#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1thk s HIS 4 N 0.00 0.01 0.62 1.57 4.02 -1.26 -5.16 115.29 115.09 1thk s HIS 4 Ca 0.00 -0.53 -0.18 0.00 1.02 0.00 0.00 55.06 55.37 1thk s HIS 4 Cb 0.00 0.76 -0.02 0.00 -1.02 0.00 0.00 32.58 32.30 1thk s HIS 4 CO 0.00 -1.25 1.18 1.67 1.02 0.00 0.00 174.74 177.36 1thk s TRP 5 N -2.72 2.40 0.00 1.40 1.48 -1.26 -4.84 118.94 115.40 1thk s TRP 5 Ca 0.16 1.54 0.00 0.00 -1.06 0.00 0.00 56.10 56.74 1thk s TRP 5 Cb -0.04 -3.41 0.00 0.00 -1.16 0.00 0.00 33.47 28.86 1thk s TRP 5 CO 0.08 -2.12 0.00 0.41 -4.06 0.00 0.00 176.95 171.25 1thk n GLY 6 N 0.28 2.52 0.16 3.67 0.00 -0.55 -5.04 105.19 106.24 1thk n GLY 6 Ca 0.13 -0.51 0.08 0.00 0.00 0.00 0.00 46.02 45.72 1thk n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1thk n TYR 7 N 0.00 0.00 -2.32 1.61 4.02 -1.26 -3.82 117.16 115.39 1thk n TYR 7 Ca 0.00 -0.88 -0.26 0.00 -0.01 0.00 0.00 57.90 56.75 1thk n TYR 7 Cb 0.00 -0.14 0.14 0.00 -0.02 0.00 0.00 39.34 39.32 1thk n TYR 7 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1thk s GLY 8 N -2.63 1.77 0.43 2.72 0.00 -1.26 -4.69 107.32 103.65 1thk s GLY 8 Ca 0.28 -1.52 0.14 0.00 0.00 0.00 0.00 44.72 43.61 1thk s GLY 8 CO 0.02 -0.87 1.96 1.70 0.00 0.00 0.00 173.10 175.91 1thk h LYS 9 N -0.99 0.03 -0.00 2.90 3.64 -1.97 0.30 116.57 120.48 1thk h LYS 9 Ca -0.40 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1thk h LYS 9 Cb 1.25 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1thk h LYS 9 CO 0.39 0.24 -0.99 0.72 -2.27 0.00 0.00 179.45 177.54 1thk n HIS 10 N -4.28 0.00 -1.26 1.91 8.25 -1.26 -4.47 115.22 114.11 1thk n HIS 10 Ca -0.02 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1thk n HIS 10 Cb 0.27 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.39 1thk n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1thk n ASN 11 N -1.48 0.29 -3.45 0.41 0.23 -1.18 -4.97 115.26 105.10 1thk n ASN 11 Ca 0.04 -1.54 -0.31 0.00 -0.53 0.00 0.00 54.58 52.25 1thk n ASN 11 Cb 0.33 -0.09 0.27 0.00 -2.08 0.00 0.00 39.78 38.21 1thk n ASN 11 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1thk n GLY 12 N -0.12 -3.19 0.44 4.83 0.00 0.10 -1.48 105.19 105.78 1thk n GLY 12 Ca 0.01 -1.43 0.27 0.00 0.00 0.00 0.00 46.02 44.87 1thk n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1thk h PRO 13 N 0.00 0.27 0.00 1.61 0.11 -1.84 0.18 132.00 132.32 1thk h PRO 13 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1thk h PRO 13 Cb 1.30 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1thk h PRO 13 CO 0.26 0.18 0.00 -0.85 -0.21 0.00 0.00 178.00 177.38 1thk n GLU 14 N -4.54 0.20 -0.02 1.05 0.00 -1.26 -2.79 120.64 113.28 1thk n GLU 14 Ca 0.27 0.47 0.09 0.00 0.00 0.00 0.00 57.16 57.98 1thk n GLU 14 Cb 1.01 -1.91 -0.16 0.00 0.00 0.00 0.00 31.44 30.38 1thk n GLU 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1thk n HIS 15 N -2.29 0.00 -0.28 -1.84 8.25 0.61 -4.62 115.22 115.05 1thk n HIS 15 Ca 0.01 0.00 0.24 0.00 -0.26 0.00 0.00 57.72 57.72 1thk n HIS 15 Cb 0.20 -0.53 0.57 0.00 1.12 0.00 0.00 29.99 31.35 1thk n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1thk h TRP 16 N 0.00 0.45 -0.10 4.41 6.55 -1.39 -2.31 115.95 123.57 1thk h TRP 16 Ca -0.05 0.02 0.03 0.00 0.95 0.00 0.00 58.89 59.83 1thk h TRP 16 Cb 1.09 -0.13 -0.00 0.00 -0.86 0.00 0.00 29.16 29.25 1thk h TRP 16 CO 0.00 0.07 0.10 1.12 -1.05 0.00 0.00 178.44 178.68 1thk h HIS 17 N 0.29 0.00 -0.44 0.49 2.07 -1.79 0.12 115.15 115.89 1thk h HIS 17 Ca 0.53 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.97 1thk h HIS 17 Cb 1.54 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.50 1thk h HIS 17 CO -0.00 0.00 -0.07 0.87 -3.07 0.00 0.00 177.93 175.66 1thk h LYS 18 N 0.00 0.77 0.00 5.12 1.57 -1.77 -2.69 116.57 119.57 1thk h LYS 18 Ca 0.05 -0.23 -0.12 0.00 -1.87 0.00 0.00 60.65 58.47 1thk h LYS 18 Cb 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1thk h LYS 18 CO -0.00 0.82 -1.84 -0.25 -0.57 0.00 0.00 179.45 177.62 1thk n ASP 19 N -4.19 0.29 -3.59 0.86 8.00 -0.83 -4.71 116.55 112.39 1thk n ASP 19 Ca 0.02 0.12 -0.28 0.00 0.71 0.00 0.00 54.79 55.36 1thk n ASP 19 Cb 0.34 1.19 -0.12 0.00 -0.02 0.00 0.00 41.12 42.51 1thk n ASP 19 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1thk s PHE 20 N -3.15 1.78 0.51 1.24 0.08 0.35 -4.99 117.98 113.80 1thk s PHE 20 Ca -0.06 -2.46 0.32 0.00 0.12 0.00 0.00 56.93 54.84 1thk s PHE 20 Cb 0.11 -1.54 1.44 0.00 -0.57 0.00 0.00 43.02 42.45 1thk s PHE 20 CO 0.86 -0.76 1.81 -1.35 -0.10 0.00 0.00 175.22 175.68 1thk h PRO 21 N 6.08 0.08 0.00 0.24 0.11 -1.72 -0.07 132.00 136.72 1thk h PRO 21 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1thk h PRO 21 Cb 0.89 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1thk h PRO 21 CO 0.46 0.06 0.00 1.51 -0.21 0.00 0.00 178.00 179.81 1thk n ILE 22 N -4.30 1.61 0.29 4.15 3.06 -1.26 -2.09 119.36 120.82 1thk n ILE 22 Ca 0.24 0.44 0.18 0.00 -2.50 0.00 0.00 62.75 61.11 1thk n ILE 22 Cb 1.11 -1.36 0.98 0.00 0.54 0.00 0.00 39.64 40.91 1thk n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1thk h ALA 23 N 2.15 1.41 -0.54 1.51 0.00 -1.32 0.46 119.26 122.93 1thk h ALA 23 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1thk h ALA 23 Cb 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 1thk h ALA 23 CO 0.00 -0.14 0.15 1.63 0.00 0.00 0.00 179.25 180.89 1thk n LYS 24 N -3.45 2.97 -0.57 0.00 5.02 -0.89 -4.97 118.16 116.28 1thk n LYS 24 Ca -0.01 -3.05 -0.20 0.00 -2.02 0.00 0.00 58.31 53.03 1thk n LYS 24 Cb 0.19 -2.03 0.17 0.00 -0.02 0.00 0.00 35.03 33.35 1thk n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1thk n GLY 25 N -0.55 -2.95 0.11 0.72 0.00 0.16 -5.00 105.19 97.68 1thk n GLY 25 Ca 0.35 -1.43 0.12 0.00 0.00 0.00 0.00 46.02 45.06 1thk n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1thk h GLU 26 N 0.00 0.00 -1.71 1.61 4.39 -1.96 -3.39 114.58 113.53 1thk h GLU 26 Ca -0.27 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 58.95 1thk h GLU 26 Cb 0.85 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.09 1thk h GLU 26 CO 0.17 0.00 -1.06 2.89 -1.16 0.00 0.00 179.01 179.86 1thk n ARG 27 N -2.48 1.66 -2.92 2.33 1.85 -1.26 -4.71 116.66 111.13 1thk n ARG 27 Ca 0.02 -3.71 -0.31 0.00 -1.00 0.00 0.00 57.85 52.85 1thk n ARG 27 Cb 0.50 -1.72 -0.04 0.00 -1.05 0.00 0.00 32.46 30.15 1thk n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1thk s GLN 28 N -2.92 3.87 0.20 2.89 -1.52 -1.26 -2.73 119.66 118.19 1thk s GLN 28 Ca 0.39 0.58 0.08 0.00 -1.95 0.00 0.00 55.36 54.46 1thk s GLN 28 Cb 0.38 -2.38 -0.05 0.00 -0.22 0.00 0.00 33.01 30.74 1thk s GLN 28 CO -0.07 0.01 -0.15 -1.12 -0.25 0.00 0.00 175.29 173.72 1thk s SER 29 N -2.83 2.56 0.97 5.90 0.01 -1.26 -4.68 113.70 114.36 1thk s SER 29 Ca 0.53 -0.99 -0.15 0.00 1.31 0.00 0.00 55.95 56.64 1thk s SER 29 Cb -0.10 -0.14 0.21 0.00 0.21 0.00 0.00 66.02 66.20 1thk s SER 29 CO 0.26 -0.15 1.32 -2.16 0.41 0.00 0.00 173.24 172.92 1thk s PRO 30 N -3.51 0.53 0.15 12.44 0.04 -1.26 -4.65 135.00 138.75 1thk s PRO 30 Ca 0.21 -0.54 -0.01 0.00 0.04 0.00 0.00 61.00 60.69 1thk s PRO 30 Cb -0.01 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1thk s PRO 30 CO 0.07 -2.46 0.09 0.14 0.04 0.00 0.00 177.00 174.88 1thk s VAL 31 N -3.88 0.07 -0.07 -0.36 -7.23 -1.26 0.25 120.40 107.92 1thk s VAL 31 Ca 0.75 -1.91 -0.19 0.00 -1.81 0.00 0.00 61.98 58.82 1thk s VAL 31 Cb -0.03 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 1thk s VAL 31 CO 0.53 -0.32 0.54 -0.62 -0.31 0.00 0.00 175.10 174.92 1thk s ASP 32 N -3.08 6.81 -0.42 4.85 2.15 -1.26 -3.21 116.67 122.51 1thk s ASP 32 Ca 0.28 0.97 -0.20 0.00 0.43 0.00 0.00 52.55 54.04 1thk s ASP 32 Cb 0.07 -2.32 0.02 0.00 -0.30 0.00 0.00 42.92 40.39 1thk s ASP 32 CO 0.05 0.02 0.57 -0.63 -0.17 0.00 0.00 175.17 175.01 1thk s ILE 33 N 0.36 4.92 -0.58 4.11 1.01 0.86 -4.94 121.20 126.94 1thk s ILE 33 Ca 0.29 0.