#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 1.73 -0.09 0.54 -1.94 -0.53 -4.77 119.30 114.24 1xwk s MET 2 Ca 0.00 1.49 -0.02 0.00 -1.71 0.00 0.00 55.69 55.45 1xwk s MET 2 Cb 0.00 -1.81 0.04 0.00 2.01 0.00 0.00 34.83 35.06 1xwk s MET 2 CO 0.00 -2.09 0.02 -1.50 -0.01 0.00 0.00 175.02 171.44 1xwk s ILE 3 N -2.54 0.33 -0.32 2.53 2.07 -0.62 -0.63 121.20 122.01 1xwk s ILE 3 Ca 0.67 0.02 -0.15 0.00 -1.41 0.00 0.00 60.65 59.78 1xwk s ILE 3 Cb -0.23 -0.58 -0.02 0.00 0.13 0.00 0.00 42.46 41.76 1xwk s ILE 3 CO 0.53 0.14 0.37 -0.22 -1.91 0.00 0.00 174.94 173.86 1xwk s LEU 4 N 1.98 4.30 -0.10 8.50 2.96 -1.07 -1.68 118.68 133.57 1xwk s LEU 4 Ca 0.04 -0.06 -0.13 0.00 -0.22 0.00 0.00 54.13 53.76 1xwk s LEU 4 Cb -0.13 -2.37 -0.05 0.00 0.50 0.00 0.00 46.19 44.14 1xwk s LEU 4 CO -0.06 -0.29 0.32 -0.83 -1.32 0.00 0.00 176.35 174.17 1xwk s GLY 5 N 1.71 2.30 0.15 7.98 0.00 -0.09 -1.20 107.32 118.16 1xwk s GLY 5 Ca 0.13 -0.39 -0.24 0.00 0.00 0.00 0.00 44.72 44.22 1xwk s GLY 5 CO 0.11 0.23 1.06 -0.47 0.00 0.00 0.00 173.10 174.04 1xwk s TYR 6 N -0.25 0.03 0.81 1.90 5.04 -0.98 -2.23 117.35 121.66 1xwk s TYR 6 Ca 0.19 -0.37 -0.11 0.00 -2.44 0.00 0.00 57.07 54.34 1xwk s TYR 6 Cb -0.14 0.67 0.08 0.00 0.35 0.00 0.00 41.96 42.91 1xwk s TYR 6 CO 0.07 -0.81 1.10 -1.58 -1.34 0.00 0.00 175.55 172.99 1xwk s TRP 7 N -2.36 2.77 0.00 4.97 0.52 -1.26 -0.66 118.94 122.92 1xwk s TRP 7 Ca 0.20 1.17 -0.05 0.00 0.02 0.00 0.00 56.10 57.44 1xwk s TRP 7 Cb -0.02 -3.12 -0.24 0.00 -1.15 0.00 0.00 33.47 28.94 1xwk s TRP 7 CO 0.04 -1.84 3.33 -3.47 0.02 0.00 0.00 176.95 175.03 1xwk n ASP 8 N -3.48 4.75 -3.07 2.95 4.64 -0.27 -4.53 116.55 117.55 1xwk n ASP 8 Ca 0.07 -2.39 -0.18 0.00 -1.38 0.00 0.00 54.79 50.91 1xwk n ASP 8 Cb 0.56 -1.29 -0.07 0.00 -1.04 0.00 0.00 41.12 39.28 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 2.54 0.00 0.00 5.18 -5.35 -1.26 -4.75 119.36 115.72 1xwk n ILE 9 Ca 0.39 -2.23 0.00 0.00 -0.27 0.00 0.00 62.75 60.63 1xwk n ILE 9 Cb 0.83 1.13 0.00 0.00 -1.74 0.00 0.00 39.64 39.86 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 -0.59 0.00 0.00 6.28 0.63 -0.61 -4.87 116.66 117.51 1xwk n ARG 10 Ca 0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1xwk n ARG 10 Cb 0.56 -0.53 0.00 0.00 0.45 0.00 0.00 32.46 32.94 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 2.03 3.12 0.11 5.14 0.00 -0.74 -2.75 105.19 112.11 1xwk n GLY 11 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 45.94 1xwk n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xwk h LEU 12 N 0.00 0.00 -0.14 0.99 3.38 -1.92 -3.27 115.31 114.35 1xwk h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xwk h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xwk h LEU 12 CO 0.00 0.70 0.00 0.00 0.09 0.00 0.00 178.44 179.23 1xwk n ALA 13 N -2.31 1.75 0.13 1.53 0.00 -1.11 -4.05 120.51 116.45 1xwk n ALA 13 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1xwk n ALA 13 Cb 0.77 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 1xwk n ALA 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1xwk h HIS 14 N 0.00 -0.76 -0.99 0.00 6.17 -1.60 0.13 115.15 118.10 1xwk h HIS 14 Ca 0.00 0.01 0.20 0.00 0.71 0.00 0.00 60.37 61.29 1xwk h HIS 14 Cb 0.31 0.30 -0.10 0.00 2.52 0.00 0.00 27.41 30.44 1xwk h HIS 14 CO 0.00 -0.35 0.61 0.00 0.71 0.00 0.00 177.93 178.91 1xwk h ALA 15 N -1.24 1.79 -0.14 5.26 0.00 -1.85 -0.32 119.26 122.76 1xwk h ALA 15 Ca -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1xwk h ALA 15 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1xwk h ALA 15 CO -0.06 -0.15 0.04 0.82 0.00 0.00 0.00 179.25 179.90 1xwk h ILE 16 N 0.69 1.18 -0.31 0.00 2.04 -1.63 0.21 117.51 119.69 1xwk h ILE 16 Ca 0.56 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.92 1xwk h ILE 16 Cb 0.98 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 1xwk h ILE 16 CO -0.34 0.16 0.08 0.03 0.00 0.00 0.00 178.15 178.08 1xwk h ARG 17 N 0.05 0.20 -0.44 2.37 3.08 0.55 0.25 114.38 120.43 1xwk h ARG 17 Ca 0.05 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.12 1xwk h ARG 17 Cb 0.22 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.18 1xwk h ARG 17 CO -0.00 0.13 0.23 -0.07 -1.07 0.00 0.00 179.97 179.19 1xwk h LEU 18 N 0.21 0.34 -0.18 3.04 3.38 -0.95 -1.25 115.31 119.90 1xwk h LEU 18 Ca 0.14 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1xwk h LEU 18 Cb 0.13 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1xwk h LEU 18 CO -0.16 0.24 0.08 0.25 0.09 0.00 0.00 178.44 178.95 1xwk h LEU 19 N 0.46 0.24 -1.26 1.67 5.85 -0.38 0.03 115.31 121.91 1xwk h LEU 19 Ca 0.19 -0.13 0.14 0.00 0.84 0.00 0.00 57.88 58.92 1xwk h LEU 19 Cb 0.08 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 1xwk h LEU 19 CO -0.12 0.30 0.58 -0.07 -0.34 0.00 0.00 178.44 178.78 1xwk h LEU 20 N 0.16 0.68 -0.10 2.25 3.38 -0.26 -0.84 115.31 120.57 1xwk h LEU 20 Ca 0.06 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1xwk h LEU 20 Cb 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xwk h LEU 20 CO -0.01 0.34 -0.32 -0.33 0.09 0.00 0.00 178.44 178.22 1xwk h GLU 21 N 0.72 0.40 -0.13 1.13 4.39 -0.74 -0.61 114.58 119.74 1xwk h GLU 21 Ca 0.45 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 1xwk h GLU 21 Cb 0.70 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1xwk h GLU 21 CO -0.21 0.91 0.07 -0.92 -1.16 0.00 0.00 179.01 177.70 1xwk h TYR 22 N -0.04 0.16 -0.27 4.33 3.20 -0.26 -1.88 116.97 122.21 1xwk h TYR 22 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1xwk h TYR 22 Cb 0.94 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.16 1xwk h TYR 22 CO 0.11 0.12 0.00 0.25 -1.64 0.00 0.00 178.16 177.00 1xwk n THR 23 N -4.50 0.34 -2.48 1.81 -2.24 -0.39 -4.93 114.28 101.89 1xwk n THR 23 Ca -0.01 -0.50 -0.17 0.00 -2.27 0.00 0.00 64.05 61.10 1xwk n THR 23 Cb 0.09 0.56 -0.01 0.00 -2.10 0.00 0.00 70.33 68.88 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 0.75 -4.87 -4.76 3.42 8.00 -0.71 -4.92 116.55 113.46 1xwk n ASP 24 Ca 0.17 0.07 -0.39 0.00 0.71 0.00 0.00 54.79 55.35 1xwk n ASP 24 Cb 0.42 -4.08 0.01 0.00 -0.02 0.00 0.00 41.12 37.46 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 -2.09 5.82 -0.36 -2.24 0.01 -0.25 -4.96 113.70 109.63 1xwk s SER 25 Ca 0.02 2.67 -0.23 0.00 1.31 0.00 0.00 55.95 59.73 1xwk s SER 25 Cb -0.01 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.59 1xwk s SER 25 CO 0.03 -1.18 0.75 -0.55 0.41 0.00 0.00 173.24 172.69 1xwk s SER 26 N -0.90 6.52 0.17 2.44 0.15 -1.26 -4.87 113.70 115.95 1xwk s SER 26 Ca 0.64 0.30 -0.16 0.00 0.70 0.00 0.00 55.95 57.43 1xwk s SER 26 Cb -0.38 -2.38 0.03 0.00 -1.71 0.00 0.00 66.02 61.58 1xwk s SER 26 CO 0.47 -0.70 0.47 -0.72 1.20 0.00 0.00 173.24 173.95 1xwk s TYR 27 N 3.01 -0.10 0.20 3.44 1.13 -1.26 -1.45 117.35 122.32 1xwk s TYR 27 Ca 0.30 -0.23 0.00 0.00 -1.41 0.00 0.00 57.07 55.72 1xwk s TYR 27 Cb -0.13 0.31 -0.00 0.00 -1.10 0.00 0.00 41.96 41.04 1xwk s TYR 27 CO 0.16 -0.84 0.00 0.39 -2.51 0.00 0.00 175.55 172.76 1xwk n GLU 28 N -0.30 1.50 -3.76 -3.49 1.02 0.20 -4.93 120.64 110.88 1xwk n GLU 28 Ca -0.12 -1.49 -0.12 0.00 -0.02 0.00 0.00 57.16 55.41 1xwk n GLU 28 Cb 0.63 0.40 -0.12 0.00 -0.02 0.00 0.00 31.44 32.33 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 -2.74 