#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xgk s GLN 4 N 0.00 4.15 0.20 -1.09 2.00 -1.26 -4.91 119.66 118.74 1xgk s GLN 4 Ca 0.00 2.55 -0.32 0.00 -2.00 0.00 0.00 55.36 55.59 1xgk s GLN 4 Cb 0.00 -3.58 -0.12 0.00 0.80 0.00 0.00 33.01 30.12 1xgk s GLN 4 CO 0.00 -0.82 1.72 0.15 -0.50 0.00 0.00 175.29 175.84 1xgk s LYS 5 N 2.67 4.13 0.46 1.67 -0.14 -1.26 -4.95 119.74 122.31 1xgk s LYS 5 Ca 0.79 2.59 -0.20 0.00 -1.36 0.00 0.00 55.97 57.79 1xgk s LYS 5 Cb -0.45 -3.12 -0.10 0.00 -1.68 0.00 0.00 37.83 32.48 1xgk s LYS 5 CO 0.35 -0.75 0.96 0.15 -0.76 0.00 0.00 175.35 175.31 1xgk s LYS 6 N 1.30 4.13 0.11 1.68 1.02 -1.26 -4.62 119.74 122.10 1xgk s LYS 6 Ca 0.75 1.09 -0.30 0.00 0.02 0.00 0.00 55.97 57.52 1xgk s LYS 6 Cb -0.49 -2.16 -0.06 0.00 -0.52 0.00 0.00 37.83 34.59 1xgk s LYS 6 CO 0.32 -0.11 1.09 0.99 -0.92 0.00 0.00 175.35 176.72 1xgk s THR 7 N -2.29 4.13 -0.14 2.17 2.01 -1.26 -4.13 115.64 116.12 1xgk s THR 7 Ca 0.61 1.69 -0.02 0.00 0.31 0.00 0.00 61.69 64.28 1xgk s THR 7 Cb -0.10 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 1xgk s THR 7 CO 0.18 0.22 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.64 1xgk s ILE 8 N 0.31 3.66 -0.11 1.82 1.01 -0.29 -1.40 121.20 126.20 1xgk s ILE 8 Ca 0.52 -0.44 -0.15 0.00 0.00 0.00 0.00 60.65 60.57 1xgk s ILE 8 Cb -0.27 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 1xgk s ILE 8 CO 0.32 0.51 0.38 0.00 0.00 0.00 0.00 174.94 176.14 1xgk s ALA 9 N 0.28 3.59 -0.04 9.38 0.00 0.08 -1.21 121.76 133.84 1xgk s ALA 9 Ca -0.05 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.62 1xgk s ALA 9 Cb -0.14 -2.47 0.01 0.00 0.00 0.00 0.00 23.12 20.52 1xgk s ALA 9 CO 0.04 0.17 -0.11 0.08 0.00 0.00 0.00 175.76 175.94 1xgk s VAL 10 N 0.10 0.93 -0.09 0.00 1.01 0.23 -1.18 120.40 121.41 1xgk s VAL 10 Ca 0.21 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.82 1xgk s VAL 10 Cb -0.15 -0.84 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 1xgk s VAL 10 CO 0.08 0.29 -0.23 -0.69 0.00 0.00 0.00 175.10 174.55 1xgk s VAL 11 N 0.33 2.18 0.00 2.92 1.01 -0.98 -1.90 120.40 123.96 1xgk s VAL 11 Ca -0.06 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1xgk s VAL 11 Cb -0.11 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1xgk s VAL 11 CO 0.01 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.29 1xgk n GLY 12 N 3.27 1.41 0.35 4.51 0.00 -1.25 -2.23 105.19 111.26 1xgk n GLY 12 Ca -0.18 -0.08 0.06 0.00 0.00 0.00 0.00 46.02 45.82 1xgk n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xgk h ALA 13 N 0.00 1.45 -0.01 4.61 0.00 -1.80 -1.85 119.26 121.65 1xgk h ALA 13 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1xgk h ALA 13 Cb 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xgk h ALA 13 CO 0.00 0.18 -0.19 0.25 0.00 0.00 0.00 179.25 179.49 1xgk n THR 14 N -4.66 0.00 -1.79 0.00 -2.24 -1.26 -1.68 114.28 102.65 1xgk n THR 14 Ca 0.18 -0.11 -0.30 0.00 -2.27 0.00 0.00 64.05 61.56 1xgk n THR 14 Cb 0.35 0.22 0.08 0.00 -2.10 0.00 0.00 70.33 68.88 1xgk n THR 14 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xgk s GLY 15 N -2.47 1.61 0.27 3.38 0.00 -0.70 -4.79 107.32 104.61 1xgk s GLY 15 Ca 0.26 -0.45 -0.04 0.00 0.00 0.00 0.00 44.72 44.49 1xgk s GLY 15 CO 0.50 -0.01 1.94 3.21 0.00 0.00 0.00 173.10 178.74 1xgk h ARG 16 N -0.98 1.20 -0.02 2.90 3.08 -1.90 -0.47 114.38 118.19 1xgk h ARG 16 Ca -0.46 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.49 1xgk h ARG 16 Cb 1.29 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1xgk h ARG 16 CO 0.64 0.81 -0.04 1.96 -1.07 0.00 0.00 179.97 182.27 1xgk h GLN 17 N 1.23 0.06 -0.36 0.04 4.20 -1.88 -2.58 115.11 115.82 1xgk h GLN 17 Ca 0.33 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 1xgk h GLN 17 Cb -0.12 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1xgk h GLN 17 CO -0.07 0.61 0.18 0.78 -0.67 0.00 0.00 178.83 179.66 1xgk h GLY 18 N -0.48 0.55 0.99 3.46 0.00 -1.50 -2.06 103.07 104.03 1xgk h GLY 18 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1xgk h GLY 18 CO 0.01 0.26 0.32 0.00 0.00 0.00 0.00 176.54 177.12 1xgk h ALA 19 N 1.03 0.68 -0.23 3.60 0.00 -0.16 0.49 119.26 124.67 1xgk h ALA 19 Ca 0.12 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1xgk h ALA 19 Cb 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1xgk h ALA 19 CO -0.02 0.17 0.02 1.03 0.00 0.00 0.00 179.25 180.46 1xgk h SER 20 N 0.72 -0.04 0.01 0.00 0.87 -1.27 -1.34 113.55 112.50 1xgk h SER 20 Ca 0.19 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1xgk h SER 20 Cb -0.01 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1xgk h SER 20 CO -0.04 0.01 -0.00 0.25 -0.53 0.00 0.00 176.83 176.52 1xgk h LEU 21 N 0.11 -0.01 -0.55 2.23 5.85 -1.06 -3.06 115.31 118.82 1xgk h LEU 21 Ca 0.11 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1xgk h LEU 21 Cb 0.12 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1xgk h LEU 21 CO -0.16 0.09 0.25 0.40 -0.34 0.00 0.00 178.44 178.68 1xgk h ILE 22 N -0.10 0.89 0.29 4.05 2.04 -0.58 0.20 117.51 124.29 1xgk h ILE 22 Ca -0.00 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1xgk h ILE 22 Cb 0.10 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1xgk h ILE 22 CO 0.00 0.09 -0.18 0.03 0.00 0.00 0.00 178.15 178.09 1xgk h ARG 23 N 0.48 -0.43 -0.37 2.37 3.08 -1.24 -1.24 114.38 117.04 1xgk h ARG 23 Ca 0.26 0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.20 1xgk h ARG 23 Cb 0.22 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1xgk h ARG 23 CO -0.21 -0.29 -0.33 -0.24 -1.07 0.00 0.00 179.97 177.84 1xgk h VAL 24 N -0.45 1.28 -0.30 2.04 3.04 -1.41 -2.52 116.25 117.93 1xgk h VAL 24 Ca -0.03 -1.49 0.02 0.00 -1.01 0.00 0.00 66.70 64.19 1xgk h VAL 24 Cb 0.37 