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.72 1thk s ILE 33 Cb -0.16 -4.14 0.06 0.00 0.01 0.00 0.00 42.46 38.22 1thk s ILE 33 CO 0.13 -0.51 0.89 -0.62 0.00 0.00 0.00 174.94 174.83 1thk s ASP 34 N 1.92 6.26 0.62 3.58 -1.08 -1.26 -0.45 116.67 126.26 1thk s ASP 34 Ca 0.19 -0.68 0.34 0.00 -0.52 0.00 0.00 52.55 51.88 1thk s ASP 34 Cb -0.15 -2.40 1.98 0.00 -1.46 0.00 0.00 42.92 40.89 1thk s ASP 34 CO 0.17 -1.23 2.25 0.71 0.52 0.00 0.00 175.17 177.58 1thk h THR 35 N 5.97 0.32 0.00 1.71 1.35 -1.95 -1.62 112.91 118.70 1thk h THR 35 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1thk h THR 35 Cb 1.08 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1thk h THR 35 CO 1.10 0.00 -0.76 1.41 -0.25 0.00 0.00 175.52 177.02 1thk n HIS 36 N -3.55 0.32 0.31 4.73 8.25 -1.26 -3.97 115.22 120.05 1thk n HIS 36 Ca -0.02 0.09 0.09 0.00 -0.26 0.00 0.00 57.72 57.63 1thk n HIS 36 Cb 0.14 -0.48 -0.13 0.00 1.12 0.00 0.00 29.99 30.64 1thk n HIS 36 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1thk n THR 37 N -1.92 0.00 -2.11 1.59 -1.04 -0.73 -4.95 114.28 105.13 1thk n THR 37 Ca 0.03 -0.30 -0.41 0.00 -2.04 0.00 0.00 64.05 61.33 1thk n THR 37 Cb 0.41 0.40 -0.02 0.00 -1.82 0.00 0.00 70.33 69.30 1thk n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1thk s ALA 38 N -3.12 3.51 -0.20 2.41 0.00 -0.69 -4.83 121.76 118.84 1thk s ALA 38 Ca -0.02 1.26 -0.08 0.00 0.00 0.00 0.00 51.96 53.12 1thk s ALA 38 Cb 0.13 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 1thk s ALA 38 CO 0.78 -0.65 0.09 0.21 0.00 0.00 0.00 175.76 176.19 1thk s LYS 39 N -1.57 4.02 -0.02 0.00 2.20 -0.44 -4.84 119.74 119.09 1thk s LYS 39 Ca 0.50 -0.32 -0.30 0.00 -0.36 0.00 0.00 55.97 55.50 1thk s LYS 39 Cb -0.40 -3.31 -0.06 0.00 -1.51 0.00 0.00 37.83 32.56 1thk s LYS 39 CO 0.51 0.22 1.49 -0.47 -0.36 0.00 0.00 175.35 176.74 1thk s TYR 40 N 0.54 2.57 -0.39 4.03 5.04 -1.26 -0.77 117.35 127.11 1thk s TYR 40 Ca 0.05 0.60 -0.04 0.00 -2.44 0.00 0.00 57.07 55.25 1thk s TYR 40 Cb -0.12 -3.76 0.09 0.00 0.35 0.00 0.00 41.96 38.52 1thk s TYR 40 CO 0.01 -2.95 0.17 0.34 -1.34 0.00 0.00 175.55 171.78 1thk s ASP 41 N 2.32 5.24 0.63 4.32 -1.08 -0.61 -4.89 116.67 122.60 1thk s ASP 41 Ca 0.67 -1.80 0.34 0.00 -0.52 0.00 0.00 52.55 51.24 1thk s ASP 41 Cb -0.32 -1.83 1.90 0.00 -1.46 0.00 0.00 42.92 41.20 1thk s ASP 41 CO 0.27 -0.48 2.16 -0.65 0.52 0.00 0.00 175.17 176.98 1thk h PRO 42 N 8.09 0.00 -0.00 4.34 0.11 -1.94 -1.53 132.00 141.08 1thk h PRO 42 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1thk h PRO 42 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1thk h PRO 42 CO 0.67 0.00 -0.04 -1.13 -0.21 0.00 0.00 178.00 177.29 1thk n SER 43 N -3.41 0.12 -4.66 -2.05 3.41 -1.26 -4.81 113.62 100.96 1thk n SER 43 Ca -0.01 -0.23 -0.43 0.00 -0.26 0.00 0.00 58.87 57.94 1thk n SER 43 Cb 0.24 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 1thk n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1thk s LEU 44 N -2.57 4.24 0.50 1.04 1.43 -0.58 -5.00 118.68 117.74 1thk s LEU 44 Ca 0.28 1.90 -0.18 0.00 -1.03 0.00 0.00 54.13 55.10 1thk s LEU 44 Cb 0.20 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.80 1thk s LEU 44 CO 0.47 -0.80 0.99 -0.75 0.23 0.00 0.00 176.35 176.49 1thk s LYS 45 N 3.48 3.96 0.72 1.70 2.20 -1.23 -4.97 119.74 125.59 1thk s LYS 45 Ca 0.61 1.05 -0.15 0.00 -0.36 0.00 0.00 55.97 57.12 1thk s LYS 45 Cb -0.26 -2.14 0.03 0.00 -1.51 0.00 0.00 37.83 33.95 1thk s LYS 45 CO 0.21 -0.27 1.21 -2.14 -0.36 0.00 0.00 175.35 174.00 1thk s PRO 46 N -3.79 2.21 0.41 4.03 0.02 -1.26 -2.37 135.00 134.25 1thk s PRO 46 Ca 0.61 1.78 -0.23 0.00 0.02 0.00 0.00 61.00 63.18 1thk s PRO 46 Cb -0.11 -1.84 -0.09 0.00 0.02 0.00 0.00 34.50 32.49 1thk s PRO 46 CO 0.26 -1.79 1.05 -0.51 -0.33 0.00 0.00 177.00 175.68 1thk s LEU 47 N -5.05 4.09 -0.27 -5.54 1.43 -1.26 -1.82 118.68 110.26 1thk s LEU 47 Ca 0.75 2.02 0.02 0.00 -1.03 0.00 0.00 54.13 55.89 1thk s LEU 47 Cb -0.30 -4.25 0.07 0.00 0.03 0.00 0.00 46.19 41.74 1thk s LEU 47 CO 0.44 -0.54 -0.06 -0.55 0.23 0.00 0.00 176.35 175.88 1thk s SER 48 N -1.64 4.31 -0.28 2.29 0.15 0.30 -4.88 113.70 113.95 1thk s SER 48 Ca 0.59 -1.47 -0.06 0.00 0.70 0.00 0.00 55.95 55.71 1thk s SER 48 Cb -0.21 -1.43 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 1thk s SER 48 CO 0.26 -0.25 0.06 -0.69 1.20 0.00 0.00 173.24 173.83 1thk s VAL 49 N 1.17 3.91 -0.56 4.45 1.01 -1.26 -0.91 120.40 128.20 1thk s VAL 49 Ca -0.04 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1thk s VAL 49 Cb -0.19 -2.97 0.14 0.00 0.00 0.00 0.00 36.38 33.36 1thk s VAL 49 CO -0.07 0.15 0.33 -0.44 0.00 0.00 0.00 175.10 175.07 1thk s SER 50 N 1.50 4.63 0.00 3.32 0.01 -0.44 -4.89 113.70 117.83 1thk s SER 50 Ca 0.03 -2.98 0.11 0.00 1.31 0.00 0.00 55.95 54.42 1thk s SER 50 Cb -0.17 -1.71 0.27 0.00 0.21 0.00 0.00 66.02 64.62 1thk s SER 50 CO 0.02 -0.27 1.18 -1.22 0.41 0.00 0.00 173.24 173.36 1thk n TYR 51 N 3.20 0.38 0.00 2.43 4.01 -1.26 -1.45 117.16 124.47 1thk n TYR 51 Ca 0.06 -0.40 0.16 0.00 -0.16 0.00 0.00 57.90 57.56 1thk n TYR 51 Cb 0.34 -0.02 0.62 0.00 -0.31 0.00 0.00 39.34 39.96 1thk n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1thk h ASP 52 N 2.09 0.13 -0.50 7.72 2.03 -1.90 -2.06 116.42 123.92 1thk h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1thk h ASP 52 Cb 0.69 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.16 1thk h ASP 52 CO 0.00 0.08 0.00 0.00 -1.03 0.00 0.00 179.24 178.29 1thk n GLN 53 N -4.43 3.61 -1.69 4.15 1.13 -1.24 -5.02 117.38 113.87 1thk n GLN 53 Ca 0.08 -2.80 -0.43 0.00 -1.94 0.00 0.00 57.00 51.91 1thk n GLN 53 Cb 0.46 -1.85 -0.01 0.00 0.11 0.00 0.00 30.24 28.95 1thk n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1thk n ALA 54 N 0.58 1.30 -3.84 -1.58 0.00 -0.78 -4.61 120.51 111.58 1thk n ALA 54 Ca 0.23 0.37 -0.30 0.00 0.00 0.00 0.00 53.44 53.74 1thk n ALA 54 Cb 0.87 -2.27 -0.15 0.00 0.00 0.00 0.00 19.45 17.91 1thk n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1thk s THR 55 N -0.80 1.50 0.55 0.00 2.01 -1.26 -4.91 115.64 112.72 1thk s THR 55 Ca 0.59 -1.95 -0.17 0.00 0.31 0.00 0.00 61.69 60.47 1thk s THR 55 Cb -0.58 -2.11 -0.06 0.00 0.01 0.00 0.00 72.50 69.76 1thk s THR 55 CO 0.59 -0.68 1.04 -0.94 -0.69 0.00 0.00 174.62 173.93 1thk s SER 56 N 1.14 6.12 0.03 3.53 1.04 -1.26 -1.01 113.70 123.28 1thk s SER 56 Ca 0.11 1.79 0.00 0.00 0.48 0.00 0.00 55.95 58.34 1thk s SER 56 Cb -0.19 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.39 1thk s SER 56 CO -0.15 -0.93 0.00 0.18 0.98 0.00 0.00 173.24 173.32 1thk n LEU 57 N -1.63 0.22 -3.67 2.42 4.77 1.00 -4.29 117.00 115.83 1thk n LEU 57 Ca 0.08 0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 1thk n LEU 57 Cb 0.53 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 1thk n LEU 57 CO 0.45 -0.21 0.19 -0.60 -1.33 0.00 0.00 177.39 175.89 1thk s ARG 58 N -2.00 1.16 -0.01 3.23 3.52 -1.20 -1.53 118.95 122.12 1thk s ARG 58 Ca 0.00 -0.76 0.07 0.00 -0.13 0.00 0.00 55.73 54.91 1thk s ARG 58 Cb 0.00 0.48 -0.02 0.00 -1.56 0.00 0.00 34.95 33.86 1thk s ARG 58 CO 0.00 -0.47 -0.21 -1.50 -0.81 0.00 0.00 175.30 172.32 1thk s ILE 59 N -3.83 1.64 0.04 4.11 2.07 -0.46 -0.43 121.20 124.34 1thk s ILE 59 Ca 0.05 -0.94 -0.15 0.00 -1.41 0.00 0.00 60.65 58.21 1thk s ILE 59 Cb 0.01 -1.37 0.02 0.00 0.13 0.00 0.00 42.46 41.25 1thk s ILE 59 CO -0.09 0.42 0.32 -1.48 -1.91 0.00 0.00 174.94 172.20 1thk s LEU 60 N -0.60 0.79 -0.35 8.50 2.34 -0.05 -1.04 118.68 128.27 1thk s LEU 60 Ca 0.08 -0.14 -0.12 0.00 0.06 0.00 0.00 54.13 54.01 1thk s LEU 60 Cb -0.08 1.42 -0.00 0.00 -0.56 0.00 0.00 46.19 46.97 1thk s LEU 60 CO -0.00 -0.62 0.22 0.21 -1.06 0.00 0.00 176.35 175.10 1thk s ASN 61 N -2.01 5.86 -0.04 1.48 3.84 -0.41 -0.50 114.94 123.16 1thk s ASN 61 Ca -0.05 -0.63 0.20 0.00 0.21 0.00 0.00 52.86 52.58 1thk s ASN 61 Cb -0.01 -2.08 0.63 0.00 -0.55 0.00 0.00 41.25 39.24 1thk s ASN 61 CO -0.03 -0.28 1.54 -0.46 -2.79 0.00 0.00 177.10 175.08 1thk n ASN 62 N 5.06 4.13 0.00 -4.21 0.23 -0.93 -0.45 115.26 119.09 1thk n ASN 62 Ca -0.13 -2.18 0.00 0.00 -0.53 0.00 0.00 54.58 51.75 1thk n ASN 62 Cb 0.48 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 1thk n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1thk n GLY 63 N 1.30 1.90 0.03 4.83 0.00 -1.26 -4.78 105.19 107.20 1thk n GLY 63 Ca 0.24 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 1thk n GLY 63 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1thk n HIS 64 N -2.00 0.00 -3.77 1.61 -0.00 -1.26 -4.74 115.22 105.07 1thk n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1thk n HIS 64 Cb 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 29.99 29.69 1thk n HIS 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1thk n ALA 65 N -2.22 -0.79 -2.60 1.59 0.00 -1.26 -4.87 120.51 110.35 1thk n ALA 65 Ca -0.10 -0.21 -0.33 0.00 0.00 0.00 0.00 53.44 52.80 1thk n ALA 65 Cb 0.69 0.07 -0.14 0.00 0.00 0.00 0.00 19.45 20.08 1thk n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1thk s PHE 66 N -3.60 2.69 -0.01 0.00 -0.12 -1.26 -2.20 117.98 113.48 1thk s PHE 66 Ca 0.07 -0.30 0.08 0.00 -0.05 0.00 0.00 56.93 56.73 1thk s PHE 66 Cb -0.00 -1.66 -0.02 0.00 -0.63 0.00 0.00 43.02 40.70 1thk s PHE 66 CO 0.00 0.08 -0.26 -1.01 -0.05 0.00 0.00 175.22 173.98 1thk s HIS 67 N -0.49 2.33 -0.32 3.49 3.76 0.35 -4.17 115.29 120.24 1thk s HIS 67 Ca 0.06 -0.44 -0.06 0.00 -0.15 0.00 0.00 55.06 54.48 1thk s HIS 67 Cb -0.12 -1.49 0.03 0.00 1.11 0.00 0.00 32.58 32.11 1thk s HIS 67 CO 0.02 -0.02 0.08 0.08 -0.85 0.00 0.00 174.74 174.04 1thk s VAL 68 N -0.63 3.71 0.06 -0.90 1.01 -0.46 -0.87 120.40 122.32 1thk s VAL 68 Ca 0.10 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 1thk s VAL 68 Cb -0.10 -3.03 -0.06 0.00 0.00 0.00 0.00 36.38 33.20 1thk s VAL 68 CO -0.01 -0.06 0.38 -1.61 0.00 0.00 0.00 175.10 173.80 1thk s GLU 69 N 1.41 3.75 0.30 2.72 2.02 0.43 -2.24 118.70 127.09 1thk s GLU 69 Ca -0.01 0.16 0.10 0.00 0.02 0.00 0.00 54.97 55.25 1thk s GLU 69 Cb -0.19 -3.02 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 1thk s GLU 69 CO 0.02 0.58 -0.10 -0.06 0.02 0.00 0.00 175.26 175.72 1thk s PHE 70 N -1.36 2.44 -0.33 1.61 0.40 0.11 -0.00 117.98 120.84 1thk s PHE 70 Ca 0.32 -0.37 -0.29 0.00 -0.60 0.00 0.00 56.93 55.99 1thk s PHE 70 Cb -0.14 -1.21 0.01 0.00 0.51 0.00 0.00 43.02 42.20 1thk s PHE 70 CO 0.17 0.62 1.14 0.34 0.70 0.00 0.00 175.22 178.20 1thk s ASP 71 N -3.60 6.83 -0.29 1.36 -1.08 -0.18 -4.84 116.67 114.87 1thk s ASP 71 Ca 0.32 1.02 0.09 0.00 -0.52 0.00 0.00 52.55 53.46 1thk s ASP 71 Cb -0.03 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.36 1thk s ASP 71 CO 0.17 -0.97 1.39 -0.90 0.52 0.00 0.00 175.17 175.37 1thk n ASP 72 N 7.17 2.76 -0.03 -0.34 5.75 -1.26 -4.62 116.55 125.97 1thk n ASP 72 Ca 0.13 -3.83 0.14 0.00 -0.01 0.00 0.00 54.79 51.22 1thk n ASP 72 Cb 0.47 -0.58 0.52 0.00 -1.03 0.00 0.00 41.12 40.50 1thk n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1thk n SER 73 N -1.07 0.25 -3.94 -1.12 3.41 -1.26 -4.88 113.62 105.01 1thk n SER 73 Ca 0.32 0.01 -0.10 0.00 -0.26 0.00 0.00 58.87 58.85 1thk n SER 73 Cb 0.92 -0.18 -0.06 0.00 -0.26 0.00 0.00 64.21 64.63 1thk n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1thk s GLN 74 N -2.86 1.31 -1.31 4.33 -0.21 -1.26 -5.05 119.66 114.61 1thk s GLN 74 Ca 0.17 -1.16 -0.14 0.00 0.02 0.00 0.00 55.36 54.25 1thk s GLN 74 Cb 0.19 0.42 -0.03 0.00 1.00 0.00 0.00 33.01 34.59 1thk s GLN 74 CO 0.56 -0.51 2.28 -0.25 -2.12 0.00 0.00 175.29 175.25 1thk n ASP 75 N -0.29 4.49 -0.06 5.90 8.00 -1.26 -4.54 116.55 128.79 1thk n ASP 75 Ca -0.06 -2.72 -0.19 0.00 0.71 0.00 0.00 54.79 52.53 1thk n ASP 75 Cb 0.63 -1.49 -0.13 0.00 -0.02 0.00 0.00 41.12 40.11 1thk n ASP 75 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1thk h LYS 76 N 6.25 0.08 -4.37 -1.24 1.57 -1.87 -3.44 116.57 113.55 1thk h LYS 76 Ca 0.59 -0.13 -0.61 0.00 -1.87 0.00 0.00 60.65 58.62 1thk h LYS 76 Cb 0.55 0.05 -0.38 0.00 0.08 0.00 0.00 32.23 32.53 1thk h LYS 76 CO 1.86 1.06 -0.78 0.00 -0.57 0.00 0.00 179.45 181.02 1thk s ALA 77 N -2.34 2.02 0.17 3.86 0.00 -1.26 -3.70 121.76 120.51 1thk s ALA 77 Ca -0.22 -1.43 0.05 0.00 0.00 0.00 0.00 51.96 50.36 1thk s ALA 77 Cb 0.02 -1.47 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 1thk s ALA 77 CO 0.68 -1.23 -0.10 0.14 0.00 0.00 0.00 175.76 175.25 1thk s VAL 78 N 1.37 1.33 -0.09 0.00 -7.23 -0.53 -0.91 120.40 114.35 1thk s VAL 78 Ca -0.05 -2.10 0.04 0.00 -1.81 0.00 0.00 61.98 58.06 1thk s VAL 78 Cb -0.19 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.79 1thk s VAL 78 CO -0.07 -0.66 -0.21 -0.22 -0.31 0.00 0.00 175.10 173.63 1thk s LEU 79 N -3.23 1.99 0.27 1.32 2.96 0.49 -1.33 118.68 121.16 1thk s LEU 79 Ca 0.20 -0.50 0.04 0.00 -0.22 0.00 0.00 54.13 53.65 1thk s LEU 79 Cb 0.02 -1.27 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 1thk s LEU 79 CO 0.03 0.14 0.21 -0.54 -1.32 0.00 0.00 176.35 174.87 1thk s LYS 80 N 0.34 1.51 2.45 1.98 1.02 -0.09 -1.90 119.74 125.06 1thk s LYS 80 Ca -0.16 -1.85 0.00 0.00 0.02 0.00 0.00 55.97 53.98 1thk s LYS 80 Cb -0.17 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.42 1thk s LYS 80 CO 0.07 -0.53 0.00 0.41 -0.92 0.00 0.00 175.35 174.38 1thk n GLY 81 N -0.47 -0.75 7.00 -3.33 0.00 -1.26 -0.54 105.19 105.83 1thk n GLY 81 Ca 0.05 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1thk n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1thk n GLY 82 N 0.00 3.18 0.77 -0.02 0.00 -0.76 -1.32 105.19 107.04 1thk n GLY 82 Ca 0.00 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 45.85 1thk n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1thk n PRO 83 N 13.90 1.98 -3.22 1.61 -0.04 -1.26 -3.54 135.00 144.42 1thk n PRO 83 Ca 0.00 -1.50 -0.34 0.00 -0.04 0.00 0.00 63.50 61.62 1thk n PRO 83 Cb 0.00 -1.38 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 1thk n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1thk s LEU 84 N -1.26 4.22 -0.24 1.53 1.43 -0.44 -5.07 118.68 118.85 1thk s LEU 84 Ca 0.32 1.21 0.02 0.00 -1.03 0.00 0.00 54.13 54.65 1thk s LEU 84 Cb 0.17 -3.69 0.05 0.00 0.03 0.00 0.00 46.19 42.74 1thk s LEU 84 CO 0.24 -0.05 -0.12 -1.81 0.23 0.00 0.00 176.35 174.84 1thk s ASP 85 N -1.99 4.15 0.00 2.29 1.01 -1.26 -4.41 116.67 116.46 1thk s ASP 85 Ca 0.46 -1.16 0.00 0.00 0.71 0.00 0.00 52.55 52.56 1thk s ASP 85 Cb -0.13 -1.56 0.00 0.00 1.01 0.00 0.00 42.92 42.24 1thk s ASP 85 CO 0.19 -0.14 0.00 0.61 0.21 0.00 0.00 175.17 176.04 1thk n GLY 86 N 4.51 0.55 3.79 0.21 0.00 -1.26 -5.00 105.19 108.00 1thk n GLY 86 Ca -0.16 -2.13 -0.36 0.00 0.00 0.00 0.00 46.02 43.37 1thk n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1thk s THR 87 N -1.08 5.42 -0.15 2.61 2.01 -1.26 -4.64 115.64 118.55 1thk s THR 87 Ca 0.00 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.29 1thk s THR 87 Cb 0.00 -3.47 0.01 0.00 0.01 0.00 0.00 72.50 69.04 1thk s THR 87 CO 0.00 0.51 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.94 1thk s TYR 88 N -0.24 2.72 -0.04 4.92 1.51 -0.80 -1.36 117.35 124.06 1thk s TYR 88 Ca 0.13 -1.24 -0.16 0.00 -1.01 0.00 0.00 57.07 54.79 1thk s TYR 88 Cb -0.12 -1.85 -0.05 0.00 -0.11 0.00 0.00 41.96 39.82 1thk s TYR 88 CO 0.02 -0.57 0.44 1.03 -1.11 0.00 0.00 175.55 175.35 1thk s ARG 89 N 0.85 4.09 0.11 -0.62 0.52 -0.19 -0.38 118.95 123.34 1thk s ARG 89 Ca -0.06 0.43 -0.31 0.00 -0.52 0.00 0.00 55.73 55.28 1thk s ARG 89 Cb -0.15 -3.30 -0.07 0.00 0.52 0.00 0.00 34.95 31.94 1thk s ARG 89 CO -0.02 0.50 1.33 -1.17 0.02 0.00 0.00 175.30 175.96 1thk s LEU 90 N -0.48 4.38 -0.08 2.53 2.96 -0.08 -1.10 118.68 126.80 1thk s LEU 90 Ca 0.24 2.26 0.01 0.00 -0.22 0.00 0.00 54.13 56.43 1thk s LEU 90 Cb -0.16 -3.59 -0.06 0.00 0.50 0.00 0.00 46.19 42.88 1thk s LEU 90 CO 0.12 -0.59 -0.06 0.00 -1.32 0.00 0.00 176.35 174.50 1thk n ILE 91 N 3.76 0.46 -3.62 6.68 3.06 -0.14 -4.58 119.36 124.99 1thk n ILE 91 Ca 0.10 -0.19 -0.08 0.00 -2.50 0.00 0.00 62.75 60.09 1thk n ILE 91 Cb 0.43 -0.79 -0.02 0.00 0.54 0.00 0.00 39.64 39.80 1thk n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1thk s GLN 92 N -2.16 1.19 0.02 9.51 1.03 -1.22 -0.71 119.66 127.33 1thk s GLN 92 Ca -0.10 -0.56 -0.01 0.00 0.04 0.00 0.00 55.36 54.74 1thk s GLN 92 Cb 0.03 0.47 -0.02 0.00 0.03 0.00 0.00 33.01 33.52 1thk s GLN 92 CO 0.19 -0.54 -0.01 -0.59 -2.54 0.00 0.00 175.29 171.80 1thk s PHE 93 N -3.44 0.27 0.31 9.60 -0.12 -0.95 -0.86 117.98 122.79 1thk s PHE 93 Ca 0.07 -0.55 -0.12 0.00 -0.05 0.00 0.00 56.93 56.28 1thk s PHE 93 Cb -0.02 -0.20 0.02 0.00 -0.63 0.00 0.00 43.02 42.19 1thk s PHE 93 CO -0.04 -0.22 0.59 -3.38 -0.05 0.00 0.00 175.22 172.12 1thk s HIS 94 N -1.70 0.39 0.36 3.49 -3.43 -0.73 -1.36 115.29 112.31 1thk s HIS 94 Ca -0.14 -0.81 0.04 0.00 -0.80 0.00 0.00 55.06 53.35 1thk s HIS 94 Cb -0.08 0.36 -0.05 0.00 -1.43 0.00 0.00 32.58 31.38 1thk s HIS 94 CO -0.02 -1.20 0.07 -0.06 -2.00 0.00 0.00 174.74 171.53 1thk s PHE 95 N -3.37 1.92 -0.04 0.38 0.40 -1.26 -0.85 117.98 115.17 1thk s PHE 95 Ca 0.21 -1.04 -0.02 0.00 -0.60 0.00 0.00 56.93 55.48 1thk s PHE 95 Cb -0.03 -1.28 0.03 0.00 0.51 0.00 0.00 43.02 42.25 1thk s PHE 95 CO 0.12 -0.05 0.04 -1.01 0.70 0.00 0.00 175.22 175.02 1thk s HIS 96 N -3.23 0.18 0.31 0.36 3.76 -0.63 -4.73 115.29 111.30 1thk s HIS 96 Ca 0.31 0.16 0.03 0.00 -0.15 0.00 0.00 55.06 55.42 1thk s HIS 96 Cb 0.07 -0.52 -0.04 0.00 1.11 0.00 0.00 32.58 33.20 1thk s HIS 96 CO 0.14 -0.20 0.17 1.67 -0.85 0.00 0.00 174.74 175.67 1thk s TRP 97 N 2.00 1.62 0.50 1.40 -2.14 -1.24 -1.40 118.94 119.68 1thk s TRP 97 Ca 0.03 -1.39 0.03 0.00 2.66 0.00 0.00 56.10 57.43 1thk s TRP 97 Cb -0.12 -0.86 0.03 0.00 -3.10 0.00 0.00 33.47 29.41 1thk s TRP 97 CO -0.03 -0.53 0.24 0.41 -2.66 0.00 0.00 176.95 174.37 1thk n GLY 98 N -0.60 3.08 0.05 3.67 0.00 -1.19 -1.23 105.19 108.96 1thk n GLY 98 Ca 0.01 -2.32 0.12 0.00 0.00 0.00 0.00 46.02 43.84 1thk n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1thk n SER 99 N -1.63 0.58 -4.04 1.61 3.41 -1.26 -4.35 113.62 107.94 1thk n SER 99 Ca -0.09 0.16 -0.08 0.00 -0.26 0.00 0.00 58.87 58.61 1thk n SER 99 Cb 0.60 -0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 1thk n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1thk s LEU 100 N -3.83 2.31 0.52 1.04 1.43 -1.26 -5.05 118.68 113.84 1thk s LEU 100 Ca 0.09 -0.87 0.35 0.00 -1.03 0.00 0.00 54.13 52.67 1thk s LEU 100 Cb 0.15 0.29 1.67 0.00 0.03 0.00 0.00 46.19 48.33 1thk s LEU 100 CO 0.67 -0.57 2.04 0.44 0.23 0.00 0.00 176.35 179.16 1thk h ASP 101 N 3.35 0.00 0.00 2.29 3.32 -1.92 -2.89 116.42 