0.28 -0.62 3.49 2.02 -1.26 -2.59 118.70 117.28 1xwk s GLU 29 Ca 0.00 0.46 -0.02 0.00 0.02 0.00 0.00 54.97 55.42 1xwk s GLU 29 Cb 0.00 0.04 0.16 0.00 0.10 0.00 0.00 34.13 34.43 1xwk s GLU 29 CO 0.00 -0.09 0.43 0.21 0.02 0.00 0.00 175.26 175.82 1xwk s LYS 30 N 0.64 2.52 0.04 1.61 2.47 -0.34 -4.92 119.74 121.75 1xwk s LYS 30 Ca -0.04 -2.53 -0.28 0.00 -1.56 0.00 0.00 55.97 51.57 1xwk s LYS 30 Cb -0.05 -3.70 -0.05 0.00 -1.46 0.00 0.00 37.83 32.57 1xwk s LYS 30 CO -0.04 -1.17 0.87 0.15 0.16 0.00 0.00 175.35 175.33 1xwk s LYS 31 N -0.06 4.57 -0.10 4.03 1.02 -1.26 -2.31 119.74 125.63 1xwk s LYS 31 Ca 0.17 1.25 -0.04 0.00 0.02 0.00 0.00 55.97 57.37 1xwk s LYS 31 Cb -0.21 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.66 1xwk s LYS 31 CO -0.03 0.14 0.04 0.71 -0.92 0.00 0.00 175.35 175.29 1xwk s TYR 32 N 0.37 3.28 -0.15 3.18 1.51 0.17 -4.83 117.35 120.88 1xwk s TYR 32 Ca 0.45 0.26 -0.06 0.00 -1.01 0.00 0.00 57.07 56.71 1xwk s TYR 32 Cb -0.21 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 1xwk s TYR 32 CO 0.26 0.51 0.06 0.99 -1.11 0.00 0.00 175.55 176.26 1xwk s THR 33 N -0.81 4.79 -0.18 -0.71 2.01 -1.26 -1.11 115.64 118.36 1xwk s THR 33 Ca 0.13 -0.05 -0.09 0.00 0.31 0.00 0.00 61.69 61.99 1xwk s THR 33 Cb -0.12 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 1xwk s THR 33 CO 0.03 0.52 0.12 -0.32 -0.69 0.00 0.00 174.62 174.28 1xwk s MET 34 N -0.18 4.01 0.98 4.92 1.75 -1.26 -4.64 119.30 124.87 1xwk s MET 34 Ca 0.07 -0.22 -0.11 0.00 -1.25 0.00 0.00 55.69 54.18 1xwk s MET 34 Cb -0.12 -3.35 0.18 0.00 2.84 0.00 0.00 34.83 34.38 1xwk s MET 34 CO 0.01 0.40 1.09 0.20 -0.65 0.00 0.00 175.02 176.07 1xwk s GLY 35 N 0.08 1.62 0.86 2.11 0.00 -0.18 -4.89 107.32 106.92 1xwk s GLY 35 Ca 0.09 0.12 -0.12 0.00 0.00 0.00 0.00 44.72 44.81 1xwk s GLY 35 CO -0.01 0.65 1.15 0.99 0.00 0.00 0.00 173.10 175.89 1xwk s ASP 36 N -2.94 3.96 0.90 1.64 -0.00 -1.26 -4.05 116.67 114.92 1xwk s ASP 36 Ca 0.66 0.89 -0.11 0.00 -0.00 0.00 0.00 52.55 53.99 1xwk s ASP 36 Cb -0.21 -1.44 0.14 0.00 -0.00 0.00 0.00 42.92 41.41 1xwk s ASP 36 CO 0.59 -2.26 1.16 0.00 -0.00 0.00 0.00 175.17 174.67 1xwk n ALA 37 N -3.57 -0.65 0.62 5.23 0.00 -1.26 -2.21 120.51 118.67 1xwk n ALA 37 Ca 0.07 -0.51 0.12 0.00 0.00 0.00 0.00 53.44 53.12 1xwk n ALA 37 Cb 0.60 -2.21 0.17 0.00 0.00 0.00 0.00 19.45 18.01 1xwk n ALA 37 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1xwk n PRO 38 N -4.07 0.26 -0.09 0.00 -0.04 -1.26 -4.80 135.00 125.00 1xwk n PRO 38 Ca 0.12 0.07 -0.13 0.00 -0.04 0.00 0.00 63.50 63.52 1xwk n PRO 38 Cb 0.52 -1.65 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 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 0.63 -5.39 3.54 3.32 -1.93 -3.48 116.42 113.11 1xwk h ASP 39 Ca 0.00 -0.45 -0.34 0.00 0.02 0.00 0.00 57.03 56.26 1xwk h ASP 39 Cb 0.71 -0.18 0.14 0.00 0.22 0.00 0.00 39.33 40.22 1xwk h ASP 39 CO 0.00 0.95 -0.65 -1.22 -1.72 0.00 0.00 179.24 176.60 1xwk n TYR 40 N -4.38 -2.43 -1.65 4.55 4.01 -0.94 -4.82 117.16 111.50 1xwk n TYR 40 Ca -0.04 0.91 -0.66 0.00 -0.16 0.00 0.00 57.90 57.95 1xwk n TYR 40 Cb 0.41 -4.73 -0.10 0.00 -0.31 0.00 0.00 39.34 34.61 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 -2.73 1.12 -0.70 7.72 2.03 -1.26 -4.36 116.55 118.38 1xwk n ASP 41 Ca -0.08 1.10 0.08 0.00 0.52 0.00 0.00 54.79 56.41 1xwk n ASP 41 Cb 0.59 -0.87 0.08 0.00 -0.72 0.00 0.00 41.12 40.20 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 4.47 1.46 -0.43 -0.67 1.74 -1.26 -1.01 116.66 120.96 1xwk n ARG 42 Ca 0.34 -1.57 0.35 0.00 -0.77 0.00 0.00 57.85 56.20 1xwk n ARG 42 Cb -0.06 -1.33 0.65 0.00 -1.02 0.00 0.00 32.46 30.71 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 3.31 0.22 -0.95 0.55 4.64 -1.90 -0.36 113.55 119.07 1xwk h SER 43 Ca 0.00 0.08 0.14 0.00 -0.47 0.00 0.00 61.79 61.55 1xwk h SER 43 Cb 0.72 0.06 -0.08 0.00 -0.31 0.00 0.00 62.40 62.79 1xwk h SER 43 CO 0.00 -0.06 0.60 -0.61 -0.87 0.00 0.00 176.83 175.89 1xwk h GLN 44 N 0.14 0.77 0.09 4.77 4.15 -1.84 0.69 115.11 123.88 1xwk h GLN 44 Ca 0.74 -0.05 -0.27 0.00 0.77 0.00 0.00 58.65 59.84 1xwk h GLN 44 Cb 2.40 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 29.91 1xwk h GLN 44 CO -0.27 0.51 -1.39 2.35 -1.93 0.00 0.00 178.83 178.10 1xwk h TRP 45 N 0.80 0.36 0.00 3.99 -0.00 -1.40 -3.38 115.95 116.32 1xwk h TRP 45 Ca 0.49 -0.26 -0.01 0.00 -0.00 0.00 0.00 58.89 59.10 1xwk h TRP 45 Cb 0.69 -0.01 -0.00 0.00 -0.00 0.00 0.00 29.16 29.83 1xwk h TRP 45 CO -0.00 1.54 -0.04 -0.07 -0.00 0.00 0.00 178.44 179.87 1xwk h LEU 46 N -0.40 0.00 0.00 0.65 3.38 -1.07 0.58 115.31 118.45 1xwk h LEU 46 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1xwk h LEU 46 Cb 1.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.43 1xwk h LEU 46 CO 0.02 0.04 0.00 0.59 0.09 0.00 0.00 178.44 179.18 1xwk n ASN 47 N -4.02 0.00 -0.02 -0.43 3.02 0.21 -3.78 115.26 110.24 1xwk n ASN 47 Ca -0.03 0.47 -0.02 0.00 -0.03 0.00 0.00 54.58 54.97 1xwk n ASN 47 Cb 0.13 -0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.79 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 -1.49 2.66 -0.18 3.52 1.02 -0.15 -4.81 120.64 121.21 1xwk n GLU 48 Ca 0.06 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.24 1xwk n GLU 48 Cb 0.29 -1.09 0.07 0.00 -0.02 0.00 0.00 31.44 30.69 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 -2.24 -0.04 -0.41 3.49 4.81 0.19 0.51 118.16 124.45 1xwk n LYS 49 Ca -0.06 0.77 0.11 0.00 -0.87 0.00 0.00 58.31 58.26 1xwk n LYS 49 Cb 0.60 -1.15 0.33 0.00 0.02 0.00 0.00 35.03 34.83 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 -4.81 1.06 0.87 5.64 3.01 -1.26 -4.24 117.46 117.74 1xwk n PHE 50 Ca 0.08 -0.52 0.09 0.00 1.01 0.00 0.00 57.45 58.11 1xwk n PHE 50 Cb 0.25 -0.05 -0.10 0.00 -0.01 0.00 0.00 39.48 39.57 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 1.52 0.93 0.00 -1.08 4.76 0.18 -4.47 118.16 120.00 1xwk n LYS 51 Ca 0.24 -0.06 0.14 0.00 -2.87 0.00 0.00 58.31 55.76 1xwk n LYS 51 Cb 0.67 -1.37 0.62 0.00 -1.84 0.00 0.00 35.03 33.11 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 -1.34 0.36 -0.32 -0.35 4.77 -1.18 -4.92 117.00 114.02 1xwk n LEU 52 Ca 0.04 0.08 -0.04 0.00 -0.03 0.00 0.00 56.01 56.06 1xwk n LEU 52 Cb 0.30 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 1xwk n LEU 52 CO 0.37 0.07 -0.04 0.61 -1.33 0.00 0.00 177.39 177.06 1xwk n GLY 53 N 1.30 0.71 3.81 -0.72 0.00 -1.26 -5.01 105.19 104.01 1xwk n GLY 53 Ca 0.14 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.96 3.82 -0.08 0.99 1.43 -1.26 -4.91 118.68 117.71 1xwk s LEU 54 Ca 0.00 1.81 -0.25 0.00 -1.03 0.00 0.00 54.13 54.66 1xwk s LEU 54 Cb 0.00 -4.55 -0.28 0.00 0.03 0.00 0.00 46.19 41.40 1xwk s LEU 54 CO 0.00 -0.67 0.87 0.44 0.23 0.00 0.00 176.35 177.22 1xwk h ASP 55 N 1.50 0.25 -2.34 2.29 3.32 -1.95 -3.39 116.42 116.09 1xwk h ASP 55 Ca -0.49 -0.94 -0.59 0.00 0.02 0.00 0.00 57.03 55.03 1xwk h ASP 55 Cb 1.20 -0.08 -0.41 0.00 0.22 0.00 0.00 39.33 40.27 1xwk h ASP 55 CO 0.60 1.16 -0.73 0.49 -1.72 0.00 0.00 179.24 179.04 1xwk n PHE 56 N -4.38 2.29 -1.11 4.55 3.72 -1.26 -5.09 117.46 116.18 1xwk n PHE 56 Ca -0.12 -3.98 -0.43 0.00 -0.05 0.00 0.00 57.45 52.87 1xwk n PHE 56 Cb 0.63 -0.45 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 