#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwk s MET 2 N 0.00 1.52 -0.05 0.54 -1.94 -0.46 -4.76 119.30 114.16 1xwk s MET 2 Ca 0.00 1.36 -0.00 0.00 -1.71 0.00 0.00 55.69 55.34 1xwk s MET 2 Cb 0.00 -1.80 0.03 0.00 2.01 0.00 0.00 34.83 35.07 1xwk s MET 2 CO 0.00 -2.22 0.00 -1.50 -0.01 0.00 0.00 175.02 171.29 1xwk s ILE 3 N -2.76 0.26 -0.25 2.53 2.07 -0.52 -0.48 121.20 122.04 1xwk s ILE 3 Ca 0.64 0.11 -0.07 0.00 -1.41 0.00 0.00 60.65 59.92 1xwk s ILE 3 Cb -0.20 -0.38 -0.02 0.00 0.13 0.00 0.00 42.46 41.98 1xwk s ILE 3 CO 0.57 0.20 0.06 -0.22 -1.91 0.00 0.00 174.94 173.64 1xwk s LEU 4 N 1.44 3.42 -0.03 8.50 2.96 -0.86 -0.95 118.68 133.17 1xwk s LEU 4 Ca -0.04 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1xwk s LEU 4 Cb -0.13 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 1xwk s LEU 4 CO -0.03 -0.05 0.08 -0.83 -1.32 0.00 0.00 176.35 174.20 1xwk s GLY 5 N 1.58 2.01 -0.03 7.98 0.00 -0.53 -0.66 107.32 117.68 1xwk s GLY 5 Ca 0.06 -0.82 -0.30 0.00 0.00 0.00 0.00 44.72 43.66 1xwk s GLY 5 CO 0.03 -0.66 1.31 -0.47 0.00 0.00 0.00 173.10 173.30 1xwk s TYR 6 N -1.13 -0.00 0.91 1.90 5.04 -1.07 -2.40 117.35 120.61 1xwk s TYR 6 Ca 0.20 -0.09 -0.12 0.00 -2.44 0.00 0.00 57.07 54.63 1xwk s TYR 6 Cb -0.12 0.55 0.14 0.00 0.35 0.00 0.00 41.96 42.88 1xwk s TYR 6 CO 0.11 -0.23 1.09 -1.58 -1.34 0.00 0.00 175.55 173.60 1xwk s TRP 7 N -2.17 2.31 -0.39 4.97 0.52 -1.26 -0.99 118.94 121.93 1xwk s TRP 7 Ca 0.22 1.16 -0.07 0.00 0.02 0.00 0.00 56.10 57.43 1xwk s TRP 7 Cb 0.03 -3.19 -0.21 0.00 -1.15 0.00 0.00 33.47 28.94 1xwk s TRP 7 CO -0.03 -2.47 3.43 -3.47 0.02 0.00 0.00 176.95 174.44 1xwk n ASP 8 N -3.91 6.10 -2.60 2.95 4.64 -0.40 -4.52 116.55 118.81 1xwk n ASP 8 Ca 0.06 -2.54 -0.14 0.00 -1.38 0.00 0.00 54.79 50.80 1xwk n ASP 8 Cb 0.56 -1.44 -0.05 0.00 -1.04 0.00 0.00 41.12 39.15 1xwk n ASP 8 CO 0.00 0.00 0.00 2.30 -0.82 0.00 0.00 177.20 178.68 1xwk n ILE 9 N 2.66 0.00 0.00 5.18 -5.35 -1.26 -4.75 119.36 115.83 1xwk n ILE 9 Ca 0.51 -1.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.30 1xwk n ILE 9 Cb 0.75 0.87 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 1xwk n ILE 9 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1xwk n ARG 10 N -0.46 0.00 0.00 6.28 0.63 -0.55 -4.86 116.66 117.70 1xwk n ARG 10 Ca 0.05 0.33 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 1xwk n ARG 10 Cb 0.44 -0.82 0.00 0.00 0.45 0.00 0.00 32.46 32.53 1xwk n ARG 10 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1xwk n GLY 11 N 2.14 2.37 0.08 5.14 0.00 -0.39 -2.24 105.19 112.30 1xwk n GLY 11 Ca 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1xwk n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xwk n LEU 12 N 0.00 0.54 0.19 0.99 4.77 -1.26 -3.41 117.00 118.82 1xwk n LEU 12 Ca 0.00 0.57 0.10 0.00 -0.03 0.00 0.00 56.01 56.65 1xwk n LEU 12 Cb 0.00 -0.43 0.12 0.00 -2.33 0.00 0.00 43.42 40.78 1xwk n LEU 12 CO 0.00 -0.23 0.64 0.00 -1.33 0.00 0.00 177.39 176.47 1xwk h ALA 13 N 2.56 0.88 -0.38 -1.18 0.00 -1.78 -3.39 119.26 115.97 1xwk h ALA 13 Ca 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1xwk h ALA 13 Cb 0.57 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 1xwk h ALA 13 CO 0.00 0.14 -0.54 1.25 0.00 0.00 0.00 179.25 180.10 1xwk h HIS 14 N 0.00 -1.64 -0.81 0.00 6.17 -1.51 0.30 115.15 117.65 1xwk h HIS 14 Ca -0.00 0.08 0.11 0.00 0.71 0.00 0.00 60.37 61.26 1xwk h HIS 14 Cb 1.08 0.77 -0.06 0.00 2.52 0.00 0.00 27.41 31.72 1xwk h HIS 14 CO 0.00 -0.47 0.53 0.00 0.71 0.00 0.00 177.93 178.70 1xwk h ALA 15 N -0.11 1.78 -0.07 5.26 0.00 -1.84 -0.92 119.26 123.36 1xwk h ALA 15 Ca 0.07 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xwk h ALA 15 Cb 0.58 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xwk h ALA 15 CO -0.57 0.04 -0.07 0.82 0.00 0.00 0.00 179.25 179.48 1xwk h ILE 16 N 0.72 1.36 -0.30 0.00 2.04 -1.31 0.02 117.51 120.05 1xwk h ILE 16 Ca 0.38 -1.19 0.06 0.00 1.00 0.00 0.00 64.86 65.11 1xwk h ILE 16 Cb 0.50 1.99 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 1xwk h ILE 16 CO -0.15 0.33 -0.06 0.03 0.00 0.00 0.00 178.15 178.30 1xwk h ARG 17 N -0.24 0.02 -0.54 2.37 3.08 0.09 0.21 114.38 119.36 1xwk h ARG 17 Ca 0.01 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.11 1xwk h ARG 17 Cb 0.56 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.56 1xwk h ARG 17 CO 0.02 0.01 0.28 -0.07 -1.07 0.00 0.00 179.97 179.14 1xwk h LEU 18 N 0.02 0.41 -0.67 3.04 3.38 -1.12 -0.49 115.31 119.88 1xwk h LEU 18 Ca 0.14 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1xwk h LEU 18 Cb 0.21 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1xwk h LEU 18 CO -0.29 0.28 0.21 0.25 0.09 0.00 0.00 178.44 178.98 1xwk h LEU 19 N 0.55 0.98 -0.31 1.67 5.85 -0.29 -0.41 115.31 123.35 1xwk h LEU 19 Ca 0.24 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1xwk h LEU 19 Cb 0.14 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1xwk h LEU 19 CO -0.16 0.93 0.14 -0.07 -0.34 0.00 0.00 178.44 178.93 1xwk h LEU 20 N 0.98 0.20 0.28 2.25 3.38 0.07 -1.67 115.31 120.79 1xwk h LEU 20 Ca 0.22 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1xwk h LEU 20 Cb 0.30 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1xwk h LEU 20 CO -0.01 0.15 -0.16 -0.33 0.09 0.00 0.00 178.44 178.18 1xwk h GLU 21 N 0.30 -0.40 -0.48 1.13 4.39 -0.81 -0.99 114.58 117.71 1xwk h GLU 21 Ca 0.13 0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.98 1xwk h GLU 21 Cb 0.06 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1xwk h GLU 21 CO -0.10 -0.27 0.34 -0.92 -1.16 0.00 0.00 179.01 176.90 1xwk h TYR 22 N -0.42 0.08 -0.02 4.33 3.20 -0.93 -1.20 116.97 122.02 1xwk h TYR 22 Ca -0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 1xwk h TYR 22 Cb 0.34 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1xwk h TYR 22 CO -0.08 0.04 -0.04 0.25 -1.64 0.00 0.00 178.16 176.69 1xwk n THR 23 N -4.42 0.00 -2.38 1.81 -2.24 -0.64 -4.94 114.28 101.48 1xwk n THR 23 Ca 0.08 -0.28 -0.20 0.00 -2.27 0.00 0.00 64.05 61.39 1xwk n THR 23 Cb 0.50 0.68 -0.01 0.00 -2.10 0.00 0.00 70.33 69.40 1xwk n THR 23 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xwk n ASP 24 N 0.28 -5.64 -4.75 3.42 8.00 -0.45 -4.94 116.55 112.46 1xwk n ASP 24 Ca 0.17 -0.02 -0.41 0.00 0.71 0.00 0.00 54.79 55.24 1xwk n ASP 24 Cb 0.40 -4.67 -0.03 0.00 -0.02 0.00 0.00 41.12 36.80 1xwk n ASP 24 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1xwk s SER 25 N -2.11 6.88 -0.42 -2.24 0.01 -0.42 -4.97 113.70 110.42 1xwk s SER 25 Ca 0.00 2.47 -0.28 0.00 1.31 0.00 0.00 55.95 59.45 1xwk s SER 25 Cb -0.00 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.63 1xwk s SER 25 CO 0.00 -0.52 1.05 -0.55 0.41 0.00 0.00 173.24 173.64 1xwk s SER 26 N 0.11 6.69 0.18 2.44 0.15 -1.26 -4.82 113.70 117.18 1xwk s SER 26 Ca 0.55 0.57 -0.15 0.00 0.70 0.00 0.00 55.95 57.61 1xwk s SER 26 Cb -0.37 -2.52 0.02 0.00 -1.71 0.00 0.00 66.02 61.44 1xwk s SER 26 CO 0.41 -1.06 0.45 -0.72 1.20 0.00 0.00 173.24 173.53 1xwk s TYR 27 N 3.97 -0.03 0.47 3.44 1.13 -1.26 -1.35 117.35 123.73 1xwk s TYR 27 Ca 0.44 -0.32 0.01 0.00 -1.41 0.00 0.00 57.07 55.79 1xwk s TYR 27 Cb -0.10 0.28 -0.00 0.00 -1.10 0.00 0.00 41.96 41.04 1xwk s TYR 27 CO 0.25 -0.84 0.03 0.39 -2.51 0.00 0.00 175.55 172.86 1xwk n GLU 28 N -0.29 0.78 -3.79 -3.49 1.02 0.37 -4.91 120.64 110.32 1xwk n GLU 28 Ca -0.10 -3.51 -0.14 0.00 -0.02 0.00 0.00 57.16 53.38 1xwk n GLU 28 Cb 0.63 1.10 -0.15 0.00 -0.02 0.00 0.00 31.44 33.00 1xwk n