 Ca 0.50 -0.08 0.16 0.00 -0.15 0.00 0.00 55.06 55.49 1sml s HIS 86 Cb 0.19 -1.84 1.25 0.00 1.11 0.00 0.00 32.58 33.29 1sml s HIS 86 CO -0.11 0.15 2.13 0.00 -0.85 0.00 0.00 174.74 176.06 1sml h ALA 87 N 0.96 2.01 -0.00 -1.40 0.00 -1.88 0.12 119.26 119.07 1sml h ALA 87 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1sml h ALA 87 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1sml h ALA 87 CO 0.57 -0.03 -0.02 -0.40 0.00 0.00 0.00 179.25 179.37 1sml n ASP 88 N -4.52 0.31 0.00 0.00 5.75 -1.26 -2.25 116.55 114.57 1sml n ASP 88 Ca -0.02 -0.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.85 1sml n ASP 88 Cb 0.12 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1sml n ASP 88 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1sml n HIS 89 N -0.84 0.00 -0.08 2.11 8.25 -0.51 -3.62 115.22 120.52 1sml n HIS 89 Ca 0.21 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.75 1sml n HIS 89 Cb 0.19 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.49 1sml n HIS 89 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sml n ALA 90 N -1.75 2.30 -0.28 -1.41 0.00 0.29 -0.81 120.51 118.85 1sml n ALA 90 Ca 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 53.44 52.35 1sml n ALA 90 Cb 0.28 -0.62 0.08 0.00 0.00 0.00 0.00 19.45 19.18 1sml n ALA 90 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1sml h GLY 91 N 3.00 0.40 -2.53 0.00 0.00 -0.77 -1.61 103.07 101.55 1sml h GLY 91 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1sml h GLY 91 CO 0.00 -0.28 0.00 -1.55 0.00 0.00 0.00 176.54 174.71 1sml n PRO 92 N -5.51 3.24 -0.09 4.80 -0.04 -1.24 -4.23 135.00 131.94 1sml n PRO 92 Ca 0.10 -2.17 -0.11 0.00 -0.04 0.00 0.00 63.50 61.28 1sml n PRO 92 Cb 0.40 -1.81 -0.03 0.00 -0.04 0.00 0.00 33.50 32.01 1sml n PRO 92 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1sml h VAL 93 N 3.03 1.23 -0.55 0.52 2.07 -1.62 0.03 116.25 120.95 1sml h VAL 93 Ca 0.00 -0.77 0.08 0.00 0.82 0.00 0.00 66.70 66.83 1sml h VAL 93 Cb 1.25 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 32.17 1sml h VAL 93 CO 0.22 0.25 0.21 0.00 0.02 0.00 0.00 177.57 178.27 1sml h ALA 94 N 0.87 0.70 -0.53 1.67 0.00 -1.80 0.26 119.26 120.43 1sml h ALA 94 Ca 0.08 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1sml h ALA 94 Cb 0.32 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1sml h ALA 94 CO 0.00 -0.19 0.08 1.49 0.00 0.00 0.00 179.25 180.63 1sml h GLU 95 N 0.39 0.88 -0.79 0.00 4.81 -1.79 -2.14 114.58 115.94 1sml h GLU 95 Ca 0.27 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1sml h GLU 95 Cb 0.31 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1sml h GLU 95 CO -0.27 0.86 0.50 -0.07 -0.73 0.00 0.00 179.01 179.30 1sml h LEU 96 N 0.76 0.92 -0.97 1.64 3.38 -0.47 -1.08 115.31 119.50 1sml h LEU 96 Ca 0.16 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1sml h LEU 96 Cb 0.41 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1sml h LEU 96 CO 0.01 0.69 0.14 0.11 0.09 0.00 0.00 178.44 179.48 1sml h LYS 97 N 1.08 0.89 -0.13 1.13 1.57 -0.54 -0.30 116.57 120.27 1sml h LYS 97 Ca 0.29 -0.19 -0.12 0.00 -1.87 0.00 0.00 60.65 58.76 1sml h LYS 97 Cb -0.09 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1sml h LYS 97 CO -0.06 0.79 -0.45 0.00 -0.57 0.00 0.00 179.45 179.16 1sml h ARG 98 N 0.85 0.31 -0.01 3.15 3.08 -0.72 -3.28 114.38 117.76 1sml h ARG 98 Ca 0.19 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1sml h ARG 98 Cb 0.31 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1sml h ARG 98 CO -0.00 0.70 -0.71 0.54 -1.07 0.00 0.00 179.97 179.43 1sml n ARG 99 N -3.99 0.63 -4.45 0.04 1.74 -0.48 -5.00 116.66 105.15 1sml n ARG 99 Ca -0.02 -0.52 -0.24 0.00 -0.77 0.00 0.00 57.85 56.31 1sml n ARG 99 Cb 0.52 -1.49 -0.08 0.00 -1.02 0.00 0.00 32.46 30.39 1sml n ARG 99 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1sml s THR 100 N -2.73 0.41 -1.68 0.55 -4.23 -0.15 -4.82 115.64 102.99 1sml s THR 100 Ca 0.14 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.88 1sml s THR 100 Cb 0.17 -2.37 0.52 0.00 1.34 0.00 0.00 72.50 72.16 1sml s THR 100 CO 0.71 0.00 1.75 0.61 -0.54 0.00 0.00 174.62 177.15 1sml n GLY 101 N -0.84 -0.90 3.76 3.99 0.00 -0.25 -4.78 105.19 106.18 1sml n GLY 101 Ca -0.02 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1sml n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sml s ALA 102 N -2.32 3.35 0.12 4.61 0.00 -0.91 -4.75 121.76 121.87 1sml s ALA 102 Ca 0.28 0.89 0.07 0.00 0.00 0.00 0.00 51.96 53.20 1sml s ALA 102 Cb 0.16 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1sml s ALA 102 CO 0.31 -0.21 -0.05 0.15 0.00 0.00 0.00 175.76 175.96 1sml s LYS 103 N -1.66 2.31 -0.15 0.00 1.02 -0.71 -4.74 119.74 115.81 1sml s LYS 103 Ca 0.47 -1.01 -0.07 0.00 0.02 0.00 0.00 55.97 55.39 1sml s LYS 103 Cb -0.31 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.59 1sml s LYS 103 CO 0.40 0.50 0.08 0.08 -0.92 0.00 0.00 175.35 175.48 1sml s VAL 104 N -1.41 4.94 -0.09 3.17 1.01 -1.26 -0.46 120.40 126.31 1sml s VAL 104 Ca 0.24 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.26 1sml s VAL 104 Cb -0.11 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1sml s VAL 104 CO 0.16 0.53 -0.18 0.00 0.00 0.00 0.00 175.10 175.61 1sml s ALA 105 N -0.22 2.47 0.21 5.51 0.00 -0.82 -0.23 121.76 128.67 1sml s ALA 105 Ca 0.08 -0.96 -0.20 0.00 0.00 0.00 0.00 51.96 50.89 1sml s ALA 105 Cb -0.12 -0.96 0.04 0.00 0.00 0.00 0.00 23.12 22.07 1sml s ALA 105 CO 0.01 0.38 0.59 0.00 0.00 0.00 0.00 175.76 176.74 1sml s ALA 106 N -0.08 -1.15 0.81 0.00 0.00 -0.63 -4.33 121.76 116.39 1sml s ALA 106 Ca -0.04 -0.09 -0.12 0.00 0.00 0.00 0.00 51.96 51.71 1sml s ALA 106 Cb -0.14 0.87 0.08 0.00 0.00 0.00 0.00 23.12 23.93 1sml s ALA 106 CO 0.04 -0.86 1.14 0.54 0.00 0.00 0.00 175.76 176.62 1sml s ASN 107 N -2.86 4.42 0.23 0.00 2.20 -1.26 -1.10 114.94 116.58 1sml s ASN 107 Ca 0.08 1.00 -0.07 0.00 -0.94 0.00 0.00 52.86 52.94 1sml s ASN 107 Cb -0.02 -1.63 0.31 0.00 -2.00 0.00 0.00 41.25 37.91 1sml s ASN 107 CO -0.02 -1.98 1.83 0.00 -2.94 0.00 0.00 177.10 173.99 1sml h ALA 108 N -1.10 1.09 -0.25 3.54 0.00 -1.96 0.94 119.26 121.51 1sml h ALA 108 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1sml h ALA 108 Cb 1.30 