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 1.36 0.00 -3.20 -1.08 -0.02 -1.26 -4.88 135.00 125.93 1xwk n PRO 57 Ca 0.26 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.71 1xwk n PRO 57 Cb 0.43 -0.96 0.02 0.00 -0.02 0.00 0.00 33.50 32.97 1xwk n PRO 57 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1xwk n ASN 58 N 2.53 -1.33 -3.84 2.55 2.85 -1.26 -5.10 115.26 111.65 1xwk n ASN 58 Ca 0.20 -1.74 -0.17 0.00 -0.11 0.00 0.00 54.58 52.76 1xwk n ASN 58 Cb -0.04 2.17 -0.16 0.00 1.24 0.00 0.00 39.78 43.00 1xwk n ASN 58 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1xwk s LEU 59 N 0.00 1.31 0.68 1.20 1.43 -1.26 -4.05 118.68 117.99 1xwk s LEU 59 Ca 0.16 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 1xwk s LEU 59 Cb -0.02 -0.23 -0.00 0.00 0.03 0.00 0.00 46.19 45.97 1xwk s LEU 59 CO 0.05 -0.08 1.06 -2.16 0.23 0.00 0.00 176.35 175.45 1xwk s PRO 60 N 0.84 3.05 0.01 1.29 0.04 -1.26 -4.94 135.00 134.04 1xwk s PRO 60 Ca -0.09 0.88 0.01 0.00 0.04 0.00 0.00 61.00 61.85 1xwk s PRO 60 Cb -0.12 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1xwk s PRO 60 CO -0.01 -1.00 -0.05 1.52 0.04 0.00 0.00 177.00 177.50 1xwk s TYR 61 N -3.09 0.43 -0.03 0.56 -0.85 -0.95 -3.68 117.35 109.75 1xwk s TYR 61 Ca 0.57 -0.21 0.07 0.00 -0.52 0.00 0.00 57.07 56.99 1xwk s TYR 61 Cb -0.13 -0.27 -0.02 0.00 0.38 0.00 0.00 41.96 41.92 1xwk s TYR 61 CO 0.55 -0.04 -0.24 -1.17 -1.52 0.00 0.00 175.55 173.13 1xwk s LEU 62 N -0.55 2.05 -0.22 -3.49 2.96 0.10 -0.92 118.68 118.60 1xwk s LEU 62 Ca -0.02 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1xwk s LEU 62 Cb -0.04 -1.29 0.05 0.00 0.50 0.00 0.00 46.19 45.41 1xwk s LEU 62 CO -0.00 0.27 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.61 1xwk s ILE 63 N -0.39 1.55 -0.61 6.68 1.01 -0.68 -0.15 121.20 128.60 1xwk s ILE 63 Ca 0.04 -1.15 0.03 0.00 0.00 0.00 0.00 60.65 59.58 1xwk s ILE 63 Cb -0.11 -1.76 0.15 0.00 0.01 0.00 0.00 42.46 40.75 1xwk s ILE 63 CO 0.01 -0.02 0.38 -0.62 0.00 0.00 0.00 174.94 174.69 1xwk s ASP 64 N 1.40 4.67 1.42 3.58 2.15 0.39 -1.59 116.67 128.69 1xwk s ASP 64 Ca -0.04 -3.31 0.00 0.00 0.43 0.00 0.00 52.55 49.62 1xwk s ASP 64 Cb -0.18 -1.68 0.00 0.00 -0.30 0.00 0.00 42.92 40.76 1xwk s ASP 64 CO -0.07 -0.19 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 1xwk n GLY 65 N 2.73 1.34 0.03 2.66 0.00 -1.26 -1.76 105.19 108.94 1xwk n GLY 65 Ca 0.11 0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.44 1xwk n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwk n ALA 66 N 8.38 3.69 -2.62 4.61 0.00 -1.26 -4.85 120.51 128.46 1xwk n ALA 66 Ca 0.00 -0.40 -0.40 0.00 0.00 0.00 0.00 53.44 52.64 1xwk n ALA 66 Cb 0.00 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.32 1xwk n ALA 66 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1xwk s HIS 67 N -2.94 3.28 -0.18 0.00 3.76 -0.72 -5.05 115.29 113.44 1xwk s HIS 67 Ca 0.12 0.68 -0.02 0.00 -0.15 0.00 0.00 55.06 55.69 1xwk s HIS 67 Cb 0.17 -2.73 -0.00 0.00 1.11 0.00 0.00 32.58 31.13 1xwk s HIS 67 CO 0.71 -0.27 -0.11 0.15 -0.85 0.00 0.00 174.74 174.37 1xwk s LYS 68 N 2.26 3.29 0.04 1.40 3.01 -1.26 -0.46 119.74 128.03 1xwk s LYS 68 Ca 0.22 -0.69 0.05 0.00 -1.01 0.00 0.00 55.97 54.54 1xwk s LYS 68 Cb -0.16 -2.78 -0.02 0.00 -1.01 0.00 0.00 37.83 33.86 1xwk s LYS 68 CO 0.09 -0.06 -0.14 0.42 0.51 0.00 0.00 175.35 176.16 1xwk s ILE 69 N 1.06 1.12 0.39 2.17 1.01 0.79 -4.78 121.20 122.96 1xwk s ILE 69 Ca -0.00 -1.04 0.03 0.00 0.00 0.00 0.00 60.65 59.64 1xwk s ILE 69 Cb -0.15 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 1xwk s ILE 69 CO -0.02 -0.02 0.09 0.42 0.00 0.00 0.00 174.94 175.41 1xwk s THR 70 N -0.90 0.86 -0.01 2.92 -4.23 -1.26 0.02 115.64 113.03 1xwk s THR 70 Ca 0.01 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.51 1xwk s THR 70 Cb -0.08 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.27 1xwk s THR 70 CO 0.01 0.00 0.02 0.00 -0.54 0.00 0.00 174.62 174.12 1xwk n GLN 71 N -0.86 -2.02 -0.35 3.99 1.13 -1.24 -4.27 117.38 113.76 1xwk n GLN 71 Ca -0.06 1.78 -0.10 0.00 -1.94 0.00 0.00 57.00 56.68 1xwk n GLN 71 Cb 0.66 -2.29 -0.09 0.00 0.11 0.00 0.00 30.24 28.63 1xwk n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1xwk h SER 72 N 1.68 -1.88 -0.23 1.08 4.64 -1.92 0.32 113.55 117.23 1xwk h SER 72 Ca -0.05 0.28 0.07 0.00 -0.47 0.00 0.00 61.79 61.62 1xwk h SER 72 Cb 0.12 0.83 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1xwk h SER 72 CO 0.00 -0.22 0.20 0.78 -0.87 0.00 0.00 176.83 176.72 1xwk h ASN 73 N -0.04 0.00 -0.22 4.97 2.35 -1.95 0.23 115.58 120.92 1xwk h ASN 73 Ca 0.13 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.75 1xwk h ASN 73 Cb 0.38 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.75 1xwk h ASN 73 CO -0.80 0.00 -0.39 0.00 -1.65 0.00 0.00 177.43 174.59 1xwk h ALA 74 N 1.82 0.35 -0.71 -0.83 0.00 -0.66 -2.52 119.26 116.72 1xwk h ALA 74 Ca 0.11 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1xwk h ALA 74 Cb 0.50 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1xwk h ALA 74 CO -0.00 0.44 0.19 0.82 0.00 0.00 0.00 179.25 180.71 1xwk h ILE 75 N 0.36 1.26 -0.11 0.00 2.04 0.93 -2.47 117.51 119.53 1xwk h ILE 75 Ca 0.01 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 1xwk h ILE 75 Cb 0.99 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1xwk h ILE 75 CO 0.09 0.36 0.04 -0.07 0.00 0.00 0.00 178.15 178.57 1xwk h LEU 76 N 1.06 0.14 -1.06 1.44 3.38 -0.81 -2.50 115.31 116.96 1xwk h LEU 76 Ca 0.23 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1xwk h LEU 76 Cb 0.34 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1xwk h LEU 76 CO -0.00 0.27 0.63 0.00 0.09 0.00 0.00 178.44 179.43 1xwk h TYR 78 N 1.27 -0.35 0.19 0.00 3.20 -1.27 0.25 116.97 120.27 1xwk h TYR 78 Ca 0.36 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 1xwk h TYR 78 Cb -0.11 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.34 1xwk h TYR 78 CO -0.00 -0.21 -0.09 0.82 -1.64 0.00 0.00 178.16 177.04 1xwk h ILE 79 N -0.17 0.91 -0.96 1.81 2.04 -1.01 -3.21 117.51 116.93 1xwk h ILE 79 Ca 0.09 -0.68 0.17 0.00 1.00 0.00 0.00 64.86 65.45 1xwk h ILE 79 Cb 0.30 1.30 -0.09 0.00 -0.74 0.00 0.00 36.82 37.60 1xwk h ILE 79 CO -0.23 0.15 0.61 0.00 0.00 0.00 0.00 178.15 178.67 1xwk h ALA 80 N 0.10 1.82 -0.28 1.87 0.00 0.15 -0.81 119.26 122.11 1xwk h ALA 80 Ca -0.03 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xwk h ALA 80 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1xwk h ALA 80 CO 0.04 -0.12 0.19 0.00 0.00 0.00 0.00 179.25 179.36 1xwk h ARG 81 N 0.70 0.34 0.00 0.00 3.08 -0.50 -0.52 114.38 117.48 1xwk h ARG 81 Ca 0.51 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.54 1xwk h ARG 81 Cb 0.86 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1xwk h ARG 81 CO -0.27 0.22 0.00 1.63 -1.07 0.00 0.00 179.97 180.48 1xwk n LYS 82 N -4.50 0.14 -0.60 0.04 5.02 -0.31 -3.30 118.16 114.65 1xwk n LYS 82 Ca 0.01 0.34 0.04 0.00 -2.02 0.00 0.00 58.31 56.69 1xwk n LYS 82 Cb 0.09 -1.75 0.06 0.00 -0.02 0.00 0.00 35.03 33.41 1xwk n LYS 82 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xwk n HIS 83 N -2.01 0.00 -3.90 2.13 8.25 -0.49 -5.02 115.22 114.17 1xwk n HIS 83 Ca 0.03 -0.51 -0.25 0.00 -0.26 0.00 0.00 57.72 56.73 1xwk n HIS 83 Cb 0.24 