GLU 28 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1xwk s GLU 29 N -3.71 0.01 -0.77 3.49 2.02 -1.26 -2.02 118.70 116.46 1xwk s GLU 29 Ca 0.04 0.19 -0.05 0.00 0.02 0.00 0.00 54.97 55.16 1xwk s GLU 29 Cb 0.00 -0.16 0.20 0.00 0.10 0.00 0.00 34.13 34.27 1xwk s GLU 29 CO 0.03 -0.12 0.64 0.21 0.02 0.00 0.00 175.26 176.04 1xwk s LYS 30 N 0.81 3.08 0.14 1.61 2.47 0.17 -4.92 119.74 123.10 1xwk s LYS 30 Ca -0.07 -2.77 -0.30 0.00 -1.56 0.00 0.00 55.97 51.27 1xwk s LYS 30 Cb -0.09 -3.99 -0.07 0.00 -1.46 0.00 0.00 37.83 32.22 1xwk s LYS 30 CO -0.03 -1.23 1.02 0.15 0.16 0.00 0.00 175.35 175.42 1xwk s LYS 31 N -0.46 4.66 -0.09 4.03 1.02 -1.26 -2.61 119.74 125.03 1xwk s LYS 31 Ca 0.21 1.55 -0.02 0.00 0.02 0.00 0.00 55.97 57.73 1xwk s LYS 31 Cb -0.14 -3.34 -0.03 0.00 -0.52 0.00 0.00 37.83 33.80 1xwk s LYS 31 CO -0.07 0.16 -0.01 0.71 -0.92 0.00 0.00 175.35 175.23 1xwk s TYR 32 N -0.10 3.13 -0.11 3.18 1.51 -0.16 -4.84 117.35 119.96 1xwk s TYR 32 Ca 0.48 0.14 -0.04 0.00 -1.01 0.00 0.00 57.07 56.64 1xwk s TYR 32 Cb -0.26 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.76 1xwk s TYR 32 CO 0.32 0.41 0.05 0.99 -1.11 0.00 0.00 175.55 176.21 1xwk s THR 33 N -0.76 4.70 -0.12 -0.71 2.01 -1.26 -1.28 115.64 118.22 1xwk s THR 33 Ca 0.12 -0.09 -0.05 0.00 0.31 0.00 0.00 61.69 61.97 1xwk s THR 33 Cb -0.11 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 1xwk s THR 33 CO 0.02 0.59 0.07 -0.32 -0.69 0.00 0.00 174.62 174.29 1xwk s MET 34 N -0.71 3.42 0.82 4.92 1.75 -1.26 -4.64 119.30 123.60 1xwk s MET 34 Ca 0.12 -0.28 -0.11 0.00 -1.25 0.00 0.00 55.69 54.17 1xwk s MET 34 Cb -0.12 -3.06 0.09 0.00 2.84 0.00 0.00 34.83 34.58 1xwk s MET 34 CO 0.02 0.62 1.09 0.20 -0.65 0.00 0.00 175.02 176.31 1xwk s GLY 35 N -0.62 1.65 0.94 2.11 0.00 -0.28 -4.89 107.32 106.25 1xwk s GLY 35 Ca 0.11 0.16 -0.12 0.00 0.00 0.00 0.00 44.72 44.87 1xwk s GLY 35 CO 0.02 0.56 1.11 0.99 0.00 0.00 0.00 173.10 175.78 1xwk s ASP 36 N -3.37 3.19 0.90 1.64 -0.00 -1.26 -3.89 116.67 113.88 1xwk s ASP 36 Ca 0.62 1.14 -0.10 0.00 -0.00 0.00 0.00 52.55 54.21 1xwk s ASP 36 Cb -0.18 -1.78 0.14 0.00 -0.00 0.00 0.00 42.92 41.11 1xwk s ASP 36 CO 0.56 -2.77 1.14 0.00 -0.00 0.00 0.00 175.17 174.11 1xwk s ALA 37 N -3.10 1.53 -1.00 5.23 0.00 -1.26 -2.07 121.76 121.09 1xwk s ALA 37 Ca 0.64 0.57 0.25 0.00 0.00 0.00 0.00 51.96 53.43 1xwk s ALA 37 Cb -0.17 -3.44 0.49 0.00 0.00 0.00 0.00 23.12 20.00 1xwk s ALA 37 CO 0.56 -2.70 1.40 -0.35 0.00 0.00 0.00 175.76 174.67 1xwk n PRO 38 N -4.19 0.00 -0.03 0.00 -0.04 -1.26 -4.78 135.00 124.69 1xwk n PRO 38 Ca 0.12 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.42 1xwk n PRO 38 Cb 0.52 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.40 1xwk n PRO 38 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xwk h ASP 39 N 0.00 0.74 -5.75 3.54 3.32 -1.92 -3.48 116.42 112.87 1xwk h ASP 39 Ca 0.00 -0.62 -0.36 0.00 0.02 0.00 0.00 57.03 56.07 1xwk h ASP 39 Cb 0.50 -0.22 0.15 0.00 0.22 0.00 0.00 39.33 39.98 1xwk h ASP 39 CO 0.00 1.24 -0.74 -1.22 -1.72 0.00 0.00 179.24 176.80 1xwk n TYR 40 N -4.14 -2.45 -1.62 4.55 4.01 -0.88 -4.81 117.16 111.82 1xwk n TYR 40 Ca -0.07 0.97 -0.62 0.00 -0.16 0.00 0.00 57.90 58.02 1xwk n TYR 40 Cb 0.64 -5.03 -0.09 0.00 -0.31 0.00 0.00 39.34 34.55 1xwk n TYR 40 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1xwk n ASP 41 N -3.08 1.59 -0.73 7.72 2.03 -1.26 -4.38 116.55 118.45 1xwk n ASP 41 Ca -0.17 0.99 0.10 0.00 0.52 0.00 0.00 54.79 56.24 1xwk n ASP 41 Cb 0.63 -1.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.09 1xwk n ASP 41 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1xwk n ARG 42 N 5.45 1.77 -0.50 -0.67 1.74 -1.26 -1.12 116.66 122.08 1xwk n ARG 42 Ca 0.35 -1.52 0.41 0.00 -0.77 0.00 0.00 57.85 56.32 1xwk n ARG 42 Cb 0.03 -1.40 0.69 0.00 -1.02 0.00 0.00 32.46 30.77 1xwk n ARG 42 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1xwk h SER 43 N 3.58 0.18 -0.57 0.55 4.64 -1.89 0.11 113.55 120.15 1xwk h SER 43 Ca 0.00 0.12 0.11 0.00 -0.47 0.00 0.00 61.79 61.55 1xwk h SER 43 Cb 0.82 0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.99 1xwk h SER 43 CO 0.00 -0.18 0.39 -0.61 -0.87 0.00 0.00 176.83 175.56 1xwk h GLN 44 N 0.04 0.28 0.06 4.77 4.15 -1.83 -0.31 115.11 122.25 1xwk h GLN 44 Ca 0.86 -0.02 -0.34 0.00 0.77 0.00 0.00 58.65 59.92 1xwk h GLN 44 Cb 2.88 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 30.47 1xwk h GLN 44 CO -0.36 0.18 -1.93 1.87 -1.93 0.00 0.00 178.83 176.66 1xwk n TRP 45 N -4.45 0.85 -0.25 3.99 -0.00 0.34 -4.35 117.44 113.57 1xwk n TRP 45 Ca 0.10 0.24 0.09 0.00 -0.00 0.00 0.00 57.50 57.93 1xwk n TRP 45 Cb 0.44 -1.10 0.34 0.00 -0.00 0.00 0.00 31.31 30.98 1xwk n TRP 45 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1xwk h LEU 46 N -0.37 0.72 -0.09 5.87 3.38 -1.05 0.70 115.31 124.47 1xwk h LEU 46 Ca -0.46 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1xwk h LEU 46 Cb 1.76 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.38 1xwk h LEU 46 CO -0.09 0.42 0.00 0.59 0.09 0.00 0.00 178.44 179.45 1xwk n ASN 47 N -4.52 0.09 -0.00 -0.43 3.02 -0.16 -2.97 115.26 110.28 1xwk n ASN 47 Ca 0.15 0.52 0.01 0.00 -0.03 0.00 0.00 54.58 55.22 1xwk n ASN 47 Cb 0.34 -0.54 -0.01 0.00 -0.61 0.00 0.00 39.78 38.96 1xwk n ASN 47 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1xwk n GLU 48 N -1.60 0.26 -0.33 3.52 1.02 0.17 -4.79 120.64 118.89 1xwk n GLU 48 Ca 0.04 -0.01 -0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1xwk n GLU 48 Cb 0.19 -1.04 0.05 0.00 -0.02 0.00 0.00 31.44 30.62 1xwk n GLU 48 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1xwk n LYS 49 N -1.58 -0.19 -0.18 3.49 4.81 0.22 -0.80 118.16 123.92 1xwk n LYS 49 Ca -0.00 1.35 0.11 0.00 -0.87 0.00 0.00 58.31 58.90 1xwk n LYS 49 Cb 0.07 -2.00 0.26 0.00 0.02 0.00 0.00 35.03 33.37 1xwk n LYS 49 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1xwk n PHE 50 N -5.31 0.48 0.63 5.64 3.01 -1.26 -4.17 117.46 116.48 1xwk n PHE 50 Ca 0.10 -0.24 0.11 0.00 1.01 0.00 0.00 57.45 58.43 1xwk n PHE 50 Cb 0.36 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.89 1xwk n PHE 50 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1xwk n LYS 51 N 1.21 0.25 0.02 -1.08 4.76 0.01 -4.37 118.16 118.96 1xwk n LYS 51 Ca 0.19 0.01 0.13 0.00 -2.87 0.00 0.00 58.31 55.77 1xwk n LYS 51 Cb 0.53 -1.59 0.54 0.00 -1.84 0.00 0.00 35.03 32.67 1xwk n LYS 51 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xwk n LEU 52 N -1.92 0.17 0.00 -0.35 4.77 -1.18 -4.92 117.00 113.58 1xwk n LEU 52 Ca 0.03 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1xwk n LEU 52 Cb 0.42 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1xwk n LEU 52 CO 0.39 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 1xwk n GLY 53 N 1.26 0.47 3.77 -0.72 0.00 -1.26 -5.04 105.19 103.67 1xwk n GLY 53 Ca 0.06 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 1xwk n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xwk s LEU 54 N 0.00 4.60 0.10 0.99 1.43 -1.26 -4.86 118.68 119.67 1xwk s LEU 54 Ca 0.00 1.67 -0.16 0.00 -1.03 0.00 0.00 54.13 54.60 1xwk s LEU 54 Cb 0.00 -3.32 -0.07 0.00 0.03 0.00 0.00 46.19 42.83 1xwk s LEU 54 CO 0.00 0.20 1.49 0.44 0.23 0.00 0.00 176.35 178.71 1xwk h ASP 55 N 4.35 0.60 -2.49 2.29 3.32 -1.96 -3.36 116.42 119.17 1xwk h ASP 55 Ca -0.47 -0.37 -0.60 0.00 0.02 0.00 0.00 57.03 55.62 1xwk h ASP 55 Cb 1.21 -0.16 -0.40 0.00 0.22 0.00 0.00 39.33 40.19 1xwk h ASP 55 CO 0.66 0.83 -0.82 0.49 -1.72 0.00 