120.57 1thk h ASP 101 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1thk h ASP 101 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1thk h ASP 101 CO 0.61 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.74 1thk n GLY 102 N -0.54 -0.96 3.52 2.75 0.00 -1.26 -3.49 105.19 105.20 1thk n GLY 102 Ca -0.01 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1thk n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1thk s GLN 103 N -2.00 1.40 0.00 1.61 -2.07 -1.09 -4.69 119.66 112.82 1thk s GLN 103 Ca 0.46 -1.04 0.00 0.00 -1.82 0.00 0.00 55.36 52.96 1thk s GLN 103 Cb 0.21 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.61 1thk s GLN 103 CO 0.35 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 174.16 1thk n GLY 104 N -0.33 2.65 3.83 2.60 0.00 -1.05 -3.19 105.19 109.69 1thk n GLY 104 Ca -0.07 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 1thk n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1thk s SER 105 N 0.00 5.82 -0.20 1.61 1.04 -0.67 -3.62 113.70 117.68 1thk s SER 105 Ca 0.00 1.64 -0.17 0.00 0.48 0.00 0.00 55.95 57.90 1thk s SER 105 Cb 0.00 -2.50 -0.13 0.00 0.10 0.00 0.00 66.02 63.48 1thk s SER 105 CO 0.00 -1.14 -0.01 -0.62 0.98 0.00 0.00 173.24 172.44 1thk n GLU 106 N -2.51 0.54 -2.25 4.02 1.02 -1.26 -4.83 120.64 115.37 1thk n GLU 106 Ca 0.08 0.49 -0.32 0.00 -0.02 0.00 0.00 57.16 57.39 1thk n GLU 106 Cb 0.53 -1.67 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 1thk n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1thk s HIS 107 N -2.39 3.37 0.11 -0.32 3.76 -1.26 -4.40 115.29 114.16 1thk s HIS 107 Ca -0.27 1.46 0.05 0.00 -0.15 0.00 0.00 55.06 56.14 1thk s HIS 107 Cb 0.06 -2.83 -0.04 0.00 1.11 0.00 0.00 32.58 30.89 1thk s HIS 107 CO 0.47 -0.57 -0.12 0.95 -0.85 0.00 0.00 174.74 174.62 1thk s THR 108 N -2.66 1.13 -0.23 1.30 -4.23 -1.20 -4.72 115.64 105.03 1thk s THR 108 Ca 0.59 -1.71 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 1thk s THR 108 Cb -0.11 -1.48 0.04 0.00 1.34 0.00 0.00 72.50 72.29 1thk s THR 108 CO 0.35 -0.51 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.10 1thk s VAL 109 N -2.39 2.24 -1.48 2.29 1.01 -0.88 -0.10 120.40 121.09 1thk s VAL 109 Ca 0.08 -1.34 -0.09 0.00 0.00 0.00 0.00 61.98 60.63 1thk s VAL 109 Cb -0.03 -2.18 0.06 0.00 0.00 0.00 0.00 36.38 34.23 1thk s VAL 109 CO 0.01 0.17 0.80 0.47 0.00 0.00 0.00 175.10 176.56 1thk n ASP 110 N 4.52 -3.00 0.00 3.32 8.00 0.40 -0.48 116.55 129.31 1thk n ASP 110 Ca -0.16 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1thk n ASP 110 Cb 0.45 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.91 1thk n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1thk n LYS 111 N -4.50 0.00 -2.65 -1.24 4.76 -1.26 -4.99 118.16 108.28 1thk n LYS 111 Ca -0.09 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.93 1thk n LYS 111 Cb 0.58 -3.17 -0.03 0.00 -1.84 0.00 0.00 35.03 30.57 1thk n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1thk s LYS 112 N -0.34 4.55 -0.05 1.97 2.20 0.37 -5.02 119.74 123.42 1thk s LYS 112 Ca 0.00 1.51 -0.04 0.00 -0.36 0.00 0.00 55.97 57.08 1thk s LYS 112 Cb 0.00 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 1thk s LYS 112 CO 0.00 -0.06 0.14 0.15 -0.36 0.00 0.00 175.35 175.22 1thk s LYS 113 N 0.86 3.35 0.39 4.03 1.02 -1.26 -2.06 119.74 126.06 1thk s LYS 113 Ca 0.53 -0.28 0.08 0.00 0.02 0.00 0.00 55.97 56.31 1thk s LYS 113 Cb -0.23 -3.07 -0.01 0.00 -0.52 0.00 0.00 37.83 33.99 1thk s LYS 113 CO 0.29 0.71 0.42 0.71 -0.92 0.00 0.00 175.35 176.56 1thk s TYR 114 N -1.16 2.84 0.34 3.18 2.02 -1.26 -4.73 117.35 118.58 1thk s TYR 114 Ca 0.21 -0.39 0.19 0.00 -0.37 0.00 0.00 57.07 56.72 1thk s TYR 114 Cb -0.12 -2.11 0.99 0.00 -0.40 0.00 0.00 41.96 40.32 1thk s TYR 114 CO 0.11 -0.11 1.91 0.00 -1.57 0.00 0.00 175.55 175.89 1thk h ALA 115 N 0.97 1.29 -2.48 3.71 0.00 -1.45 -1.72 119.26 119.58 1thk h ALA 115 Ca -0.42 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 54.39 1thk h ALA 115 Cb 1.27 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1thk h ALA 115 CO 0.54 0.33 0.43 0.00 0.00 0.00 0.00 179.25 180.55 1thk s ALA 116 N -4.10 -1.58 -0.04 0.00 0.00 -1.17 -3.21 121.76 111.66 1thk s ALA 116 Ca -0.02 0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.02 1thk s ALA 116 Cb 0.13 0.67 0.03 0.00 0.00 0.00 0.00 23.12 23.96 1thk s ALA 116 CO 0.66 -1.02 0.09 -2.00 0.00 0.00 0.00 175.76 173.50 1thk s GLU 117 N -3.41 0.03 -0.16 0.00 2.12 -0.49 -1.29 118.70 115.49 1thk s GLU 117 Ca 0.11 0.27 -0.10 0.00 0.36 0.00 0.00 54.97 55.61 1thk s GLU 117 Cb -0.02 -0.19 -0.05 0.00 0.26 0.00 0.00 34.13 34.13 1thk s GLU 117 CO 0.02 -0.15 0.17 -1.17 -0.54 0.00 0.00 175.26 173.59 1thk s LEU 118 N 1.02 4.27 -0.20 2.70 2.96 0.84 -1.61 118.68 128.67 1thk s LEU 118 Ca -0.08 0.37 0.01 0.00 -0.22 0.00 0.00 54.13 54.21 1thk s LEU 118 Cb -0.11 -2.16 0.03 0.00 0.50 0.00 0.00 46.19 44.45 1thk s LEU 118 CO -0.04 0.23 -0.18 -1.00 -1.32 0.00 0.00 176.35 174.04 1thk s HIS 119 N -0.04 2.89 -0.37 5.38 3.76 -0.03 -1.03 115.29 125.85 1thk s HIS 119 Ca 0.12 -1.77 -0.11 0.00 -0.15 0.00 0.00 55.06 53.14 1thk s HIS 119 Cb -0.12 -1.93 0.02 0.00 1.11 0.00 0.00 32.58 31.66 1thk s HIS 119 CO 0.01 -0.82 0.21 -0.51 -0.85 0.00 0.00 174.74 172.79 1thk s LEU 120 N 1.26 4.67 -0.18 0.89 1.43 -0.50 -1.78 118.68 124.48 1thk s LEU 120 Ca 0.02 -0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 52.07 1thk s LEU 120 Cb -0.14 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1thk s LEU 120 CO -0.11 -0.36 0.40 -0.69 0.23 0.00 0.00 176.35 175.82 1thk s VAL 121 N 1.58 5.21 0.09 -1.59 1.01 -0.04 -1.33 120.40 125.34 1thk s VAL 121 Ca 0.03 0.74 0.07 0.00 0.00 0.00 0.00 61.98 62.82 1thk s VAL 121 Cb -0.19 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 1thk s VAL 121 CO 0.07 0.28 -0.19 -1.00 0.00 0.00 0.00 175.10 174.27 1thk s HIS 122 N 1.05 1.59 0.07 5.22 3.76 -0.79 -0.96 115.29 125.23 1thk s HIS 122 Ca 0.20 -0.43 0.09 0.00 -0.15 0.00 0.00 55.06 54.77 1thk s HIS 122 Cb -0.15 -0.88 -0.03 0.00 1.11 0.00 0.00 32.58 32.63 1thk s HIS 122 CO 0.08 0.15 -0.25 1.67 -0.85 0.00 0.00 174.74 175.54 1thk s TRP 123 N -1.18 2.16 -0.22 1.40 1.48 -0.26 -1.25 118.94 121.07 1thk s TRP 123 Ca 0.04 -0.40 -0.29 0.00 -1.06 0.00 0.00 56.10 54.39 1thk s TRP 123 Cb -0.10 -1.26 -0.04 0.00 -1.16 0.00 0.00 33.47 30.91 1thk s TRP 123 CO 0.03 0.16 1.82 1.21 -4.06 0.00 0.00 176.95 176.12 1thk s ASN 124 N -1.43 6.08 0.63 -2.66 3.84 0.51 -1.02 114.94 120.89 1thk s ASN 124 Ca 0.11 1.72 0.33 0.00 0.21 0.00 0.00 52.86 55.22 1thk s ASN 124 Cb -0.10 -2.53 1.82 0.00 -0.55 0.00 0.00 41.25 39.89 1thk s ASN 124 CO 0.03 -1.48 2.11 0.71 -2.79 0.00 0.00 177.10 175.67 1thk h THR 125 N 6.45 0.25 -0.11 -5.21 1.35 -1.56 -1.56 112.91 112.52 1thk h THR 125 Ca -0.37 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.52 1thk h THR 125 Cb 1.18 0.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1thk h THR 125 CO 0.99 0.00 0.13 0.50 -0.25 0.00 0.00 175.52 176.89 1thk h LYS 127 N 0.00 0.00 -0.31 4.72 3.64 -1.90 -2.21 116.57 120.51 1thk h LYS 127 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1thk h LYS 127 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1thk h LYS 127 CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 1thk n TYR 128 N -3.79 0.40 0.00 1.91 4.01 -0.59 -4.98 117.16 114.13 1thk n TYR 128 Ca -0.00 -0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1thk n TYR 128 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1thk n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1thk n GLY 129 N 1.24 1.18 3.41 2.72 0.00 -0.83 -4.55 105.19 108.35 1thk n GLY 129 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1thk n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1thk s ASP 130 N 0.00 -0.17 0.19 1.61 1.47 -1.26 -5.06 116.67 113.46 1thk s ASP 130 Ca 0.00 -0.54 -0.12 0.00 1.18 0.00 0.00 52.55 53.07 1thk s ASP 130 Cb 0.00 0.51 0.20 0.00 -0.34 0.00 0.00 42.92 43.28 1thk s ASP 130 CO 0.00 -0.95 1.74 0.15 0.68 0.00 0.00 175.17 176.79 1thk h PHE 131 N 2.35 0.30 -0.89 2.11 3.57 -1.94 -1.74 116.94 120.70 1thk h PHE 131 Ca -0.31 0.03 0.13 0.00 3.53 0.00 0.00 57.97 61.35 1thk h PHE 131 Cb 1.25 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 39.86 1thk h PHE 131 CO 0.36 0.08 0.57 0.78 -2.23 0.00 0.00 178.31 177.87 1thk h GLY 132 N 0.34 1.22 1.29 2.40 0.00 -1.97 -1.71 103.07 104.64 1thk h GLY 132 Ca 0.25 -0.32 -0.31 0.00 0.00 0.00 0.00 47.33 46.96 1thk h GLY 132 CO -0.27 0.12 -1.32 0.50 0.00 0.00 0.00 176.54 175.57 1thk h LYS 133 N 0.74 0.57 -0.90 4.80 1.79 -1.72 -3.34 116.57 118.50 1thk h LYS 133 Ca 0.44 -0.83 0.08 0.00 -2.18 0.00 0.00 60.65 58.15 1thk h LYS 133 Cb 0.63 0.29 -0.07 0.00 -1.58 0.00 0.00 32.23 31.50 1thk h LYS 133 CO -0.20 1.38 0.56 0.00 -1.08 0.00 0.00 179.45 180.12 1thk h ALA 134 N 0.28 1.27 0.00 3.86 0.00 -0.48 -2.05 119.26 122.14 1thk h ALA 134 Ca -0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1thk h ALA 134 Cb 2.