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.22 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 -0.38 -0.64 -0.15 0.41 4.13 -0.55 -4.88 115.26 113.20 1xwk n ASN 84 Ca 0.07 -0.98 0.02 0.00 1.68 0.00 0.00 54.58 55.38 1xwk n ASN 84 Cb 0.77 -3.23 0.05 0.00 -1.54 0.00 0.00 39.78 35.83 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 -4.37 2.26 -0.83 3.41 4.77 -0.32 -4.54 117.00 117.38 1xwk n LEU 85 Ca -0.30 -2.12 0.10 0.00 -0.03 0.00 0.00 56.01 53.66 1xwk n LEU 85 Cb 0.68 -0.10 0.29 0.00 -2.33 0.00 0.00 43.42 41.96 1xwk n LEU 85 CO 0.74 0.57 0.73 0.00 -1.33 0.00 0.00 177.39 178.09 1xwk n GLY 87 N 1.28 2.42 1.40 0.00 0.00 -1.26 -4.84 105.19 104.19 1xwk n GLY 87 Ca 0.17 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 1.42 0.00 -0.97 1.61 1.02 -1.26 -4.92 120.64 117.54 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 -0.14 0.23 0.00 -0.02 0.00 0.00 31.44 31.51 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 -1.45 1.76 0.01 2.62 -4.23 -1.26 -4.83 115.64 108.26 1xwk s THR 89 Ca 0.00 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.26 1xwk s THR 89 Cb 0.00 -2.39 -0.15 0.00 1.34 0.00 0.00 72.50 71.30 1xwk s THR 89 CO 0.00 0.00 1.13 -0.08 -0.54 0.00 0.00 174.62 175.13 1xwk h GLU 90 N -2.44 -0.69 -0.83 3.99 4.57 -1.99 -2.57 114.58 114.61 1xwk h GLU 90 Ca -0.51 0.05 0.17 0.00 -1.18 0.00 0.00 59.36 57.88 1xwk h GLU 90 Cb 1.32 0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 30.01 1xwk h GLU 90 CO 0.45 -0.38 0.55 0.93 -1.18 0.00 0.00 179.01 179.38 1xwk h GLU 91 N -1.04 0.46 0.11 1.92 4.39 -1.98 -0.98 114.58 117.46 1xwk h GLU 91 Ca -0.07 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1xwk h GLU 91 Cb 0.62 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1xwk h GLU 91 CO 0.12 0.31 -0.05 0.93 -1.16 0.00 0.00 179.01 179.15 1xwk h GLU 92 N 0.48 -0.14 -0.02 2.33 5.08 -1.80 -1.85 114.58 118.66 1xwk h GLU 92 Ca 0.42 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.80 1xwk h GLU 92 Cb 0.93 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1xwk h GLU 92 CO -0.16 -0.02 0.02 0.87 -1.00 0.00 0.00 179.01 178.72 1xwk h LYS 93 N -0.22 0.00 0.11 2.33 1.57 -0.78 0.54 116.57 120.11 1xwk h LYS 93 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1xwk h LYS 93 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1xwk h LYS 93 CO 0.02 0.00 -0.05 0.82 -0.57 0.00 0.00 179.45 179.67 1xwk h ILE 94 N 0.00 1.04 -0.75 1.86 2.04 -1.02 -1.64 117.51 119.04 1xwk h ILE 94 Ca 0.01 -1.29 0.09 0.00 1.00 0.00 0.00 64.86 64.67 1xwk h ILE 94 Cb 0.05 1.77 -0.07 0.00 -0.74 0.00 0.00 36.82 37.83 1xwk h ILE 94 CO -0.00 0.28 0.41 0.03 0.00 0.00 0.00 178.15 178.87 1xwk h ARG 95 N -0.82 0.69 0.34 2.37 3.08 -0.79 0.90 114.38 120.16 1xwk h ARG 95 Ca -0.01 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1xwk h ARG 95 Cb 0.57 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1xwk h ARG 95 CO 0.02 0.46 -0.24 0.28 -1.07 0.00 0.00 179.97 179.42 1xwk h VAL 96 N 0.71 0.49 -0.33 2.04 2.07 -0.94 -0.30 116.25 119.98 1xwk h VAL 96 Ca 0.36 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.93 1xwk h VAL 96 Cb 0.32 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1xwk h VAL 96 CO -0.24 0.00 0.07 0.44 0.02 0.00 0.00 177.57 177.86 1xwk h ASP 97 N -0.58 0.02 0.36 0.57 3.32 -0.52 0.42 116.42 120.01 1xwk h ASP 97 Ca -0.03 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 1xwk h ASP 97 Cb 0.49 0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1xwk h ASP 97 CO 0.01 0.05 -0.22 0.40 -1.72 0.00 0.00 179.24 177.76 1xwk h ILE 98 N 0.19 0.54 -0.09 0.35 2.04 -0.69 -2.95 117.51 116.91 1xwk h ILE 98 Ca 0.16 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 1xwk h ILE 98 Cb 0.17 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1xwk h ILE 98 CO -0.20 0.00 0.05 -0.07 0.00 0.00 0.00 178.15 177.93 1xwk h LEU 99 N -0.56 0.11 -1.03 1.44 3.38 -0.81 0.12 115.31 117.97 1xwk h LEU 99 Ca -0.04 -0.06 0.42 0.00 0.09 0.00 0.00 57.88 58.29 1xwk h LEU 99 Cb 0.46 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 41.01 1xwk h LEU 99 CO 0.04 0.14 0.57 1.21 0.09 0.00 0.00 178.44 180.49 1xwk n GLU 100 N -4.99 -0.06 -0.07 1.13 2.13 0.14 -0.55 120.64 118.38 1xwk n GLU 100 Ca -0.05 1.33 -0.12 0.00 0.66 0.00 0.00 57.16 58.97 1xwk n GLU 100 Cb 0.06 -2.41 -0.14 0.00 0.27 0.00 0.00 31.44 29.21 1xwk n GLU 100 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1xwk n ASN 101 N -5.12 0.86 -0.03 4.31 3.02 -0.98 -3.87 115.26 113.45 1xwk n ASN 101 Ca 0.37 0.14 -0.11 0.00 -0.03 0.00 0.00 54.58 54.95 1xwk n ASN 101 Cb 1.29 0.21 -0.05 0.00 -0.61 0.00 0.00 39.78 40.62 1xwk n ASN 101 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1xwk h GLN 102 N 0.01 0.20 -0.40 3.52 5.75 0.18 -1.50 115.11 122.88 1xwk h GLN 102 Ca -0.46 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.01 1xwk h GLN 102 Cb 2.09 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 30.58 1xwk h GLN 102 CO 0.03 0.19 0.21 1.79 -2.65 0.00 0.00 178.83 178.40 1xwk h THR 103 N 0.15 1.16 -0.76 2.39 1.35 -1.33 -1.21 112.91 114.66 1xwk h THR 103 Ca 0.05 -0.43 0.14 0.00 -0.55 0.00 0.00 66.41 65.63 1xwk h THR 103 Cb 0.04 0.71 -0.05 0.00 -1.73 0.00 0.00 68.15 67.13 1xwk h THR 103 CO -0.01 0.17 0.51 -0.03 -0.25 0.00 0.00 175.52 175.90 1xwk h MET 104 N 0.51 0.43 0.22 4.72 1.85 -1.61 0.16 114.93 121.22 1xwk h MET 104 Ca 0.14 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.19 1xwk h MET 104 Cb 0.08 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 32.01 1xwk h MET 104 CO -0.02 0.29 -0.11 -0.44 -0.40 0.00 0.00 176.91 176.23 1xwk h ASP 105 N 0.45 -0.25 -1.28 1.39 5.19 -0.49 -2.23 116.42 119.19 1xwk h ASP 105 Ca 0.37 0.01 0.37 0.00 -0.62 0.00 0.00 57.03 57.16 1xwk h ASP 105 Cb 0.81 0.07 -0.05 0.00 0.18 0.00 0.00 39.33 40.34 1xwk h ASP 105 CO -0.12 -0.09 0.92 0.78 -3.12 0.00 0.00 179.24 177.61 1xwk h ASN 106 N -0.48 0.00 0.26 6.45 -0.26 -0.86 -0.14 115.58 120.55 1xwk h ASN 106 Ca -0.03 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.70 1xwk h ASN 106 Cb 0.23 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.49 1xwk h ASN 106 CO 0.05 0.00 -0.12 -0.74 -1.06 0.00 0.00 177.43 175.56 1xwk h HIS 107 N 0.00 -0.32 -0.42 1.19 2.76 -0.70 -3.05 115.15 114.61 1xwk h HIS 107 Ca 0.61 -0.01 0.12 0.00 -2.20 0.00 0.00 60.37 58.90 1xwk h HIS 107 Cb 2.45 0.11 -0.02 0.00 1.55 0.00 0.00 27.41 31.50 1xwk h HIS 107 CO -0.00 -0.01 0.37 0.52 -1.30 0.00 0.00 177.93 177.52 1xwk h MET 108 N -0.99 0.00 0.18 5.26 2.86 -0.44 -0.49 114.93 121.31 1xwk h MET 108 Ca -0.04 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1xwk h MET 108 Cb 0.46 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1xwk h MET 108 CO 0.06 0.00 -0.09 1.96 1.06 0.00 0.00 176.91 179.90 1xwk h GLN 109 N 0.00 -0.23 0.13 1.72 4.20 -1.15 0.38 115.11 120.15 1xwk h GLN 109 Ca 0.20 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1xwk h GLN 109 Cb 0.95 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1xwk h GLN 109 CO -0.00 0.01 -0.06 1.25 -0.67 0.00 0.00 178.83 179.36 1xwk h LEU 110 N -0.45 -0.14 -0.81 1.46 5.85 -1.23 -2.83 115.31 117.15 1xwk h LEU 110 Ca -0.02 -0.07 0.16 0.00 0.84 0.00 0.00 57.88 58.79 1xwk h LEU 110 Cb 0.35 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.31 1xwk h