1.34 -0.02 0.00 -2.01 0.00 0.00 31.29 30.97 1xgk h VAL 24 CO 0.03 0.49 0.16 0.00 -1.01 0.00 0.00 177.57 177.24 1xgk h ALA 25 N 0.94 0.37 -0.56 3.17 0.00 -0.51 -2.36 119.26 120.30 1xgk h ALA 25 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xgk h ALA 25 Cb 0.88 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1xgk h ALA 25 CO 0.08 -0.22 0.29 0.00 0.00 0.00 0.00 179.25 179.40 1xgk h ALA 26 N 1.15 0.72 -0.04 0.00 0.00 -1.19 -1.28 119.26 118.63 1xgk h ALA 26 Ca 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xgk h ALA 26 Cb 0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1xgk h ALA 26 CO -0.07 0.26 0.03 0.00 0.00 0.00 0.00 179.25 179.47 1xgk h ALA 27 N 1.13 1.90 -0.65 0.00 0.00 -1.12 -1.45 119.26 119.07 1xgk h ALA 27 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1xgk h ALA 27 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xgk h ALA 27 CO -0.03 -0.05 0.00 1.33 0.00 0.00 0.00 179.25 180.50 1xgk n VAL 28 N -4.33 0.87 0.00 0.00 0.24 -0.92 -4.95 118.33 109.24 1xgk n VAL 28 Ca -0.02 -0.86 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 1xgk n VAL 28 Cb 0.13 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.93 1xgk n VAL 28 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xgk n GLY 29 N 1.52 0.58 3.76 7.63 0.00 -0.55 -4.96 105.19 113.17 1xgk n GLY 29 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.84 1xgk n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xgk s HIS 30 N -2.00 3.58 0.16 1.61 4.02 -0.51 -4.68 115.29 117.46 1xgk s HIS 30 Ca 0.00 1.72 -0.12 0.00 1.02 0.00 0.00 55.06 57.68 1xgk s HIS 30 Cb 0.00 -3.23 -0.07 0.00 -1.02 0.00 0.00 32.58 28.27 1xgk s HIS 30 CO 0.00 -0.44 0.52 -1.01 1.02 0.00 0.00 174.74 174.83 1xgk s HIS 31 N -1.24 3.55 -0.03 1.40 0.09 -1.26 -4.13 115.29 113.68 1xgk s HIS 31 Ca 0.46 0.96 0.04 0.00 -0.00 0.00 0.00 55.06 56.52 1xgk s HIS 31 Cb -0.30 -2.30 -0.00 0.00 -0.00 0.00 0.00 32.58 29.98 1xgk s HIS 31 CO 0.38 0.40 -0.15 0.08 -0.00 0.00 0.00 174.74 175.46 1xgk s VAL 32 N -1.55 1.20 -0.26 -0.90 1.01 0.05 -1.14 120.40 118.81 1xgk s VAL 32 Ca 0.40 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1xgk s VAL 32 Cb -0.14 -1.03 0.05 0.00 0.00 0.00 0.00 36.38 35.26 1xgk s VAL 32 CO 0.20 0.35 -0.07 -0.13 0.00 0.00 0.00 175.10 175.44 1xgk s ARG 33 N -0.05 2.47 -0.05 2.72 0.52 -0.35 -0.80 118.95 123.42 1xgk s ARG 33 Ca -0.01 -1.21 0.04 0.00 -0.52 0.00 0.00 55.73 54.04 1xgk s ARG 33 Cb -0.09 -2.97 -0.00 0.00 0.52 0.00 0.00 34.95 32.41 1xgk s ARG 33 CO 0.01 -0.52 -0.18 0.00 0.02 0.00 0.00 175.30 174.62 1xgk s ALA 34 N 1.21 1.63 0.11 2.13 0.00 -0.17 -0.60 121.76 126.07 1xgk s ALA 34 Ca -0.05 -0.73 -0.22 0.00 0.00 0.00 0.00 51.96 50.95 1xgk s ALA 34 Cb -0.19 -0.55 -0.07 0.00 0.00 0.00 0.00 23.12 22.31 1xgk s ALA 34 CO -0.04 0.28 0.67 -1.14 0.00 0.00 0.00 175.76 175.53 1xgk s GLN 35 N 0.08 4.39 0.02 0.00 -0.44 -0.80 -0.69 119.66 122.23 1xgk s GLN 35 Ca -0.06 0.94 0.00 0.00 -2.50 0.00 0.00 55.36 53.75 1xgk s GLN 35 Cb -0.13 -3.26 -0.02 0.00 -1.64 0.00 0.00 33.01 27.96 1xgk s GLN 35 CO 0.03 0.57 -0.04 0.14 0.50 0.00 0.00 175.29 176.50 1xgk s VAL 36 N -1.01 0.18 0.13 1.34 -7.23 -0.75 -4.21 120.40 108.86 1xgk s VAL 36 Ca 0.33 -0.95 -0.15 0.00 -1.81 0.00 0.00 61.98 59.40 1xgk s VAL 36 Cb -0.21 -0.33 -0.00 0.00 0.56 0.00 0.00 36.38 36.40 1xgk s VAL 36 CO 0.22 -0.49 1.64 -0.74 -0.31 0.00 0.00 175.10 175.42 1xgk h HIS 37 N 4.61 0.70 -3.34 2.82 2.76 -1.87 -1.33 115.15 119.50 1xgk h HIS 37 Ca -0.33 -0.08 -0.11 0.00 -2.20 0.00 0.00 60.37 57.65 1xgk h HIS 37 Cb 1.21 -0.20 -0.19 0.00 1.55 0.00 0.00 27.41 29.79 1xgk h HIS 37 CO 0.66 0.66 -0.34 -1.54 -1.30 0.00 0.00 177.93 176.06 1xgk s SER 38 N -6.02 -0.07 0.17 3.26 1.04 -1.26 -2.93 113.70 107.89 1xgk s SER 38 Ca -0.13 -0.17 0.23 0.00 0.48 0.00 0.00 55.95 56.36 1xgk s SER 38 Cb 0.10 0.30 0.90 0.00 0.10 0.00 0.00 66.02 67.42 1xgk s SER 38 CO 0.77 -0.51 1.71 0.18 0.98 0.00 0.00 173.24 176.37 1xgk n LEU 39 N 0.95 0.50 -4.87 2.42 4.77 -1.26 -4.80 117.00 114.71 1xgk n LEU 39 Ca -0.20 0.59 -0.31 0.00 -0.03 0.00 0.00 56.01 56.06 1xgk n LEU 39 Cb 0.58 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1xgk n LEU 39 CO 0.22 -0.33 0.70 -1.59 -1.33 0.00 0.00 177.39 175.06 1xgk s LYS 40 N -3.16 3.67 0.00 3.23 -2.85 -1.26 -3.78 119.74 115.59 1xgk s LYS 40 Ca 0.08 0.78 0.00 0.00 -1.00 0.00 0.00 55.97 55.82 1xgk s LYS 40 Cb 0.11 -2.10 0.00 0.00 -2.06 0.00 0.00 37.83 33.78 1xgk s LYS 40 CO 0.44 -0.50 0.00 0.41 0.10 0.00 0.00 175.35 175.80 1xgk n GLY 41 N -2.50 3.26 0.19 0.59 0.00 -1.26 -4.59 105.19 100.87 1xgk n GLY 41 Ca 0.06 -1.66 -0.05 0.00 0.00 0.00 0.00 46.02 44.37 1xgk n GLY 41 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xgk h LEU 42 N 0.00 0.25 0.12 0.99 3.38 -1.98 0.14 115.31 118.21 1xgk h LEU 42 Ca 0.00 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1xgk h LEU 42 Cb 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xgk h LEU 42 CO 0.00 0.18 -0.06 0.40 0.09 0.00 0.00 178.44 179.05 1xgk h ILE 43 N 0.39 1.04 -0.35 1.22 1.08 -1.93 -0.47 117.51 118.48 1xgk h ILE 43 Ca 0.20 -0.69 0.06 0.00 -0.39 0.00 0.00 64.86 64.04 1xgk h ILE 43 Cb 0.16 1.47 -0.05 0.00 -3.07 0.00 0.00 36.82 35.32 1xgk h ILE 43 CO -0.17 0.16 0.04 0.00 -0.69 0.00 0.00 178.15 177.49 1xgk h ALA 44 N 0.33 0.36 -0.38 1.87 0.00 -1.78 0.27 119.26 119.92 1xgk h ALA 44 Ca -0.02 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1xgk h ALA 44 Cb 0.40 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1xgk h ALA 44 CO 0.03 -0.36 0.05 0.93 0.00 0.00 0.00 179.25 179.90 1xgk h GLU 45 N 0.16 0.58 -0.05 0.00 5.08 -0.96 0.40 114.58 119.78 1xgk h GLU 45 Ca 0.17 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1xgk h GLU 