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1thk h ALA 134 CO 0.25 0.28 0.00 -0.39 0.00 0.00 0.00 179.25 179.39 1thk h VAL 135 N 0.99 0.00 -0.30 0.00 -1.51 -1.48 -1.63 116.25 112.33 1thk h VAL 135 Ca 0.41 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.77 1thk h VAL 135 Cb 0.24 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 1thk h VAL 135 CO -0.20 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.14 1thk n GLN 136 N -2.29 1.98 -4.59 5.19 6.02 -0.77 -4.63 117.38 118.29 1thk n GLN 136 Ca 0.00 -1.49 -0.30 0.00 -0.01 0.00 0.00 57.00 55.20 1thk n GLN 136 Cb 0.12 -1.40 -0.12 0.00 1.02 0.00 0.00 30.24 29.85 1thk n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1thk s GLN 137 N -1.61 1.97 0.55 -1.09 -1.52 -0.61 -5.03 119.66 112.32 1thk s GLN 137 Ca 0.33 -1.04 0.27 0.00 -1.95 0.00 0.00 55.36 52.96 1thk s GLN 137 Cb 0.18 -2.15 1.59 0.00 -0.22 0.00 0.00 33.01 32.41 1thk s GLN 137 CO 0.25 0.52 2.17 -1.00 -0.25 0.00 0.00 175.29 176.98 1thk h PRO 138 N 4.35 0.00 -0.09 2.91 0.13 -1.86 -2.26 132.00 135.18 1thk h PRO 138 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 1thk h PRO 138 Cb 1.16 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 1thk h PRO 138 CO 0.47 0.06 -0.51 -0.40 -0.23 0.00 0.00 178.00 177.38 1thk n ASP 139 N -3.87 2.06 -0.04 1.44 5.75 -1.26 -4.31 116.55 116.32 1thk n ASP 139 Ca -0.03 -3.89 -0.16 0.00 -0.01 0.00 0.00 54.79 50.71 1thk n ASP 139 Cb 0.15 -0.52 -0.05 0.00 -1.03 0.00 0.00 41.12 39.67 1thk n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1thk h GLY 140 N 1.12 0.88 -2.85 6.12 0.00 -1.31 -3.43 103.07 103.59 1thk h GLY 140 Ca 0.05 -1.16 -0.60 0.00 0.00 0.00 0.00 47.33 45.62 1thk h GLY 140 CO 0.09 1.03 -0.79 1.08 0.00 0.00 0.00 176.54 177.95 1thk s LEU 141 N -8.50 2.49 -0.19 3.11 1.43 0.15 -0.36 118.68 116.82 1thk s LEU 141 Ca -0.10 -0.93 -0.02 0.00 -1.03 0.00 0.00 54.13 52.05 1thk s LEU 141 Cb 0.09 -1.06 0.06 0.00 0.03 0.00 0.00 46.19 45.31 1thk s LEU 141 CO 0.90 0.05 0.01 0.00 0.23 0.00 0.00 176.35 177.53 1thk s ALA 142 N -2.09 1.22 -0.18 4.21 0.00 -0.38 -1.20 121.76 123.35 1thk s ALA 142 Ca 0.23 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 1thk s ALA 142 Cb -0.06 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 1thk s ALA 142 CO 0.11 -1.08 -0.01 0.08 0.00 0.00 0.00 175.76 174.86 1thk s VAL 143 N 1.75 4.00 -0.29 0.00 1.01 -1.13 -1.89 120.40 123.85 1thk s VAL 143 Ca -0.01 -0.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 1thk s VAL 143 Cb -0.17 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1thk s VAL 143 CO -0.07 0.46 0.49 -0.22 0.00 0.00 0.00 175.10 175.75 1thk s LEU 144 N 0.70 4.14 -0.17 3.92 2.96 -0.44 -1.60 118.68 128.19 1thk s LEU 144 Ca -0.00 0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 54.16 1thk s LEU 144 Cb -0.14 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 1thk s LEU 144 CO 0.02 -0.33 0.04 -0.83 -1.32 0.00 0.00 176.35 173.94 1thk s GLY 145 N 1.63 1.88 -0.08 7.98 0.00 0.78 -1.41 107.32 118.10 1thk s GLY 145 Ca 0.19 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.17 1thk s GLY 145 CO 0.11 -0.03 -0.10 -0.42 0.00 0.00 0.00 173.10 172.65 1thk s ILE 146 N 0.21 1.06 0.34 0.90 1.01 -0.20 -1.16 121.20 123.37 1thk s ILE 146 Ca 0.03 -0.40 -0.22 0.00 0.00 0.00 0.00 60.65 60.06 1thk s ILE 146 Cb -0.13 -1.01 -0.10 0.00 0.01 0.00 0.00 42.46 41.24 1thk s ILE 146 CO 0.01 0.35 0.89 -0.36 0.00 0.00 0.00 174.94 175.83 1thk s PHE 147 N 1.00 3.52 -0.10 3.97 0.08 -1.26 -0.11 117.98 125.08 1thk s PHE 147 Ca -0.08 1.60 0.04 0.00 0.12 0.00 0.00 56.93 58.61 1thk s PHE 147 Cb -0.15 -2.81 -0.00 0.00 -0.57 0.00 0.00 43.02 39.49 1thk s PHE 147 CO -0.00 0.11 -0.23 -0.51 -0.10 0.00 0.00 175.22 174.48 1thk s LEU 148 N -2.52 2.13 0.20 -0.37 1.02 -0.41 -1.02 118.68 117.69 1thk s LEU 148 Ca 0.53 -0.54 0.11 0.00 0.02 0.00 0.00 54.13 54.26 1thk s LEU 148 Cb -0.14 -1.42 -0.04 0.00 0.02 0.00 0.00 46.19 44.60 1thk s LEU 148 CO 0.19 0.17 -0.24 -1.59 0.02 0.00 0.00 176.35 174.90 1thk s LYS 149 N 0.31 1.52 -0.09 1.70 -2.85 -0.62 -2.06 119.74 117.65 1thk s LYS 149 Ca -0.17 -1.53 -0.23 0.00 -1.00 0.00 0.00 55.97 53.03 1thk s LYS 149 Cb -0.18 -1.84 -0.03 0.00 -2.06 0.00 0.00 37.83 33.72 1thk s LYS 149 CO 0.08 0.40 0.69 0.08 0.10 0.00 0.00 175.35 176.70 1thk s VAL 150 N -1.69 5.04 0.00 1.79 1.01 -1.26 -1.39 120.40 123.90 1thk s VAL 150 Ca 0.21 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.58 1thk s VAL 150 Cb -0.08 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.28 1thk s VAL 150 CO 0.10 0.22 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1thk n GLY 151 N 3.23 -0.20 3.82 4.51 0.00 0.52 -4.89 105.19 112.18 1thk n GLY 151 Ca -0.01 0.57 -0.33 0.00 0.00 0.00 0.00 46.02 46.25 1thk n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1thk s SER 152 N 2.00 6.55 0.53 1.61 0.01 -1.26 -4.08 113.70 119.06 1thk s SER 152 Ca 0.00 1.70 -0.20 0.00 1.31 0.00 0.00 55.95 58.76 1thk s SER 152 Cb 0.00 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.64 1thk s SER 152 CO 0.00 -0.64 1.12 0.00 0.41 0.00 0.00 173.24 174.14 1thk s ALA 153 N -2.36 2.73 -0.42 1.44 0.00 -1.26 -2.17 121.76 119.70 1thk s ALA 153 Ca 0.62 0.81 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 1thk s ALA 153 Cb -0.12 -3.35 0.07 0.00 0.00 0.00 0.00 23.12 19.72 1thk s ALA 153 CO 0.25 -0.72 0.28 0.21 0.00 0.00 0.00 175.76 175.78 1thk s LYS 154 N -3.25 2.74 0.23 0.00 2.47 -1.24 -4.80 119.74 115.89 1thk s LYS 154 Ca 0.72 -1.36 -0.09 0.00 -1.56 0.00 0.00 55.97 53.68 1thk s LYS 154 Cb -0.23 -3.86 0.35 0.00 -1.46 0.00 0.00 37.83 32.62 1thk s LYS 154 CO 0.27 -0.92 1.65 -1.35 0.16 0.00 0.00 175.35 175.16 1thk h PRO 155 N 8.50 0.11 0.00 4.03 0.11 -1.92 -1.39 132.00 141.44 1thk h PRO 155 Ca -0.25 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1thk h PRO 155 Cb 1.09 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1thk h PRO 155 CO 0.77 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 179.04 1thk n GLY 156 N -1.39 -0.76 0.07 -0.55 0.00 -1.26 -2.28 105.19 99.02 1thk n GLY 156 Ca 0.11 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1thk n GLY 156 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1thk n LEU 157 N -1.59 0.52 -0.32 0.99 7.94 -0.53 -4.46 117.00 119.56 1thk n LEU 157 Ca 0.01 0.20 0.07 0.00 -1.11 0.00 0.00 56.01 55.19 1thk n LEU 157 Cb 0.08 -0.04 0.23 0.00 0.53 0.00 0.00 43.42 44.23 1thk n LEU 157 CO 0.07 -0.12 1.16 -0.61 -1.11 0.00 0.00 177.39 176.78 1thk h GLN 158 N 0.00 0.75 -0.52 1.96 5.75 -1.48 -0.43 115.11 121.14 1thk h GLN 158 Ca 0.00 -0.05 0.06 0.00 -0.15 0.00 0.00 58.65 58.52 1thk h GLN 158 Cb 1.00 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 29.35 1thk h GLN 158 CO 0.00 0.50 0.35 0.87 -2.65 0.00 0.00 178.83 177.89 1thk h LYS 159 N 0.77 0.44 -0.07 1.69 1.57 -1.78 -1.07 116.57 118.11 1thk h LYS 159 Ca 0.48 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 59.15 1thk h LYS 159 Cb 0.60 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1thk h LYS 159 CO -0.32 0.29 -0.29 0.28 -0.57 0.00 0.00 179.45 178.84 1thk h VAL 160 N 0.45 1.43 -0.40 0.50 2.07 -1.38 -3.28 116.25 115.63 1thk h VAL 160 Ca 0.23 -1.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.01 1thk h VAL 160 Cb 0.32 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 1thk h VAL 160 CO -0.06 0.48 0.04 -0.37 0.02 0.00 0.00 177.57 177.68 1thk h VAL 161 N -0.18 1.21 0.00 2.57 -1.51 -0.88 -2.93 116.25 114.52 1thk h VAL 161 Ca -0.02 -0.80 -0.01 0.00 -1.23 0.00 0.00 66.70 64.65 1thk h VAL 161 Cb 0.93 0.86 -0.00 0.00 -2.13 0.00 0.00 31.29 30.95 1thk h VAL 161 CO 0.06 0.28 -0.03 0.44 -1.23 0.00 0.00 177.57 177.09 1thk h ASP 162 N 0.60 0.00 0.13 4.19 3.32 -1.28 -2.97 116.42 120.41 1thk h ASP 162 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1thk h ASP 162 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1thk h ASP 162 CO 0.01 0.03 -0.55 1.33 -1.72 0.00 0.00 179.24 178.34 1thk n VAL 163 N -3.17 0.00 0.10 -1.35 0.24 -1.11 -4.37 118.33 108.67 1thk n VAL 163 Ca -0.00 -0.12 0.13 0.00 -2.04 0.00 0.00 64.34 62.30 1thk n VAL 163 Cb 0.27 0.82 0.62 0.00 -1.47 0.00 0.00 33.84 34.08 1thk n VAL 163 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1thk h LEU 164 N 1.17 0.09 -2.06 1.34 3.38 -1.53 -1.16 115.31 116.53 1thk h LEU 164 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1thk h LEU 164 Cb 0.59 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1thk h LEU 164 CO 0.00 0.06 -0.07 0.44 0.09 0.00 0.00 178.44 178.96 1thk h ASP 165 N 0.11 0.00 0.81 -0.43 3.32 -1.80 -2.05 116.42 116.38 1thk h ASP 165 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1thk