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1sml h ALA 108 CO 0.63 0.19 0.14 0.93 0.00 0.00 0.00 179.25 181.13 1sml h GLU 109 N 0.86 0.36 -0.87 0.00 4.39 -1.92 -0.64 114.58 116.76 1sml h GLU 109 Ca 0.35 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.99 1sml h GLU 109 Cb 0.19 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 1sml h GLU 109 CO -0.18 0.33 0.47 0.77 -1.16 0.00 0.00 179.01 179.23 1sml h SER 110 N 0.29 1.10 -0.53 1.42 0.02 -1.72 -1.92 113.55 112.23 1sml h SER 110 Ca 0.09 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1sml h SER 110 Cb 0.08 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1sml h SER 110 CO -0.01 0.90 0.30 0.00 -1.14 0.00 0.00 176.83 176.87 1sml h ALA 111 N 1.25 0.67 -0.53 3.77 0.00 -0.56 0.12 119.26 123.98 1sml h ALA 111 Ca 0.31 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1sml h ALA 111 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1sml h ALA 111 CO -0.05 0.18 -0.04 0.28 0.00 0.00 0.00 179.25 179.62 1sml h VAL 112 N 0.70 1.26 -0.34 0.00 2.07 -0.89 -0.72 116.25 118.32 1sml h VAL 112 Ca 0.19 -1.16 -0.16 0.00 0.82 0.00 0.00 66.70 66.39 1sml h VAL 112 Cb 0.03 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1sml h VAL 112 CO -0.03 0.41 -0.42 0.25 0.02 0.00 0.00 177.57 177.79 1sml h LEU 113 N 0.86 0.93 -0.59 2.57 5.85 -1.10 -2.66 115.31 121.18 1sml h LEU 113 Ca 0.15 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.39 1sml h LEU 113 Cb 0.57 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1sml h LEU 113 CO 0.03 1.22 0.23 0.25 -0.34 0.00 0.00 178.44 179.84 1sml h LEU 114 N 0.70 0.82 -1.33 2.25 5.85 -0.61 -1.39 115.31 121.60 1sml h LEU 114 Ca 0.05 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1sml h LEU 114 Cb 1.01 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1sml h LEU 114 CO 0.10 0.77 0.00 0.00 -0.34 0.00 0.00 178.44 178.97 1sml h ALA 115 N 1.08 1.00 -0.59 1.25 0.00 -0.94 -1.08 119.26 119.98 1sml h ALA 115 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1sml h ALA 115 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1sml h ALA 115 CO -0.02 0.00 0.00 -2.13 0.00 0.00 0.00 179.25 177.10 1sml n ARG 116 N -2.70 3.25 -3.76 0.00 0.63 -0.91 -4.58 116.66 108.59 1sml n ARG 116 Ca 0.01 -2.68 -0.28 0.00 -0.92 0.00 0.00 57.85 53.97 1sml n ARG 116 Cb 0.23 -1.69 0.03 0.00 0.45 0.00 0.00 32.46 31.48 1sml n ARG 116 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sml n GLY 117 N 1.04 -0.50 2.72 5.14 0.00 -0.48 -1.48 105.19 111.63 1sml n GLY 117 Ca 0.23 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1sml n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sml n GLY 118 N -1.65 0.33 3.79 -0.02 0.00 -0.57 -1.00 105.19 106.06 1sml n GLY 118 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1sml n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sml s SER 119 N -2.13 4.37 -1.66 1.61 1.04 -0.55 -3.56 113.70 112.82 1sml s SER 119 Ca 0.00 1.40 -0.17 0.00 0.48 0.00 0.00 55.95 57.66 1sml s SER 119 Cb 0.00 -2.13 0.14 0.00 0.10 0.00 0.00 66.02 64.13 1sml s SER 119 CO 0.00 -2.06 0.85 -0.67 0.98 0.00 0.00 173.24 172.34 1sml n ASP 120 N -3.50 -3.79 -4.74 7.02 2.03 -1.01 -4.92 116.55 107.64 1sml n ASP 120 Ca 0.07 -0.94 -0.41 0.00 0.52 0.00 0.00 54.79 54.03 1sml n ASP 120 Cb 0.56 -3.07 0.01 0.00 -0.72 0.00 0.00 41.12 37.89 1sml n ASP 120 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1sml n ASP 121 N -2.70 3.15 0.07 1.67 2.03 -0.22 -4.87 116.55 115.68 1sml n ASP 121 Ca 0.07 1.14 0.17 0.00 0.52 0.00 0.00 54.79 56.70 1sml n ASP 121 Cb 0.50 -1.57 0.69 0.00 -0.72 0.00 0.00 41.12 40.02 1sml n ASP 121 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1sml h LEU 122 N 2.38 0.00 0.00 -2.67 3.38 -1.91 -2.53 115.31 113.97 1sml h LEU 122 Ca -0.50 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 1sml h LEU 122 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.01 1sml h LEU 122 CO 0.61 0.00 -1.35 1.41 0.09 0.00 0.00 178.44 179.21 1sml n HIS 123 N -4.36 0.00 0.91 1.13 8.25 -1.26 -4.77 115.22 115.12 1sml n HIS 123 Ca 0.07 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.63 1sml n HIS 123 Cb 0.48 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.34 1sml n HIS 123 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1sml n PHE 124 N -2.48 0.03 0.00 4.41 3.72 -1.23 -5.01 117.46 116.90 1sml n PHE 124 Ca -0.10 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1sml n PHE 124 Cb 0.63 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 1sml n PHE 124 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sml n GLY 125 N 1.48 3.85 1.35 1.37 0.00 -0.95 -1.28 105.19 111.01 1sml n GLY 125 Ca 0.04 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.12 1sml n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sml n ASP 126 N 6.24 4.62 0.19 1.61 8.00 -1.26 -1.06 116.55 134.88 1sml n ASP 126 Ca 0.00 -2.78 0.03 0.00 0.71 0.00 0.00 54.79 52.75 1sml n ASP 126 Cb 0.00 -0.57 0.37 0.00 -0.02 0.00 0.00 41.12 40.90 1sml n ASP 126 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1sml h GLY 127 N 3.05 0.00 -6.83 0.44 0.00 -1.54 -3.40 103.07 94.79 1sml h GLY 127 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1sml h GLY 127 CO 0.30 0.00 -0.79 -0.42 0.00 0.00 0.00 176.54 175.63 1sml s ILE 128 N -4.14 0.64 0.29 2.60 1.01 -1.26 -4.62 121.20 115.71 1sml s ILE 128 Ca -0.03 -1.82 0.04 0.00 0.00 0.00 0.00 60.65 58.84 1sml s ILE 128 Cb 0.14 -1.47 -0.06 0.00 0.01 0.00 0.00 42.46 41.08 1sml s ILE 128 CO 0.72 -0.88 0.02 0.42 0.00 0.00 0.00 174.94 175.22 1sml s THR 129 N 1.04 1.23 0.26 2.92 -4.23 -1.26 -4.62 115.64 110.99 1sml s THR 129 Ca 0.16 -2.03 -0.20 0.00 -1.18 0.00 0.00 61.69 58.44 1sml s THR 129 Cb -0.22 -2.62 0.02 0.00 1.34 0.00 0.00 72.50 71.02 1sml s THR 129 CO -0.08 -0.14 0.67 -0.72 -0.54 0.00 0.00 174.62 173.82 1sml s TYR 130 N -3.28 -0.12 0.22 3.99 -0.85 -0.17 -4.84 117.35 112.29 1sml s TYR 130 Ca 0.33 -0.30 -0.31 0.00 -0.52 0.00 0.00 57.07 56.27 1sml s TYR 130 Cb 0.07 0.61 -0.11 0.00 0.38 0.00 0.00 41.96 42.91 1sml s TYR 130 CO 0.13 -1.16 1.62 -2.14 -1.52 0.00 0.00 175.55 172.48 1sml s PRO 131 N -3.92 4.16 0.61 -3.49 0.02 -1.26 -4.33 135.00 126.79 1sml s PRO 131 Ca 0.12 2.50 -0.16 0.00 0.02 0.00 0.00 61.00 