0.00 179.24 178.69 1xwk n PHE 56 N -4.46 1.16 -0.94 4.55 3.72 -1.26 -5.09 117.46 115.13 1xwk n PHE 56 Ca -0.03 -3.79 -0.40 0.00 -0.05 0.00 0.00 57.45 53.18 1xwk n PHE 56 Cb 0.33 -0.25 -0.07 0.00 -0.94 0.00 0.00 39.48 38.56 1xwk n PHE 56 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1xwk n PRO 57 N 1.99 0.00 -3.78 -1.08 -0.02 -1.26 -4.88 135.00 125.98 1xwk n PRO 57 Ca 0.25 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.70 1xwk n PRO 57 Cb 0.44 -0.93 -0.01 0.00 -0.02 0.00 0.00 33.50 32.98 1xwk n PRO 57 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1xwk s ASN 58 N 2.74 -0.16 -0.08 2.55 3.84 -1.26 -5.10 114.94 117.47 1xwk s ASN 58 Ca 0.70 -0.47 0.04 0.00 0.21 0.00 0.00 52.86 53.34 1xwk s ASN 58 Cb -0.93 0.52 0.00 0.00 -0.55 0.00 0.00 41.25 40.29 1xwk s ASN 58 CO 0.46 -0.97 -0.20 -0.76 -2.79 0.00 0.00 177.10 172.85 1xwk s LEU 59 N -2.99 1.94 0.58 3.21 1.43 -1.26 -3.71 118.68 117.88 1xwk s LEU 59 Ca 0.13 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 1xwk s LEU 59 Cb -0.02 -1.20 -0.05 0.00 0.03 0.00 0.00 46.19 44.95 1xwk s LEU 59 CO 0.03 0.12 1.01 -2.16 0.23 0.00 0.00 176.35 175.59 1xwk s PRO 60 N 0.40 3.71 0.03 1.29 0.04 -1.26 -4.95 135.00 134.25 1xwk s PRO 60 Ca -0.16 0.81 0.02 0.00 0.04 0.00 0.00 61.00 61.71 1xwk s PRO 60 Cb -0.17 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.25 1xwk s PRO 60 CO 0.07 -0.47 -0.08 1.52 0.04 0.00 0.00 177.00 178.08 1xwk s TYR 61 N -3.00 0.68 -0.03 0.56 -0.85 -1.01 -3.70 117.35 110.01 1xwk s TYR 61 Ca 0.56 -0.33 0.06 0.00 -0.52 0.00 0.00 57.07 56.83 1xwk s TYR 61 Cb -0.11 -0.42 -0.01 0.00 0.38 0.00 0.00 41.96 41.81 1xwk s TYR 61 CO 0.47 -0.04 -0.20 -1.17 -1.52 0.00 0.00 175.55 173.09 1xwk s LEU 62 N -1.00 2.00 -0.25 -3.49 2.96 0.69 -1.46 118.68 118.14 1xwk s LEU 62 Ca -0.04 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1xwk s LEU 62 Cb -0.07 -1.07 0.06 0.00 0.50 0.00 0.00 46.19 45.61 1xwk s LEU 62 CO 0.00 0.21 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.52 1xwk s ILE 63 N -0.24 2.02 -0.55 6.68 1.01 -0.12 -0.46 121.20 129.54 1xwk s ILE 63 Ca 0.02 -1.53 0.04 0.00 0.00 0.00 0.00 60.65 59.18 1xwk s ILE 63 Cb -0.10 -2.16 0.14 0.00 0.01 0.00 0.00 42.46 40.35 1xwk s ILE 63 CO 0.01 -0.03 0.31 -0.62 0.00 0.00 0.00 174.94 174.61 1xwk s ASP 64 N 1.17 4.46 1.87 3.58 2.15 -0.20 -1.44 116.67 128.26 1xwk s ASP 64 Ca -0.08 -3.11 0.00 0.00 0.43 0.00 0.00 52.55 49.79 1xwk s ASP 64 Cb -0.20 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.76 1xwk s ASP 64 CO -0.05 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.33 1xwk n GLY 65 N 2.99 3.16 0.24 2.66 0.00 -1.26 -1.93 105.19 111.05 1xwk n GLY 65 Ca 0.07 0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.39 1xwk n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwk h ALA 66 N -0.87 1.00 -2.36 4.61 0.00 -2.02 -3.44 119.26 116.18 1xwk h ALA 66 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 1xwk h ALA 66 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.68 1xwk h ALA 66 CO 0.00 0.00 0.23 -1.01 0.00 0.00 0.00 179.25 178.47 1xwk s HIS 67 N -3.39 3.22 -0.17 0.00 3.76 -0.81 -5.05 115.29 112.84 1xwk s HIS 67 Ca 0.05 0.69 -0.03 0.00 -0.15 0.00 0.00 55.06 55.62 1xwk s HIS 67 Cb 0.07 -3.04 -0.02 0.00 1.11 0.00 0.00 32.58 30.70 1xwk s HIS 67 CO 0.61 -0.48 -0.06 0.15 -0.85 0.00 0.00 174.74 174.11 1xwk s LYS 68 N 2.71 3.50 0.03 1.40 3.01 -1.26 -1.03 119.74 128.10 1xwk s LYS 68 Ca 0.28 -0.60 0.04 0.00 -1.01 0.00 0.00 55.97 54.68 1xwk s LYS 68 Cb -0.15 -2.89 -0.02 0.00 -1.01 0.00 0.00 37.83 33.76 1xwk s LYS 68 CO 0.11 0.07 -0.12 0.42 0.51 0.00 0.00 175.35 176.34 1xwk s ILE 69 N 0.78 0.95 0.46 2.17 1.01 0.39 -4.76 121.20 122.20 1xwk s ILE 69 Ca -0.02 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 59.74 1xwk s ILE 69 Cb -0.15 -0.88 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 1xwk s ILE 69 CO 0.02 -0.04 0.11 0.42 0.00 0.00 0.00 174.94 175.45 1xwk s THR 70 N -0.84 0.63 -0.07 2.92 -4.23 -1.26 -0.22 115.64 112.56 1xwk s THR 70 Ca -0.00 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.46 1xwk s THR 70 Cb -0.07 -2.20 0.02 0.00 1.34 0.00 0.00 72.50 71.59 1xwk s THR 70 CO 0.01 0.00 0.10 0.00 -0.54 0.00 0.00 174.62 174.19 1xwk n GLN 71 N -1.06 -1.94 -0.34 3.99 1.13 -1.24 -4.15 117.38 113.77 1xwk n GLN 71 Ca -0.10 1.75 0.00 0.00 -1.94 0.00 0.00 57.00 56.70 1xwk n GLN 71 Cb 0.65 -2.68 0.05 0.00 0.11 0.00 0.00 30.24 28.37 1xwk n GLN 71 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1xwk n SER 72 N 0.71 -0.54 0.20 1.08 3.41 -1.26 0.82 113.62 118.04 1xwk n SER 72 Ca -0.17 1.56 0.05 0.00 -0.26 0.00 0.00 58.87 60.04 1xwk n SER 72 Cb 0.27 -0.38 0.49 0.00 -0.26 0.00 0.00 64.21 64.33 1xwk n SER 72 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1xwk h ASN 73 N 0.00 0.04 -0.30 4.04 2.35 -1.96 0.26 115.58 120.02 1xwk h ASN 73 Ca 0.33 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 56.02 1xwk h ASN 73 Cb 0.55 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 1xwk h ASN 73 CO -0.89 0.21 -0.04 0.00 -1.65 0.00 0.00 177.43 175.06 1xwk h ALA 74 N 1.79 0.40 -0.57 -0.83 0.00 0.19 -2.35 119.26 117.90 1xwk h ALA 74 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1xwk h ALA 74 Cb 0.32 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1xwk h ALA 74 CO 0.02 0.19 0.36 0.82 0.00 0.00 0.00 179.25 180.65 1xwk h ILE 75 N 0.32 1.16 -0.11 0.00 2.04 0.17 -2.56 117.51 118.54 1xwk h ILE 75 Ca 0.08 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1xwk h ILE 75 Cb 0.50 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1xwk h ILE 75 CO 0.02 0.16 0.06 -0.07 0.00 0.00 0.00 178.15 178.32 1xwk h LEU 76 N 0.77 0.14 -1.08 1.44 3.38 -0.87 -2.61 115.31 116.47 1xwk h LEU 76 Ca 0.21 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1xwk h LEU 76 Cb -0.05 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1xwk h LEU 76 CO -0.04 0.18 0.36 0.00 0.09 0.00 0.00 178.44 179.03 1xwk h TYR 78 N 1.00 -0.99 0.50 0.00 3.20 -1.25 0.39 116.97 119.83 1xwk h TYR 78 Ca 0.25 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 1xwk h TYR 78 Cb 0.07 0.44 0.00 0.00 1.54 0.00 0.00 36.73 38.79 1xwk h TYR 78 CO 0.01 -0.44 -0.24 0.82 -1.64 0.00 0.00 178.16 176.67 1xwk h ILE 79 N -0.48 0.48 -0.88 1.81 2.04 -1.13 -3.13 117.51 116.22 1xwk h ILE 79 Ca 0.07 -0.18 0.18 0.00 1.00 0.00 0.00 64.86 65.93 1xwk h ILE 79 Cb 0.59 0.56 -0.11 0.00 -0.74 0.00 0.00 36.82 37.12 1xwk h ILE 79 CO -0.31 0.03 0.43 0.00 0.00 0.00 0.00 178.15 178.29 1xwk h ALA 80 N -0.34 1.37 -0.18 1.87 0.00 -0.37 -1.03 119.26 120.59 1xwk h ALA 80 Ca -0.07 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1xwk h ALA 80 Cb 0.57 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1xwk h ALA 80 CO 0.11 -0.21 0.14 0.00 0.00 0.00 0.00 179.25 179.29 1xwk h ARG 81 N 0.53 0.00 0.00 0.00 3.08 -0.16 0.73 114.38 118.56 1xwk h ARG 81 Ca 0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.56 1xwk h ARG 81 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1xwk h ARG 81 CO -0.44 0.00 0.00 0.87 -1.07 0.00 0.00 179.97 179.33 1xwk h LYS 82 N 0.00 0.00 0.00 0.04 1.57 -1.22 -3.26 116.57 113.70 1xwk h LYS 82 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1xwk h LYS 82 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1xwk h LYS 82 CO -0.00 0.00 -0.22 0.72 -0.57 0.00 0.00 179.45 179.38 1xwk n HIS 83 N -2.93 0.00 -3.72 -1.35 8.25 0.12 -5.02 115.22 110.56 1xwk n HIS 83 Ca 0.02 -0.71 -0.23 0.00 -0.26 0.00 0.00 57.72 56.53 