LEU 110 CO 0.04 -0.02 0.35 1.23 -0.34 0.00 0.00 178.44 179.70 1xwk h GLY 111 N -0.26 1.29 0.61 3.75 0.00 -1.08 -0.31 103.07 107.08 1xwk h GLY 111 Ca -0.02 -0.17 0.05 0.00 0.00 0.00 0.00 47.33 47.19 1xwk h GLY 111 CO 0.03 -0.12 0.16 -0.33 0.00 0.00 0.00 176.54 176.27 1xwk h MET 112 N 0.47 0.32 0.09 4.80 2.86 -0.67 -1.93 114.93 120.88 1xwk h MET 112 Ca 0.46 -0.02 -0.26 0.00 -2.06 0.00 0.00 59.70 57.82 1xwk h MET 112 Cb 0.74 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1xwk h MET 112 CO -0.43 0.21 -1.15 -0.84 1.06 0.00 0.00 176.91 175.76 1xwk h ILE 113 N 0.33 1.50 0.00 -1.22 3.07 -1.33 -2.81 117.51 117.06 1xwk h ILE 113 Ca 0.21 -2.96 0.00 0.00 1.55 0.00 0.00 64.86 63.65 1xwk h ILE 113 Cb 0.19 2.83 0.00 0.00 -0.27 0.00 0.00 36.82 39.57 1xwk h ILE 113 CO -0.21 0.87 0.00 0.00 -1.05 0.00 0.00 178.15 177.76 1xwk n TYR 115 N -1.88 0.00 -2.79 0.00 4.01 -0.74 0.26 117.16 116.01 1xwk n TYR 115 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 1xwk n TYR 115 Cb 0.15 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.14 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 -1.76 7.12 0.31 7.72 3.84 -0.33 -4.70 114.94 127.14 1xwk s ASN 116 Ca 0.09 1.38 0.06 0.00 0.21 0.00 0.00 52.86 54.60 1xwk s ASN 116 Cb 0.10 -2.51 0.74 0.00 -0.55 0.00 0.00 41.25 39.04 1xwk s ASN 116 CO 0.37 -0.39 1.79 -0.65 -2.79 0.00 0.00 177.10 175.43 1xwk h PRO 117 N 7.13 0.75 -0.98 0.43 0.11 -1.92 0.14 132.00 137.66 1xwk h PRO 117 Ca -0.32 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 1xwk h PRO 117 Cb 1.15 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1xwk h PRO 117 CO 0.83 0.50 0.02 0.39 -0.21 0.00 0.00 178.00 179.53 1xwk n GLU 118 N -4.73 1.24 -0.32 1.05 1.02 -1.26 -4.45 120.64 113.19 1xwk n GLU 118 Ca 0.23 -0.24 0.17 0.00 -0.02 0.00 0.00 57.16 57.29 1xwk n GLU 118 Cb 0.55 -1.41 0.34 0.00 -0.02 0.00 0.00 31.44 30.90 1xwk n GLU 118 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1xwk h PHE 119 N 0.24 0.29 -1.00 -0.32 3.57 -0.92 0.15 116.94 118.95 1xwk h PHE 119 Ca 0.02 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.63 1xwk h PHE 119 Cb 0.78 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.48 1xwk h PHE 119 CO 0.10 -0.33 0.65 1.49 -2.23 0.00 0.00 178.31 177.98 1xwk h GLU 120 N 0.10 1.17 -0.10 1.11 4.57 -1.85 0.86 114.58 120.44 1xwk h GLU 120 Ca 0.62 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 58.59 1xwk h GLU 120 Cb 1.34 -0.26 0.01 0.00 -0.16 0.00 0.00 28.75 29.67 1xwk h GLU 120 CO -0.77 0.78 -0.49 -0.22 -1.18 0.00 0.00 179.01 177.12 1xwk h LYS 121 N 1.21 0.51 -0.19 1.92 3.64 -1.09 -3.31 116.57 119.26 1xwk h LYS 121 Ca 0.42 -0.42 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1xwk h LYS 121 Cb 0.11 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1xwk h LYS 121 CO -0.15 1.04 -0.37 -0.07 -2.27 0.00 0.00 179.45 177.63 1xwk h LEU 122 N 0.11 0.43 -0.86 5.20 4.07 -1.15 -3.32 115.31 119.78 1xwk h LEU 122 Ca -0.03 -0.17 0.21 0.00 0.08 0.00 0.00 57.88 57.97 1xwk h LEU 122 Cb 1.14 -0.12 -0.15 0.00 1.08 0.00 0.00 40.66 42.61 1xwk h LEU 122 CO 0.10 0.76 0.04 0.50 -1.08 0.00 0.00 178.44 178.76 1xwk h LYS 123 N 0.35 0.08 -0.41 1.13 3.64 -0.92 -2.54 116.57 117.90 1xwk h LYS 123 Ca 0.04 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1xwk h LYS 123 Cb 0.81 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.53 1xwk h LYS 123 CO 0.07 0.06 -0.13 -1.35 -2.27 0.00 0.00 179.45 175.82 1xwk h PRO 124 N 0.09 -0.03 0.07 1.90 0.11 -1.76 -1.88 132.00 130.49 1xwk h PRO 124 Ca 0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.60 1xwk h PRO 124 Cb 0.94 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1xwk h PRO 124 CO -0.76 -0.02 -0.03 -0.22 -0.21 0.00 0.00 178.00 176.75 1xwk h LYS 125 N -0.03 -0.09 -0.71 1.05 3.64 -1.71 -2.63 116.57 116.09 1xwk h LYS 125 Ca 0.20 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.74 1xwk h LYS 125 Cb 0.34 0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.07 1xwk h LYS 125 CO -0.45 0.19 0.09 -0.92 -2.27 0.00 0.00 179.45 176.10 1xwk h TYR 126 N -0.37 0.12 -0.29 1.91 3.20 -1.37 0.85 116.97 121.02 1xwk h TYR 126 Ca -0.01 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.83 1xwk h TYR 126 Cb 0.32 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 1xwk h TYR 126 CO 0.02 -0.15 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.19 1xwk h LEU 127 N 0.19 0.48 -1.44 2.82 3.38 -1.33 -1.66 115.31 117.74 1xwk h LEU 127 Ca 0.39 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 1xwk h LEU 127 Cb 0.68 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1xwk h LEU 127 CO -0.56 0.65 -0.09 -0.08 0.09 0.00 0.00 178.44 178.46 1xwk h GLU 128 N 0.46 0.26 0.07 1.13 4.81 -0.47 -3.21 114.58 117.63 1xwk h GLU 128 Ca 0.08 -0.05 -0.32 0.00 -0.13 0.00 0.00 59.36 58.94 1xwk h GLU 128 Cb 0.50 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.81 1xwk h GLU 128 CO 0.03 0.36 -1.74 0.93 -0.73 0.00 0.00 179.01 177.86 1xwk h GLU 129 N 0.25 0.16 -0.98 1.92 5.08 -1.08 -3.41 114.58 116.53 1xwk h GLU 129 Ca 0.05 -0.27 0.26 0.00 -1.00 0.00 0.00 59.36 58.41 1xwk h GLU 129 Cb 0.32 0.10 -0.18 0.00 0.50 0.00 0.00 28.75 29.49 1xwk h GLU 129 CO 0.02 0.92 0.02 1.25 -1.00 0.00 0.00 179.01 180.21 1xwk h LEU 130 N 0.04 -0.48 -0.74 1.33 5.85 -1.31 -2.22 115.31 117.78 1xwk h LEU 130 Ca -0.31 0.28 0.16 0.00 0.84 0.00 0.00 57.88 58.85 1xwk h LEU 130 Cb 2.02 0.48 -0.11 0.00 0.37 0.00 0.00 40.66 43.42 1xwk h LEU 130 CO 0.11 -0.34 0.15 -0.65 -0.34 0.00 0.00 178.44 177.36 1xwk h PRO 131 N 0.02 0.23 -0.69 5.25 0.11 -1.80 -0.41 132.00 134.71 1xwk h PRO 131 Ca 0.59 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.65 1xwk h PRO 131 Cb 1.19 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1xwk h PRO 131 CO -0.91 0.15 0.31 1.49 -0.21 0.00 0.00 178.00 178.83 1xwk h GLU 132 N 0.23 1.00 0.13 1.05 4.57 -1.72 -0.05 114.58 119.80 1xwk h GLU 132 Ca 0.41 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 58.45 1xwk h GLU 132 Cb 0.72 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 1xwk h GLU 132 CO -0.54 0.81 -0.24 0.87 -1.18 0.00 0.00 179.01 178.73 1xwk h LYS 133 N 0.96 -0.43 -0.76 1.92 1.57 -1.13 -1.38 116.57 117.32 1xwk h LYS 133 Ca 0.23 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.10 1xwk h LYS 133 Cb 0.15 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.51 1xwk h LYS 133 CO -0.03 -0.29 0.46 -0.07 -0.57 0.00 0.00 179.45 178.95 1xwk h LEU 134 N -0.45 0.72 -0.61 2.94 4.07 -1.17 -2.31 115.31 118.50 1xwk h LEU 134 Ca 0.02 0.02 0.10 0.00 0.08 0.00 0.00 57.88 58.10 1xwk h LEU 134 Cb 0.47 -0.13 -0.08 0.00 1.08 0.00 0.00 40.66 42.00 1xwk h LEU 134 CO -0.13 0.47 0.21 0.50 -1.08 0.00 0.00 178.44 178.42 1xwk h LYS 135 N 0.86 0.37 -0.49 1.13 3.64 -0.38 -1.08 116.57 120.61 1xwk h LYS 135 Ca 0.33 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.78 1xwk h LYS 135 Cb 0.14 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.80 1xwk h LYS 135 CO -0.16 0.25 0.06 -0.07 -2.27 0.00 0.00 179.45 177.26 1xwk h LEU 136 N 0.38 -0.08 -1.19 5.20 3.38 -0.69 0.36 115.31 122.67 1xwk h LEU 136 Ca 0.31 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.32 1xwk h LEU 136 Cb 0.41 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1xwk h LEU 136 CO -0.33 -0.01 -0.09 1.88 0.09 0.00 0.00 178.44 179.98 1xwk h TYR 137 N 0.19 0.47 0.38 1.13 0.05 -1.28 0.12 116.97 118.03 1xwk h TYR 137 Ca 0.25 -0.06 -0.02 0.00 0.05 0.00 0.00 58.73 58.95 1xwk h TYR 137 Cb 0.35 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 37.96 1xwk h TYR 137 CO -0.26 0.54 -0.18 1.03 -1.05 0.00 0.00 178.16 178.24 1xwk h SER 138 N 0.42 -0.43 -0.40 3.88 0.87 0.33 -0.46 113.55 117.76 1xwk h SER 138 Ca 0.08 -0.11 0.07 0.00 -1.23 0.00 0.00 61.79 60.60 1xwk h SER 138 Cb 0.42 0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.43 1xwk h SER 138 CO 0.02 -0.12 0.03 -0.33 -0.53 0.00 0.00 176.83 175.90 1xwk h GLU 139 N -0.75 0.14 0.21 2.24 5.08 -0.22 0.25 114.58 121.53 1xwk h GLU 139 Ca -0.05 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1xwk h GLU 139 Cb 0.51 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1xwk h GLU 139 CO 0.09 0.09 -0.31 0.35 -1.00 0.00 0.00 179.01 178.23 1xwk h PHE 140 N 0.14 -0.84 -0.11 4.33 3.57 -0.71 -2.97 116.94 120.35 1xwk h PHE 140 Ca 0.20 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1xwk h PHE 140 Cb 0.26 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 1xwk h PHE 140 CO -0.24 -0.43 0.05 1.25 -2.23 0.00 0.00 178.31 176.71 1xwk h LEU 141 N -0.59 0.14 0.00 0.59 5.85 -0.68 -3.47 115.31 117.16 1xwk h LEU 141 Ca 0.01 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1xwk h LEU 141 Cb 0.58 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1xwk h LEU 141 CO -0.12 0.23 0.00 0.61 -0.34 0.00 0.00 178.44 178.82 1xwk n GLY 142 N -0.77 3.79 1.31 3.75 0.00 0.85 -1.83 105.19 112.29 1xwk n GLY 142 Ca -0.05 0.03 0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 14.00 3.00 -2.74 1.61 4.76 -1.26 -4.93 118.16 132.60 1xwk n LYS 143 Ca 0.00 -2.38 -0.34 0.00 -2.87 0.00 0.00 58.31 52.72 1xwk n LYS 143 Cb 0.00 -1.68 -0.06 0.00 -1.84 0.00 0.00 35.03 31.45 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 -1.55 4.22 0.25 1.97 0.52 -0.76 -4.96 118.95 118.64 1xwk s ARG 144 Ca 0.43 1.24 0.09 0.00 -0.52 0.00 0.00 55.73 56.97 1xwk s ARG 144 Cb 0.26 -2.32 0.27 0.00 0.52 0.00 0.00 34.95 33.68 1xwk s ARG 144 CO 0.24 -0.05 1.56 -1.00 0.02 0.00 0.00 175.30 176.08 1xwk h PRO 145 N 2.16 0.06 -4.65 3.54 0.13 -1.89 -3.46 132.00 127.88 1xwk h PRO 145 Ca -0.49 -0.04 -0.25 0.00 -0.87 0.00 0.00 66.00 64.35 1xwk h PRO 145 Cb 1.19 0.01 -0.15 0.00 0.13 0.00 0.00 31.00 32.18 1xwk h PRO 145 CO 0.62 0.69 -0.66 -1.58 -0.23 0.00 0.00 178.00 176.84 1xwk s TRP 146 N -3.55 1.08 0.14 1.56 0.52 -1.02 -4.97 118.94 112.70 1xwk s TRP 146 Ca -0.02 -1.10 -0.13 0.00 0.02 0.00 0.00 56.10 54.87 1xwk s TRP 146 Cb 0.12 -0.61 -0.00 0.00 -1.15 0.00 0.00 33.47 31.82 1xwk s TRP 146 CO 0.78 -0.33 1.58 0.74 0.02 0.00 0.00 176.95 179.74 1xwk h PHE 147 N 2.76 0.88 -0.56 -1.98 -1.00 -1.88 -3.12 116.94 112.03 1xwk h PHE 147 Ca -0.36 -0.16 -0.09 0.00 2.81 0.00 0.00 57.97 60.17 1xwk h PHE 147 Cb 1.20 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 40.51 1xwk h PHE 147 CO 0.50 0.86 -0.01 0.00 -1.61 0.00 0.00 178.31 178.05 1xwk h ALA 148 N 0.90 0.93 0.00 2.45 0.00 -1.92 -3.48 119.26 118.14 1xwk h ALA 148 Ca 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xwk h ALA 148 Cb 0.53 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xwk h ALA 148 CO 0.03 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.33 1xwk n GLY 149 N -0.49 -0.50 0.14 0.00 0.00 -1.18 -4.60 105.19 98.56 1xwk n GLY 149 Ca 0.03 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.33 1.61 -0.26 -1.95 -2.71 115.58 108.94 1xwk h ASN 150 Ca 0.00 -0.04 -0.66 0.00 -0.56 0.00 0.00 56.30 55.04 1xwk h ASN 150 Cb 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 38.32 37.14 1xwk h ASN 150 CO 0.00 0.02 -0.65 -0.54 -1.06 0.00 0.00 177.43 175.20 1xwk s LYS 151 N -3.24 2.68 0.33 0.81 1.02 -1.26 -4.80 119.74 115.28 1xwk s LYS 151 Ca 0.05 -0.73 -0.26 0.00 0.02 0.00 0.00 55.97 55.04 1xwk s LYS 151 Cb 0.09 -2.61 -0.10 0.00 -0.52 0.00 0.00 37.83 34.69 1xwk s LYS 151 CO 0.71 0.58 0.99 -1.50 -0.92 0.00 0.00 175.35 175.21 1xwk s ILE 152 N -1.23 3.98 0.21 2.17 2.07 -1.26 -4.46 121.20 122.68 1xwk s ILE 152 Ca 0.24 1.68 0.01 0.00 -1.41 0.00 0.00 60.65 61.17 1xwk s ILE 152 Cb -0.12 -3.95 -0.05 0.00 0.13 0.00 0.00 42.46 38.48 1xwk s ILE 152 CO 0.16 0.17 0.07 0.42 -1.91 0.00 0.00 174.94 173.85 1xwk s THR 153 N -1.53 0.46 0.64 4.00 -4.23 -1.26 -4.80 115.64 108.91 1xwk s THR 153 Ca 0.50 -1.99 0.37 0.00 -1.18 0.00 0.00 61.69 59.40 1xwk s THR 153 Cb -0.22 -2.41 0.40 0.00 1.34 0.00 0.00 72.50 71.62 1xwk s THR 153 CO 0.28 -0.19 2.28 2.19 -0.54 0.00 0.00 174.62 178.64 1xwk h PHE 154 N 2.56 0.00 0.00 3.99 -5.15 -1.71 -1.04 116.94 115.58 1xwk h PHE 154 Ca -0.37 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 57.38 1xwk h PHE 154 Cb 1.23 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.40 1xwk h PHE 154 CO 0.46 0.00 -0.09 -0.39 -2.00 0.00 0.00 178.31 176.29 1xwk h VAL 155 N 0.00 0.31 -0.21 0.88 -1.51 -1.94 -2.28 116.25 111.50 1xwk h VAL 155 Ca 0.01 -0.59 -0.06 0.00 -1.23 0.00 0.00 66.70 64.82 1xwk h VAL 155 Cb 0.10 1.45 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 1xwk h VAL 155 CO -0.00 0.09 -0.15 0.44 -1.23 0.00 0.00 177.57 176.72 1xwk h ASP 156 N 0.00 0.33 -0.28 4.19 3.32 -1.60 -0.26 116.42 122.12 1xwk h ASP 156 Ca -0.00 -0.08 -0.13 0.00 0.02 0.00 0.00 57.03 56.84 1xwk h ASP 156 Cb 0.44 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1xwk h ASP 156 CO 0.01 0.51 -0.29 -0.26 -1.72 0.00 0.00 179.24 177.49 1xwk h PHE 157 N 0.32 0.90 -0.27 4.55 -1.00 -1.55 -1.22 116.94 118.67 1xwk h PHE 157 Ca 0.06 -0.23 -0.10 0.00 2.81 0.00 0.00 57.97 60.51 1xwk h PHE 157 Cb 0.46 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1xwk h PHE 157 CO 0.01 0.97 -0.22 -0.07 -1.61 0.00 0.00 178.31 177.39 1xwk h LEU 158 N 0.67 0.66 -0.74 1.54 3.38 -1.33 -2.07 115.31 117.41 1xwk h LEU 158 Ca 0.08 -0.45 -0.08 0.00 0.09 0.00 0.00 57.88 57.51 1xwk h LEU 158 Cb 0.82 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1xwk h LEU 158 CO 0.07 0.97 0.06 0.58 0.09 0.00 0.00 178.44 180.21 1xwk h VAL 159 N 0.35 1.26 0.78 1.22 2.07 -1.01 -2.52 116.25 118.40 1xwk h VAL 159 Ca 0.05 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1xwk h VAL 159 Cb 0.77 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1xwk h VAL 159 CO 0.06 0.39 -0.44 0.22 0.02 0.00 0.00 177.57 177.82 1xwk h TYR 160 N 0.95 -1.15 -0.85 1.57 5.03 -1.16 0.96 116.97 122.32 1xwk h TYR 160 Ca 0.18 -0.02 0.20 0.00 2.58 0.00 0.00 58.73 61.68 1xwk h TYR 160 Cb 0.46 0.40 -0.15 0.00 1.55 0.00 0.00 36.73 38.99 1xwk h TYR 160 CO 0.03 -0.67 -0.03 0.22 -1.32 0.00 0.00 178.16 176.39 1xwk h ASP 161 N -1.12 -0.47 0.24 -2.11 3.58 -1.33 0.85 116.42 116.05 1xwk h ASP 161 Ca -0.11 0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 1xwk h ASP 161 Cb 0.88 0.42 0.00 0.00 1.72 0.00 0.00 39.33 42.36 1xwk h ASP 161 CO 0.13 -0.25 -0.11 0.58 -2.88 0.00 0.00 179.24 176.71 1xwk h VAL 162 N 0.06 0.82 -0.68 2.25 2.07 -1.28 0.69 116.25 120.18 1xwk h VAL 162 Ca 0.47 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.70 1xwk h VAL 162 Cb 0.85 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 1xwk h VAL 162 CO -0.79 0.07 0.42 -0.07 0.02 0.00 0.00 177.57 177.23 1xwk h LEU 163 N -0.48 0.68 