63.48 1sml s PRO 131 Cb -0.05 -3.09 -0.02 0.00 0.02 0.00 0.00 34.50 31.36 1sml s PRO 131 CO 0.06 -0.65 1.09 -1.25 -0.33 0.00 0.00 177.00 175.91 1sml s PRO 132 N 0.67 3.11 0.04 5.54 0.04 -1.26 -4.48 135.00 138.65 1sml s PRO 132 Ca 0.69 1.33 -0.07 0.00 0.04 0.00 0.00 61.00 62.99 1sml s PRO 132 Cb -0.47 -2.00 -0.00 0.00 0.04 0.00 0.00 34.50 32.07 1sml s PRO 132 CO 0.36 -0.99 0.14 0.00 0.04 0.00 0.00 177.00 176.55 1sml s ALA 133 N -2.32 -0.20 0.14 8.56 0.00 -0.75 -4.67 121.76 122.52 1sml s ALA 133 Ca 0.66 -0.42 0.07 0.00 0.00 0.00 0.00 51.96 52.27 1sml s ALA 133 Cb -0.19 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1sml s ALA 133 CO 0.37 -0.33 -0.03 -0.80 0.00 0.00 0.00 175.76 174.98 1sml s ASN 134 N -2.06 4.72 0.37 0.00 -0.87 -1.26 -2.76 114.94 113.09 1sml s ASN 134 Ca -0.06 -0.36 -0.25 0.00 -1.57 0.00 0.00 52.86 50.63 1sml s ASN 134 Cb -0.02 -1.00 -0.09 0.00 -0.02 0.00 0.00 41.25 40.12 1sml s ASN 134 CO -0.04 0.13 1.02 0.00 -2.57 0.00 0.00 177.10 175.64 1sml s ALA 135 N -1.53 3.13 -0.11 0.60 0.00 -1.26 -4.70 121.76 117.89 1sml s ALA 135 Ca 0.26 0.66 0.16 0.00 0.00 0.00 0.00 51.96 53.03 1sml s ALA 135 Cb -0.10 -3.25 -0.23 0.00 0.00 0.00 0.00 23.12 19.54 1sml s ALA 135 CO 0.17 -0.10 0.47 -0.25 0.00 0.00 0.00 175.76 176.05 1sml n ASP 136 N 0.13 0.50 -3.82 0.00 8.00 0.68 -4.91 116.55 117.13 1sml n ASP 136 Ca 0.04 0.23 -0.15 0.00 0.71 0.00 0.00 54.79 55.62 1sml n ASP 136 Cb 0.50 0.49 -0.16 0.00 -0.02 0.00 0.00 41.12 41.93 1sml n ASP 136 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1sml s ARG 137 N -2.68 0.09 -0.18 -1.24 3.52 -0.87 -5.00 118.95 112.59 1sml s ARG 137 Ca -0.06 0.10 -0.12 0.00 -0.13 0.00 0.00 55.73 55.51 1sml s ARG 137 Cb 0.08 -0.27 -0.05 0.00 -1.56 0.00 0.00 34.95 33.15 1sml s ARG 137 CO 0.83 -0.11 0.22 0.42 -0.81 0.00 0.00 175.30 175.85 1sml s ILE 138 N 0.77 5.35 0.17 4.11 -1.09 -1.26 -1.60 121.20 127.65 1sml s ILE 138 Ca -0.07 0.38 0.07 0.00 -2.23 0.00 0.00 60.65 58.80 1sml s ILE 138 Cb -0.10 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 1sml s ILE 138 CO -0.02 0.40 0.01 0.68 -1.23 0.00 0.00 174.94 174.79 1sml s VAL 139 N 0.48 3.83 0.32 2.92 -7.23 -0.26 -4.91 120.40 115.55 1sml s VAL 139 Ca 0.13 -1.35 0.07 0.00 -1.81 0.00 0.00 61.98 59.01 1sml s VAL 139 Cb -0.12 -2.92 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 1sml s VAL 139 CO 0.01 -0.09 0.35 -0.04 -0.31 0.00 0.00 175.10 175.02 1sml s MET 140 N -2.91 2.95 0.24 4.82 -1.94 -1.26 -4.15 119.30 117.05 1sml s MET 140 Ca 0.28 -1.12 -0.31 0.00 -1.71 0.00 0.00 55.69 52.82 1sml s MET 140 Cb -0.10 -2.64 -0.12 0.00 2.01 0.00 0.00 34.83 33.98 1sml s MET 140 CO 0.19 0.15 1.65 -3.47 -0.01 0.00 0.00 175.02 173.53 1sml n ASP 141 N -1.45 3.83 0.00 3.03 2.03 -1.26 -1.36 116.55 121.37 1sml n ASP 141 Ca -0.03 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.38 1sml n ASP 141 Cb 0.59 -1.57 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 1sml n ASP 141 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sml n GLY 142 N 3.13 0.81 3.78 0.27 0.00 0.31 -5.01 105.19 108.48 1sml n GLY 142 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1sml n GLY 142 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sml s GLU 143 N -0.15 4.09 0.07 1.61 2.12 -0.46 -4.68 118.70 121.30 1sml s GLU 143 Ca 0.00 1.63 0.03 0.00 0.36 0.00 0.00 54.97 56.99 1sml s GLU 143 Cb 0.00 -2.57 -0.04 0.00 0.26 0.00 0.00 34.13 31.78 1sml s GLU 143 CO 0.00 -0.24 0.06 0.14 -0.54 0.00 0.00 175.26 174.68 1sml s VAL 144 N -1.57 4.39 -0.08 3.70 -7.23 -1.26 -1.75 120.40 116.60 1sml s VAL 144 Ca 0.58 -0.80 0.03 0.00 -1.81 0.00 0.00 61.98 59.99 1sml s VAL 144 Cb -0.25 -3.10 0.01 0.00 0.56 0.00 0.00 36.38 33.59 1sml s VAL 144 CO 0.31 0.15 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.43 1sml s ILE 145 N -1.34 1.64 -0.17 -0.62 1.01 0.57 -4.97 121.20 117.31 1sml s ILE 145 Ca 0.28 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 60.11 1sml s ILE 145 Cb -0.12 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 1sml s ILE 145 CO 0.20 0.47 -0.03 -0.89 0.00 0.00 0.00 174.94 174.69 1sml s THR 146 N 0.46 3.87 -0.20 2.92 2.01 -1.26 -0.34 115.64 123.11 1sml s THR 146 Ca -0.16 -0.36 -0.02 0.00 0.31 0.00 0.00 61.69 61.47 1sml s THR 146 Cb -0.17 -2.72 0.06 0.00 0.01 0.00 0.00 72.50 69.68 1sml s THR 146 CO 0.06 0.47 0.00 -0.69 -0.69 0.00 0.00 174.62 173.77 1sml s VAL 147 N 0.65 0.86 -1.44 3.82 1.01 -0.17 -4.83 120.40 120.30 1sml s VAL 147 Ca -0.02 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 1sml s VAL 147 Cb -0.14 -1.25 0.04 0.00 0.00 0.00 0.00 36.38 35.02 1sml s VAL 147 CO 0.02 -0.13 0.73 0.61 0.00 0.00 0.00 175.10 176.33 1sml n GLY 148 N 4.93 -0.35 2.56 4.51 0.00 -1.26 -0.93 105.19 114.65 1sml n GLY 148 Ca -0.10 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 1sml n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sml n GLY 149 N -1.69 0.80 3.62 -0.02 0.00 -1.26 -4.73 105.19 101.90 1sml n GLY 149 Ca -0.17 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 1sml n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sml s ILE 150 N -1.90 5.29 -0.27 -0.61 1.01 -0.11 -5.06 121.20 119.56 1sml s ILE 150 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.69 1sml s ILE 150 Cb 0.00 -3.49 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 1sml s ILE 150 CO 0.00 0.30 0.24 -0.69 0.00 0.00 0.00 174.94 174.79 1sml s VAL 151 N 1.44 5.27 -0.18 2.92 1.01 -1.26 -1.00 120.40 128.60 1sml s VAL 151 Ca 0.07 0.30 -0.08 0.00 0.00 0.00 0.00 61.98 62.28 1sml s VAL 151 Cb -0.15 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1sml s VAL 151 CO 0.08 0.24 0.07 -0.36 0.00 0.00 0.00 175.10 175.12 1sml s PHE 152 N 1.75 3.27 -0.09 5.22 0.40 0.54 -4.30 117.98 124.77 1sml s PHE 152 Ca 0.10 0.11 0.02 0.00 -0.60 0.00 0.00 56.93 56.55 1sml s PHE 152 Cb -0.16 -2.08 -0.02 0.00 0.51 0.00 0.00 43.02 41.28 1sml s PHE 152 CO 0.10 0.18 -0.16 0.99 0.70 0.00 0.00 175.22 177.03 1sml s THR 153 N 0.32 2.87 -0.03 0.64 2.01 0.16 -0.31 115.64 121.30 1sml s THR 153 Ca 0.04 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 61.08 1sml s THR 153 Cb -0.12 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.18 1sml s THR 153 CO -0.00 0.55 0.57 0.00 -0.69 0.00 0.00 174.62 