h ASP 165 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1thk h ASP 165 CO -0.02 0.07 -0.15 -1.54 -1.72 0.00 0.00 179.24 175.88 1thk n SER 166 N -4.03 0.17 -2.50 6.45 3.41 -0.44 -3.82 113.62 112.86 1thk n SER 166 Ca -0.03 0.21 -0.11 0.00 -0.26 0.00 0.00 58.87 58.68 1thk n SER 166 Cb 0.16 -0.25 0.03 0.00 -0.26 0.00 0.00 64.21 63.89 1thk n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1thk n ILE 167 N -1.47 1.77 -0.36 -1.33 -5.35 -0.79 -4.72 119.36 107.11 1thk n ILE 167 Ca 0.07 -3.54 0.00 0.00 -0.27 0.00 0.00 62.75 59.01 1thk n ILE 167 Cb 0.33 0.19 0.14 0.00 -1.74 0.00 0.00 39.64 38.56 1thk n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1thk h LYS 168 N 2.49 1.18 -6.20 6.28 3.64 -1.61 -3.42 116.57 118.92 1thk h LYS 168 Ca 0.08 -0.07 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 1thk h LYS 168 Cb 1.34 -0.27 -0.06 0.00 -0.41 0.00 0.00 32.23 32.83 1thk h LYS 168 CO 0.46 0.78 -0.55 0.95 -2.27 0.00 0.00 179.45 178.82 1thk s THR 169 N -6.08 4.35 0.19 1.00 -4.23 -1.26 -0.80 115.64 108.81 1thk s THR 169 Ca -0.13 -1.34 -0.33 0.00 -1.18 0.00 0.00 61.69 58.71 1thk s THR 169 Cb 0.19 -3.30 -0.14 0.00 1.34 0.00 0.00 72.50 70.59 1thk s THR 169 CO 0.81 -0.26 1.51 1.17 -0.54 0.00 0.00 174.62 177.30 1thk n LYS 170 N -0.85 2.08 0.00 3.99 4.81 -0.58 -2.17 118.16 125.45 1thk n LYS 170 Ca -0.08 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 1thk n LYS 170 Cb 0.57 -2.47 0.00 0.00 0.02 0.00 0.00 35.03 33.15 1thk n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1thk n GLY 171 N 2.91 3.14 3.77 3.14 0.00 0.41 -4.48 105.19 114.08 1thk n GLY 171 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1thk n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1thk s LYS 172 N -0.43 4.24 0.07 1.61 -0.14 -0.92 -4.85 119.74 119.32 1thk s LYS 172 Ca 0.00 1.87 -0.05 0.00 -1.36 0.00 0.00 55.97 56.43 1thk s LYS 172 Cb 0.00 -2.85 -0.02 0.00 -1.68 0.00 0.00 37.83 33.28 1thk s LYS 172 CO 0.00 -0.17 0.08 -1.54 -0.76 0.00 0.00 175.35 172.96 1thk s SER 173 N -1.00 0.30 0.01 2.83 1.04 -1.26 -1.29 113.70 114.33 1thk s SER 173 Ca 0.53 -0.81 -0.19 0.00 0.48 0.00 0.00 55.95 55.96 1thk s SER 173 Cb -0.32 0.27 0.04 0.00 0.10 0.00 0.00 66.02 66.10 1thk s SER 173 CO 0.41 -0.66 0.41 0.00 0.98 0.00 0.00 173.24 174.38 1thk s ALA 174 N -3.82 -1.02 0.30 5.32 0.00 -0.20 -4.95 121.76 117.38 1thk s ALA 174 Ca 0.05 0.46 -0.29 0.00 0.00 0.00 0.00 51.96 52.18 1thk s ALA 174 Cb 0.06 0.18 -0.11 0.00 0.00 0.00 0.00 23.12 23.25 1thk s ALA 174 CO -0.10 -0.36 1.53 -0.51 0.00 0.00 0.00 175.76 176.31 1thk s ASP 175 N -1.61 6.44 -0.43 0.00 1.01 -1.26 -1.35 116.67 119.47 1thk s ASP 175 Ca -0.09 2.90 0.04 0.00 0.71 0.00 0.00 52.55 56.11 1thk s ASP 175 Cb -0.02 -2.64 0.17 0.00 1.01 0.00 0.00 42.92 41.44 1thk s ASP 175 CO 0.02 -0.84 0.43 0.12 0.21 0.00 0.00 175.17 175.10 1thk s PHE 176 N -0.31 0.37 0.26 4.23 5.36 -0.58 -4.75 117.98 122.55 1thk s PHE 176 Ca 0.59 -1.82 0.06 0.00 -0.96 0.00 0.00 56.93 54.81 1thk s PHE 176 Cb -0.46 -0.60 -0.03 0.00 -0.34 0.00 0.00 43.02 41.59 1thk s PHE 176 CO 0.51 -0.94 0.31 0.95 -1.46 0.00 0.00 175.22 174.58 1thk s THR 177 N 0.36 4.81 -1.54 0.12 -4.23 -1.26 -3.10 115.64 110.79 1thk s THR 177 Ca 0.31 -1.15 -0.05 0.00 -1.18 0.00 0.00 61.69 59.62 1thk s THR 177 Cb 0.01 -3.64 0.01 0.00 1.34 0.00 0.00 72.50 70.22 1thk s THR 177 CO -0.15 -0.32 0.63 0.59 -0.54 0.00 0.00 174.62 174.84 1thk n ASN 178 N -1.35 -6.05 -4.71 3.99 4.13 -1.26 -4.97 115.26 105.04 1thk n ASN 178 Ca -0.08 -0.31 -0.37 0.00 1.68 0.00 0.00 54.58 55.51 1thk n ASN 178 Cb 0.58 -4.88 -0.07 0.00 -1.54 0.00 0.00 39.78 33.86 1thk n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1thk s PHE 179 N -3.18 3.44 -0.43 3.10 5.36 -1.26 -5.02 117.98 119.98 1thk s PHE 179 Ca 0.32 0.64 -0.16 0.00 -0.96 0.00 0.00 56.93 56.77 1thk s PHE 179 Cb -0.15 -2.43 0.03 0.00 -0.34 0.00 0.00 43.02 40.13 1thk s PHE 179 CO 0.40 0.14 0.39 0.34 -1.46 0.00 0.00 175.22 175.04 1thk s ASP 180 N 0.70 6.16 0.13 6.13 -1.08 -1.26 -4.50 116.67 122.95 1thk s ASP 180 Ca 0.19 -0.84 0.15 0.00 -0.52 0.00 0.00 52.55 51.53 1thk s ASP 180 Cb -0.14 -2.20 0.69 0.00 -1.46 0.00 0.00 42.92 39.81 1thk s ASP 180 CO 0.06 -0.56 1.48 -0.81 0.52 0.00 0.00 175.17 175.86 1thk n PRO 181 N 5.43 0.08 0.26 4.34 -0.04 -1.26 -2.52 135.00 141.29 1thk n PRO 181 Ca -0.09 0.42 0.17 0.00 -0.04 0.00 0.00 63.50 63.96 1thk n PRO 181 Cb 0.47 -1.69 0.83 0.00 -0.04 0.00 0.00 33.50 33.07 1thk n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1thk h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.78 114.38 114.30 1thk h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1thk h ARG 182 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1thk h ARG 182 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1thk n GLY 183 N -0.56 -0.99 0.64 0.04 0.00 -1.05 -3.14 105.19 100.13 1thk n GLY 183 Ca -0.01 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.92 1thk n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1thk n LEU 184 N -1.06 2.35 -4.83 0.99 4.77 -0.67 -4.34 117.00 114.22 1thk n LEU 184 Ca 0.20 -1.05 -0.37 0.00 -0.03 0.00 0.00 56.01 54.76 1thk n LEU 184 Cb 0.13 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 1thk n LEU 184 CO 0.18 0.43 0.24 -0.76 -1.33 0.00 0.00 177.39 176.15 1thk s LEU 185 N -1.28 4.44 0.98 2.23 1.43 -1.19 -4.94 118.68 120.35 1thk s LEU 185 Ca 0.19 1.15 -0.15 0.00 -1.03 0.00 0.00 54.13 54.29 1thk s LEU 185 Cb 0.13 -3.04 0.19 0.00 0.03 0.00 0.00 46.19 43.50 1thk s LEU 185 CO 0.20 0.20 1.20 -2.16 0.23 0.00 0.00 176.35 176.02 1thk s PRO 186 N -1.49 0.52 0.06 1.29 0.04 -1.26 -4.98 135.00 129.18 1thk s PRO 186 Ca 0.32 -0.07 -0.21 0.00 0.04 0.00 0.00 61.00 61.09 1thk s PRO 186 Cb -0.17 -1.80 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 1thk s PRO 186 CO 0.18 -2.55 1.49 1.49 0.04 0.00 0.00 177.00 177.66 1thk h GLU 187 N -1.74 0.28 -6.21 4.56 4.81 -1.92 -3.44 114.58 110.92 1thk h GLU 187 Ca -0.47 -0.09 -0.57 0.00 -0.13 0.00 0.00 59.36 58.10 1thk h GLU 187 Cb 1.29 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 1thk h GLU 187 CO 0.47 0.50 -0.23 0.45 -0.73 0.00 0.00 179.01 179.47 1thk s SER 188 N -5.78 6.60 -0.14 1.04 0.15 -1.26 -5.01 113.70 109.29 1thk s SER 188 Ca -0.14 0.76 0.15 0.00 0.70 0.00 0.00 55.95 57.43 1thk s SER 188 Cb 0.06 -2.16 0.52 0.00 -1.71 0.00 0.00 66.02 62.73 1thk s SER 188 CO 0.72 0.07 1.43 0.18 1.20 0.00 0.00 173.24 176.84 1thk n LEU 189 N 0.39 3.90 -4.76 3.45 4.77 -1.26 -4.74 117.00 118.75 1thk n LEU 189 Ca -0.04 -2.76 -0.39 0.00 -0.03 0.00 0.00 56.01 52.78 1thk n LEU 189 Cb 0.52 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1thk n LEU 189 CO 0.45 0.69 1.00 -1.81 -1.33 0.00 0.00 177.39 176.40 1thk s ASP 190 N -1.58 5.75 0.26 -1.43 1.01 -1.26 -4.77 116.67 114.65 1thk s ASP 190 Ca 0.40 2.78 -0.12 0.00 0.71 0.00 0.00 52.55 56.32 1thk s ASP 190 Cb 0.30 -2.64 -0.00 0.00 1.01 0.00 0.00 42.92 41.59 1thk s ASP 190 CO 0.12 -1.24 0.48 -0.72 0.21 0.00 0.00 175.17 174.02 1thk s TYR 191 N -1.27 0.41 0.07 4.23 -0.85 -1.26 -1.86 117.35 116.82 1thk s TYR 191 Ca 0.64 -0.77 0.09 0.00 -0.52 0.00 0.00 57.07 56.50 1thk s TYR 191 Cb -0.41 0.18 -0.03 0.00 0.38 0.00 0.00 41.96 42.08 1thk s TYR 191 CO 0.50 -1.01 -0.22 -1.58 -1.52 0.00 0.00 175.55 171.73 1thk s TRP 192 N -3.92 2.45 -0.02 -3.49 0.51 -0.41 -0.87 118.94 113.19 1thk s TRP 192 Ca 0.23 -0.32 -0.06 0.00 -2.12 0.00 0.00 56.10 53.83 1thk s TRP 192 Cb -0.01 -1.39 0.01 0.00 -0.81 0.00 0.00 33.47 31.27 1thk s TRP 192 CO 0.10 0.26 0.13 -0.08 -0.51 0.00 0.00 176.95 176.85 1thk s THR 193 N -0.95 0.05 0.12 2.01 -1.32 0.29 -1.00 115.64 114.83 1thk s THR 193 Ca 0.14 -0.38 -0.24 0.00 -1.21 0.00 0.00 61.69 60.00 1thk s THR 193 Cb -0.10 -0.32 0.07 0.00 -1.51 0.00 0.00 72.50 70.64 1thk s THR 193 CO 0.05 -0.21 0.61 -0.72 -2.21 0.00 0.00 174.62 172.15 1thk s TYR 194 N -0.71 -0.56 -0.01 9.09 1.13 -1.04 -1.55 117.35 123.70 1thk s TYR 194 Ca -0.08 0.46 -0.28 0.00 -1.41 0.00 0.00 57.07 55.77 1thk s TYR 194 Cb -0.05 0.53 -0.03 0.00 -1.10 0.00 0.00 41.96 41.31 1thk s TYR 194 CO 0.01 -0.81 0.88 -1.25 -2.51 0.00 0.00 175.55 171.87 1thk s PRO 195 N -3.31 4.53 0.00 -3.49 0.04 -1.26 -1.14 135.00 130.37 1thk s PRO 195 Ca -0.01 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1thk s PRO 195 Cb -0.01 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.08 1thk s PRO 195 CO -0.09 0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.37 1thk n GLY 196 N 2.91 4.85 3.30 0.56 0.00 0.12 -4.84 105.19 112.09 1thk n GLY 196 Ca 0.03 -0.83 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 1thk n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1thk s SER 197 N 1.33 1.83 0.51 1.61 1.04 -1.11 -2.56 113.70 116.36 1thk s SER 197 Ca 0.00 -1.78 -0.20 0.00 0.48 0.00 0.00 55.95 54.45 1thk