0.43 2.57 3.38 0.15 -2.55 115.31 119.49 1xwk h LEU 163 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1xwk h LEU 163 Cb 0.36 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1xwk h LEU 163 CO 0.05 0.47 -0.21 -0.78 0.09 0.00 0.00 178.44 178.07 1xwk h ASP 164 N 0.82 -0.49 -1.10 -0.43 3.58 0.71 -2.13 116.42 117.37 1xwk h ASP 164 Ca 0.27 0.01 0.32 0.00 0.42 0.00 0.00 57.03 58.05 1xwk h ASP 164 Cb 0.03 0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 1xwk h ASP 164 CO -0.11 -0.34 0.82 -0.07 -2.88 0.00 0.00 179.24 176.66 1xwk h LEU 165 N -0.60 0.00 0.00 2.28 3.38 -0.62 0.02 115.31 119.77 1xwk h LEU 165 Ca -0.06 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1xwk h LEU 165 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1xwk h LEU 165 CO 0.10 0.00 -0.88 0.45 0.09 0.00 0.00 178.44 178.20 1xwk h HIS 166 N 0.00 0.00 0.00 1.13 3.86 -0.99 -2.12 115.15 117.03 1xwk h HIS 166 Ca 0.52 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.60 1xwk h HIS 166 Cb 2.16 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.61 1xwk h HIS 166 CO 0.00 0.49 -0.63 0.07 0.86 0.00 0.00 177.93 178.71 1xwk h ARG 167 N 0.00 0.00 -0.16 2.45 0.11 -0.60 0.12 114.38 116.30 1xwk h ARG 167 Ca -0.07 0.00 -0.17 0.00 0.10 0.00 0.00 59.98 59.85 1xwk h ARG 167 Cb 1.43 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.51 1xwk h ARG 167 CO 0.05 0.63 -0.55 0.82 0.10 0.00 0.00 179.97 181.02 1xwk h ILE 168 N 0.00 1.32 -0.19 0.08 2.04 -1.42 -0.88 117.51 118.46 1xwk h ILE 168 Ca -0.01 -1.80 -0.19 0.00 1.00 0.00 0.00 64.86 63.86 1xwk h ILE 168 Cb 1.24 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1xwk h ILE 168 CO 0.08 0.56 -0.65 0.15 0.00 0.00 0.00 178.15 178.29 1xwk h PHE 169 N 0.34 0.93 -1.53 1.37 3.57 -1.24 -3.41 116.94 116.97 1xwk h PHE 169 Ca -0.02 -0.37 -0.20 0.00 3.53 0.00 0.00 57.97 60.91 1xwk h PHE 169 Cb 1.17 -0.16 -0.26 0.00 2.79 0.00 0.00 35.95 39.49 1xwk h PHE 169 CO 0.10 1.17 -0.56 -2.00 -2.23 0.00 0.00 178.31 174.79 1xwk s GLU 170 N -3.90 0.64 0.38 1.11 2.56 0.42 -5.07 118.70 114.84 1xwk s GLU 170 Ca -0.09 -0.34 0.19 0.00 0.00 0.00 0.00 54.97 54.72 1xwk s GLU 170 Cb 0.10 -0.30 1.14 0.00 2.00 0.00 0.00 34.13 37.06 1xwk s GLU 170 CO 0.88 -1.15 1.71 -1.35 -0.56 0.00 0.00 175.26 174.79 1xwk h PRO 171 N 7.37 0.33 -0.00 4.30 0.11 -1.31 -1.54 132.00 141.26 1xwk h PRO 171 Ca 0.01 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1xwk h PRO 171 Cb 1.12 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1xwk h PRO 171 CO 0.18 0.22 -0.09 1.63 -0.21 0.00 0.00 178.00 179.74 1xwk n LYS 172 N -4.77 0.14 -0.22 1.05 5.02 -1.26 -4.34 118.16 113.78 1xwk n LYS 172 Ca 0.29 -0.02 0.03 0.00 -2.02 0.00 0.00 58.31 56.59 1xwk n LYS 172 Cb 1.00 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 34.65 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 -5.18 0.27 -0.18 0.00 4.32 -1.26 -4.17 117.00 110.79 1xwk n LEU 174 Ca 0.11 0.14 0.15 0.00 -0.02 0.00 0.00 56.01 56.39 1xwk n LEU 174 Cb 0.39 -0.24 0.49 0.00 -1.62 0.00 0.00 43.42 42.43 1xwk n LEU 174 CO 0.13 0.05 1.21 0.44 -1.22 0.00 0.00 177.39 178.01 1xwk h ASP 175 N 0.29 0.43 0.52 -1.43 5.19 -1.55 -1.87 116.42 118.01 1xwk h ASP 175 Ca 0.00 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1xwk h ASP 175 Cb 0.35 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1xwk h ASP 175 CO 0.00 0.22 -0.02 0.00 -3.12 0.00 0.00 179.24 176.31 1xwk n ALA 176 N -2.51 2.54 -3.82 3.45 0.00 -1.26 -4.48 120.51 114.44 1xwk n ALA 176 Ca 0.15 -0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.14 1xwk n ALA 176 Cb 0.53 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.55 2.93 0.17 0.00 0.08 -0.70 -4.99 117.98 112.93 1xwk s PHE 177 Ca 0.29 -3.04 -0.21 0.00 0.12 0.00 0.00 56.93 54.09 1xwk s PHE 177 Cb 0.20 -2.38 0.10 0.00 -0.57 0.00 0.00 43.02 40.37 1xwk s PHE 177 CO 0.46 -0.66 1.61 -1.00 -0.10 0.00 0.00 175.22 175.53 1xwk h PRO 178 N 5.86 -0.18 -0.93 0.24 0.13 -1.78 -1.10 132.00 134.24 1xwk h PRO 178 Ca 0.09 0.01 0.21 0.00 -0.87 0.00 0.00 66.00 65.45 1xwk h PRO 178 Cb 0.83 0.04 -0.07 0.00 0.13 0.00 0.00 31.00 31.93 1xwk h PRO 178 CO 0.63 -0.12 0.61 -2.95 -0.23 0.00 0.00 178.00 175.94 1xwk h ASN 179 N -0.19 0.42 -0.24 1.44 -0.00 -1.94 0.14 115.58 115.22 1xwk h ASN 179 Ca 0.20 0.05 -0.12 0.00 -0.00 0.00 0.00 56.30 56.43 1xwk h ASN 179 Cb 0.51 -0.03 -0.00 0.00 -0.00 0.00 0.00 38.32 38.80 1xwk h ASN 179 CO -0.56 0.16 -0.33 -0.07 -0.00 0.00 0.00 177.43 176.63 1xwk h LEU 180 N 0.41 0.70 -0.51 6.14 3.38 -1.58 -0.29 115.31 123.56 1xwk h LEU 180 Ca 0.49 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xwk h LEU 180 Cb 1.22 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1xwk h LEU 180 CO -0.20 1.07 0.31 0.11 0.09 0.00 0.00 178.44 179.83 1xwk h LYS 181 N 0.35 0.70 -0.70 1.13 1.57 -0.43 -1.30 116.57 117.89 1xwk h LYS 181 Ca 0.03 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1xwk h LYS 181 Cb 0.91 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1xwk h LYS 181 CO 0.08 0.51 0.34 -0.44 -0.57 0.00 0.00 179.45 179.37 1xwk h ASP 182 N 0.69 0.89 -0.51 0.86 3.32 -0.73 -0.55 116.42 120.39 1xwk h ASP 182 Ca 0.18 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.16 1xwk h ASP 182 Cb -0.01 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1xwk h ASP 182 CO -0.03 0.75 0.31 0.15 -1.72 0.00 0.00 179.24 178.69 1xwk h PHE 183 N 0.99 0.58 -0.71 4.55 3.57 -0.36 0.51 116.94 126.07 1xwk h PHE 183 Ca 0.24 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.70 1xwk h PHE 183 Cb 0.09 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 1xwk h PHE 183 CO 0.01 0.34 0.22 0.82 -2.23 0.00 0.00 178.31 177.47 1xwk h ILE 184 N 0.62 1.26 0.02 1.41 2.04 -0.32 0.17 117.51 122.70 1xwk h ILE 184 Ca 0.20 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1xwk h ILE 184 Cb 0.00 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1xwk h ILE 184 CO -0.08 0.35 -0.01 0.28 0.00 0.00 0.00 178.15 178.68 1xwk h SER 185 N 1.06 -0.02 -0.86 1.72 0.02 -0.42 -0.40 113.55 114.64 1xwk h SER 185 Ca 0.23 -0.20 0.06 0.00 -0.84 0.00 0.00 61.79 61.04 1xwk h SER 185 Cb 0.29 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.78 1xwk h SER 185 CO -0.01 0.19 0.56 -0.09 -1.14 0.00 0.00 176.83 176.34 1xwk h ARG 186 N -0.23 0.95 -0.03 3.45 2.43 0.31 0.39 114.38 121.65 1xwk h ARG 186 Ca -0.00 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1xwk h ARG 186 Cb 0.22 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1xwk h ARG 186 CO 0.00 0.63 -0.11 0.35 -1.51 0.00 0.00 179.97 179.33 1xwk h PHE 187 N 0.98 0.18 0.00 2.20 3.57 -0.46 -3.18 116.94 120.23 1xwk h PHE 187 Ca 0.37 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 1xwk h PHE 187 Cb 0.19 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1xwk h PHE 187 CO -0.00 0.74 -0.24 0.93 -2.23 0.00 0.00 178.31 177.51 1xwk h GLU 188 N -0.44 0.00 0.00 1.11 5.08 -0.79 -2.55 114.58 116.99 1xwk h GLU 188 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xwk h GLU 188 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1xwk h GLU 188 CO 0.02 0.24 0.00 0.41 -1.00 0.00 0.00 179.01 178.69 1xwk n GLY 189 N -0.08 -1.24 3.73 -3.84 0.00 0.13 -2.96 105.19 100.93 1xwk n GLY 189 Ca -0.01 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.50 