175.06 1sml s ALA 154 N -0.05 3.48 -0.25 7.40 0.00 -0.72 -1.21 121.76 130.41 1sml s ALA 154 Ca -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.92 1sml s ALA 154 Cb -0.14 -2.72 0.07 0.00 0.00 0.00 0.00 23.12 20.32 1sml s ALA 154 CO 0.04 0.13 -0.02 -1.01 0.00 0.00 0.00 175.76 174.90 1sml s HIS 155 N -0.02 2.31 0.35 0.00 3.76 0.34 -0.53 115.29 121.49 1sml s HIS 155 Ca 0.30 -1.78 -0.28 0.00 -0.15 0.00 0.00 55.06 53.15 1sml s HIS 155 Cb -0.18 -1.66 -0.10 0.00 1.11 0.00 0.00 32.58 31.76 1sml s HIS 155 CO 0.16 -0.79 1.30 -0.06 -0.85 0.00 0.00 174.74 174.51 1sml s PHE 156 N 1.42 3.00 -0.41 1.40 0.40 -1.26 -0.66 117.98 121.88 1sml s PHE 156 Ca -0.02 1.41 0.09 0.00 -0.60 0.00 0.00 56.93 57.82 1sml s PHE 156 Cb -0.19 -3.68 0.32 0.00 0.51 0.00 0.00 43.02 39.98 1sml s PHE 156 CO -0.09 -1.90 0.80 0.00 0.70 0.00 0.00 175.22 174.74 1sml n MET 157 N 0.67 0.92 -1.54 0.44 0.00 0.28 -4.87 117.12 113.01 1sml n MET 157 Ca 0.01 -2.86 -0.42 0.00 0.00 0.00 0.00 57.70 54.42 1sml n MET 157 Cb 0.42 -1.44 0.01 0.00 0.00 0.00 0.00 33.22 32.21 1sml n MET 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1sml n ALA 158 N 0.62 -0.58 0.00 3.17 0.00 -1.23 -4.54 120.51 117.96 1sml n ALA 158 Ca 0.18 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.86 1sml n ALA 158 Cb 0.64 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1sml n ALA 158 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sml n GLY 159 N 1.43 -0.31 0.26 0.00 0.00 -1.26 -3.67 105.19 101.63 1sml n GLY 159 Ca 0.11 0.25 0.03 0.00 0.00 0.00 0.00 46.02 46.40 1sml n GLY 159 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1sml h HIS 160 N 0.00 0.46 -3.62 1.61 -0.00 -1.78 -3.40 115.15 108.42 1sml h HIS 160 Ca 0.00 0.03 -0.28 0.00 -0.00 0.00 0.00 60.37 60.12 1sml h HIS 160 Cb 0.00 -0.10 -0.15 0.00 -0.00 0.00 0.00 27.41 27.16 1sml h HIS 160 CO 0.00 0.09 -0.71 0.95 -0.00 0.00 0.00 177.93 178.26 1sml s THR 161 N -6.06 0.93 0.45 6.26 -4.23 -1.26 -5.03 115.64 106.69 1sml s THR 161 Ca -0.13 -1.94 0.20 0.00 -1.18 0.00 0.00 61.69 58.64 1sml s THR 161 Cb 0.19 -1.70 0.39 0.00 1.34 0.00 0.00 72.50 72.72 1sml s THR 161 CO 0.76 -0.77 1.89 -0.65 -0.54 0.00 0.00 174.62 175.30 1sml h PRO 162 N 2.98 0.31 -0.67 3.99 0.11 -1.95 -2.43 132.00 134.35 1sml h PRO 162 Ca -0.36 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1sml h PRO 162 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1sml h PRO 162 CO 0.62 0.21 0.00 0.41 -0.21 0.00 0.00 178.00 179.03 1sml n GLY 163 N -1.55 2.23 3.63 -0.55 0.00 -1.26 -4.37 105.19 103.31 1sml n GLY 163 Ca 0.17 -0.76 -0.48 0.00 0.00 0.00 0.00 46.02 44.95 1sml n GLY 163 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sml n SER 164 N 1.56 2.20 -3.96 1.61 7.64 -0.92 -4.57 113.62 117.19 1sml n SER 164 Ca 0.23 1.12 -0.18 0.00 1.01 0.00 0.00 58.87 61.05 1sml n SER 164 Cb 0.60 -1.32 -0.15 0.00 -1.01 0.00 0.00 64.21 62.33 1sml n SER 164 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1sml s THR 165 N 0.26 0.55 0.02 0.44 2.01 -0.50 -0.56 115.64 117.85 1sml s THR 165 Ca 0.76 -0.24 -0.17 0.00 0.31 0.00 0.00 61.69 62.35 1sml s THR 165 Cb -0.78 -0.50 -0.06 0.00 0.01 0.00 0.00 72.50 71.17 1sml s THR 165 CO 0.47 0.18 0.48 0.00 -0.69 0.00 0.00 174.62 175.06 1sml s ALA 166 N 0.20 3.63 -0.13 7.40 0.00 0.16 -3.77 121.76 129.26 1sml s ALA 166 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1sml s ALA 166 Cb -0.07 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.53 1sml s ALA 166 CO -0.00 0.40 -0.15 -1.58 0.00 0.00 0.00 175.76 174.43 1sml s TRP 167 N -0.90 2.77 0.08 0.00 0.52 -0.48 -0.51 118.94 120.42 1sml s TRP 167 Ca 0.26 -0.72 0.09 0.00 0.02 0.00 0.00 56.10 55.75 1sml s TRP 167 Cb -0.18 -1.83 -0.03 0.00 -1.15 0.00 0.00 33.47 30.28 1sml s TRP 167 CO 0.15 -0.25 -0.25 0.95 0.02 0.00 0.00 176.95 177.57 1sml s THR 168 N 0.37 2.03 0.21 2.01 -4.23 -0.35 -0.65 115.64 115.04 1sml s THR 168 Ca -0.12 -1.49 -0.21 0.00 -1.18 0.00 0.00 61.69 58.69 1sml s THR 168 Cb -0.16 -1.77 0.04 0.00 1.34 0.00 0.00 72.50 71.95 1sml s THR 168 CO 0.06 0.20 0.63 -1.66 -0.54 0.00 0.00 174.62 173.31 1sml s TRP 169 N -0.93 -0.34 -0.17 3.99 -2.14 -0.80 -0.67 118.94 117.88 1sml s TRP 169 Ca 0.11 0.02 -0.01 0.00 2.66 0.00 0.00 56.10 58.87 1sml s TRP 169 Cb -0.10 0.59 -0.01 0.00 -3.10 0.00 0.00 33.47 30.86 1sml s TRP 169 CO 0.03 -1.01 -0.11 0.99 -2.66 0.00 0.00 176.95 174.19 1sml s THR 170 N -3.83 2.98 0.00 0.66 2.01 -1.26 -0.53 115.64 115.66 1sml s THR 170 Ca 0.06 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.41 1sml s THR 170 Cb -0.03 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 70.19 1sml s THR 170 CO -0.04 0.49 0.00 -0.67 -0.69 0.00 0.00 174.62 173.71 1sml n ASP 171 N 4.20 1.45 -4.18 3.53 -0.08 0.35 -4.84 116.55 116.98 1sml n ASP 171 Ca -0.19 -0.48 -0.11 0.00 -1.51 0.00 0.00 54.79 52.51 1sml n ASP 171 Cb 0.52 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.88 1sml n ASP 171 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1sml s THR 172 N 0.45 0.69 -0.28 5.18 -4.23 -1.26 -0.55 115.64 115.64 1sml s THR 172 Ca 0.00 -1.94 -0.24 0.00 -1.18 0.00 0.00 61.69 58.33 1sml s THR 172 Cb 0.00 -1.73 0.10 0.00 1.34 0.00 0.00 72.50 72.21 1sml s THR 172 CO 0.00 -0.83 0.89 -0.60 -0.54 0.00 0.00 174.62 173.53 1sml s ARG 173 N -3.84 0.63 -1.54 3.99 3.52 0.36 -0.85 118.95 121.22 1sml s ARG 173 Ca 0.13 0.80 -0.05 0.00 -0.13 0.00 0.00 55.73 56.48 1sml s ARG 173 Cb 0.05 0.28 0.05 0.00 -1.56 0.00 0.00 34.95 33.77 1sml s ARG 173 CO -0.04 -0.08 0.38 0.09 -0.81 0.00 0.00 175.30 174.83 1sml n ASN 174 N 2.68 -0.61 0.00 -2.12 3.02 -1.26 -1.17 115.26 115.80 1sml n ASN 174 Ca -0.14 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 1sml n ASN 174 Cb 0.56 -2.46 0.00 0.00 -0.61 0.00 0.00 39.78 37.27 1sml n ASN 174 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1sml n GLY 175 N -1.99 0.67 3.29 7.41 0.00 -1.26 -5.00 105.19 108.31 1sml n GLY 175 Ca -0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 1sml n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sml s LYS 176 N -0.32 1.15 0.37 1.61 -0.14 -0.32 -5.12 119.74 116.97 1sml s LYS 176 Ca 0.00 -1.37 -0.28 0.00 -1.36 0.00 0.00 55.97 52.96 1sml s LYS 176 Cb 0.00 -1.02 -0.11 0.00 -1.68 0.00 0.00 37.83 35.02 1sml