s SER 197 Cb 0.00 0.57 -0.07 0.00 0.10 0.00 0.00 66.02 66.62 1thk s SER 197 CO 0.00 -1.07 1.07 -0.76 0.98 0.00 0.00 173.24 173.45 1thk s LEU 198 N -3.40 3.81 0.00 2.42 1.43 -0.60 -4.53 118.68 117.80 1thk s LEU 198 Ca 0.40 2.01 0.22 0.00 -1.03 0.00 0.00 54.13 55.73 1thk s LEU 198 Cb 0.02 -4.57 0.52 0.00 0.03 0.00 0.00 46.19 42.19 1thk s LEU 198 CO 0.28 -0.93 1.44 0.35 0.23 0.00 0.00 176.35 177.72 1thk n THR 199 N -1.10 0.53 -4.24 5.49 -2.24 -1.26 -4.49 114.28 106.97 1thk n THR 199 Ca 0.10 -0.69 -0.18 0.00 -2.27 0.00 0.00 64.05 61.01 1thk n THR 199 Cb 0.52 0.70 -0.11 0.00 -2.10 0.00 0.00 70.33 69.34 1thk n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1thk s THR 200 N -1.47 1.33 0.52 4.28 -4.23 -1.26 -4.75 115.64 110.06 1thk s THR 200 Ca 0.38 -1.67 -0.21 0.00 -1.18 0.00 0.00 61.69 59.01 1thk s THR 200 Cb 0.21 -1.49 -0.08 0.00 1.34 0.00 0.00 72.50 72.48 1thk s THR 200 CO 0.30 -0.38 0.86 -2.65 -0.54 0.00 0.00 174.62 172.21 1thk n PRO 201 N 0.63 0.96 0.00 3.99 -0.02 -1.26 -0.69 135.00 138.61 1thk n PRO 201 Ca -0.16 0.36 0.05 0.00 -2.02 0.00 0.00 63.50 61.73 1thk n PRO 201 Cb 0.57 -1.99 0.29 0.00 -0.02 0.00 0.00 33.50 32.34 1thk n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1thk n PRO 202 N -0.31 0.52 -2.65 0.52 -0.04 -1.26 -4.99 135.00 126.79 1thk n PRO 202 Ca 0.12 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.40 1thk n PRO 202 Cb 0.44 -1.29 -0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1thk n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1thk n LEU 203 N -0.79 -1.64 -4.77 1.53 4.77 0.14 -4.91 117.00 111.32 1thk n LEU 203 Ca 0.07 -0.02 -0.40 0.00 -0.03 0.00 0.00 56.01 55.64 1thk n LEU 203 Cb 0.03 -2.47 0.01 0.00 -2.33 0.00 0.00 43.42 38.66 1thk n LEU 203 CO 0.05 -0.06 1.06 -0.76 -1.33 0.00 0.00 177.39 176.36 1thk s LEU 204 N -6.01 4.20 -1.23 2.23 1.43 -1.26 -4.38 118.68 113.64 1thk s LEU 204 Ca 0.10 2.89 -0.09 0.00 -1.03 0.00 0.00 54.13 56.01 1thk s LEU 204 Cb -0.05 -3.85 0.20 0.00 0.03 0.00 0.00 46.19 42.51 1thk s LEU 204 CO 0.13 -1.01 1.76 -0.62 0.23 0.00 0.00 176.35 176.84 1thk n GLU 205 N 0.07 3.78 -0.09 1.70 1.02 -1.26 -1.56 120.64 124.29 1thk n GLU 205 Ca 0.04 -3.76 0.02 0.00 -0.02 0.00 0.00 57.16 53.43 1thk n GLU 205 Cb 0.42 -2.84 0.03 0.00 -0.02 0.00 0.00 31.44 29.02 1thk n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1thk s VAL 207 N -0.98 4.03 -0.51 0.00 1.01 -1.06 -0.67 120.40 122.23 1thk s VAL 207 Ca 0.07 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.57 1thk s VAL 207 Cb 0.06 -2.71 0.12 0.00 0.00 0.00 0.00 36.38 33.85 1thk s VAL 207 CO 0.01 0.56 0.44 -0.89 0.00 0.00 0.00 175.10 175.22 1thk s THR 208 N -0.44 4.89 0.16 3.92 2.01 -0.34 0.14 115.64 125.99 1thk s THR 208 Ca 0.07 -1.53 -0.30 0.00 0.31 0.00 0.00 61.69 60.24 1thk s THR 208 Cb -0.12 -4.13 -0.07 0.00 0.01 0.00 0.00 72.50 68.19 1thk s THR 208 CO 0.02 -0.80 1.01 0.26 -0.69 0.00 0.00 174.62 174.42 1thk s TRP 209 N 1.53 3.77 -0.30 4.92 0.52 -0.29 -2.86 118.94 126.24 1thk s TRP 209 Ca 0.04 1.76 0.00 0.00 0.02 0.00 0.00 56.10 57.92 1thk s TRP 209 Cb -0.28 -3.12 0.09 0.00 -1.15 0.00 0.00 33.47 29.01 1thk s TRP 209 CO 0.02 -0.02 0.06 0.42 0.02 0.00 0.00 176.95 177.44 1thk s ILE 210 N -0.34 1.30 -0.26 2.03 1.01 -0.63 -2.50 121.20 121.80 1thk s ILE 210 Ca 0.46 -1.54 -0.08 0.00 0.00 0.00 0.00 60.65 59.49 1thk s ILE 210 Cb -0.26 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 1thk s ILE 210 CO 0.32 -0.53 0.09 -0.69 0.00 0.00 0.00 174.94 174.13 1thk s VAL 211 N 1.42 4.38 0.27 2.92 1.01 -0.17 -0.16 120.40 130.07 1thk s VAL 211 Ca 0.07 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 1thk s VAL 211 Cb -0.18 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.02 1thk s VAL 211 CO -0.17 0.28 1.16 -0.76 0.00 0.00 0.00 175.10 175.61 1thk s LEU 212 N 1.61 4.51 0.17 3.92 1.43 -0.30 -1.28 118.68 128.74 1thk s LEU 212 Ca 0.06 2.34 -0.07 0.00 -1.03 0.00 0.00 54.13 55.43 1thk s LEU 212 Cb -0.16 -3.63 0.06 0.00 0.03 0.00 0.00 46.19 42.50 1thk s LEU 212 CO 0.04 -0.26 1.51 0.50 0.23 0.00 0.00 176.35 178.37 1thk h LYS 213 N 4.04 0.75 -5.57 1.70 3.64 -1.71 -3.43 116.57 115.98 1thk h LYS 213 Ca -0.47 -0.41 -0.61 0.00 -1.27 0.00 0.00 60.65 57.89 1thk h LYS 213 Cb 1.21 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.95 1thk h LYS 213 CO 0.68 1.04 0.22 -2.00 -2.27 0.00 0.00 179.45 177.12 1thk s GLU 214 N -4.24 4.05 0.66 1.90 2.12 -1.26 -5.02 118.70 116.89 1thk s GLU 214 Ca -0.09 0.53 -0.09 0.00 0.36 0.00 0.00 54.97 55.68 1thk s GLU 214 Cb 0.11 -3.68 0.01 0.00 0.26 0.00 0.00 34.13 30.84 1thk s GLU 214 CO 0.86 -0.50 1.02 -1.25 -0.54 0.00 0.00 175.26 174.84 1thk s PRO 215 N 2.63 2.89 0.13 4.30 0.04 -1.26 -4.68 135.00 139.04 1thk s PRO 215 Ca 0.28 0.27 0.04 0.00 0.04 0.00 0.00 61.00 61.63 1thk s PRO 215 Cb -0.15 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1thk s PRO 215 CO 0.10 -0.89 0.11 0.96 0.04 0.00 0.00 177.00 177.31 1thk s ILE 216 N -3.21 4.48 -0.11 0.56 -4.36 -0.19 -4.91 121.20 113.46 1thk s ILE 216 Ca 0.56 -0.95 -0.06 0.00 -0.26 0.00 0.00 60.65 59.94 1thk s ILE 216 Cb -0.11 -3.23 -0.04 0.00 1.25 0.00 0.00 42.46 40.33 1thk s ILE 216 CO 0.49 -0.00 0.13 -0.44 0.24 0.00 0.00 174.94 175.35 1thk s SER 217 N -2.78 6.26 0.12 4.36 0.01 -1.26 -1.59 113.70 118.83 1thk s SER 217 Ca 0.30 0.43 0.05 0.00 1.31 0.00 0.00 55.95 58.04 1thk s SER 217 Cb -0.11 -2.00 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 1thk s SER 217 CO 0.23 0.40 -0.12 0.68 0.41 0.00 0.00 173.24 174.83 1thk s VAL 218 N -1.03 1.19 0.56 3.43 -7.23 -0.49 -3.59 120.40 113.25 1thk s VAL 218 Ca 0.15 -1.79 -0.08 0.00 -1.81 0.00 0.00 61.98 58.46 1thk s VAL 218 Cb -0.12 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 1thk s VAL 218 CO 0.05 -0.54 0.91 -0.94 -0.31 0.00 0.00 175.10 174.27 1thk s SER 219 N -2.64 6.08 0.30 4.85 1.04 -1.14 -0.35 113.70 121.85 1thk s SER 219 Ca 0.10 1.07 0.00 0.00 0.48 0.00 0.00 55.95 57.60 1thk s SER 219 Cb -0.03 -2.21 0.51 0.00 0.10 0.00 0.00 66.02 64.39 1thk s SER 219 CO 0.02 -0.81 1.92 -1.28 0.98 0.00 0.00 173.24 174.07 1thk h SER 220 N -0.09 0.92 -0.41 7.02 0.87 -1.93 -1.89 113.55 118.04 1thk h SER 220 Ca -0.46 -0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.04 1thk h SER 220 Cb 1.21 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 1thk h SER 220 CO 0.62 0.61 0.04 -0.33 -0.53 0.00 0.00 176.83 177.24 1thk h GLU 221 N 1.05 0.78 -0.15 2.24 3.07 -1.95 -1.28 114.58 118.33 1thk h GLU 221 Ca 0.37 -0.19 -0.04 0.00 -0.50 0.00 0.00 59.36 59.00 1thk h GLU 221 Cb 0.13 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1thk h GLU 221 CO -0.13 0.76 -0.07 1.96 -1.40 0.00 0.00 179.01 180.13 1thk h GLN 222 N 0.74 0.31 -0.00 2.33 4.20 -1.74 -3.02 115.11 117.94 1thk h GLN 222 Ca 0.15 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 1thk h GLN 222 Cb 0.39 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.14 1thk h GLN 222 CO 0.01 0.63 -0.40 -0.39 -0.67 0.00 0.00 178.83 178.01 1thk h VAL 223 N -0.01 1.29 -0.67 -0.54 -1.51 -1.35 -2.78 116.25 110.67 1thk h VAL 223 Ca 0.03 -1.39 -0.01 0.00 -1.23 0.00 0.00 66.70 64.11 1thk h VAL 223 Cb 0.53 1.75 -0.03 0.00 -2.13 0.00 0.00 31.29 31.40 1thk h VAL 223 CO 0.02 0.40 0.39 0.25 -1.23 0.00 0.00 177.57 177.40 1thk h LEU 224 N 0.00 0.81 -1.24 4.19 7.12 -1.15 -1.61 115.31 123.44 1thk h LEU 224 Ca -0.00 -0.05 -0.07 0.00 0.13 0.00 0.00 57.88 57.88 1thk h LEU 224 Cb 0.72 -0.21 -0.01 0.00 -0.53 0.00 0.00 40.66 40.63 1thk h LEU 224 CO 0.05 0.64 -0.28 0.11 -0.13 0.00 0.00 178.44 178.83 1thk h LYS 225 N 0.93 0.16 -0.72 1.25 1.57 -1.36 -2.29 116.57 116.11 1thk h LYS 225 Ca 0.24 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1thk h LYS 225 Cb -0.01 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1thk h LYS 225 CO -0.04 0.44 0.47 0.74 -0.57 0.00 0.00 179.45 180.48 1thk h PHE 226 N 0.15 0.88 0.00 -1.35 -1.00 -1.31 -2.32 116.94 111.99 1thk h PHE 226 Ca 0.02 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1thk h PHE 226 Cb 0.58 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 39.84 1thk h PHE 226 CO 0.01 0.54 0.00 0.54 -1.61 0.00 0.00 178.31 177.79 1thk n ARG 227 N -4.61 0.38 0.00 1.51 1.74 -0.87 -2.64 116.66 112.18 1thk n ARG 227 Ca 0.07 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.34 1thk n ARG 227 Cb 0.04 -1.50 0.26 0.00 -1.02 0.00 0.00 32.46 30.24 1thk n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1thk n LYS 228 N -1.13 1.24 -1.52 5.56 5.02 -0.87 -4.49 118.16 121.97 1thk n LYS 228 Ca 0.10 -0.87 -0.30 0.00 -2.02 0.00 0.00 58.31 55.21 1thk n LYS 228 Cb 0.09 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 33.69 1thk n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1thk s LEU 229 N -2.36 2.85 0.01 -0.35 1.43 -1.08 -4.87 118.68 114.31 1thk s LEU 229 Ca 0.25 1.49 0.08 