1xwk n HIS 83 Cb 0.34 -0.13 0.03 0.00 1.12 0.00 0.00 29.99 31.35 1xwk n HIS 83 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1xwk n ASN 84 N -0.91 -1.93 -0.11 0.41 4.13 -0.42 -4.89 115.26 111.54 1xwk n ASN 84 Ca 0.11 -0.88 0.08 0.00 1.68 0.00 0.00 54.58 55.57 1xwk n ASN 84 Cb 0.68 -3.82 0.11 0.00 -1.54 0.00 0.00 39.78 35.21 1xwk n ASN 84 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1xwk n LEU 85 N -4.22 2.00 -1.28 3.41 4.77 -0.81 -4.61 117.00 116.26 1xwk n LEU 85 Ca -0.26 -2.69 0.10 0.00 -0.03 0.00 0.00 56.01 53.13 1xwk n LEU 85 Cb 0.66 -0.33 0.30 0.00 -2.33 0.00 0.00 43.42 41.73 1xwk n LEU 85 CO 0.69 0.62 0.76 0.00 -1.33 0.00 0.00 177.39 178.13 1xwk n GLY 87 N 1.35 1.88 1.59 0.00 0.00 -1.26 -4.84 105.19 103.91 1xwk n GLY 87 Ca 0.23 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1xwk n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xwk n GLU 88 N 1.77 0.00 -1.46 1.61 1.02 -1.26 -4.93 120.64 117.38 1xwk n GLU 88 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 1xwk n GLU 88 Cb 0.00 -0.21 0.15 0.00 -0.02 0.00 0.00 31.44 31.35 1xwk n GLU 88 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1xwk s THR 89 N -2.00 1.98 0.04 2.62 -4.23 -1.26 -4.88 115.64 107.91 1xwk s THR 89 Ca 0.00 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.21 1xwk s THR 89 Cb 0.00 -2.70 -0.17 0.00 1.34 0.00 0.00 72.50 70.97 1xwk s THR 89 CO 0.00 0.00 1.38 -0.08 -0.54 0.00 0.00 174.62 175.38 1xwk h GLU 90 N -1.63 -0.81 -0.62 3.99 4.57 -2.00 -2.29 114.58 115.79 1xwk h GLU 90 Ca -0.51 0.06 0.11 0.00 -1.18 0.00 0.00 59.36 57.83 1xwk h GLU 90 Cb 1.33 0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 30.06 1xwk h GLU 90 CO 0.59 -0.50 0.42 0.93 -1.18 0.00 0.00 179.01 179.27 1xwk h GLU 91 N -1.01 0.39 -0.06 1.92 4.39 -1.97 -1.55 114.58 116.68 1xwk h GLU 91 Ca -0.09 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1xwk h GLU 91 Cb 0.69 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1xwk h GLU 91 CO 0.14 0.26 0.03 0.93 -1.16 0.00 0.00 179.01 179.21 1xwk h GLU 92 N 0.40 0.08 -0.73 2.33 5.08 -1.76 -1.93 114.58 118.05 1xwk h GLU 92 Ca 0.29 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.70 1xwk h GLU 92 Cb 0.60 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1xwk h GLU 92 CO -0.08 0.13 0.48 0.87 -1.00 0.00 0.00 179.01 179.41 1xwk h LYS 93 N 0.01 0.77 -0.19 2.33 1.57 -0.72 -0.03 116.57 120.32 1xwk h LYS 93 Ca 0.02 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1xwk h LYS 93 Cb 0.07 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1xwk h LYS 93 CO -0.00 0.51 -0.03 0.82 -0.57 0.00 0.00 179.45 180.18 1xwk h ILE 94 N 0.80 1.28 -0.79 1.86 2.04 -1.10 0.29 117.51 121.88 1xwk h ILE 94 Ca 0.31 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 1xwk h ILE 94 Cb 0.21 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 1xwk h ILE 94 CO -0.10 0.29 0.44 0.03 0.00 0.00 0.00 178.15 178.81 1xwk h ARG 95 N 0.08 1.09 0.13 2.37 3.08 -0.70 0.64 114.38 121.08 1xwk h ARG 95 Ca 0.05 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1xwk h ARG 95 Cb 0.45 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1xwk h ARG 95 CO 0.02 0.80 -0.06 0.28 -1.07 0.00 0.00 179.97 179.93 1xwk h VAL 96 N 1.09 0.87 -0.24 2.04 2.07 -0.87 -0.28 116.25 120.94 1xwk h VAL 96 Ca 0.28 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.82 1xwk h VAL 96 Cb 0.02 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1xwk h VAL 96 CO -0.05 0.00 0.03 0.44 0.02 0.00 0.00 177.57 178.02 1xwk h ASP 97 N -0.19 -0.02 -0.08 0.57 3.32 -0.43 0.54 116.42 120.14 1xwk h ASP 97 Ca -0.02 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1xwk h ASP 97 Cb 0.14 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1xwk h ASP 97 CO 0.03 0.02 0.05 0.40 -1.72 0.00 0.00 179.24 178.02 1xwk h ILE 98 N 0.12 1.05 -0.05 0.35 2.04 -0.75 -2.89 117.51 117.37 1xwk h ILE 98 Ca 0.11 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1xwk h ILE 98 Cb 0.12 0.99 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1xwk h ILE 98 CO -0.16 0.04 0.02 -0.07 0.00 0.00 0.00 178.15 177.99 1xwk h LEU 99 N 0.07 0.07 -0.97 1.44 3.38 -0.75 0.27 115.31 118.83 1xwk h LEU 99 Ca 0.03 -0.13 0.22 0.00 0.09 0.00 0.00 57.88 58.09 1xwk h LEU 99 Cb 0.03 -0.02 -0.18 0.00 0.09 0.00 0.00 40.66 40.58 1xwk h LEU 99 CO -0.01 0.18 -0.14 1.21 0.09 0.00 0.00 178.44 179.78 1xwk n GLU 100 N -4.98 -0.08 0.02 1.13 2.13 0.19 -0.87 120.64 118.17 1xwk n GLU 100 Ca -0.06 1.49 -0.11 0.00 0.66 0.00 0.00 57.16 59.13 1xwk n GLU 100 Cb 0.09 -2.27 -0.14 0.00 0.27 0.00 0.00 31.44 29.39 1xwk n GLU 100 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1xwk h ASN 101 N 0.00 0.12 0.24 4.31 2.35 -1.32 -3.30 115.58 117.98 1xwk h ASN 101 Ca 0.51 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 56.05 1xwk h ASN 101 Cb 0.91 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.24 1xwk h ASN 101 CO -0.96 1.17 -0.11 -0.61 -1.65 0.00 0.00 177.43 175.27 1xwk h GLN 102 N 0.02 -0.31 -0.60 0.81 5.75 0.14 -1.82 115.11 119.10 1xwk h GLN 102 Ca -0.23 0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.36 1xwk h GLN 102 Cb 1.97 0.07 -0.06 0.00 1.07 0.00 0.00 27.48 30.53 1xwk h GLN 102 CO 0.11 -0.15 0.28 1.79 -2.65 0.00 0.00 178.83 178.21 1xwk h THR 103 N -0.40 0.88 -1.01 2.39 1.35 -1.17 -0.36 112.91 114.59 1xwk h THR 103 Ca -0.03 -0.18 0.09 0.00 -0.55 0.00 0.00 66.41 65.74 1xwk h THR 103 Cb 0.30 0.32 -0.08 0.00 -1.73 0.00 0.00 68.15 66.97 1xwk h THR 103 CO 0.05 0.09 0.64 -0.03 -0.25 0.00 0.00 175.52 176.03 1xwk h MET 104 N 0.51 1.06 0.73 4.72 1.85 -1.60 0.32 114.93 122.52 1xwk h MET 104 Ca 0.28 -0.06 -0.04 0.00 -0.61 0.00 0.00 59.70 59.27 1xwk h MET 104 Cb 0.26 -0.24 0.01 0.00 0.43 0.00 0.00 31.60 32.06 1xwk h MET 104 CO -0.23 0.70 -0.35 -0.44 -0.40 0.00 0.00 176.91 176.19 1xwk h ASP 105 N 1.09 -0.83 -0.97 1.39 5.19 -0.23 -1.35 116.42 120.72 1xwk h ASP 105 Ca 0.46 0.03 0.21 0.00 -0.62 0.00 0.00 57.03 57.12 1xwk h ASP 105 Cb 0.32 0.22 -0.08 0.00 0.18 0.00 0.00 39.33 39.96 1xwk h ASP 105 CO -0.22 -0.52 0.62 0.78 -3.12 0.00 0.00 179.24 176.78 1xwk h ASN 106 N -1.13 0.52 0.50 6.45 -0.26 -0.90 -1.17 115.58 119.61 1xwk h ASN 106 Ca -0.10 0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.68 1xwk h ASN 106 Cb 0.75 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.99 1xwk h ASN 106 CO 0.16 0.18 -0.24 -0.74 -1.06 0.00 0.00 177.43 175.74 1xwk h HIS 107 N 0.51 -0.62 -0.66 1.19 2.76 -0.22 -2.81 115.15 115.30 1xwk h HIS 107 Ca 0.53 -0.01 0.15 0.00 -2.20 0.00 0.00 60.37 58.84 1xwk h HIS 107 Cb 1.17 0.20 -0.04 0.00 1.55 0.00 0.00 27.41 30.30 1xwk h HIS 107 CO -0.00 -0.30 0.46 0.52 -1.30 0.00 0.00 177.93 177.31 1xwk h MET 108 N -0.92 0.21 0.16 5.26 2.86 -0.41 0.39 114.93 122.49 1xwk h MET 108 Ca -0.07 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1xwk h MET 108 Cb 0.60 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1xwk h MET 108 CO 0.11 0.14 -0.08 1.96 1.06 0.00 0.00 176.91 180.11 1xwk h GLN 109 N 0.22 -0.21 -0.09 1.72 4.20 -1.10 0.66 115.11 120.51 1xwk h GLN 109 Ca 0.32 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 59.04 1xwk h GLN 109 Cb 0.95 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 1xwk h GLN 109 CO -0.06 -0.13 0.05 1.25 -0.67 0.00 0.00 178.83 179.26 1xwk h LEU 110 N -0.23 0.12 -0.43 1.46 5.85 -1.08 -2.79 115.31 118.21 1xwk h LEU 110 Ca -0.02 -0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.69 1xwk h LEU 110 Cb 0.17 