s LYS 176 CO 0.00 0.19 1.45 -2.30 -0.76 0.00 0.00 175.35 173.93 1sml n PRO 177 N 0.21 2.58 -3.87 -1.68 -0.02 -1.26 -0.49 135.00 130.46 1sml n PRO 177 Ca -0.13 0.90 -0.28 0.00 -2.02 0.00 0.00 63.50 61.97 1sml n PRO 177 Cb 0.58 -2.61 -0.16 0.00 -0.02 0.00 0.00 33.50 31.29 1sml n PRO 177 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1sml s VAL 178 N -1.12 1.06 -0.52 -1.45 1.01 0.28 -4.83 120.40 114.83 1sml s VAL 178 Ca 0.54 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 1sml s VAL 178 Cb -0.49 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 34.64 1sml s VAL 178 CO 0.64 0.07 0.94 -0.13 0.00 0.00 0.00 175.10 176.61 1sml s ARG 179 N 1.65 3.40 -0.10 2.72 0.52 -1.26 -0.49 118.95 125.38 1sml s ARG 179 Ca -0.00 -0.11 -0.17 0.00 -0.52 0.00 0.00 55.73 54.93 1sml s ARG 179 Cb -0.16 -4.01 -0.05 0.00 0.52 0.00 0.00 34.95 31.26 1sml s ARG 179 CO -0.07 -1.40 0.43 0.42 0.02 0.00 0.00 175.30 174.69 1sml s ILE 180 N 3.91 5.17 -0.23 1.52 1.01 0.31 -0.11 121.20 132.77 1sml s ILE 180 Ca 0.33 0.87 0.02 0.00 0.00 0.00 0.00 60.65 61.87 1sml s ILE 180 Cb -0.12 -3.77 0.05 0.00 0.01 0.00 0.00 42.46 38.64 1sml s ILE 180 CO 0.22 0.39 -0.14 0.00 0.00 0.00 0.00 174.94 175.41 1sml s ALA 181 N 0.21 2.49 -0.95 9.38 0.00 0.18 -1.91 121.76 131.17 1sml s ALA 181 Ca 0.24 -1.59 -0.15 0.00 0.00 0.00 0.00 51.96 50.46 1sml s ALA 181 Cb -0.15 -1.46 0.19 0.00 0.00 0.00 0.00 23.12 21.70 1sml s ALA 181 CO 0.10 -0.92 1.03 -0.47 0.00 0.00 0.00 175.76 175.50 1sml s TYR 182 N 1.16 3.54 0.06 0.00 5.04 0.18 -0.83 117.35 126.51 1sml s TYR 182 Ca -0.04 -1.86 -0.22 0.00 -2.44 0.00 0.00 57.07 52.51 1sml s TYR 182 Cb -0.18 -4.07 -0.06 0.00 0.35 0.00 0.00 41.96 38.00 1sml s TYR 182 CO -0.08 -1.23 0.64 0.00 -1.34 0.00 0.00 175.55 173.55 1sml s ALA 183 N 1.16 3.50 1.01 3.97 0.00 -0.61 -1.39 121.76 129.41 1sml s ALA 183 Ca 0.28 0.13 -0.12 0.00 0.00 0.00 0.00 51.96 52.25 1sml s ALA 183 Cb -0.07 -2.78 0.20 0.00 0.00 0.00 0.00 23.12 20.47 1sml s ALA 183 CO -0.08 0.27 1.09 0.34 0.00 0.00 0.00 175.76 177.37 1sml s ASP 184 N -0.71 2.46 0.36 0.00 2.15 -1.25 -4.16 116.67 115.53 1sml s ASP 184 Ca 0.32 1.21 -0.27 0.00 0.43 0.00 0.00 52.55 54.24 1sml s ASP 184 Cb -0.20 -1.89 -0.12 0.00 -0.30 0.00 0.00 42.92 40.41 1sml s ASP 184 CO 0.20 -3.24 1.28 -1.20 -0.17 0.00 0.00 175.17 172.04 1sml n SER 185 N -4.25 2.67 -0.14 -0.34 7.64 -1.26 -4.92 113.62 113.02 1sml n SER 185 Ca 0.05 1.19 0.09 0.00 1.01 0.00 0.00 58.87 61.21 1sml n SER 185 Cb 0.57 -1.48 0.14 0.00 -1.01 0.00 0.00 64.21 62.43 1sml n SER 185 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1sml n LEU 186 N 0.67 2.47 -4.88 -3.43 4.77 -1.26 -4.47 117.00 110.86 1sml n LEU 186 Ca 0.05 -3.02 -0.30 0.00 -0.03 0.00 0.00 56.01 52.70 1sml n LEU 186 Cb 0.37 -0.42 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1sml n LEU 186 CO 0.62 0.70 0.73 -0.94 -1.33 0.00 0.00 177.39 177.16 1sml s SER 187 N -2.70 5.73 -0.38 -1.43 1.04 -1.26 -4.92 113.70 109.79 1sml s SER 187 Ca 0.31 1.21 0.10 0.00 0.48 0.00 0.00 55.95 58.05 1sml s SER 187 Cb 0.27 -2.11 0.31 0.00 0.10 0.00 0.00 66.02 64.59 1sml s SER 187 CO 0.03 -1.16 0.64 0.00 0.98 0.00 0.00 173.24 173.74 1sml n ALA 188 N -2.89 2.19 -2.02 5.32 0.00 -1.26 -4.37 120.51 117.48 1sml n ALA 188 Ca 0.06 -3.40 -0.41 0.00 0.00 0.00 0.00 53.44 49.69 1sml n ALA 188 Cb 0.56 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.11 1sml n ALA 188 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sml s PRO 189 N -1.89 3.10 0.00 0.00 0.04 -1.26 -2.11 135.00 132.88 1sml s PRO 189 Ca 0.38 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1sml s PRO 189 Cb 0.27 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1sml s PRO 189 CO -0.09 -2.15 0.00 0.41 0.04 0.00 0.00 177.00 175.21 1sml n GLY 190 N 5.50 0.44 3.77 0.56 0.00 -1.26 -5.00 105.19 109.21 1sml n GLY 190 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 1sml n GLY 190 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sml s TYR 191 N -1.99 2.97 -0.38 1.61 1.51 -0.90 -5.00 117.35 115.17 1sml s TYR 191 Ca 0.00 1.56 -0.25 0.00 -1.01 0.00 0.00 57.07 57.37 1sml s TYR 191 Cb 0.00 -3.30 0.02 0.00 -0.11 0.00 0.00 41.96 38.56 1sml s TYR 191 CO 0.00 -1.27 0.88 -1.14 -1.11 0.00 0.00 175.55 172.92 1sml s GLN 192 N -2.69 3.75 -0.10 -0.62 0.74 -1.26 -4.93 119.66 114.56 1sml s GLN 192 Ca 0.63 0.42 -0.10 0.00 0.05 0.00 0.00 55.36 56.35 1sml s GLN 192 Cb -0.26 -3.83 -0.27 0.00 1.10 0.00 0.00 33.01 29.74 1sml s GLN 192 CO 0.32 -0.97 0.48 -0.07 -0.55 0.00 0.00 175.29 174.50 1sml h LEU 193 N 10.07 0.45 -9.52 3.68 3.38 -1.97 -3.43 115.31 117.98 1sml h LEU 193 Ca -0.24 -0.91 -0.62 0.00 0.09 0.00 0.00 57.88 56.21 1sml h LEU 193 Cb 1.08 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.61 1sml h LEU 193 CO 0.97 1.78 -0.32 -1.10 0.09 0.00 0.00 178.44 179.87 1sml s GLN 194 N -2.54 3.94 -1.50 1.13 -0.21 -1.26 -4.39 119.66 114.83 1sml s GLN 194 Ca -0.20 0.16 -0.11 0.00 0.02 0.00 0.00 55.36 55.23 1sml s GLN 194 Cb 0.06 -3.30 0.07 0.00 1.00 0.00 0.00 33.01 30.84 1sml s GLN 194 CO 0.78 0.53 0.87 0.41 -2.12 0.00 0.00 175.29 175.76 1sml n GLY 195 N 2.49 -0.43 3.63 3.09 0.00 -1.26 -4.94 105.19 107.76 1sml n GLY 195 Ca -0.15 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1sml n GLY 195 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sml s ASN 196 N -3.60 6.80 0.51 1.61 3.84 -1.26 -4.91 114.94 117.93 1sml s ASN 196 Ca 0.49 0.90 0.29 0.00 0.21 0.00 0.00 52.86 54.75 1sml s ASN 196 Cb -0.25 -2.46 1.32 0.00 -0.55 0.00 0.00 41.25 39.32 1sml s ASN 196 CO 0.84 -0.67 1.99 1.55 -2.79 0.00 0.00 177.10 178.02 1sml h PRO 197 N 7.96 0.00 0.00 0.43 0.13 -1.96 -1.43 132.00 137.14 1sml h PRO 197 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1sml h PRO 197 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1sml h PRO 197 CO 0.93 0.12 -0.42 0.54 -0.23 0.00 0.00 178.00 178.94 1sml n ARG 198 N -3.38 0.15 -3.07 0.86 5.12 -1.26 -4.41 116.66 110.66 1sml n ARG 198 Ca -0.01 0.06 -0.17 0.00 -1.93 0.00 0.00 57.85 55.80 1sml n ARG 198 Cb 0.31 -1.61 -0.04 0.00 -1.16 0.00 0.00 32.46 29.96 1sml n ARG 198 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1sml n TYR 199 N -1.83 -2.09 -0.04 -1.55 4.19 -0.57 -5.02 117.16 110.25 1sml n TYR 199 Ca 