0.00 -1.03 0.00 0.00 54.13 54.93 1thk s LEU 229 Cb 0.19 -4.22 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 1thk s LEU 229 CO 0.48 -1.78 -0.24 0.20 0.23 0.00 0.00 176.35 175.24 1thk s ASN 230 N -3.79 3.31 0.04 2.29 0.02 0.02 0.38 114.94 117.22 1thk s ASN 230 Ca 0.60 -0.49 -0.16 0.00 -1.02 0.00 0.00 52.86 51.78 1thk s ASN 230 Cb -0.15 -0.41 -0.24 0.00 0.02 0.00 0.00 41.25 40.47 1thk s ASN 230 CO 0.55 0.29 1.13 -0.26 0.02 0.00 0.00 177.10 178.83 1thk h PHE 231 N 5.03 0.87 -4.01 2.20 0.04 -1.34 -3.34 116.94 116.38 1thk h PHE 231 Ca -0.46 -0.49 -0.48 0.00 2.80 0.00 0.00 57.97 59.34 1thk h PHE 231 Cb 1.14 -0.09 0.16 0.00 2.20 0.00 0.00 35.95 39.35 1thk h PHE 231 CO 0.46 1.33 0.22 0.54 -0.60 0.00 0.00 178.31 180.26 1thk s ASN 232 N -7.11 3.17 0.44 2.17 4.22 -1.26 -4.33 114.94 112.24 1thk s ASN 232 Ca -0.11 1.58 -0.00 0.00 -2.14 0.00 0.00 52.86 52.19 1thk s ASN 232 Cb 0.05 -2.24 -0.01 0.00 1.28 0.00 0.00 41.25 40.33 1thk s ASN 232 CO 0.89 -2.84 0.66 -0.83 -2.04 0.00 0.00 177.10 172.93 1thk s GLY 233 N -3.24 1.52 0.39 0.45 0.00 -1.26 -1.52 107.32 103.65 1thk s GLY 233 Ca 0.64 -1.00 -0.27 0.00 0.00 0.00 0.00 44.72 44.09 1thk s GLY 233 CO 0.58 -0.85 1.35 -2.21 0.00 0.00 0.00 173.10 171.97 1thk n GLU 234 N -2.04 2.23 -0.75 2.90 2.13 -1.26 -2.54 120.64 121.30 1thk n GLU 234 Ca 0.00 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.61 1thk n GLU 234 Cb 0.57 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.82 1thk n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1thk n GLY 235 N 0.68 0.57 3.37 8.31 0.00 -1.26 -5.06 105.19 111.81 1thk n GLY 235 Ca 0.04 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.43 1thk n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1thk s GLU 236 N -0.92 1.43 0.15 1.61 2.02 -1.05 -5.10 118.70 116.83 1thk s GLU 236 Ca 0.00 -1.72 -0.34 0.00 0.02 0.00 0.00 54.97 52.93 1thk s GLU 236 Cb 0.00 -0.84 -0.14 0.00 0.10 0.00 0.00 34.13 33.25 1thk s GLU 236 CO 0.00 -0.04 1.59 -2.30 0.02 0.00 0.00 175.26 174.52 1thk n PRO 237 N -0.49 2.12 -2.17 0.39 -0.02 -1.26 -4.88 135.00 128.69 1thk n PRO 237 Ca -0.05 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 1thk n PRO 237 Cb 0.64 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 1thk n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1thk s GLU 238 N 1.06 4.26 -0.19 -0.52 2.12 -1.26 -4.77 118.70 119.40 1thk s GLU 238 Ca 0.80 2.02 0.00 0.00 0.36 0.00 0.00 54.97 58.14 1thk s GLU 238 Cb -0.69 -3.63 0.05 0.00 0.26 0.00 0.00 34.13 30.12 1thk s GLU 238 CO 0.39 -0.63 -0.06 -1.21 -0.54 0.00 0.00 175.26 173.21 1thk s GLU 239 N 2.65 1.60 0.30 4.30 2.02 -1.26 -5.06 118.70 123.25 1thk s GLU 239 Ca 0.66 -0.71 -0.29 0.00 0.02 0.00 0.00 54.97 54.65 1thk s GLU 239 Cb -0.32 -2.26 -0.10 0.00 0.10 0.00 0.00 34.13 31.55 1thk s GLU 239 CO 0.27 -0.48 1.40 -0.51 0.02 0.00 0.00 175.26 175.96 1thk s LEU 240 N 1.53 4.39 -0.93 1.80 1.43 -1.26 -1.03 118.68 124.60 1thk s LEU 240 Ca -0.01 2.75 -0.23 0.00 -1.03 0.00 0.00 54.13 55.60 1thk s LEU 240 Cb -0.16 -3.64 0.06 0.00 0.03 0.00 0.00 46.19 42.47 1thk s LEU 240 CO -0.08 -0.67 1.35 -0.32 0.23 0.00 0.00 176.35 176.86 1thk s MET 241 N -1.18 3.48 0.04 1.70 -2.45 0.16 -4.62 119.30 116.44 1thk s MET 241 Ca 0.55 -0.99 -0.01 0.00 -1.25 0.00 0.00 55.69 53.98 1thk s MET 241 Cb -0.42 -5.00 -0.03 0.00 1.25 0.00 0.00 34.83 30.63 1thk s MET 241 CO 0.50 -2.13 -0.01 0.14 1.05 0.00 0.00 175.02 174.58 1thk s VAL 242 N 4.82 0.17 -1.32 10.11 -7.23 -1.26 -4.53 120.40 121.17 1thk s VAL 242 Ca 0.41 -1.43 -0.02 0.00 -1.81 0.00 0.00 61.98 59.13 1thk s VAL 242 Cb -0.03 -1.05 0.01 0.00 0.56 0.00 0.00 36.38 35.87 1thk s VAL 242 CO -0.04 -0.79 0.80 0.47 -0.31 0.00 0.00 175.10 175.23 1thk n ASP 243 N 0.65 -1.89 -2.71 4.85 8.00 -0.37 -4.86 116.55 120.23 1thk n ASP 243 Ca -0.18 -0.77 -0.34 0.00 0.71 0.00 0.00 54.79 54.21 1thk n ASP 243 Cb 0.59 -4.25 -0.01 0.00 -0.02 0.00 0.00 41.12 37.43 1thk n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1thk n ASN 244 N -3.04 7.03 -4.31 -2.24 6.94 -1.10 -4.91 115.26 113.63 1thk n ASN 244 Ca -0.25 -3.54 -0.26 0.00 -0.02 0.00 0.00 54.58 50.51 1thk n ASN 244 Cb 0.66 -1.15 -0.13 0.00 -2.36 0.00 0.00 39.78 36.80 1thk n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 1thk s TRP 245 N -2.95 1.99 -0.08 -2.53 1.48 -1.26 -4.65 118.94 110.94 1thk s TRP 245 Ca 0.55 -0.40 -0.12 0.00 -1.06 0.00 0.00 56.10 55.08 1thk s TRP 245 Cb 0.41 -1.12 -0.05 0.00 -1.16 0.00 0.00 33.47 31.55 1thk s TRP 245 CO -0.32 0.20 0.29 0.50 -4.06 0.00 0.00 176.95 173.55 1thk s ARG 246 N -1.66 3.87 0.74 3.25 3.52 -1.26 -4.98 118.95 122.43 1thk s ARG 246 Ca 0.09 0.15 -0.13 0.00 -0.13 0.00 0.00 55.73 55.71 1thk s ARG 246 Cb -0.10 -3.27 0.04 0.00 -1.56 0.00 0.00 34.95 30.07 1thk s ARG 246 CO 0.04 0.59 1.13 -2.14 -0.81 0.00 0.00 175.30 174.10 1thk s PRO 247 N -0.61 2.27 0.42 5.12 0.02 -1.26 -4.67 135.00 136.28 1thk s PRO 247 Ca 0.19 1.42 -0.26 0.00 0.02 0.00 0.00 61.00 62.37 1thk s PRO 247 Cb -0.14 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.40 1thk s PRO 247 CO 0.08 -1.67 1.37 0.00 -0.33 0.00 0.00 177.00 176.44 1thk n ALA 248 N -3.04 1.75 -2.51 -1.55 0.00 -1.26 -4.41 120.51 109.48 1thk n ALA 248 Ca 0.11 0.28 -0.22 0.00 0.00 0.00 0.00 53.44 53.61 1thk n ALA 248 Cb 0.52 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.58 1thk n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1thk s GLN 249 N -2.23 2.56 0.26 0.00 -1.52 0.14 -4.94 119.66 113.92 1thk s GLN 249 Ca 0.59 -1.42 -0.31 0.00 -1.95 0.00 0.00 55.36 52.28 1thk s GLN 249 Cb -0.49 -2.33 -0.11 0.00 -0.22 0.00 0.00 33.01 29.85 1thk s GLN 249 CO 0.59 0.10 1.62 -2.14 -0.25 0.00 0.00 175.29 175.21 1thk s PRO 250 N -3.93 4.13 0.24 2.91 0.02 -1.26 -4.58 135.00 132.54 1thk s PRO 250 Ca 0.39 2.57 0.03 0.00 0.02 0.00 0.00 61.00 64.01 1thk s PRO 250 Cb -0.04 -3.05 0.27 0.00 0.02 0.00 0.00 34.50 31.70 1thk s PRO 250 CO 0.25 -0.65 1.59 1.25 -0.33 0.00 0.00 177.00 179.10 1thk h LEU 251 N 5.46 0.36 0.00 -5.54 5.85 -1.94 -3.43 115.31 116.06 1thk h LEU 251 Ca -0.46 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1thk h LEU 251 Cb 1.21 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1thk h LEU 251 CO 0.84 0.82 0.00 0.29 -0.34 0.00 0.00 178.44 180.05 1thk n LYS 252 N -3.94 0.00 -1.29 1.25 4.76 -1.26 -3.19 118.16 114.49 1thk n LYS 252 Ca -0.02 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.10 1thk n LYS 252 Cb 0.57 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.69 1thk n LYS 252 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1thk n ASN 253 N -0.25 7.70 -4.15 4.39 4.13 -1.26 -4.90 115.26 120.92 1thk n ASN 253 Ca 0.00 -2.61 -0.16 0.00 1.68 0.00 0.00 54.58 53.48 1thk n ASN 253 Cb 0.00 -1.49 -0.12 0.00 -1.54 0.00 0.00 39.78 36.63 1thk n ASN 253 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1thk s ARG 254 N 1.45 0.77 -0.05 3.52 0.52 -1.19 -5.13 118.95 118.83 1thk s ARG 254 Ca 0.68 -0.95 0.06 0.00 -0.52 0.00 0.00 55.73 54.99 1thk s ARG 254 Cb 0.22 -0.66 -0.01 0.00 0.52 0.00 0.00 34.95 35.02 1thk s ARG 254 CO -0.05 0.14 -0.24 -1.14 0.02 0.00 0.00 175.30 174.02 1thk s GLN 255 N -1.91 2.41 -0.14 3.54 0.74 -1.26 -5.03 119.66 118.01 1thk s GLN 255 Ca -0.02 -0.88 -0.17 0.00 0.05 0.00 0.00 55.36 54.34 1thk s GLN 255 Cb -0.09 -2.08 -0.04 0.00 1.10 0.00 0.00 33.01 31.90 1thk s GLN 255 CO 0.02 0.39 0.43 0.42 -0.55 0.00 0.00 175.29 176.00 1thk s ILE 256 N -0.20 5.21 0.08 -2.34 1.01 -1.26 -4.73 121.20 118.97 1thk s ILE 256 Ca -0.02 0.84 0.04 0.00 0.00 0.00 0.00 60.65 61.51 1thk s ILE 256 Cb -0.13 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1thk s ILE 256 CO 0.03 0.32 0.04 -0.54 0.00 0.00 0.00 174.94 174.79 1thk s LYS 257 N 0.75 2.74 0.07 2.79 1.02 -0.60 -1.32 119.74 125.18 1thk s LYS 257 Ca 0.23 -0.75 0.10 0.00 0.02 0.00 0.00 55.97 55.57 1thk s LYS 257 Cb -0.15 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.48 1thk s LYS 257 CO 0.09 0.56 -0.26 0.00 -0.92 0.00 0.00 175.35 174.81 1thk s ALA 258 N -1.35 2.31 -2.36 5.17 0.00 0.05 -0.55 121.76 125.03 1thk s ALA 258 Ca 0.28 -1.31 0.23 0.00 0.00 0.00 0.00 51.96 51.15 1thk s ALA 258 Cb -0.12 -0.47 0.81 0.00 0.00 0.00 0.00 23.12 23.33 1thk s ALA 258 CO 0.20 0.54 1.59 -1.13 0.00 0.00 0.00 175.76 176.96 1thk n SER 259 N 1.54 1.72 -4.06 0.00 3.41 -0.05 -1.57 113.62 114.61 1thk n SER 259 Ca -0.17 -1.67 -0.07 0.00 -0.26 0.00 0.00 58.87 56.70 1thk n SER 259 Cb 0.52 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.29 1thk n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1thk s PHE 260 N -1.84 0.48 0.00 7.33 -0.71 -1.26 -4.88 117.98 117.10 1thk s PHE 260 Ca 0.34 -1.01 0.00 0.00 -1.04 0.00 0.00 56.93 55.22 1thk s PHE 260 Cb 0.19 -0.35 0.00 0.00 -1.21 0.00 0.00 43.02 41.64 1thk s PHE 260 CO 0.28 -0.40 0.27 0.36 -1.34 0.00 0.00 175.22 174.39