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.09 1xwk h LEU 110 CO 0.04 0.18 -0.14 1.23 -0.34 0.00 0.00 178.44 179.41 1xwk h GLY 111 N 0.05 0.25 0.16 3.75 0.00 -0.60 -0.66 103.07 106.02 1xwk h GLY 111 Ca 0.03 0.18 0.09 0.00 0.00 0.00 0.00 47.33 47.64 1xwk h GLY 111 CO -0.00 -0.18 -0.04 -0.33 0.00 0.00 0.00 176.54 175.99 1xwk h MET 112 N -0.04 0.07 0.02 4.80 2.86 0.59 -1.81 114.93 121.43 1xwk h MET 112 Ca 0.21 -0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.62 1xwk h MET 112 Cb 0.36 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1xwk h MET 112 CO -0.47 0.05 -0.97 -0.84 1.06 0.00 0.00 176.91 175.74 1xwk h ILE 113 N 0.08 1.46 0.00 -1.22 3.07 -1.32 -2.46 117.51 117.11 1xwk h ILE 113 Ca 0.24 -2.63 0.00 0.00 1.55 0.00 0.00 64.86 64.02 1xwk h ILE 113 Cb 0.36 2.53 0.00 0.00 -0.27 0.00 0.00 36.82 39.44 1xwk h ILE 113 CO -0.43 0.77 0.00 0.00 -1.05 0.00 0.00 178.15 177.44 1xwk n TYR 115 N -2.44 0.00 -2.70 0.00 4.01 -0.71 -0.02 117.16 115.30 1xwk n TYR 115 Ca 0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.33 1xwk n TYR 115 Cb 0.21 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.21 1xwk n TYR 115 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1xwk s ASN 116 N -2.72 7.27 0.30 7.72 3.84 -0.71 -4.71 114.94 125.92 1xwk s ASN 116 Ca 0.08 1.55 0.05 0.00 0.21 0.00 0.00 52.86 54.74 1xwk s ASN 116 Cb 0.14 -2.56 0.71 0.00 -0.55 0.00 0.00 41.25 38.99 1xwk s ASN 116 CO 0.75 -0.41 1.77 -0.65 -2.79 0.00 0.00 177.10 175.77 1xwk h PRO 117 N 7.04 0.70 -0.98 0.43 0.11 -1.92 0.13 132.00 137.51 1xwk h PRO 117 Ca -0.33 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.70 1xwk h PRO 117 Cb 1.16 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1xwk h PRO 117 CO 0.83 0.47 0.05 0.39 -0.21 0.00 0.00 178.00 179.53 1xwk n GLU 118 N -4.80 1.28 -0.32 1.05 -0.58 -1.26 -4.46 120.64 111.56 1xwk n GLU 118 Ca 0.22 -0.38 0.16 0.00 -0.42 0.00 0.00 57.16 56.74 1xwk n GLU 118 Cb 0.55 -1.32 0.32 0.00 -0.57 0.00 0.00 31.44 30.43 1xwk n GLU 118 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1xwk h PHE 119 N 0.27 0.24 -0.85 -0.32 3.57 -0.94 0.99 116.94 119.91 1xwk h PHE 119 Ca 0.05 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.68 1xwk h PHE 119 Cb 1.03 0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.75 1xwk h PHE 119 CO 0.18 -0.33 0.51 1.49 -2.23 0.00 0.00 178.31 177.93 1xwk h GLU 120 N 0.10 0.89 -0.12 1.11 4.57 -1.85 -0.41 114.58 118.87 1xwk h GLU 120 Ca 0.60 -0.05 -0.23 0.00 -1.18 0.00 0.00 59.36 58.50 1xwk h GLU 120 Cb 1.29 -0.20 0.01 0.00 -0.16 0.00 0.00 28.75 29.69 1xwk h GLU 120 CO -0.77 0.59 -0.82 -0.22 -1.18 0.00 0.00 179.01 176.61 1xwk h LYS 121 N 0.92 0.74 0.00 1.92 3.64 -1.19 -3.30 116.57 119.31 1xwk h LYS 121 Ca 0.38 -0.64 -0.12 0.00 -1.27 0.00 0.00 60.65 59.00 1xwk h LYS 121 Cb 0.22 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1xwk h LYS 121 CO -0.19 1.24 -0.58 -0.07 -2.27 0.00 0.00 179.45 177.58 1xwk h LEU 122 N 0.49 0.00 -0.67 5.20 4.07 -1.19 -3.34 115.31 119.87 1xwk h LEU 122 Ca -0.06 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.04 1xwk h LEU 122 Cb 1.45 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 43.07 1xwk h LEU 122 CO 0.16 0.58 -0.03 0.50 -1.08 0.00 0.00 178.44 178.58 1xwk h LYS 123 N 0.00 0.08 -0.51 1.13 3.64 -1.16 -2.92 116.57 116.84 1xwk h LYS 123 Ca -0.01 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.47 1xwk h LYS 123 Cb 1.10 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.80 1xwk h LYS 123 CO 0.08 0.06 -0.28 -1.35 -2.27 0.00 0.00 179.45 175.68 1xwk h PRO 124 N 0.09 -0.16 -0.10 1.90 0.11 -1.77 -1.81 132.00 130.26 1xwk h PRO 124 Ca 0.35 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.46 1xwk h PRO 124 Cb 0.59 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.73 1xwk h PRO 124 CO -0.61 -0.10 0.02 -0.22 -0.21 0.00 0.00 178.00 176.87 1xwk h LYS 125 N -0.16 0.17 -0.64 1.05 3.64 -1.78 -2.65 116.57 116.19 1xwk h LYS 125 Ca 0.22 -0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.69 1xwk h LYS 125 Cb 0.52 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.22 1xwk h LYS 125 CO -0.61 0.37 0.08 -0.92 -2.27 0.00 0.00 179.45 176.11 1xwk h TYR 126 N -0.07 0.10 -0.66 1.91 3.20 -1.30 -1.47 116.97 118.69 1xwk h TYR 126 Ca 0.03 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 1xwk h TYR 126 Cb 0.29 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 1xwk h TYR 126 CO 0.02 -0.11 0.17 -0.07 -1.64 0.00 0.00 178.16 176.52 1xwk h LEU 127 N 0.19 1.00 -1.87 2.82 3.38 -1.33 -1.66 115.31 117.84 1xwk h LEU 127 Ca 0.34 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1xwk h LEU 127 Cb 0.55 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1xwk h LEU 127 CO -0.49 0.97 0.16 -0.08 0.09 0.00 0.00 178.44 179.09 1xwk h GLU 128 N 0.98 0.16 0.05 1.13 4.81 -0.92 -2.98 114.58 117.81 1xwk h GLU 128 Ca 0.21 -0.01 -0.31 0.00 -0.13 0.00 0.00 59.36 59.12 1xwk h GLU 128 Cb 0.36 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.67 1xwk h GLU 128 CO 0.00 0.10 -1.73 0.93 -0.73 0.00 0.00 179.01 177.59 1xwk h GLU 129 N 0.16 0.11 -0.98 1.92 5.08 -1.06 -3.41 114.58 116.40 1xwk h GLU 129 Ca 0.10 -0.19 0.23 0.00 -1.00 0.00 0.00 59.36 58.49 1xwk h GLU 129 Cb 0.20 0.07 -0.19 0.00 0.50 0.00 0.00 28.75 29.34 1xwk h GLU 129 CO -0.02 0.82 -0.13 1.25 -1.00 0.00 0.00 179.01 179.93 1xwk h LEU 130 N 0.03 -0.73 -0.75 1.33 5.85 -1.15 -2.07 115.31 117.82 1xwk h LEU 130 Ca -0.30 0.29 0.16 0.00 0.84 0.00 0.00 57.88 58.86 1xwk h LEU 130 Cb 2.01 0.56 -0.14 0.00 0.37 0.00 0.00 40.66 43.46 1xwk h LEU 130 CO 0.10 -0.34 -0.11 -0.65 -0.34 0.00 0.00 178.44 177.10 1xwk h PRO 131 N 0.00 0.04 -0.84 5.25 0.11 -1.79 0.14 132.00 134.90 1xwk h PRO 131 Ca 0.53 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.63 1xwk h PRO 131 Cb 0.93 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.00 1xwk h PRO 131 CO -0.97 0.02 0.51 1.49 -0.21 0.00 0.00 178.00 178.84 1xwk h GLU 132 N 0.04 1.13 0.50 1.05 4.81 -1.69 -0.28 114.58 120.14 1xwk h GLU 132 Ca 0.38 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1xwk h GLU 132 Cb 0.63 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1xwk h GLU 132 CO -0.73 0.79 -0.28 0.87 -0.73 0.00 0.00 179.01 178.93 1xwk h LYS 133 N 1.15 -0.70 -0.66 1.92 1.57 -0.78 -2.20 116.57 116.87 1xwk h LYS 133 Ca 0.30 0.05 0.08 0.00 -1.87 0.00 0.00 60.65 59.21 1xwk h LYS 133 Cb -0.06 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 1xwk h LYS 133 CO -0.06 -0.47 0.34 -0.07 -0.57 0.00 0.00 179.45 178.62 1xwk h LEU 134 N -0.73 0.46 -0.71 2.94 4.07 -1.02 -1.97 115.31 118.35 1xwk h LEU 134 Ca -0.06 0.05 0.14 0.00 0.08 0.00 0.00 57.88 58.09 1xwk h LEU 134 Cb 0.58 -0.03 -0.10 0.00 1.08 0.00 0.00 40.66 42.19 1xwk h LEU 134 CO 0.08 0.28 0.21 0.50 -1.08 0.00 0.00 178.44 178.43 1xwk h LYS 135 N 0.60 0.32 -0.92 1.13 3.64 -0.77 0.87 116.57 121.44 1xwk h LYS 135 Ca 0.31 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.75 1xwk h LYS 135 Cb 0.28 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.96 1xwk h LYS 135 CO -0.23 0.21 0.57 -0.07 -2.27 0.00 0.00 179.45 177.66 1xwk h LEU 136 N 0.33 0.89 -0.40 5.20 3.38 -0.73 0.78 115.31 124.75 1xwk h LEU 136 Ca 0.39 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.27 1xwk h LEU 136 Cb 0.61 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1xwk h LEU 136 CO -0.44 0.55 -0.17 1.88 0.09 0.00 0.00 178.44 180.35 1xwk h TYR 137 N 1.01 0.94 0.35 1.13 0.05 -0.87 0.24 116.97 119.82 1xwk h TYR 137 Ca 0.41 -0.23 -0.01 