45 Cb 0.21 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1xgk h GLU 45 CO -0.24 0.56 -0.01 1.49 -1.00 0.00 0.00 179.01 179.81 1xgk h GLU 46 N 0.56 0.09 -0.44 2.33 4.81 0.06 -2.95 114.58 119.04 1xgk h GLU 46 Ca 0.12 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 1xgk h GLU 46 Cb 0.28 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1xgk h GLU 46 CO 0.00 0.42 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.54 1xgk h LEU 47 N -0.24 0.76 -1.89 1.64 3.38 -0.22 -2.52 115.31 116.22 1xgk h LEU 47 Ca 0.01 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1xgk h LEU 47 Cb 0.39 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1xgk h LEU 47 CO 0.00 0.89 0.12 -0.61 0.09 0.00 0.00 178.44 178.93 1xgk h GLN 48 N 0.71 0.14 0.00 1.13 4.15 -0.92 -1.52 115.11 118.80 1xgk h GLN 48 Ca 0.12 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1xgk h GLN 48 Cb 0.57 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1xgk h GLN 48 CO 0.03 0.09 0.00 0.00 -1.93 0.00 0.00 178.83 177.03 1xgk n ALA 49 N -2.54 2.37 -2.63 3.38 0.00 -0.95 -4.69 120.51 115.46 1xgk n ALA 49 Ca 0.00 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 1xgk n ALA 49 Cb 0.16 -1.46 -0.04 0.00 0.00 0.00 0.00 19.45 18.11 1xgk n ALA 49 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xgk s ILE 50 N -2.70 4.74 0.22 0.00 1.01 -0.57 -4.96 121.20 118.95 1xgk s ILE 50 Ca 0.23 1.42 -0.17 0.00 0.00 0.00 0.00 60.65 62.13 1xgk s ILE 50 Cb 0.19 -4.20 0.23 0.00 0.01 0.00 0.00 42.46 38.69 1xgk s ILE 50 CO 0.45 -0.25 1.57 -0.65 0.00 0.00 0.00 174.94 176.06 1xgk h PRO 51 N 7.98 -0.04 0.00 2.79 0.11 -1.87 -0.80 132.00 140.16 1xgk h PRO 51 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1xgk h PRO 51 Cb 1.09 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xgk h PRO 51 CO 0.91 -0.03 0.00 0.09 -0.21 0.00 0.00 178.00 178.76 1xgk n ASN 52 N -5.48 0.00 -4.70 -2.05 3.02 -1.26 -4.75 115.26 100.04 1xgk n ASN 52 Ca 0.09 -0.45 -0.35 0.00 -0.03 0.00 0.00 54.58 53.84 1xgk n ASN 52 Cb 0.40 -0.04 -0.09 0.00 -0.61 0.00 0.00 39.78 39.43 1xgk n ASN 52 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xgk s VAL 53 N -2.09 4.85 -0.10 2.41 1.01 -0.31 -0.77 120.40 125.41 1xgk s VAL 53 Ca 0.24 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.21 1xgk s VAL 53 Cb 0.12 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.38 1xgk s VAL 53 CO 0.21 0.53 -0.14 -0.89 0.00 0.00 0.00 175.10 174.81 1xgk s THR 54 N -0.25 1.38 0.01 3.92 2.01 0.02 -4.83 115.64 117.91 1xgk s THR 54 Ca 0.08 -0.57 -0.03 0.00 0.31 0.00 0.00 61.69 61.48 1xgk s THR 54 Cb -0.12 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 1xgk s THR 54 CO 0.01 0.42 0.21 -0.76 -0.69 0.00 0.00 174.62 173.81 1xgk s LEU 55 N 1.03 4.36 -0.25 4.42 1.43 -1.26 -1.00 118.68 127.42 1xgk s LEU 55 Ca -0.06 0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1xgk s LEU 55 Cb -0.15 -2.71 0.07 0.00 0.03 0.00 0.00 46.19 43.44 1xgk s LEU 55 CO -0.02 0.24 0.01 -0.36 0.23 0.00 0.00 176.35 176.45 1xgk s PHE 56 N -1.37 2.08 0.26 0.29 0.08 0.14 -4.92 117.98 114.54 1xgk s PHE 56 Ca 0.29 -1.69 -0.16 0.00 0.12 0.00 0.00 56.93 55.49 1xgk s PHE 56 Cb -0.13 -1.63 -0.08 0.00 -0.57 0.00 0.00 43.02 40.61 1xgk s PHE 56 CO 0.20 -0.78 0.71 1.14 -0.10 0.00 0.00 175.22 176.39 1xgk s GLN 57 N 1.50 4.09 0.00 0.44 0.00 -1.26 -1.80 119.66 122.62 1xgk s GLN 57 Ca 0.01 0.71 0.00 0.00 -0.00 0.00 0.00 55.36 56.08 1xgk s GLN 57 Cb -0.18 -2.66 0.00 0.00 0.00 0.00 0.00 33.01 30.17 1xgk s GLN 57 CO -0.11 0.28 0.00 0.41 0.00 0.00 0.00 175.29 175.87 1xgk n GLY 58 N 0.16 4.08 3.81 2.60 0.00 -0.50 -4.94 105.19 110.40 1xgk n GLY 58 Ca 0.00 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 1xgk n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xgk s PRO 59 N -2.74 4.33 0.01 1.61 0.04 -1.26 -4.27 135.00 132.72 1xgk s PRO 59 Ca 0.00 1.17 0.09 0.00 0.04 0.00 0.00 61.00 62.30 1xgk s PRO 59 Cb 0.00 -2.38 -0.23 0.00 0.04 0.00 0.00 34.50 31.93 1xgk s PRO 59 CO 0.00 0.07 0.85 -0.07 0.04 0.00 0.00 177.00 177.89 1xgk h LEU 60 N 2.31 0.06 -8.92 -3.56 3.38 -1.95 -3.41 115.31 103.21 1xgk h LEU 60 Ca -0.48 -0.09 -0.66 0.00 0.09 0.00 0.00 57.88 56.74 1xgk h LEU 60 Cb 1.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1xgk h LEU 60 CO 0.62 1.08 1.24 -0.11 0.09 0.00 0.00 178.44 181.36 1xgk n LEU 61 N -3.19 2.71 -3.78 1.67 7.94 -1.26 -1.49 117.00 119.61 1xgk n LEU 61 Ca -0.12 0.68 -0.25 0.00 -1.11 0.00 0.00 56.01 55.21 1xgk n LEU 61 Cb 1.02 -1.30 0.03 0.00 0.53 0.00 0.00 43.42 43.70 1xgk n LEU 61 CO 0.46 -0.45 0.03 0.59 -1.11 0.00 0.00 177.39 176.91 1xgk n ASN 62 N 8.26 -3.07 -3.18 1.96 3.02 -1.26 -4.92 115.26 116.06 1xgk n ASN 62 Ca 0.32 -0.78 -0.20 0.00 -0.03 0.00 0.00 54.58 53.88 1xgk n ASN 62 Cb 0.25 -4.08 -0.04 0.00 -0.61 0.00 0.00 39.78 35.30 1xgk n ASN 62 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1xgk n ASN 63 N -2.96 1.02 -0.24 6.41 2.85 -0.55 -4.93 115.26 116.86 1xgk n ASN 63 Ca -0.14 -2.99 0.09 0.00 -0.11 0.00 0.00 54.58 51.43 1xgk n ASN 63 Cb 0.61 -0.62 0.35 0.00 1.24 0.00 0.00 39.78 41.36 1xgk n ASN 63 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1xgk h VAL 64 N 1.46 0.94 -0.96 3.44 2.07 -1.92 -1.94 116.25 119.34 1xgk h VAL 64 Ca 0.10 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1xgk h VAL 64 Cb 0.90 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 1xgk h VAL 64 CO 0.52 0.14 0.62 -0.65 0.02 0.00 0.00 177.57 178.22 1xgk h PRO 65 N 0.75 1.06 -0.12 1.57 0.11 -1.97 0.14 132.00 133.54 1xgk h PRO 65 Ca 0.39 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.33 1xgk h PRO 65 Cb 0.48 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 1xgk h PRO 65 CO -0.16 0.70 -0.37 1.25 -0.21 0.00 