0.05 -2.52 0.03 0.00 3.31 0.00 0.00 57.90 58.77 1sml n TYR 199 Cb 0.39 0.72 0.39 0.00 0.49 0.00 0.00 39.34 41.33 1sml n TYR 199 CO 0.00 0.00 0.00 -1.35 0.91 0.00 0.00 176.86 176.42 1sml h PRO 200 N 4.90 0.63 -0.71 2.98 0.11 -1.69 -2.42 132.00 135.80 1sml h PRO 200 Ca 0.11 -0.04 -0.35 0.00 0.11 0.00 0.00 66.00 65.82 1sml h PRO 200 Cb 0.98 -0.14 -0.21 0.00 0.11 0.00 0.00 31.00 31.74 1sml h PRO 200 CO 0.27 0.42 0.32 0.72 -0.21 0.00 0.00 178.00 179.53 1sml n HIS 201 N -4.46 2.20 0.01 0.65 8.25 -1.26 -4.70 115.22 115.91 1sml n HIS 201 Ca 0.04 -1.69 -0.10 0.00 -0.26 0.00 0.00 57.72 55.72 1sml n HIS 201 Cb 0.06 -0.74 -0.03 0.00 1.12 0.00 0.00 29.99 30.40 1sml n HIS 201 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1sml h LEU 202 N 1.14 -0.51 -0.21 2.41 6.46 -1.72 -0.84 115.31 122.03 1sml h LEU 202 Ca 0.43 0.09 0.03 0.00 -0.12 0.00 0.00 57.88 58.31 1sml h LEU 202 Cb 2.33 0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 42.47 1sml h LEU 202 CO 0.78 -0.22 0.05 0.40 -0.62 0.00 0.00 178.44 178.84 1sml h ILE 203 N -0.22 0.92 -0.94 4.05 2.04 -1.84 -0.64 117.51 120.88 1sml h ILE 203 Ca 0.09 -0.05 0.06 0.00 1.00 0.00 0.00 64.86 65.96 1sml h ILE 203 Cb 0.35 0.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 1sml h ILE 203 CO -0.24 0.03 0.60 -0.33 0.00 0.00 0.00 178.15 178.20 1sml h GLU 204 N 0.14 1.06 -0.13 2.37 5.08 -1.85 -0.30 114.58 120.95 1sml h GLU 204 Ca 0.10 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1sml h GLU 204 Cb 0.08 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1sml h GLU 204 CO -0.12 0.70 0.01 -0.44 -1.00 0.00 0.00 179.01 178.17 1sml h ASP 205 N 1.10 0.21 -0.64 1.42 3.32 -0.52 -1.62 116.42 119.69 1sml h ASP 205 Ca 0.40 -0.28 0.04 0.00 0.02 0.00 0.00 57.03 57.20 1sml h ASP 205 Cb 0.14 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 1sml h ASP 205 CO -0.17 0.44 0.38 1.88 -1.72 0.00 0.00 179.24 180.06 1sml h TYR 206 N -0.02 0.71 -0.70 4.55 -1.99 -0.74 0.12 116.97 118.90 1sml h TYR 206 Ca 0.04 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1sml h TYR 206 Cb 0.33 -0.23 -0.03 0.00 2.00 0.00 0.00 36.73 38.80 1sml h TYR 206 CO 0.03 0.39 0.45 0.00 -0.00 0.00 0.00 178.16 179.03 1sml h ARG 207 N 0.74 0.93 -0.70 4.88 3.08 -0.85 0.21 114.38 122.68 1sml h ARG 207 Ca 0.27 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.21 1sml h ARG 207 Cb 0.07 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 1sml h ARG 207 CO -0.13 0.63 0.26 -0.09 -1.07 0.00 0.00 179.97 179.57 1sml h ARG 208 N 0.95 1.05 -0.25 0.04 2.43 -1.01 -2.78 114.38 114.82 1sml h ARG 208 Ca 0.26 -0.19 -0.11 0.00 -0.81 0.00 0.00 59.98 59.13 1sml h ARG 208 Cb -0.09 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 1sml h ARG 208 CO -0.05 0.87 -0.31 0.77 -1.51 0.00 0.00 179.97 179.73 1sml h SER 209 N 1.02 0.52 -0.38 -3.80 0.02 0.75 -0.55 113.55 111.13 1sml h SER 209 Ca 0.23 -0.20 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1sml h SER 209 Cb 0.23 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1sml h SER 209 CO -0.02 0.81 0.20 -0.26 -1.14 0.00 0.00 176.83 176.42 1sml h PHE 210 N 0.44 0.37 -0.62 3.45 0.04 -0.40 -0.81 116.94 119.41 1sml h PHE 210 Ca 0.05 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 1sml h PHE 210 Cb 0.76 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.77 1sml h PHE 210 CO 0.03 0.20 0.25 0.00 -0.60 0.00 0.00 178.31 178.19 1sml h ALA 211 N 1.19 1.28 -0.41 2.45 0.00 -1.23 -1.05 119.26 121.49 1sml h ALA 211 Ca 0.16 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1sml h ALA 211 Cb 0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1sml h ALA 211 CO -0.10 0.54 0.04 1.15 0.00 0.00 0.00 179.25 180.88 1sml h THR 212 N 0.89 1.25 -0.39 0.00 2.02 -0.61 -2.63 112.91 113.44 1sml h THR 212 Ca 0.21 -0.92 -0.05 0.00 0.77 0.00 0.00 66.41 66.42 1sml h THR 212 Cb 0.17 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1sml h THR 212 CO -0.02 0.32 0.05 0.58 0.37 0.00 0.00 175.52 176.82 1sml h VAL 213 N 0.53 1.24 -0.90 3.16 2.07 -0.94 -2.66 116.25 118.76 1sml h VAL 213 Ca 0.12 -0.89 0.17 0.00 0.82 0.00 0.00 66.70 66.92 1sml h VAL 213 Cb 0.41 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 1sml h VAL 213 CO 0.01 0.30 0.58 -0.09 0.02 0.00 0.00 177.57 178.40 1sml h ARG 214 N 0.50 0.60 -0.16 1.57 2.43 -1.03 -2.24 114.38 116.05 1sml h ARG 214 Ca 0.12 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1sml h ARG 214 Cb 0.39 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1sml h ARG 214 CO 0.01 0.39 0.00 0.00 -1.51 0.00 0.00 179.97 178.86 1sml n ALA 215 N -2.45 2.49 -1.55 2.80 0.00 -1.00 -4.33 120.51 116.47 1sml n ALA 215 Ca 0.19 -0.69 -0.35 0.00 0.00 0.00 0.00 53.44 52.59 1sml n ALA 215 Cb 0.55 -0.96 0.06 0.00 0.00 0.00 0.00 19.45 19.09 1sml n ALA 215 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sml s LEU 216 N -1.76 3.47 -0.17 0.00 1.43 -0.84 -4.93 118.68 115.88 1sml s LEU 216 Ca 0.34 2.31 -0.29 0.00 -1.03 0.00 0.00 54.13 55.46 1sml s LEU 216 Cb 0.20 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 1sml s LEU 216 CO 0.30 -1.87 1.69 -2.16 0.23 0.00 0.00 176.35 174.54 1sml s PRO 217 N -3.70 3.86 -0.45 1.29 0.04 -1.26 -4.90 135.00 129.87 1sml s PRO 217 Ca 0.74 1.87 0.07 0.00 0.04 0.00 0.00 61.00 63.71 1sml s PRO 217 Cb -0.28 -4.05 0.23 0.00 0.04 0.00 0.00 34.50 30.43 1sml s PRO 217 CO 0.39 -1.23 0.68 0.00 0.04 0.00 0.00 177.00 176.89 1sml h ASP 219 N 4.35 0.69 -3.34 0.00 3.32 -0.86 -3.44 116.42 117.15 1sml h ASP 219 Ca 0.00 -0.30 -0.50 0.00 0.02 0.00 0.00 57.03 56.26 1sml h ASP 219 Cb 0.98 -0.19 -0.35 0.00 0.22 0.00 0.00 39.33 40.00 1sml h ASP 219 CO 0.33 0.82 -0.80 -0.69 -1.72 0.00 0.00 179.24 177.17 1sml s VAL 220 N -5.05 0.98 -0.05 -1.35 1.01 -0.83 -4.95 120.40 110.17 1sml s VAL 220 Ca -0.13 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 1sml s VAL 220 Cb 0.10 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 1sml s VAL 220 CO 0.79 0.34 0.32 -0.22 0.00 0.00 0.00 175.10 176.32 1sml s LEU 221 N 1.11 4.44 0.12 3.92 2.96 -1.26 -0.64 118.68 129.32 1sml s LEU 221 Ca -0.07 0.78 0.06 0.00 -0.22 0.00 0.00 54.13 54.69 1sml s LEU 221 Cb -0.14 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 1sml s LEU 221 CO -0.01 0.34 