0.00 0.05 0.00 0.00 58.73 58.96 1xwk h TYR 137 Cb 0.24 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1xwk h TYR 137 CO -0.02 0.98 -0.26 1.03 -1.05 0.00 0.00 178.16 178.84 1xwk h SER 138 N 0.63 -0.67 -0.51 3.88 0.87 0.77 0.12 113.55 118.64 1xwk h SER 138 Ca 0.09 0.05 0.05 0.00 -1.23 0.00 0.00 61.79 60.75 1xwk h SER 138 Cb 0.72 0.21 -0.05 0.00 -0.44 0.00 0.00 62.40 62.84 1xwk h SER 138 CO 0.05 -0.39 0.24 -0.33 -0.53 0.00 0.00 176.83 175.88 1xwk h GLU 139 N -0.60 0.46 0.10 2.24 4.39 0.60 0.12 114.58 121.89 1xwk h GLU 139 Ca -0.03 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.65 1xwk h GLU 139 Cb 0.52 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1xwk h GLU 139 CO -0.00 0.31 -0.12 0.35 -1.16 0.00 0.00 179.01 178.38 1xwk h PHE 140 N 0.48 -0.32 0.18 4.33 3.57 -0.20 -3.10 116.94 121.88 1xwk h PHE 140 Ca 0.23 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1xwk h PHE 140 Cb 0.16 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1xwk h PHE 140 CO -0.11 -0.19 -0.09 1.25 -2.23 0.00 0.00 178.31 176.94 1xwk h LEU 141 N -0.26 -0.20 0.00 0.59 5.85 -0.45 -3.47 115.31 117.36 1xwk h LEU 141 Ca 0.01 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1xwk h LEU 141 Cb 0.26 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1xwk h LEU 141 CO -0.05 0.03 0.00 0.61 -0.34 0.00 0.00 178.44 178.69 1xwk n GLY 142 N -0.66 3.79 1.64 3.75 0.00 0.40 -2.20 105.19 111.91 1xwk n GLY 142 Ca -0.09 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1xwk n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xwk n LYS 143 N 13.70 4.14 -2.99 1.61 4.76 -1.26 -4.91 118.16 133.21 1xwk n LYS 143 Ca 0.00 -2.99 -0.36 0.00 -2.87 0.00 0.00 58.31 52.09 1xwk n LYS 143 Cb 0.00 -2.03 -0.06 0.00 -1.84 0.00 0.00 35.03 31.10 1xwk n LYS 143 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1xwk s ARG 144 N -2.27 4.34 0.28 1.97 0.52 -0.93 -4.96 118.95 117.89 1xwk s ARG 144 Ca 0.51 1.01 0.06 0.00 -0.52 0.00 0.00 55.73 56.80 1xwk s ARG 144 Cb 0.36 -2.78 0.40 0.00 0.52 0.00 0.00 34.95 33.45 1xwk s ARG 144 CO 0.20 0.32 1.66 -1.00 0.02 0.00 0.00 175.30 176.50 1xwk h PRO 145 N 3.18 0.21 -4.67 3.54 0.13 -1.90 -3.45 132.00 129.04 1xwk h PRO 145 Ca -0.48 -0.11 -0.24 0.00 -0.87 0.00 0.00 66.00 64.30 1xwk h PRO 145 Cb 1.19 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 1xwk h PRO 145 CO 0.65 0.65 -0.71 -1.58 -0.23 0.00 0.00 178.00 176.78 1xwk s TRP 146 N -4.00 0.87 0.31 1.56 0.52 -0.95 -4.96 118.94 112.30 1xwk s TRP 146 Ca -0.04 -0.82 -0.00 0.00 0.02 0.00 0.00 56.10 55.25 1xwk s TRP 146 Cb 0.13 -0.50 0.50 0.00 -1.15 0.00 0.00 33.47 32.44 1xwk s TRP 146 CO 0.78 -0.12 1.95 0.74 0.02 0.00 0.00 176.95 180.32 1xwk h PHE 147 N 3.26 0.92 0.00 -1.98 -1.00 -1.87 -2.64 116.94 113.63 1xwk h PHE 147 Ca -0.36 -0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.28 1xwk h PHE 147 Cb 1.17 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 40.41 1xwk h PHE 147 CO 0.60 0.62 -0.68 0.00 -1.61 0.00 0.00 178.31 177.24 1xwk h ALA 148 N 1.49 0.73 0.00 2.45 0.00 -1.92 -3.48 119.26 118.54 1xwk h ALA 148 Ca 0.25 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1xwk h ALA 148 Cb -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xwk h ALA 148 CO -0.05 0.85 0.00 0.41 0.00 0.00 0.00 179.25 180.46 1xwk n GLY 149 N 0.75 -0.39 0.17 0.00 0.00 -1.00 -4.56 105.19 100.16 1xwk n GLY 149 Ca -0.00 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1xwk n GLY 149 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xwk h ASN 150 N 0.00 0.00 -3.48 1.61 -0.26 -1.96 -2.52 115.58 108.97 1xwk h ASN 150 Ca 0.00 -0.02 -0.68 0.00 -0.56 0.00 0.00 56.30 55.05 1xwk h ASN 150 Cb 0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 38.32 37.10 1xwk h ASN 150 CO 0.00 0.01 -0.66 -0.54 -1.06 0.00 0.00 177.43 175.17 1xwk s LYS 151 N -3.23 2.77 0.38 0.81 1.02 -1.26 -4.80 119.74 115.43 1xwk s LYS 151 Ca 0.06 -0.57 -0.25 0.00 0.02 0.00 0.00 55.97 55.22 1xwk s LYS 151 Cb 0.08 -2.64 -0.09 0.00 -0.52 0.00 0.00 37.83 34.65 1xwk s LYS 151 CO 0.69 0.65 1.07 -1.50 -0.92 0.00 0.00 175.35 175.34 1xwk s ILE 152 N -0.95 3.64 0.26 2.17 2.07 -1.26 -4.47 121.20 122.65 1xwk s ILE 152 Ca 0.16 1.32 0.02 0.00 -1.41 0.00 0.00 60.65 60.74 1xwk s ILE 152 Cb -0.11 -3.72 -0.04 0.00 0.13 0.00 0.00 42.46 38.72 1xwk s ILE 152 CO 0.06 0.07 0.18 0.42 -1.91 0.00 0.00 174.94 173.76 1xwk s THR 153 N -1.56 0.08 0.58 4.00 -4.23 -1.26 -4.78 115.64 108.47 1xwk s THR 153 Ca 0.56 -2.00 0.35 0.00 -1.18 0.00 0.00 61.69 59.42 1xwk s THR 153 Cb -0.24 -2.51 0.38 0.00 1.34 0.00 0.00 72.50 71.47 1xwk s THR 153 CO 0.31 0.00 2.27 2.19 -0.54 0.00 0.00 174.62 178.84 1xwk h PHE 154 N 2.40 0.00 0.00 3.99 -5.15 -1.58 -1.73 116.94 114.87 1xwk h PHE 154 Ca -0.32 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.40 1xwk h PHE 154 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.41 1xwk h PHE 154 CO 0.87 0.02 -0.21 -0.39 -2.00 0.00 0.00 178.31 176.60 1xwk h VAL 155 N 0.00 0.92 -0.58 0.88 -1.51 -1.94 -1.92 116.25 112.10 1xwk h VAL 155 Ca -0.00 -0.77 0.03 0.00 -1.23 0.00 0.00 66.70 64.73 1xwk h VAL 155 Cb 0.06 1.44 -0.03 0.00 -2.13 0.00 0.00 31.29 30.63 1xwk h VAL 155 CO 0.00 0.20 0.38 0.44 -1.23 0.00 0.00 177.57 177.37 1xwk h ASP 156 N 0.00 0.58 0.00 4.19 3.32 -1.73 0.14 116.42 122.93 1xwk h ASP 156 Ca -0.00 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 1xwk h ASP 156 Cb 0.43 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1xwk h ASP 156 CO 0.03 0.40 -0.49 -0.26 -1.72 0.00 0.00 179.24 177.19 1xwk h PHE 157 N 0.67 0.68 -0.25 4.55 -1.00 -1.50 -0.21 116.94 119.89 1xwk h PHE 157 Ca 0.23 -0.22 -0.07 0.00 2.81 0.00 0.00 57.97 60.72 1xwk h PHE 157 Cb 0.09 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.51 1xwk h PHE 157 CO -0.00 0.94 -0.12 -0.07 -1.61 0.00 0.00 178.31 177.45 1xwk h LEU 158 N 0.44 0.53 -0.22 1.54 3.38 -0.96 -2.17 115.31 117.86 1xwk h LEU 158 Ca 0.02 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1xwk h LEU 158 Cb 1.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1xwk h LEU 158 CO 0.09 0.82 0.12 0.58 0.09 0.00 0.00 178.44 180.14 1xwk h VAL 159 N 0.24 1.12 0.06 1.22 2.07 -0.72 -2.22 116.25 118.02 1xwk h VAL 159 Ca 0.06 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1xwk h VAL 159 Cb 0.62 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1xwk h VAL 159 CO 0.04 0.11 -0.48 0.22 0.02 0.00 0.00 177.57 177.48 1xwk h TYR 160 N 0.24 -1.37 -0.78 1.57 5.03 -1.00 0.23 116.97 120.89 1xwk h TYR 160 Ca 0.08 0.04 0.18 0.00 2.58 0.00 0.00 58.73 61.61 1xwk h TYR 160 Cb 0.08 0.59 -0.12 0.00 1.55 0.00 0.00 36.73 38.83 1xwk h TYR 160 CO -0.03 -0.55 0.17 0.22 -1.32 0.00 0.00 178.16 176.65 1xwk h ASP 161 N -0.67 -0.03 0.02 -2.11 3.58 -1.32 0.73 116.42 116.61 1xwk h ASP 161 Ca 0.02 0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1xwk h ASP 161 Cb 0.71 0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1xwk h ASP 161 CO -0.30 -0.08 -0.01 0.58 -2.88 0.00 0.00 179.24 176.55 1xwk h VAL 162 N 0.24 1.12 0.06 2.25 2.07 -0.59 0.53 116.25 121.92 1xwk h VAL 162 Ca 0.45 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1xwk h VAL 162 Cb 0.81 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1xwk h VAL 162 CO -0.56 0.10 -0.05 -0.07 0.02 0.00 0.00 177.57 177.01 1xwk h LEU 163 N -0.19 -0.13 -0.18 2.57 3.38 0.92 -2.62 115.31 119.06 1xwk h LEU 163 Ca -0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1xwk h LEU 163 Cb 0.18 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1xwk