0.00 178.00 179.22 1xgk h LEU 66 N 1.09 0.26 -0.29 2.35 5.85 -1.72 -1.43 115.31 121.42 1xgk h LEU 66 Ca 0.42 -0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.92 1xgk h LEU 66 Cb 0.23 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 1xgk h LEU 66 CO -0.17 0.61 -0.31 0.24 -0.34 0.00 0.00 178.44 178.47 1xgk h MET 67 N 0.22 0.72 -0.32 1.25 2.86 -0.92 -0.86 114.93 117.88 1xgk h MET 67 Ca 0.02 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1xgk h MET 67 Cb 0.76 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1xgk h MET 67 CO 0.06 1.01 0.20 -0.44 1.06 0.00 0.00 176.91 178.80 1xgk h ASP 68 N 0.47 0.38 -0.51 1.22 3.32 -0.53 -2.16 116.42 118.61 1xgk h ASP 68 Ca 0.04 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.09 1xgk h ASP 68 Cb 0.89 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 1xgk h ASP 68 CO 0.08 0.30 0.30 0.74 -1.72 0.00 0.00 179.24 178.93 1xgk h THR 69 N 0.43 1.04 -0.20 0.35 2.02 -1.20 -2.34 112.91 113.01 1xgk h THR 69 Ca 0.12 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.14 1xgk h THR 69 Cb -0.02 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 66.74 1xgk h THR 69 CO -0.02 0.11 -0.10 0.25 0.37 0.00 0.00 175.52 176.12 1xgk h LEU 70 N 0.59 -0.34 0.00 2.58 5.85 -0.76 -2.52 115.31 120.72 1xgk h LEU 70 Ca 0.21 0.08 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1xgk h LEU 70 Cb 0.03 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1xgk h LEU 70 CO -0.10 -0.13 0.00 0.49 -0.34 0.00 0.00 178.44 178.36 1xgk n PHE 71 N -5.26 0.00 -1.75 1.25 3.72 -0.85 -4.72 117.46 109.86 1xgk n PHE 71 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 1xgk n PHE 71 Cb 0.18 -0.35 -0.03 0.00 -0.94 0.00 0.00 39.48 38.34 1xgk n PHE 71 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1xgk s GLU 72 N -2.71 4.03 0.00 -1.08 2.12 -0.90 -1.57 118.70 118.60 1xgk s GLU 72 Ca 0.21 2.44 0.00 0.00 0.36 0.00 0.00 54.97 57.98 1xgk s GLU 72 Cb 0.17 -4.15 0.00 0.00 0.26 0.00 0.00 34.13 30.42 1xgk s GLU 72 CO 0.42 -1.06 0.00 0.41 -0.54 0.00 0.00 175.26 174.48 1xgk n GLY 73 N 4.59 0.78 3.86 -1.50 0.00 -1.26 -5.02 105.19 106.64 1xgk n GLY 73 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1xgk n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xgk s ALA 74 N -3.22 3.46 -0.04 4.61 0.00 -0.61 -4.69 121.76 121.28 1xgk s ALA 74 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1xgk s ALA 74 Cb 0.00 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 1xgk s ALA 74 CO 0.00 0.42 0.07 0.72 0.00 0.00 0.00 175.76 176.97 1xgk n HIS 75 N -0.04 0.00 -4.17 0.00 8.25 -0.49 -3.75 115.22 115.02 1xgk n HIS 75 Ca 0.01 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.32 1xgk n HIS 75 Cb 0.52 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.49 1xgk n HIS 75 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xgk s LEU 76 N -2.81 2.38 -0.07 2.41 1.43 -0.83 -0.01 118.68 121.17 1xgk s LEU 76 Ca -0.00 -0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 52.26 1xgk s LEU 76 Cb 0.02 -0.34 0.02 0.00 0.03 0.00 0.00 46.19 45.91 1xgk s LEU 76 CO 0.10 -0.22 0.20 0.00 0.23 0.00 0.00 176.35 176.66 1xgk s ALA 77 N -2.20 -0.49 -0.12 4.21 0.00 -0.76 -0.74 121.76 121.66 1xgk s ALA 77 Ca 0.04 0.53 -0.00 0.00 0.00 0.00 0.00 51.96 52.53 1xgk s ALA 77 Cb -0.04 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.80 1xgk s ALA 77 CO 0.01 -0.10 -0.10 0.12 0.00 0.00 0.00 175.76 175.68 1xgk s PHE 78 N 0.01 1.71 -0.16 0.00 2.19 -0.33 -0.68 117.98 120.72 1xgk s PHE 78 Ca -0.01 -0.89 0.01 0.00 0.33 0.00 0.00 56.93 56.37 1xgk s PHE 78 Cb -0.02 -1.35 0.02 0.00 -1.31 0.00 0.00 43.02 40.37 1xgk s PHE 78 CO 0.00 -0.55 -0.17 0.42 1.83 0.00 0.00 175.22 176.75 1xgk s ILE 79 N 1.59 1.82 -0.22 3.12 -1.09 0.53 -2.33 121.20 124.61 1xgk s ILE 79 Ca 0.04 -0.79 -0.02 0.00 -2.23 0.00 0.00 60.65 57.65 1xgk s ILE 79 Cb -0.13 -1.67 0.07 0.00 -1.58 0.00 0.00 42.46 39.15 1xgk s ILE 79 CO -0.08 0.50 0.02 0.21 -1.23 0.00 0.00 174.94 174.36 1xgk s ASN 80 N 1.35 3.30 0.67 3.58 3.04 -0.94 -0.64 114.94 125.30 1xgk s ASN 80 Ca 0.04 -1.02 0.03 0.00 0.04 0.00 0.00 52.86 51.95 1xgk s ASN 80 Cb -0.13 -0.78 0.11 0.00 -1.54 0.00 0.00 41.25 38.91 1xgk s ASN 80 CO -0.11 -0.30 0.93 0.42 -3.04 0.00 0.00 177.10 174.99 1xgk s THR 81 N 1.71 2.15 0.01 -5.21 -4.23 -1.26 -3.77 115.64 105.03 1xgk s THR 81 Ca -0.01 -0.73 -0.06 0.00 -1.18 0.00 0.00 61.69 59.71 1xgk s THR 81 Cb -0.18 -2.42 -0.00 0.00 1.34 0.00 0.00 72.50 71.24 1xgk s THR 81 CO -0.10 0.00 0.11 -0.89 -0.54 0.00 0.00 174.62 173.20 1xgk s THR 82 N -2.99 0.09 -0.84 3.99 2.01 -1.26 -5.05 115.64 111.60 1xgk s THR 82 Ca 0.65 -0.74 0.27 0.00 0.31 0.00 0.00 61.69 62.18 1xgk s THR 82 Cb -0.05 -0.42 0.22 0.00 0.01 0.00 0.00 72.50 72.25 1xgk s THR 82 CO 0.43 -0.41 1.75 -1.54 -0.69 0.00 0.00 174.62 174.16 1xgk n SER 83 N 1.44 0.49 -0.33 3.53 3.41 -1.26 -4.36 113.62 116.54 1xgk n SER 83 Ca -0.23 0.43 -0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1xgk n SER 83 Cb 0.55 -0.49 0.06 0.00 -0.26 0.00 0.00 64.21 64.07 1xgk n SER 83 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1xgk h GLN 84 N 0.00 -0.03 0.00 4.33 1.08 -2.02 0.79 115.11 119.26 1xgk h GLN 84 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1xgk h GLN 84 Cb 0.64 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1xgk h GLN 84 CO 0.00 -0.02 0.00 0.00 -0.95 0.00 0.00 178.83 177.86 1xgk n ALA 85 N -3.42 2.38 -0.21 3.87 0.00 -1.26 -5.02 120.51 116.85 1xgk n ALA 85 Ca 0.10 -0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.45 1xgk n ALA 85 Cb 0.41 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.38 1xgk n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xgk n GLY 86 N 1.31 -2.10 3.11 0.00 0.00 