4.37 0.08 0.99 1.43 -0.96 -4.76 118.68 116.32 1xwk s LEU 190 Ca 0.08 2.84 -0.18 0.00 -1.03 0.00 0.00 54.13 55.84 1xwk s LEU 190 Cb 0.12 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.68 1xwk s LEU 190 CO 0.38 -0.93 1.30 -0.08 0.23 0.00 0.00 176.35 177.26 1xwk h GLU 191 N 6.41 -0.08 0.00 1.70 4.81 -1.90 0.59 114.58 126.12 1xwk h GLU 191 Ca -0.44 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 1xwk h GLU 191 Cb 1.20 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1xwk h GLU 191 CO 0.92 -0.05 -0.11 0.87 -0.73 0.00 0.00 179.01 179.90 1xwk h LYS 192 N -0.08 0.00 0.12 1.92 1.57 -1.92 -1.71 116.57 116.47 1xwk h LYS 192 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1xwk h LYS 192 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1xwk h LYS 192 CO -0.46 0.11 -0.06 0.82 -0.57 0.00 0.00 179.45 179.30 1xwk h ILE 193 N 0.00 0.89 -0.23 1.86 1.08 -1.52 -2.50 117.51 117.09 1xwk h ILE 193 Ca -0.00 -1.29 0.06 0.00 -0.39 0.00 0.00 64.86 63.24 1xwk h ILE 193 Cb 0.37 1.55 -0.07 0.00 -3.07 0.00 0.00 36.82 35.60 1xwk h ILE 193 CO 0.01 0.25 -0.29 -1.28 -0.69 0.00 0.00 178.15 176.16 1xwk h SER 194 N -0.89 -0.91 -0.56 1.72 0.87 0.26 -0.70 113.55 113.34 1xwk h SER 194 Ca -0.02 0.15 0.07 0.00 -1.23 0.00 0.00 61.79 60.76 1xwk h SER 194 Cb 0.53 0.41 -0.06 0.00 -0.44 0.00 0.00 62.40 62.85 1xwk h SER 194 CO 0.03 -0.32 0.24 0.00 -0.53 0.00 0.00 176.83 176.25 1xwk h ALA 195 N 0.65 0.72 -0.76 6.23 0.00 -1.42 -1.75 119.26 122.92 1xwk h ALA 195 Ca 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1xwk h ALA 195 Cb 0.51 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1xwk h ALA 195 CO -0.40 -0.15 0.47 -0.92 0.00 0.00 0.00 179.25 178.26 1xwk h TYR 196 N 0.45 0.99 0.00 0.00 3.20 -0.93 -2.24 116.97 118.44 1xwk h TYR 196 Ca 0.27 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.13 1xwk h TYR 196 Cb 0.26 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.20 1xwk h TYR 196 CO -0.14 0.66 -0.07 0.52 -1.64 0.00 0.00 178.16 177.49 1xwk h MET 197 N 1.04 0.00 -0.02 1.82 2.86 -0.27 -1.03 114.93 119.34 1xwk h MET 197 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1xwk h MET 197 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 1xwk h MET 197 CO -0.05 0.07 -0.06 1.63 1.06 0.00 0.00 176.91 179.56 1xwk n LYS 198 N -4.19 1.61 -2.29 1.72 5.02 -0.88 -4.84 118.16 114.30 1xwk n LYS 198 Ca -0.03 -1.02 -0.27 0.00 -2.02 0.00 0.00 58.31 54.98 1xwk n LYS 198 Cb 0.16 -1.48 0.16 0.00 -0.02 0.00 0.00 35.03 33.84 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 -2.10 3.59 0.33 4.39 1.04 -0.39 -4.99 113.70 115.58 1xwk s SER 199 Ca 0.34 -0.15 0.23 0.00 0.48 0.00 0.00 55.95 56.85 1xwk s SER 199 Cb 0.20 0.01 0.33 0.00 0.10 0.00 0.00 66.02 66.66 1xwk s SER 199 CO 0.37 -2.39 1.49 0.77 0.98 0.00 0.00 173.24 174.46 1xwk h SER 200 N -1.14 0.00 0.52 7.02 4.64 -1.92 -3.32 113.55 119.35 1xwk h SER 200 Ca -0.39 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 60.77 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 0.36 0.01 -0.62 0.03 -0.87 0.00 0.00 176.83 175.74 1xwk h ARG 201 N 0.00 0.10 -6.09 4.77 3.08 -1.94 -3.45 114.38 110.84 1xwk h ARG 201 Ca 0.00 -0.07 -0.68 0.00 0.07 0.00 0.00 59.98 59.31 1xwk h ARG 201 Cb 0.94 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 1xwk h ARG 201 CO 0.00 0.68 1.21 0.34 -1.07 0.00 0.00 179.97 181.14 1xwk n PHE 202 N -3.83 1.89 -3.89 3.04 7.35 -1.25 -4.92 117.46 115.86 1xwk n PHE 202 Ca -0.02 0.28 -0.28 0.00 -0.76 0.00 0.00 57.45 56.66 1xwk n PHE 202 Cb 0.62 -2.55 -0.12 0.00 0.35 0.00 0.00 39.48 37.78 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 5.61 4.58 0.00 -2.13 2.96 -1.26 -4.91 118.68 123.53 1xwk s LEU 203 Ca 1.03 -3.64 0.24 0.00 -0.22 0.00 0.00 54.13 51.54 1xwk s LEU 203 Cb -0.87 -1.59 0.94 0.00 0.50 0.00 0.00 46.19 45.16 1xwk s LEU 203 CO 0.54 -0.12 1.66 -0.81 -1.32 0.00 0.00 176.35 176.30 1xwk n PRO 204 N 2.25 1.63 -3.51 0.98 -0.04 -1.26 -4.30 135.00 130.75 1xwk n PRO 204 Ca 0.17 -0.94 -0.15 0.00 -0.04 0.00 0.00 63.50 62.53 1xwk n PRO 204 Cb 0.35 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.89 1.02 0.55 0.54 0.52 -1.26 -4.45 118.95 113.98 1xwk s ARG 205 Ca 0.35 0.09 -0.20 0.00 -0.52 0.00 0.00 55.73 55.44 1xwk s ARG 205 Cb 0.19 0.48 -0.05 0.00 0.52 0.00 0.00 34.95 36.09 1xwk s ARG 205 CO 0.29 -0.35 1.25 -2.14 0.02 0.00 0.00 175.30 174.37 1xwk s PRO 206 N -1.72 3.15 0.13 3.54 0.02 -1.26 -4.67 135.00 134.19 1xwk s PRO 206 Ca -0.07 1.96 -0.14 0.00 0.02 0.00 0.00 61.00 62.77 1xwk s PRO 206 Cb -0.00 -2.12 -0.01 0.00 0.02 0.00 0.00 34.50 32.38 1xwk s PRO 206 CO 0.04 -1.10 1.58 0.28 -0.33 0.00 0.00 177.00 177.47 1xwk h VAL 207 N 1.24 1.26 -1.10 3.83 2.07 -1.65 -1.61 116.25 120.29 1xwk h VAL 207 Ca -0.50 -1.00 -0.64 0.00 0.82 0.00 0.00 66.70 65.37 1xwk h VAL 207 Cb 1.29 1.08 -0.13 0.00 -1.52 0.00 0.00 31.29 32.01 1xwk h VAL 207 CO 0.57 0.34 -0.51 -0.36 0.02 0.00 0.00 177.57 177.63 1xwk s PHE 208 N -5.04 1.80 1.12 1.57 0.08 -0.18 -1.80 117.98 115.55 1xwk s PHE 208 Ca -0.13 -1.10 -0.19 0.00 0.12 0.00 0.00 56.93 55.64 1xwk s PHE 208 Cb 0.10 -1.44 0.26 0.00 -0.57 0.00 0.00 43.02 41.38 1xwk s PHE 208 CO 0.80 0.02 1.21 -1.54 -0.10 0.00 0.00 175.22 175.60 1xwk s SER 209 N -3.80 1.65 0.55 1.36 1.04 -1.26 -4.52 113.70 108.71 1xwk s SER 209 Ca 0.10 0.42 0.25 0.00 0.48 0.00 0.00 55.95 57.20 1xwk s SER 209 Cb 0.01 -0.53 1.55 0.00 0.10 0.00 0.00 66.02 67.15 1xwk s SER 209 CO 0.06 -3.66 2.17 0.11 0.98 0.00 0.00 173.24 172.90 1xwk h LYS 210 N -2.27 0.00 0.00 4.02 1.57 -1.95 -2.12 116.57 115.83 1xwk h LYS 210 Ca -0.44 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1xwk h LYS 210 Cb 1.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 1xwk h LYS 210 CO 0.33 0.05 -0.02 0.52 -0.57 0.00 0.00 179.45 179.75 1xwk h MET 211 N 0.00 0.00 -7.10 3.15 2.86 -1.91 -3.45 114.93 108.48 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 0.11 0.00 0.12 0.00 0.06 0.00 0.00 31.60 31.90 1xwk h MET 211 CO 0.01 0.02 0.49 0.00 1.06 0.00 0.00 176.91 178.49 1xwk s ALA 212 N -3.77 2.52 -0.09 6.32 0.00 -0.80 -4.90 121.76 121.04 1xwk s ALA 212 Ca -0.00 1.07 0.15 0.00 0.00 0.00 0.00 51.96 53.18 1xwk s ALA 212 Cb 0.10 -3.48 -0.14 0.00 0.00 0.00 0.00 23.12 19.60 1xwk s ALA 212 CO 0.53 -1.27 0.90 0.28 0.00 0.00 0.00 175.76 176.20 1xwk h VAL 213 N 0.85 0.70 -4.12 0.00 2.07 -0.47 -3.40 116.25 111.88 1xwk h VAL 213 Ca -0.51 -2.27 -0.55 0.00 0.82 0.00 0.00 66.70 64.19 1xwk h VAL 213 Cb 1.31 2.22 -0.25 0.00 -1.52 0.00 0.00 31.29 33.05 1xwk h VAL 213 CO 0.55 0.40 -0.83 0.86 0.02 0.00 0.00 177.57 178.57 1xwk s TRP 214 N -2.84 1.70 -1.69 1.57 -0.00 -1.07 -4.73 118.94 111.89 1xwk s TRP 214 Ca -0.02 -0.38 0.00 0.00 -0.00 0.00 0.00 56.10 55.70 1xwk s TRP 214 Cb 0.08 -1.01 0.00 0.00 -0.00 0.00 0.00 33.47 32.55 1xwk s TRP 214 CO 0.81 0.09 0.00 0.41 -0.00 0.00 0.00 176.95 178.26 1xwk n GLY 215 N 1.78 0.63 0.01 5.86 0.00 -1.26 -4.64 105.19 107.57 1xwk n GLY 215 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.44 0.08 0.00 1.61 0.23 -1.26 -1.01 115.26 113.47 1xwk n ASN 216 Ca -0.19 0.51 0.00 0.00 -0.53 0.00 0.00 54.58 54.37 1xwk n ASN 216 Cb 0.62 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 1xwk n ASN 216 CO 0.00 0.00 0.00 1.17 -0.93 0.00 0.00 177.26 177.50