h LEU 163 CO 0.00 -0.08 -0.12 -0.78 0.09 0.00 0.00 178.44 177.56 1xwk h ASP 164 N -0.12 -0.38 -0.72 -0.43 3.58 0.50 -0.58 116.42 118.26 1xwk h ASP 164 Ca 0.00 0.08 0.20 0.00 0.42 0.00 0.00 57.03 57.74 1xwk h ASP 164 Cb 0.11 0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 1xwk h ASP 164 CO -0.01 -0.15 0.52 -0.07 -2.88 0.00 0.00 179.24 176.64 1xwk h LEU 165 N -0.11 0.05 0.00 2.28 3.38 -0.78 -0.88 115.31 119.25 1xwk h LEU 165 Ca 0.11 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 1xwk h LEU 165 Cb 0.27 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1xwk h LEU 165 CO -0.25 0.02 -0.99 0.45 0.09 0.00 0.00 178.44 177.76 1xwk h HIS 166 N 0.05 0.00 0.00 1.13 3.86 -0.75 -1.88 115.15 117.57 1xwk h HIS 166 Ca 0.35 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.47 1xwk h HIS 166 Cb 1.31 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.77 1xwk h HIS 166 CO -0.00 0.79 -0.42 0.07 0.86 0.00 0.00 177.93 179.24 1xwk h ARG 167 N 0.00 0.00 -0.08 2.45 0.11 -0.47 0.53 114.38 116.92 1xwk h ARG 167 Ca -0.06 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.82 1xwk h ARG 167 Cb 1.66 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.75 1xwk h ARG 167 CO 0.09 0.42 -0.71 0.82 0.10 0.00 0.00 179.97 180.69 1xwk h ILE 168 N 0.00 1.33 -0.29 0.08 2.04 -1.41 -0.49 117.51 118.77 1xwk h ILE 168 Ca -0.00 -2.00 -0.15 0.00 1.00 0.00 0.00 64.86 63.71 1xwk h ILE 168 Cb 0.87 2.24 -0.00 0.00 -0.74 0.00 0.00 36.82 39.19 1xwk h ILE 168 CO 0.05 0.61 -0.40 0.15 0.00 0.00 0.00 178.15 178.57 1xwk h PHE 169 N 0.26 0.96 -1.69 1.37 3.57 -0.88 -3.41 116.94 117.12 1xwk h PHE 169 Ca -0.07 -0.32 -0.21 0.00 3.53 0.00 0.00 57.97 60.91 1xwk h PHE 169 Cb 1.36 -0.19 -0.28 0.00 2.79 0.00 0.00 35.95 39.63 1xwk h PHE 169 CO 0.11 1.11 -0.55 -2.00 -2.23 0.00 0.00 178.31 174.74 1xwk s GLU 170 N -4.24 0.48 0.31 1.11 2.56 0.18 -5.06 118.70 114.04 1xwk s GLU 170 Ca -0.12 -0.07 0.07 0.00 0.00 0.00 0.00 54.97 54.86 1xwk s GLU 170 Cb 0.09 -0.34 0.79 0.00 2.00 0.00 0.00 34.13 36.67 1xwk s GLU 170 CO 0.86 -1.08 1.77 -1.35 -0.56 0.00 0.00 175.26 174.91 1xwk h PRO 171 N 7.89 0.69 0.00 4.30 0.11 -1.23 -2.07 132.00 141.68 1xwk h PRO 171 Ca -0.05 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1xwk h PRO 171 Cb 1.11 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1xwk h PRO 171 CO 0.24 0.46 0.00 1.63 -0.21 0.00 0.00 178.00 180.12 1xwk n LYS 172 N -4.76 0.01 -0.18 1.05 5.02 -1.26 -4.21 118.16 113.83 1xwk n LYS 172 Ca 0.24 0.07 -0.02 0.00 -2.02 0.00 0.00 58.31 56.58 1xwk n LYS 172 Cb 0.61 -1.51 0.04 0.00 -0.02 0.00 0.00 35.03 34.15 1xwk n LYS 172 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xwk n LEU 174 N -5.38 0.01 -0.33 0.00 4.32 -1.26 -4.14 117.00 110.21 1xwk n LEU 174 Ca 0.05 0.50 0.18 0.00 -0.02 0.00 0.00 56.01 56.73 1xwk n LEU 174 Cb 0.28 -0.50 0.42 0.00 -1.62 0.00 0.00 43.42 42.01 1xwk n LEU 174 CO 0.09 -0.01 1.20 0.44 -1.22 0.00 0.00 177.39 177.89 1xwk h ASP 175 N 0.00 0.60 0.29 -1.43 5.19 -1.64 -1.00 116.42 118.42 1xwk h ASP 175 Ca 0.00 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1xwk h ASP 175 Cb 0.50 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1xwk h ASP 175 CO 0.00 0.16 0.00 0.00 -3.12 0.00 0.00 179.24 176.28 1xwk n ALA 176 N -2.39 2.50 -3.78 3.45 0.00 -1.26 -4.47 120.51 114.57 1xwk n ALA 176 Ca 0.24 -0.16 -0.29 0.00 0.00 0.00 0.00 53.44 53.23 1xwk n ALA 176 Cb 0.73 -1.47 -0.13 0.00 0.00 0.00 0.00 19.45 18.58 1xwk n ALA 176 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1xwk s PHE 177 N -2.30 2.46 0.16 0.00 0.08 -0.38 -4.99 117.98 113.01 1xwk s PHE 177 Ca 0.35 -2.75 -0.18 0.00 0.12 0.00 0.00 56.93 54.48 1xwk s PHE 177 Cb 0.20 -2.17 0.08 0.00 -0.57 0.00 0.00 43.02 40.56 1xwk s PHE 177 CO 0.39 -0.74 1.66 -1.00 -0.10 0.00 0.00 175.22 175.44 1xwk h PRO 178 N 6.38 -0.04 -0.53 0.24 0.13 -1.78 -1.71 132.00 134.69 1xwk h PRO 178 Ca 0.02 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.29 1xwk h PRO 178 Cb 0.89 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 1xwk h PRO 178 CO 0.56 -0.03 0.37 -2.95 -0.23 0.00 0.00 178.00 175.73 1xwk h ASN 179 N -0.05 0.07 -0.04 1.44 -0.00 -1.94 0.16 115.58 115.23 1xwk h ASN 179 Ca 0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 56.30 56.37 1xwk h ASN 179 Cb 0.32 -0.01 0.01 0.00 -0.00 0.00 0.00 38.32 38.64 1xwk h ASN 179 CO -0.40 0.04 -0.41 -0.07 -0.00 0.00 0.00 177.43 176.58 1xwk h LEU 180 N 0.07 0.43 -1.23 6.14 3.38 -1.69 -1.37 115.31 121.05 1xwk h LEU 180 Ca 0.25 -0.70 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 1xwk h LEU 180 Cb 0.90 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1xwk h LEU 180 CO -0.02 1.07 0.26 0.11 0.09 0.00 0.00 178.44 179.95 1xwk h LYS 181 N -0.17 0.79 -0.01 1.13 1.57 -0.69 -0.88 116.57 118.30 1xwk h LYS 181 Ca -0.04 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 1xwk h LYS 181 Cb 1.10 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1xwk h LYS 181 CO 0.08 0.62 -0.58 -0.44 -0.57 0.00 0.00 179.45 178.57 1xwk h ASP 182 N 0.79 0.05 0.29 0.86 3.32 -0.70 -2.10 116.42 118.93 1xwk h ASP 182 Ca 0.19 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1xwk h ASP 182 Cb 0.10 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1xwk h ASP 182 CO -0.02 0.62 -0.14 0.15 -1.72 0.00 0.00 179.24 178.12 1xwk h PHE 183 N 0.04 -0.37 -0.93 4.55 3.57 -0.10 0.08 116.94 123.77 1xwk h PHE 183 Ca -0.01 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.62 1xwk h PHE 183 Cb 1.03 0.12 -0.09 0.00 2.79 0.00 0.00 35.95 39.80 1xwk h PHE 183 CO 0.00 -0.13 0.55 0.82 -2.23 0.00 0.00 178.31 177.32 1xwk h ILE 184 N -0.54 0.83 -0.19 1.41 2.04 -1.08 0.13 117.51 120.10 1xwk h ILE 184 Ca -0.04 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.49 1xwk h ILE 184 Cb 0.40 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1xwk h ILE 184 CO 0.07 0.15 -0.09 0.28 0.00 0.00 0.00 178.15 178.56 1xwk h SER 185 N 0.82 0.41 0.12 1.72 0.02 -1.27 -1.70 113.55 113.68 1xwk h SER 185 Ca 0.49 -0.41 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1xwk h SER 185 Cb 0.59 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1xwk h SER 185 CO -0.31 0.73 -0.14 -0.09 -1.14 0.00 0.00 176.83 175.88 1xwk h ARG 186 N 0.10 0.04 0.12 3.45 2.43 -0.23 -0.02 114.38 120.27 1xwk h ARG 186 Ca 0.04 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1xwk h ARG 186 Cb 0.57 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1xwk h ARG 186 CO 0.03 0.19 -0.06 0.35 -1.51 0.00 0.00 179.97 178.97 1xwk h PHE 187 N 0.04 -0.15 0.00 2.20 3.57 -0.65 -3.25 116.94 118.70 1xwk h PHE 187 Ca 0.01 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1xwk h PHE 187 Cb 0.28 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 1xwk h PHE 187 CO 0.00 0.21 -0.02 0.93 -2.23 0.00 0.00 178.31 177.21 1xwk h GLU 188 N -0.97 0.00 0.00 1.11 5.08 -1.27 -1.26 114.58 117.28 1xwk h GLU 188 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1xwk h GLU 188 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1xwk h GLU 188 CO 0.03 0.02 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 1xwk n GLY 189 N -0.66 -1.40 3.72 -3.84 0.00 -0.03 -3.13 105.19 99.85 1xwk n GLY 189 Ca -0.02 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1xwk n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xwk s LEU 190 N -2.89 4.37 0.06 0.99 1.43 -0.48 -4.78 118.68 117.39 1xwk s LEU 190 Ca 0.17 2.72 -0.13 0.00 -1.03 0.00 0.00 54.13 55.87 1xwk s LEU 190 Cb 0.18 