0.27 -4.93 105.19 102.85 1xgk n GLY 86 Ca 0.11 -1.44 -0.21 0.00 0.00 0.00 0.00 46.02 44.48 1xgk n GLY 86 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xgk n ASP 87 N -2.73 -5.92 0.06 1.61 8.00 -1.26 -4.89 116.55 111.42 1xgk n ASP 87 Ca -0.01 -0.35 0.02 0.00 0.71 0.00 0.00 54.79 55.17 1xgk n ASP 87 Cb 0.10 -4.67 0.39 0.00 -0.02 0.00 0.00 41.12 36.92 1xgk n ASP 87 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1xgk h GLU 88 N -1.74 0.39 -0.35 -1.24 4.81 -1.87 -0.89 114.58 113.68 1xgk h GLU 88 Ca -0.51 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 58.52 1xgk h GLU 88 Cb 1.34 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 1xgk h GLU 88 CO 0.53 0.40 -0.31 0.82 -0.73 0.00 0.00 179.01 179.71 1xgk h ILE 89 N 0.38 1.28 -0.36 2.32 2.04 -1.90 -0.77 117.51 120.50 1xgk h ILE 89 Ca 0.09 -1.48 -0.15 0.00 1.00 0.00 0.00 64.86 64.32 1xgk h ILE 89 Cb 0.22 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1xgk h ILE 89 CO 0.00 0.49 -0.36 0.00 0.00 0.00 0.00 178.15 178.28 1xgk h ALA 90 N 0.75 0.67 -0.45 1.87 0.00 -1.87 -1.98 119.26 118.26 1xgk h ALA 90 Ca 0.06 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 1xgk h ALA 90 Cb 0.89 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1xgk h ALA 90 CO 0.08 0.67 0.02 0.82 0.00 0.00 0.00 179.25 180.84 1xgk h ILE 91 N 0.70 1.26 -0.90 0.00 2.04 -1.14 -0.29 117.51 119.19 1xgk h ILE 91 Ca 0.06 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1xgk h ILE 91 Cb 0.93 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 1xgk h ILE 91 CO 0.09 0.35 0.50 1.23 0.00 0.00 0.00 178.15 180.32 1xgk h GLY 92 N 0.64 1.33 0.93 5.37 0.00 -0.98 0.29 103.07 110.65 1xgk h GLY 92 Ca 0.13 -0.59 -0.15 0.00 0.00 0.00 0.00 47.33 46.72 1xgk h GLY 92 CO 0.02 0.56 -0.52 0.50 0.00 0.00 0.00 176.54 177.10 1xgk h LYS 93 N 1.25 0.58 -0.70 4.80 1.57 -1.24 -2.28 116.57 120.55 1xgk h LYS 93 Ca 0.32 -0.45 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1xgk h LYS 93 Cb 0.00 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 1xgk h LYS 93 CO -0.05 1.08 0.43 -0.44 -0.57 0.00 0.00 179.45 179.89 1xgk h ASP 94 N 0.22 0.68 -0.33 0.86 3.45 -0.76 -0.10 116.42 120.43 1xgk h ASP 94 Ca -0.03 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.41 1xgk h ASP 94 Cb 1.16 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.78 1xgk h ASP 94 CO 0.11 0.46 0.07 -0.07 -1.57 0.00 0.00 179.24 178.24 1xgk h LEU 95 N 0.81 0.51 -0.31 1.55 3.38 -0.94 -0.92 115.31 119.40 1xgk h LEU 95 Ca 0.29 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.04 1xgk h LEU 95 Cb 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1xgk h LEU 95 CO -0.14 0.61 0.16 0.00 0.09 0.00 0.00 178.44 179.17 1xgk h ALA 96 N 0.91 0.38 -0.77 1.53 0.00 -0.99 0.22 119.26 120.53 1xgk h ALA 96 Ca 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xgk h ALA 96 Cb 0.31 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1xgk h ALA 96 CO 0.00 -0.22 0.47 -0.44 0.00 0.00 0.00 179.25 179.07 1xgk h ASP 97 N 0.33 0.92 -0.87 0.00 3.32 -0.93 -1.59 116.42 117.61 1xgk h ASP 97 Ca 0.13 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1xgk h ASP 97 Cb 0.03 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 1xgk h ASP 97 CO -0.08 0.71 0.46 0.00 -1.72 0.00 0.00 179.24 178.61 1xgk h ALA 98 N 1.25 1.11 -0.57 3.45 0.00 -0.50 0.59 119.26 124.60 1xgk h ALA 98 Ca 0.28 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1xgk h ALA 98 Cb -0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1xgk h ALA 98 CO -0.05 0.64 -0.06 0.00 0.00 0.00 0.00 179.25 179.77 1xgk h ALA 99 N 1.25 0.82 -0.18 0.00 0.00 -0.61 -1.76 119.26 118.79 1xgk h ALA 99 Ca 0.30 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1xgk h ALA 99 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xgk h ALA 99 CO -0.05 0.67 0.04 -0.22 0.00 0.00 0.00 179.25 179.69 1xgk h LYS 100 N 0.93 0.28 -0.67 0.00 1.63 -0.81 -2.87 116.57 115.05 1xgk h LYS 100 Ca 0.15 -0.07 0.07 0.00 -0.85 0.00 0.00 60.65 59.95 1xgk h LYS 100 Cb 0.62 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.17 1xgk h LYS 100 CO 0.04 0.42 0.44 0.00 -3.45 0.00 0.00 179.45 176.91 1xgk h ARG 101 N 0.10 0.64 -0.05 1.90 3.08 -0.72 -0.45 114.38 118.87 1xgk h ARG 101 Ca 0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1xgk h ARG 101 Cb 0.27 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1xgk h ARG 101 CO 0.00 0.43 -0.02 0.00 -1.07 0.00 0.00 179.97 179.31 1xgk h ALA 102 N 1.64 1.88 0.00 0.04 0.00 -1.09 -3.46 119.26 118.27 1xgk h ALA 102 Ca 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1xgk h ALA 102 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xgk h ALA 102 CO -0.09 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1xgk n GLY 103 N -1.39 1.94 0.17 0.00 0.00 -0.18 -4.75 105.19 100.97 1xgk n GLY 103 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1xgk n GLY 103 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xgk n THR 104 N -1.68 0.00 -2.58 2.61 -2.24 -1.26 -4.86 114.28 104.27 1xgk n THR 104 Ca 0.00 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.26 1xgk n THR 104 Cb 0.00 0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 1xgk n THR 104 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xgk s ILE 105 N -2.73 4.29 -0.23 2.28 -1.09 -1.25 -4.09 121.20 118.39 1xgk s ILE 105 Ca 0.17 1.41 0.21 0.00 -2.23 0.00 0.00 60.65 60.20 1xgk s ILE 105 Cb 0.18 -4.46 0.01 0.00 -1.58 0.00 0.00 42.46 36.61 1xgk s ILE 105 CO 0.64 -0.74 1.08 1.56 -1.23 0.00 0.00 174.94 176.25 1xgk h GLN 106 N 8.90 0.00 -2.22 2.79 4.20 -0.76 -3.44 115.11 124.58 1xgk h GLN 106 Ca -0.23 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.44 1xgk h GLN 106 Cb 1.07 