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.45 1sml s LEU 222 N -0.99 2.39 0.04 -0.68 1.43 -0.01 -4.87 118.68 115.99 1sml s LEU 222 Ca 0.21 -0.80 -0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1sml s LEU 222 Cb -0.15 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.45 1sml s LEU 222 CO 0.10 -0.12 -0.03 0.42 0.23 0.00 0.00 176.35 176.95 1sml s THR 223 N -2.02 0.20 0.18 5.49 -4.23 -1.26 -1.57 115.64 112.43 1sml s THR 223 Ca 0.09 -1.30 -0.13 0.00 -1.18 0.00 0.00 61.69 59.16 1sml s THR 223 Cb -0.06 -0.82 0.07 0.00 1.34 0.00 0.00 72.50 73.04 1sml s THR 223 CO 0.03 -0.70 1.78 -0.65 -0.54 0.00 0.00 174.62 174.54 1sml h PRO 224 N 4.00 0.45 -4.79 3.99 0.11 -1.92 -3.22 132.00 130.63 1sml h PRO 224 Ca -0.33 -0.03 -0.70 0.00 0.11 0.00 0.00 66.00 65.05 1sml h PRO 224 Cb 1.18 -0.10 -0.19 0.00 0.11 0.00 0.00 31.00 32.00 1sml h PRO 224 CO 0.52 0.30 -0.11 -1.01 -0.21 0.00 0.00 178.00 177.48 1sml s HIS 225 N -6.13 3.13 0.41 0.65 3.76 -1.26 -1.58 115.29 114.27 1sml s HIS 225 Ca -0.13 -0.57 0.14 0.00 -0.15 0.00 0.00 55.06 54.35 1sml s HIS 225 Cb 0.14 -3.27 0.99 0.00 1.11 0.00 0.00 32.58 31.55 1sml s HIS 225 CO 0.73 -0.88 1.91 -1.00 -0.85 0.00 0.00 174.74 174.66 1sml h PRO 226 N 8.86 0.47 -0.53 8.40 0.13 -1.75 -1.42 132.00 146.15 1sml h PRO 226 Ca -0.27 -0.03 0.15 0.00 -0.87 0.00 0.00 66.00 64.98 1sml h PRO 226 Cb 1.10 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 1sml h PRO 226 CO 0.90 0.31 0.38 0.78 -0.23 0.00 0.00 178.00 180.14 1sml h GLY 227 N 0.48 0.00 2.00 1.56 0.00 -1.91 -1.30 103.07 103.91 1sml h GLY 227 Ca 0.38 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.67 1sml h GLY 227 CO -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 176.54 176.23 1sml h ALA 228 N 1.73 1.27 -0.25 3.60 0.00 -1.61 -2.13 119.26 121.88 1sml h ALA 228 Ca 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sml h ALA 228 Cb 1.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1sml h ALA 228 CO -0.00 0.22 0.00 -1.13 0.00 0.00 0.00 179.25 178.34 1sml n SER 229 N -3.70 3.05 -3.10 0.00 3.41 -0.58 -4.94 113.62 107.76 1sml n SER 229 Ca -0.02 -2.37 -0.23 0.00 -0.26 0.00 0.00 58.87 55.99 1sml n SER 229 Cb 0.29 -0.31 0.04 0.00 -0.26 0.00 0.00 64.21 63.98 1sml n SER 229 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sml n ASN 230 N -0.05 -6.16 -4.85 4.04 3.02 -0.80 -0.25 115.26 110.21 1sml n ASN 230 Ca 0.13 -0.32 -0.32 0.00 -0.03 0.00 0.00 54.58 54.04 1sml n ASN 230 Cb 0.56 -4.96 -0.06 0.00 -0.61 0.00 0.00 39.78 34.71 1sml n ASN 230 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1sml s TRP 231 N -3.20 3.38 -0.42 3.10 0.52 -0.65 -3.61 118.94 118.07 1sml s TRP 231 Ca 0.34 1.17 0.02 0.00 0.02 0.00 0.00 56.10 57.65 1sml s TRP 231 Cb -0.15 -2.50 0.14 0.00 -1.15 0.00 0.00 33.47 29.80 1sml s TRP 231 CO 0.42 0.10 0.23 0.34 0.02 0.00 0.00 176.95 178.06 1sml s ASP 232 N -2.34 3.50 0.62 2.95 2.15 -0.29 -4.07 116.67 119.19 1sml s ASP 232 Ca 0.53 -2.52 0.33 0.00 0.43 0.00 0.00 52.55 51.32 1sml s ASP 232 Cb -0.10 -0.89 1.86 0.00 -0.30 0.00 0.00 42.92 43.49 1sml s ASP 232 CO 0.19 -0.28 2.17 1.88 -0.17 0.00 0.00 175.17 178.96 1sml h TYR 233 N 6.80 0.00 -0.00 -5.34 0.05 -1.80 0.84 116.97 117.52 1sml h TYR 233 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1sml h TYR 233 Cb 0.94 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.68 1sml h TYR 233 CO 0.47 0.00 -0.01 0.00 -1.05 0.00 0.00 178.16 177.57 1sml n ALA 234 N -2.22 2.65 -0.26 3.88 0.00 -1.26 -4.00 120.51 119.30 1sml n ALA 234 Ca -0.01 -0.22 0.06 0.00 0.00 0.00 0.00 53.44 53.27 1sml n ALA 234 Cb 0.23 -1.46 0.29 0.00 0.00 0.00 0.00 19.45 18.51 1sml n ALA 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sml n ALA 235 N -0.94 3.28 -0.52 0.00 0.00 0.29 -5.00 120.51 117.63 1sml n ALA 235 Ca 0.20 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.33 1sml n ALA 235 Cb 0.18 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1sml n ALA 235 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sml n GLY 236 N 0.67 2.53 0.24 0.00 0.00 -1.26 -1.47 105.19 105.91 1sml n GLY 236 Ca 0.20 0.36 0.17 0.00 0.00 0.00 0.00 46.02 46.74 1sml n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sml h ALA 237 N -0.52 1.00 -0.15 4.61 0.00 -1.96 -1.20 119.26 121.04 1sml h ALA 237 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sml h ALA 237 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1sml h ALA 237 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 1sml n ARG 238 N -2.74 2.42 -0.25 0.00 5.12 -0.54 -4.74 116.66 115.93 1sml n ARG 238 Ca -0.01 -2.40 0.05 0.00 -1.93 0.00 0.00 57.85 53.57 1sml n ARG 238 Cb 0.16 -1.50 0.18 0.00 -1.16 0.00 0.00 32.46 30.14 1sml n ARG 238 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1sml h ALA 239 N 0.98 0.92 -0.52 7.54 0.00 -1.19 -1.87 119.26 125.13 1sml h ALA 239 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1sml h ALA 239 Cb 1.02 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1sml h ALA 239 CO 0.08 -0.36 0.00 0.41 0.00 0.00 0.00 179.25 179.38 1sml n GLY 240 N -1.36 1.93 0.34 0.00 0.00 -1.26 -1.14 105.19 103.70 1sml n GLY 240 Ca 0.14 -0.74 -0.04 0.00 0.00 0.00 0.00 46.02 45.38 1sml n GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sml h ALA 241 N 4.41 1.11 -0.26 4.61 0.00 -1.66 -1.76 119.26 125.71 1sml h ALA 241 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1sml h ALA 241 Cb 0.95 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1sml h ALA 241 CO 0.00 0.60 0.00 1.63 0.00 0.00 0.00 179.25 181.48 1sml n LYS 242 N -4.38 1.91 -1.66 0.00 5.02 -1.26 -4.97 118.16 112.81 1sml n LYS 242 Ca 0.09 -1.38 -0.43 0.00 -2.02 0.00 0.00 58.31 54.57 1sml n LYS 242 Cb 0.08 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 33.68 1sml n LYS 242 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sml n ALA 243 N 0.60 0.77 -1.29 7.82 0.00 -0.66 -4.75 120.51 123.00 1sml n ALA 243 Ca 0.16 0.37 -0.32 0.00 0.00 0.00 0.00 53.44 53.65 1sml n ALA 243 Cb 0.38 -2.17 0.09 0.00 0.00 0.00 0.00 19.45 17.74 1sml n ALA 243 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1sml s LEU 244 N -0.50 3.16 0.84 0.00 1.43 0.65 -4.99 118.68 119.27 1sml s LEU 244 Ca 0.57 1.98 -0.12 0.00 -1.03 0.00 0.00 54.13 55.53 1sml s LEU 244 Cb -0.62 