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.78 1xwk s LEU 190 CO 0.49 -0.89 1.16 1.21 0.23 0.00 0.00 176.35 178.55 1xwk n GLU 191 N 3.97 -0.18 0.26 1.70 2.13 -1.26 0.35 120.64 127.62 1xwk n GLU 191 Ca 0.15 1.15 0.13 0.00 0.66 0.00 0.00 57.16 59.24 1xwk n GLU 191 Cb 0.37 -1.70 0.71 0.00 0.27 0.00 0.00 31.44 31.09 1xwk n GLU 191 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1xwk h LYS 192 N 0.00 0.00 0.07 5.31 1.57 -1.92 -1.59 116.57 120.01 1xwk h LYS 192 Ca 0.06 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.61 1xwk h LYS 192 Cb 0.17 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.50 1xwk h LYS 192 CO -0.38 0.12 -0.96 0.82 -0.57 0.00 0.00 179.45 178.48 1xwk h ILE 193 N 0.00 1.36 0.23 1.86 1.08 -1.20 -2.51 117.51 118.32 1xwk h ILE 193 Ca -0.00 -2.33 -0.01 0.00 -0.39 0.00 0.00 64.86 62.12 1xwk h ILE 193 Cb 0.37 2.71 0.00 0.00 -3.07 0.00 0.00 36.82 36.84 1xwk h ILE 193 CO 0.02 0.69 -0.11 -1.28 -0.69 0.00 0.00 178.15 176.78 1xwk h SER 194 N 0.07 -0.26 -0.22 1.72 0.87 0.20 -2.14 113.55 113.80 1xwk h SER 194 Ca -0.14 -0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.41 1xwk h SER 194 Cb 1.67 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 63.64 1xwk h SER 194 CO 0.19 -0.10 -0.11 0.00 -0.53 0.00 0.00 176.83 176.27 1xwk h ALA 195 N 0.36 0.07 -0.03 6.23 0.00 -1.40 -1.38 119.26 123.12 1xwk h ALA 195 Ca -0.03 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xwk h ALA 195 Cb 0.30 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xwk h ALA 195 CO 0.05 -0.53 0.02 -0.92 0.00 0.00 0.00 179.25 177.87 1xwk h TYR 196 N -0.09 0.04 0.00 0.00 3.20 -1.41 -1.71 116.97 117.00 1xwk h TYR 196 Ca 0.12 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 1xwk h TYR 196 Cb 0.27 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1xwk h TYR 196 CO -0.28 0.03 -0.50 0.52 -1.64 0.00 0.00 178.16 176.28 1xwk h MET 197 N 0.04 0.00 -0.01 1.82 2.86 -0.56 -2.88 114.93 116.20 1xwk h MET 197 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1xwk h MET 197 Cb -0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1xwk h MET 197 CO -0.00 0.50 -0.20 1.63 1.06 0.00 0.00 176.91 179.90 1xwk n LYS 198 N -3.62 0.88 -2.06 1.72 5.02 -0.69 -4.85 118.16 114.56 1xwk n LYS 198 Ca -0.00 -0.47 -0.29 0.00 -2.02 0.00 0.00 58.31 55.53 1xwk n LYS 198 Cb 0.58 -1.49 0.17 0.00 -0.02 0.00 0.00 35.03 34.27 1xwk n LYS 198 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1xwk s SER 199 N -2.45 3.40 0.25 4.39 1.04 -0.90 -4.99 113.70 114.44 1xwk s SER 199 Ca 0.27 0.16 0.18 0.00 0.48 0.00 0.00 55.95 57.03 1xwk s SER 199 Cb 0.20 -0.28 0.06 0.00 0.10 0.00 0.00 66.02 66.10 1xwk s SER 199 CO 0.49 -2.54 1.29 0.77 0.98 0.00 0.00 173.24 174.23 1xwk h SER 200 N -1.41 0.00 -0.16 7.02 4.64 -1.91 -3.33 113.55 118.39 1xwk h SER 200 Ca -0.43 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.81 1xwk h SER 200 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1xwk h SER 200 CO 0.39 0.37 -0.17 0.03 -0.87 0.00 0.00 176.83 176.58 1xwk h ARG 201 N 0.00 0.56 -6.00 4.77 3.08 -1.94 -3.44 114.38 111.41 1xwk h ARG 201 Ca -0.04 -0.19 -0.70 0.00 0.07 0.00 0.00 59.98 59.12 1xwk h ARG 201 Cb 1.31 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 31.29 1xwk h ARG 201 CO 0.04 0.71 1.38 0.34 -1.07 0.00 0.00 179.97 181.37 1xwk n PHE 202 N -4.16 1.46 -3.92 3.04 7.35 -1.25 -4.93 117.46 115.06 1xwk n PHE 202 Ca 0.00 0.44 -0.30 0.00 -0.76 0.00 0.00 57.45 56.83 1xwk n PHE 202 Cb 0.36 -2.45 -0.13 0.00 0.35 0.00 0.00 39.48 37.61 1xwk n PHE 202 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 1xwk s LEU 203 N 6.82 4.50 0.00 -2.13 2.96 -1.26 -4.91 118.68 124.66 1xwk s LEU 203 Ca 1.13 -3.16 0.25 0.00 -0.22 0.00 0.00 54.13 52.13 1xwk s LEU 203 Cb -1.07 -1.66 0.48 0.00 0.50 0.00 0.00 46.19 44.43 1xwk s LEU 203 CO 0.55 -0.22 1.39 -0.81 -1.32 0.00 0.00 176.35 175.95 1xwk n PRO 204 N 2.93 0.97 -3.62 0.98 -0.04 -1.26 -4.42 135.00 130.54 1xwk n PRO 204 Ca 0.08 -0.67 -0.15 0.00 -0.04 0.00 0.00 63.50 62.71 1xwk n PRO 204 Cb 0.33 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.24 1xwk n PRO 204 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xwk s ARG 205 N -2.49 0.92 0.65 0.54 0.52 -1.26 -4.38 118.95 113.45 1xwk s ARG 205 Ca 0.22 -0.05 -0.17 0.00 -0.52 0.00 0.00 55.73 55.21 1xwk s ARG 205 Cb 0.19 0.42 -0.01 0.00 0.52 0.00 0.00 34.95 36.08 1xwk s ARG 205 CO 0.54 -0.29 1.21 -2.14 0.02 0.00 0.00 175.30 174.63 1xwk s PRO 206 N -1.64 2.64 0.05 3.54 0.02 -1.26 -4.70 135.00 133.65 1xwk s PRO 206 Ca -0.10 1.78 -0.20 0.00 0.02 0.00 0.00 61.00 62.50 1xwk s PRO 206 Cb -0.02 -1.89 -0.12 0.00 0.02 0.00 0.00 34.50 32.49 1xwk s PRO 206 CO 0.04 -1.45 1.42 0.28 -0.33 0.00 0.00 177.00 176.96 1xwk h VAL 207 N 0.38 1.30 -5.08 3.83 2.07 -1.52 -1.47 116.25 115.77 1xwk h VAL 207 Ca -0.49 -1.09 -0.67 0.00 0.82 0.00 0.00 66.70 65.27 1xwk h VAL 207 Cb 1.30 1.67 -0.13 0.00 -1.52 0.00 0.00 31.29 32.61 1xwk h VAL 207 CO 0.53 0.33 -0.49 0.49 0.02 0.00 0.00 177.57 178.45 1xwk n PHE 208 N -4.63 1.12 -1.45 1.57 3.72 0.29 -1.26 117.46 116.82 1xwk n PHE 208 Ca -0.05 -2.56 -0.29 0.00 -0.05 0.00 0.00 57.45 54.49 1xwk n PHE 208 Cb 0.30 -0.32 0.19 0.00 -0.94 0.00 0.00 39.48 38.71 1xwk n PHE 208 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1xwk s SER 209 N -3.82 2.45 0.60 4.37 1.04 -1.26 -4.50 113.70 112.57 1xwk s SER 209 Ca 0.02 0.70 0.33 0.00 0.48 0.00 0.00 55.95 57.48 1xwk s SER 209 Cb 0.00 -1.04 1.90 0.00 0.10 0.00 0.00 66.02 66.98 1xwk s SER 209 CO 0.01 -3.18 2.24 0.11 0.98 0.00 0.00 173.24 173.40 1xwk h LYS 210 N -1.94 0.00 0.00 4.02 1.57 -1.94 -1.94 116.57 116.34 1xwk h LYS 210 Ca -0.47 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.29 1xwk h LYS 210 Cb 1.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 1xwk h LYS 210 CO 0.46 0.03 -0.07 0.52 -0.57 0.00 0.00 179.45 179.82 1xwk h MET 211 N 0.00 0.00 -7.08 3.15 2.86 -1.91 -3.45 114.93 108.49 1xwk h MET 211 Ca -0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 1xwk h MET 211 Cb 0.09 0.00 0.12 0.00 0.06 0.00 0.00 31.60 31.87 1xwk h MET 211 CO 0.00 0.07 0.51 0.00 1.06 0.00 0.00 176.91 178.56 1xwk s ALA 212 N -3.71 2.61 -0.24 6.32 0.00 -0.73 -4.90 121.76 121.11 1xwk s ALA 212 Ca 0.01 1.12 0.22 0.00 0.00 0.00 0.00 51.96 53.31 1xwk s ALA 212 Cb 0.10 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 1xwk s ALA 212 CO 0.57 -1.26 0.94 0.28 0.00 0.00 0.00 175.76 176.29 1xwk n VAL 213 N -1.42 0.45 -4.37 0.00 0.31 0.97 -4.52 118.33 109.75 1xwk n VAL 213 Ca 0.13 -0.50 -0.19 0.00 -0.01 0.00 0.00 64.34 63.77 1xwk n VAL 213 Cb 0.48 -0.22 -0.14 0.00 -0.91 0.00 0.00 33.84 33.05 1xwk n VAL 213 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 1xwk s TRP 214 N -3.38 0.86 -1.94 3.52 -0.00 -1.09 -4.77 118.94 112.14 1xwk s TRP 214 Ca -0.01 -0.19 0.00 0.00 -0.00 0.00 0.00 56.10 55.90 1xwk s TRP 214 Cb 0.11 -0.55 0.00 0.00 -0.00 0.00 0.00 33.47 33.03 1xwk s TRP 214 CO 0.81 -0.01 0.00 0.41 -0.00 0.00 0.00 176.95 178.16 1xwk n GLY 215 N 2.72 0.99 0.05 5.86 0.00 -1.26 -4.63 105.19 108.93 1xwk n GLY 215 Ca -0.14 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1xwk n GLY 215 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xwk n ASN 216 N -1.42 0.36 0.00 1.61 0.23 -1.26 -0.55 115.26 114.22 1xwk n ASN 216 Ca -0.21 0.55 0.00 0.00 -0.53 0.00 0.00 54.58 54.39 1xwk n ASN 216 Cb 0.66 -0.64 0.00 0.00 -2.08 0.00 0.00 39.78 37.72 1xwk n ASN 216 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50