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 28.60 1xgk h GLN 106 CO 1.08 0.11 -0.31 -1.58 -0.67 0.00 0.00 178.83 177.46 1xgk s HIS 107 N -3.21 -1.00 -0.28 2.96 5.04 -1.23 -4.25 115.29 113.33 1xgk s HIS 107 Ca 0.00 1.70 -0.03 0.00 -1.54 0.00 0.00 55.06 55.19 1xgk s HIS 107 Cb 0.09 0.44 0.03 0.00 0.04 0.00 0.00 32.58 33.17 1xgk s HIS 107 CO 0.78 -0.58 -0.01 -0.47 -2.34 0.00 0.00 174.74 172.12 1xgk s TYR 108 N 2.70 3.14 -0.26 3.88 6.14 -0.06 -1.83 117.35 131.06 1xgk s TYR 108 Ca -0.00 -1.49 -0.10 0.00 0.64 0.00 0.00 57.07 56.12 1xgk s TYR 108 Cb -0.12 -2.13 -0.05 0.00 0.42 0.00 0.00 41.96 40.08 1xgk s TYR 108 CO -0.15 -0.71 0.15 0.42 0.64 0.00 0.00 175.55 175.90 1xgk s ILE 109 N 1.35 5.11 -0.12 3.14 1.01 0.14 -0.96 121.20 130.88 1xgk s ILE 109 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.75 1xgk s ILE 109 Cb -0.18 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.87 1xgk s ILE 109 CO -0.02 0.31 -0.13 -0.47 0.00 0.00 0.00 174.94 174.63 1xgk s TYR 110 N 1.45 2.81 -0.57 3.97 5.04 -0.24 -0.35 117.35 129.45 1xgk s TYR 110 Ca 0.07 -0.53 -0.25 0.00 -2.44 0.00 0.00 57.07 53.91 1xgk s TYR 110 Cb -0.15 -1.81 0.04 0.00 0.35 0.00 0.00 41.96 40.39 1xgk s TYR 110 CO 0.07 -0.13 1.03 0.45 -1.34 0.00 0.00 175.55 175.63 1xgk s SER 111 N 0.15 6.35 0.44 4.32 0.15 0.19 -1.81 113.70 123.50 1xgk s SER 111 Ca -0.07 -0.27 0.07 0.00 0.70 0.00 0.00 55.95 56.39 1xgk s SER 111 Cb -0.15 -2.47 -0.01 0.00 -1.71 0.00 0.00 66.02 61.68 1xgk s SER 111 CO 0.05 -1.34 0.36 -0.55 1.20 0.00 0.00 173.24 172.96 1xgk s SER 112 N 2.96 4.87 0.13 5.45 0.15 0.04 -4.74 113.70 122.57 1xgk s SER 112 Ca 0.33 -0.89 -0.08 0.00 0.70 0.00 0.00 55.95 56.01 1xgk s SER 112 Cb -0.11 -0.35 -0.01 0.00 -1.71 0.00 0.00 66.02 63.84 1xgk s SER 112 CO 0.20 -0.74 0.23 -0.04 1.20 0.00 0.00 173.24 174.09 1xgk s MET 113 N -4.14 1.00 0.66 5.44 -1.94 -1.26 -4.27 119.30 114.79 1xgk s MET 113 Ca 0.45 -1.10 -0.11 0.00 -1.71 0.00 0.00 55.69 53.22 1xgk s MET 113 Cb -0.02 0.35 -0.01 0.00 2.01 0.00 0.00 34.83 37.16 1xgk s MET 113 CO 0.26 -0.34 1.05 -2.14 -0.01 0.00 0.00 175.02 173.84 1xgk s PRO 114 N -3.92 3.24 -0.45 2.03 0.02 -1.26 -3.50 135.00 131.15 1xgk s PRO 114 Ca 0.12 0.87 -0.02 0.00 0.02 0.00 0.00 61.00 61.99 1xgk s PRO 114 Cb 0.04 -2.03 0.12 0.00 0.02 0.00 0.00 34.50 32.65 1xgk s PRO 114 CO -0.05 -0.86 0.24 0.34 -0.33 0.00 0.00 177.00 176.34 1xgk s ASP 115 N -3.96 5.14 0.59 2.53 -1.08 -1.26 -2.97 116.67 115.66 1xgk s ASP 115 Ca 0.57 -2.27 0.29 0.00 -0.52 0.00 0.00 52.55 50.62 1xgk s ASP 115 Cb -0.13 -1.80 1.78 0.00 -1.46 0.00 0.00 42.92 41.31 1xgk s ASP 115 CO 0.54 -0.47 2.23 0.45 0.52 0.00 0.00 175.17 178.44 1xgk h HIS 116 N 7.70 0.00 0.00 -5.34 3.86 -1.90 -2.51 115.15 116.96 1xgk h HIS 116 Ca -0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 1xgk h HIS 116 Cb 1.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.49 1xgk h HIS 116 CO 0.57 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 178.23 1xgk n SER 117 N -3.87 0.00 -0.07 2.45 3.41 -1.22 -1.83 113.62 112.49 1xgk n SER 117 Ca -0.02 0.20 0.11 0.00 -0.26 0.00 0.00 58.87 58.90 1xgk n SER 117 Cb 0.12 -0.32 0.14 0.00 -0.26 0.00 0.00 64.21 63.89 1xgk n SER 117 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xgk n LEU 118 N -1.32 0.82 0.00 1.04 4.77 -0.95 -4.39 117.00 116.99 1xgk n LEU 118 Ca 0.04 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1xgk n LEU 118 Cb 0.08 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1xgk n LEU 118 CO 0.07 0.19 0.29 -1.22 -1.33 0.00 0.00 177.39 175.39 1xgk n TYR 119 N -1.29 0.00 -0.66 -1.77 4.01 -0.76 -5.10 117.16 111.59 1xgk n TYR 119 Ca 0.06 -0.11 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1xgk n TYR 119 Cb 0.34 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 1xgk n TYR 119 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xgk n GLY 120 N -0.11 -1.18 1.83 2.72 0.00 -1.22 -4.98 105.19 102.24 1xgk n GLY 120 Ca 0.00 -0.98 -0.05 0.00 0.00 0.00 0.00 46.02 44.99 1xgk n GLY 120 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xgk n PRO 121 N -0.03 1.23 -4.30 1.61 -0.04 -1.26 -4.69 135.00 127.53 1xgk n PRO 121 Ca 0.00 -0.40 -0.27 0.00 -0.04 0.00 0.00 63.50 62.79 1xgk n PRO 121 Cb 0.00 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 31.88 1xgk n PRO 121 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1xgk s TRP 122 N 0.82 2.61 0.52 0.54 0.51 -1.26 -5.11 118.94 117.57 1xgk s TRP 122 Ca 0.27 -0.23 -0.16 0.00 -2.12 0.00 0.00 56.10 53.86 1xgk s TRP 122 Cb 0.13 -1.29 -0.08 0.00 -0.81 0.00 0.00 33.47 31.42 1xgk s TRP 122 CO 0.00 0.49 0.99 -1.25 -0.51 0.00 0.00 176.95 176.67 1xgk s PRO 123 N -2.72 3.92 0.12 4.98 0.04 -1.26 -3.37 135.00 136.72 1xgk s PRO 123 Ca 0.24 0.96 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 1xgk s PRO 123 Cb -0.09 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.26 1xgk s PRO 123 CO 0.14 -0.29 0.98 0.00 0.04 0.00 0.00 177.00 177.88 1xgk s ALA 124 N -2.64 3.26 -0.32 8.56 0.00 -1.26 -4.03 121.76 125.34 1xgk s ALA 124 Ca 0.59 0.61 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 1xgk s ALA 124 Cb -0.10 -3.29 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1xgk s ALA 124 CO 0.32 -0.06 1.25 0.08 0.00 0.00 0.00 175.76 177.36 1xgk s VAL 125 N -0.02 4.20 0.40 0.00 1.01 -1.26 -4.92 120.40 119.81 1xgk s VAL 125 Ca 0.47 1.35 0.25 0.00 0.00 0.00 0.00 61.98 64.05 1xgk s VAL 125 Cb -0.24 -4.24 0.41 0.00 0.00 0.00 0.00 36.38 32.31 1xgk s VAL 125 CO 0.30 -0.53 1.60 1.55 0.00 0.00 0.00 175.10 178.03 1xgk h PRO 126 N 9.14 0.07 -0.33 2.72 0.13 -1.88 0.76 132.00 142.61 1xgk h PRO 126 Ca -0.25 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1xgk h PRO 126 Cb 1.09 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1xgk