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.15 1sml s LEU 244 CO 0.61 -2.05 1.11 0.42 0.23 0.00 0.00 176.35 176.68 1sml s THR 245 N -2.59 2.66 0.23 5.49 -4.23 -1.26 -4.33 115.64 111.60 1sml s THR 245 Ca 0.65 0.21 -0.08 0.00 -1.18 0.00 0.00 61.69 61.29 1sml s THR 245 Cb -0.20 -2.98 0.20 0.00 1.34 0.00 0.00 72.50 70.86 1sml s THR 245 CO 0.50 -0.28 1.87 0.00 -0.54 0.00 0.00 174.62 176.18 1sml h LYS 247 N 1.19 0.69 -0.18 0.00 1.57 -1.81 0.59 116.57 118.62 1sml h LYS 247 Ca 0.31 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.87 1sml h LYS 247 Cb -0.05 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 1sml h LYS 247 CO -0.06 0.46 -0.61 0.00 -0.57 0.00 0.00 179.45 178.67 1sml h ALA 248 N 1.23 0.60 -0.14 3.86 0.00 -1.77 -1.21 119.26 121.83 1sml h ALA 248 Ca 0.22 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1sml h ALA 248 Cb -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1sml h ALA 248 CO -0.08 0.70 0.06 -0.92 0.00 0.00 0.00 179.25 179.01 1sml h TYR 249 N 0.45 0.21 -0.49 0.00 3.20 -0.68 -0.50 116.97 119.15 1sml h TYR 249 Ca -0.00 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1sml h TYR 249 Cb 1.18 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.36 1sml h TYR 249 CO 0.05 0.28 0.32 0.00 -1.64 0.00 0.00 178.16 177.18 1sml h ALA 250 N 0.90 0.62 -0.53 1.82 0.00 -0.82 -0.97 119.26 120.29 1sml h ALA 250 Ca 0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1sml h ALA 250 Cb 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1sml h ALA 250 CO -0.00 0.06 0.26 0.22 0.00 0.00 0.00 179.25 179.78 1sml h ASP 251 N 0.66 0.70 -0.68 0.00 3.58 -1.09 -0.42 116.42 119.16 1sml h ASP 251 Ca 0.18 -0.13 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 1sml h ASP 251 Cb -0.07 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.77 1sml h ASP 251 CO -0.04 0.63 0.25 0.00 -2.88 0.00 0.00 179.24 177.20 1sml h ALA 252 N 1.09 0.89 -0.51 -0.78 0.00 -0.85 -0.70 119.26 118.40 1sml h ALA 252 Ca 0.18 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1sml h ALA 252 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1sml h ALA 252 CO -0.02 0.53 -0.06 0.00 0.00 0.00 0.00 179.25 179.70 1sml h ALA 253 N 1.11 0.92 -0.32 0.00 0.00 -0.91 -0.94 119.26 119.13 1sml h ALA 253 Ca 0.22 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1sml h ALA 253 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1sml h ALA 253 CO -0.01 0.63 -0.13 1.49 0.00 0.00 0.00 179.25 181.23 1sml h GLU 254 N 0.83 0.65 -0.73 0.00 4.81 -0.80 0.06 114.58 119.39 1sml h GLU 254 Ca 0.14 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1sml h GLU 254 Cb 0.58 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1sml h GLU 254 CO 0.04 0.85 0.41 1.96 -0.73 0.00 0.00 179.01 181.54 1sml h GLN 255 N 0.42 1.02 -0.59 1.92 1.08 -1.00 0.16 115.11 118.11 1sml h GLN 255 Ca 0.07 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 1sml h GLN 255 Cb 0.64 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.85 1sml h GLN 255 CO 0.04 0.75 0.21 0.87 -0.95 0.00 0.00 178.83 179.75 1sml h LYS 256 N 1.01 0.91 -0.24 1.46 1.57 -0.95 -2.20 116.57 118.12 1sml h LYS 256 Ca 0.26 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1sml h LYS 256 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1sml h LYS 256 CO -0.04 0.80 0.13 0.35 -0.57 0.00 0.00 179.45 180.11 1sml h PHE 257 N 0.84 0.34 -0.87 -1.35 3.57 -0.54 -0.90 116.94 118.02 1sml h PHE 257 Ca 0.19 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.71 1sml h PHE 257 Cb 0.25 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 1sml h PHE 257 CO 0.02 0.31 0.57 -0.44 -2.23 0.00 0.00 178.31 176.54 1sml h ASP 258 N 0.27 0.96 -0.37 0.41 3.32 -0.56 0.75 116.42 121.20 1sml h ASP 258 Ca 0.08 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1sml h ASP 258 Cb 0.09 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1sml h ASP 258 CO -0.01 0.67 0.21 1.23 -1.72 0.00 0.00 179.24 179.61 1sml h GLY 259 N 1.12 0.55 0.98 2.75 0.00 -1.00 -1.61 103.07 105.85 1sml h GLY 259 Ca 0.34 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1sml h GLY 259 CO -0.09 0.23 0.25 -1.61 0.00 0.00 0.00 176.54 175.33 1sml h GLN 260 N 0.47 0.71 -0.23 4.80 4.15 -0.41 0.17 115.11 124.77 1sml h GLN 260 Ca 0.13 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.49 1sml h GLN 260 Cb 0.05 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 1sml h GLN 260 CO -0.02 0.58 0.03 1.25 -1.93 0.00 0.00 178.83 178.74 1sml h LEU 261 N 0.66 -0.02 -0.74 -2.39 5.85 -0.61 0.73 115.31 118.80 1sml h LEU 261 Ca 0.17 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1sml h LEU 261 Cb 0.09 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1sml h LEU 261 CO -0.02 0.02 0.49 0.00 -0.34 0.00 0.00 178.44 178.59 1sml h ALA 262 N 1.17 0.94 -0.03 1.25 0.00 -1.04 -1.02 119.26 120.53 1sml h ALA 262 Ca 0.10 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1sml h ALA 262 Cb 0.11 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1sml h ALA 262 CO -0.15 0.36 -0.47 0.87 0.00 0.00 0.00 179.25 179.86 1sml h LYS 263 N 1.00 0.08 -0.24 0.00 1.57 -0.46 -1.86 116.57 116.66 1sml h LYS 263 Ca 0.27 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.86 1sml h LYS 263 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1sml h LYS 263 CO -0.06 0.53 -0.45 1.49 -0.57 0.00 0.00 179.45 180.40 1sml h GLU 264 N 0.06 0.72 -0.82 3.15 4.81 -0.33 0.12 114.58 122.29 1sml h GLU 264 Ca 0.00 -0.46 0.02 0.00 -0.13 0.00 0.00 59.36 58.79 1sml h GLU 264 Cb 0.86 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.25 1sml h GLU 264 CO 0.06 1.08 0.54 1.15 -0.73 0.00 0.00 179.01 181.12 1sml h THR 265 N 0.45 1.16 0.00 0.32 2.02 -1.05 -1.58 112.91 114.23 1sml h THR 265 Ca 0.01 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 1sml h THR 265 Cb 1.05 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 1sml h THR 265 CO 0.10 0.19 -0.05 0.00 0.37 0.00 0.00 175.52 176.13 1sml h ALA 266 N 1.51 0.97 -0.01 6.16 0.00 -1.00 -3.52 119.26 123.37 1sml h ALA 266 Ca 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1sml h ALA 266 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1sml h ALA 266 CO -0.08 0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.64