h PRO 126 CO 1.04 0.05 0.00 -1.33 -0.23 0.00 0.00 178.00 177.53 1xgk n MET 127 N -4.97 2.23 -0.04 0.86 2.81 -1.26 -4.43 117.12 112.31 1xgk n MET 127 Ca 0.37 -1.86 -0.10 0.00 -1.81 0.00 0.00 57.70 54.30 1xgk n MET 127 Cb 1.34 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 32.35 1xgk n MET 127 CO 0.00 0.00 0.00 0.91 1.51 0.00 0.00 175.97 178.39 1xgk n TRP 128 N 1.07 0.00 -0.31 2.03 8.01 0.15 -4.74 117.44 123.66 1xgk n TRP 128 Ca 0.18 0.00 0.14 0.00 -1.31 0.00 0.00 57.50 56.51 1xgk n TRP 128 Cb 0.50 -0.35 0.31 0.00 -2.01 0.00 0.00 31.31 29.77 1xgk n TRP 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1xgk h ALA 129 N -0.42 1.46 -0.90 6.99 0.00 -1.15 -0.60 119.26 124.65 1xgk h ALA 129 Ca -0.20 0.16 0.14 0.00 0.00 0.00 0.00 54.91 55.01 1xgk h ALA 129 Cb 1.00 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 1xgk h ALA 129 CO -0.12 -0.35 0.58 -1.35 0.00 0.00 0.00 179.25 178.00 1xgk h PRO 130 N 0.39 0.72 -0.27 0.00 0.11 -1.83 -1.09 132.00 130.02 1xgk h PRO 130 Ca 0.57 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.59 1xgk h PRO 130 Cb 1.09 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1xgk h PRO 130 CO -0.54 0.47 -0.04 0.87 -0.21 0.00 0.00 178.00 178.56 1xgk h LYS 131 N 0.74 0.42 -0.03 1.05 1.57 -1.39 -1.92 116.57 117.00 1xgk h LYS 131 Ca 0.45 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 59.03 1xgk h LYS 131 Cb 0.67 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1xgk h LYS 131 CO -0.21 0.48 -0.47 0.35 -0.57 0.00 0.00 179.45 179.03 1xgk h PHE 132 N 0.40 0.08 -0.50 -1.35 3.57 -1.21 -0.81 116.94 117.11 1xgk h PHE 132 Ca 0.09 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 1xgk h PHE 132 Cb 0.34 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1xgk h PHE 132 CO 0.01 0.53 0.04 1.15 -2.23 0.00 0.00 178.31 177.81 1xgk h THR 133 N 0.05 1.26 -0.71 4.41 2.02 -1.16 -1.70 112.91 117.08 1xgk h THR 133 Ca 0.00 -1.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.11 1xgk h THR 133 Cb 0.86 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1xgk h THR 133 CO 0.06 0.36 0.17 0.58 0.37 0.00 0.00 175.52 177.06 1xgk h VAL 134 N 0.73 1.26 -0.25 3.16 2.07 -1.08 -2.26 116.25 119.88 1xgk h VAL 134 Ca 0.15 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.73 1xgk h VAL 134 Cb 0.45 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1xgk h VAL 134 CO 0.02 0.37 0.04 -0.08 0.02 0.00 0.00 177.57 177.94 1xgk h GLU 135 N 1.07 0.13 -0.93 1.57 4.81 -0.82 0.20 114.58 120.60 1xgk h GLU 135 Ca 0.22 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1xgk h GLU 135 Cb 0.38 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 1xgk h GLU 135 CO 0.00 0.08 0.61 -0.91 -0.73 0.00 0.00 179.01 178.07 1xgk h ASN 136 N 0.13 1.02 -0.29 1.04 -0.26 -1.09 -0.23 115.58 115.90 1xgk h ASN 136 Ca 0.11 -0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.78 1xgk h ASN 136 Cb 0.12 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 1xgk h ASN 136 CO -0.16 0.71 -0.07 0.22 -1.06 0.00 0.00 177.43 177.06 1xgk h TYR 137 N 1.18 0.62 -0.91 1.19 5.03 -0.77 -3.11 116.97 120.21 1xgk h TYR 137 Ca 0.36 -0.14 -0.00 0.00 2.58 0.00 0.00 58.73 61.53 1xgk h TYR 137 Cb -0.02 -0.15 -0.04 0.00 1.55 0.00 0.00 36.73 38.06 1xgk h TYR 137 CO -0.00 0.76 0.56 0.28 -1.32 0.00 0.00 178.16 178.44 1xgk h VAL 138 N 0.31 1.25 -0.38 1.81 2.07 -0.02 -2.39 116.25 118.90 1xgk h VAL 138 Ca 0.07 -0.52 0.11 0.00 0.82 0.00 0.00 66.70 67.18 1xgk h VAL 138 Cb 0.56 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1xgk h VAL 138 CO 0.03 0.26 0.35 0.03 0.02 0.00 0.00 177.57 178.25 1xgk h ARG 139 N 1.25 0.00 -0.03 1.57 3.08 -0.99 -1.03 114.38 118.23 1xgk h ARG 139 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1xgk h ARG 139 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1xgk h ARG 139 CO -0.06 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.88 1xgk n GLN 140 N -3.98 1.72 -3.20 0.04 6.02 -0.90 -4.88 117.38 112.20 1xgk n GLN 140 Ca 0.06 -1.05 -0.32 0.00 -0.01 0.00 0.00 57.00 55.68 1xgk n GLN 140 Cb 0.52 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 30.26 1xgk n GLN 140 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xgk s LEU 141 N -1.96 4.07 0.00 1.08 1.43 -0.39 -4.97 118.68 117.93 1xgk s LEU 141 Ca 0.37 1.13 0.10 0.00 -1.03 0.00 0.00 54.13 54.70 1xgk s LEU 141 Cb 0.21 -3.93 0.51 0.00 0.03 0.00 0.00 46.19 43.01 1xgk s LEU 141 CO 0.33 -0.19 1.22 0.61 0.23 0.00 0.00 176.35 178.56 1xgk n GLY 142 N -0.42 -0.64 3.86 -3.19 0.00 -1.26 -4.78 105.19 98.76 1xgk n GLY 142 Ca 0.02 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1xgk n GLY 142 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1xgk s LEU 143 N -2.60 4.33 0.29 0.99 2.34 -1.26 -5.03 118.68 117.73 1xgk s LEU 143 Ca 0.09 0.91 -0.30 0.00 0.06 0.00 0.00 54.13 54.90 1xgk s LEU 143 Cb 0.07 -3.17 -0.11 0.00 -0.56 0.00 0.00 46.19 42.42 1xgk s LEU 143 CO 0.16 0.12 1.54 -2.84 -1.06 0.00 0.00 176.35 174.26 1xgk s PRO 144 N -2.03 4.17 0.04 1.48 0.02 -1.26 -4.90 135.00 132.53 1xgk s PRO 144 Ca 0.36 2.49 0.01 0.00 0.02 0.00 0.00 61.00 63.88 1xgk s PRO 144 Cb -0.14 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.31 1xgk s PRO 144 CO 0.19 -0.56 -0.05 -1.54 -0.33 0.00 0.00 177.00 174.71 1xgk s SER 145 N 0.40 0.60 0.02 2.53 1.04 -1.26 -0.88 113.70 116.15 1xgk s SER 145 Ca 0.61 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 56.38 1xgk s SER 145 Cb -0.46 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.74 1xgk s SER 145 CO 0.48 -0.34 -0.05 -0.89 0.98 0.00 0.00 173.24 173.41 1xgk s THR 146 N -2.15 0.38 -0.15 2.02 2.01 -0.14 -0.30 115.64 117.31 1xgk s THR 146 Ca -0.06 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.26 1xgk s THR 146 Cb -0.05 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 72.06 1xgk s THR 146 CO -0.03 -0.22 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.12 1xgk s PHE 147 N -0.88 2.65 -0.11 4.92 0.08 -0.13 -1.08 117.98 123.44 1xgk s PHE 147 Ca -0.06 -1.44 -0.03 0.00 0.12 0.00 0.00 56.93 55.52 1xgk s PHE 147 Cb -0.07 -1.83 -0.03 0.00 -0.57 0.00 0.00 43.02 40.52 1xgk s PHE 147 CO -0.00 -0.69 0.02 0.14 -0.10 0.00 0.00 175.22 174.59 1xgk s VAL 148 N 1.04 4.43 -0.32 -0.44 -7.23 -0.75 -0.24 120.40 116.89 1xgk s VAL 148 Ca -0.02 -0.19 -0.04 0.00 -1.81 0.00 0.00 61.98 59.92 1xgk s VAL 148 Cb -0.14 -2.89 0.05 0.00 0.56 0.00 0.00 36.38 33.95 1xgk s VAL 148 CO -0.07 0.58 0.06 -0.31 -0.31 0.00 0.00 175.10 175.05 1xgk s TYR 149 N -0.65 3.27 0.14 2.82 2.02 0.72 -0.78 117.35 124.89 1xgk s TYR 149 Ca 0.11 -1.65 -0.30 0.00 -0.37 0.00 0.00 57.07 54.85 1xgk s TYR 149 Cb -0.12 -2.23 -0.07 0.00 -0.40 0.00 0.00 41.96 39.15 1xgk s TYR 149 CO 0.02 -0.77 1.06 0.00 -1.57 0.00 0.00 175.55 174.29 1xgk s ALA 150 N 1.33 3.33 1.01 3.71 0.00 -1.26 0.35 121.76 130.22 1xgk s ALA 150 Ca -0.03 0.73 -0.17 0.00 0.00 0.00 0.00 51.96 52.49 1xgk s ALA 150 Cb -0.20 -3.34 0.22 0.00 0.00 0.00 0.00 23.12 19.81 1xgk s ALA 150 CO 0.01 -0.17 1.30 0.20 0.00 0.00 0.00 175.76 177.11 1xgk s GLY 151 N 0.05 1.77 0.18 0.00 0.00 -0.76 -4.91 107.32 103.63 1xgk s GLY 151 Ca 0.49 -1.21 -0.31 0.00 0.00 0.00 0.00 44.72 43.70 1xgk s GLY 151 CO 0.33 -0.40 1.46 -0.42 0.00 0.00 0.00 173.10 174.06 1xgk s ILE 152 N -3.79 2.87 0.05 0.90 1.01 0.79 -4.55 121.20 118.49 1xgk s ILE 152 Ca 0.74 0.66 -0.31 0.00 0.00 0.00 0.00 60.65 61.75 1xgk s ILE 152 Cb -0.04 -3.42 -0.07 0.00 0.01 0.00 0.00 42.46 38.93 1xgk s ILE 152 CO 0.54 0.07 1.50 -0.31 0.00 0.00 0.00 174.94 176.74 1xgk s TYR 153 N 0.68 2.75 0.26 3.97 2.02 -1.26 -0.16 117.35 125.62 1xgk s TYR 153 Ca 0.64 0.64 -0.03 0.00 -0.37 0.00 0.00 57.07 57.95 1xgk s TYR 153 Cb -0.41 -3.79 0.41 0.00 -0.40 0.00 0.00 41.96 37.77 1xgk s TYR 153 CO 0.35 -3.03 1.85 -0.91 -1.57 0.00 0.00 175.55 172.24 1xgk h ASN 154 N 7.83 0.90 -0.12 2.29 2.35 -1.01 -1.99 115.58 125.84 1xgk h ASN 154 Ca -0.40 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.35 1xgk h ASN 154 Cb 1.19 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 1xgk h ASN 154 CO 0.91 0.55 0.03 -0.46 -1.65 0.00 0.00 177.43 176.80 1xgk n ASN 155 N -4.60 2.16 0.13 5.81 6.94 -1.26 -2.83 115.26 121.61 1xgk n ASN 155 Ca 0.15 -2.19 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 1xgk n ASN 155 Cb 0.23 -0.54 0.11 0.00 -2.36 0.00 0.00 39.78 37.22 1xgk n ASN 155 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 1xgk h ASN 156 N 0.56 0.00 -3.05 0.53 2.35 -1.72 -3.44 115.58 110.80 1xgk h ASN 156 Ca 0.03 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.25 1xgk h ASN 156 Cb 0.91 0.00 0.05 0.00 0.05 0.00 0.00 38.32 39.33 1xgk h ASN 156 CO 0.11 0.61 0.85 -0.36 -1.65 0.00 0.00 177.43 176.99 1xgk s PHE 157 N -3.21 3.01 0.06 1.19 0.08 -1.13 -4.80 117.98 113.18 1xgk s PHE 157 Ca 0.01 0.76 -0.25 0.00 0.12 0.00 0.00 56.93 57.57 1xgk s PHE 157 Cb 0.10 -3.92 0.06 0.00 -0.57 0.00 0.00 43.02 38.70 1xgk s PHE 157 CO 0.75 -3.24 0.60 -0.08 -0.10 0.00 0.00 175.22 173.15 1xgk s THR 158 N 0.66 0.01 -2.06 0.64 -1.32 -1.11 -4.96 115.64 107.50 1xgk s THR 158 Ca 0.66 -0.08 0.27 0.00 -1.21 0.00 0.00 61.69 61.33 1xgk s THR 158 Cb -0.44 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 69.91 1xgk s THR 158 CO 0.37 -0.05 1.60 -1.54 -2.21 0.00 0.00 174.62 172.79 1xgk n SER 159 N 0.26 1.29 -4.76 8.08 3.41 -1.26 -0.52 113.62 120.14 1xgk n SER 159 Ca -0.18 -1.16 -0.36 0.00 -0.26 0.00 0.00 58.87 56.91 1xgk n SER 159 Cb 0.61 0.10 0.03 0.00 -0.26 0.00 0.00 64.21 64.69 1xgk n SER 159 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xgk s LEU 160 N -2.31 3.67 0.00 1.04 1.43 -1.26 -4.71 118.68 116.53 1xgk s LEU 160 Ca 0.29 2.34 -0.02 0.00 -1.03 0.00 0.00 54.13 55.70 1xgk s LEU 160 Cb 0.20 -4.59 -0.10 0.00 0.03 0.00 0.00 46.19 41.72 1xgk s LEU 160 CO 0.45 -1.53 1.83 -0.81 0.23 0.00 0.00 176.35 176.53 1xgk n PRO 161 N -1.57 0.89 -3.50 1.29 -0.04 -1.26 -4.80 135.00 126.01 1xgk n PRO 161 Ca 0.13 -0.39 -0.32 0.00 -0.04 0.00 0.00 63.50 62.88 1xgk n PRO 161 Cb 0.50 -1.63 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 1xgk n PRO 161 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xgk s TYR 162 N 1.75 3.46 0.69 0.54 2.02 -1.26 -4.00 117.35 120.55 1xgk s TYR 162 Ca 0.26 0.78 -0.17 0.00 -0.37 0.00 0.00 57.07 57.57 1xgk s TYR 162 Cb 0.12 -2.18 0.02 0.00 -0.40 0.00 0.00 41.96 39.52 1xgk s TYR 162 CO 0.00 0.35 1.27 -2.14 -1.57 0.00 0.00 175.55 173.46 1xgk s PRO 163 N -2.63 2.27 0.00 -1.71 0.02 -1.26 -3.94 135.00 127.74 1xgk s PRO 163 Ca 0.44 1.99 0.00 0.00 0.02 0.00 0.00 61.00 63.45 1xgk s PRO 163 Cb -0.12 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1xgk s PRO 163 CO 0.22 -1.79 0.00 -0.11 -0.33 0.00 0.00 177.00 174.98 1xgk n LEU 164 N -2.31 0.00 -2.26 -5.54 7.94 -1.26 -4.50 117.00 109.07 1xgk n LEU 164 Ca 0.15 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.79 1xgk n LEU 164 Cb 0.49 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.45 1xgk n LEU 164 CO 0.47 0.00 0.29 0.49 -1.11 0.00 0.00 177.39 177.53 1xgk n PHE 165 N 0.00 3.06 -3.22 1.96 3.72 -1.26 -4.71 117.46 117.01 1xgk n PHE 165 Ca 0.00 -2.64 -0.40 0.00 -0.05 0.00 0.00 57.45 54.36 1xgk n PHE 165 Cb 0.00 -0.31 -0.07 0.00 -0.94 0.00 0.00 39.48 38.16 1xgk n PHE 165 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1xgk s GLN 166 N -3.60 4.15 -1.08 -1.08 0.74 -1.25 -2.74 119.66 114.79 1xgk s GLN 166 Ca 0.50 0.42 -0.14 0.00 0.05 0.00 0.00 55.36 56.18 1xgk s GLN 166 Cb 0.41 -3.60 0.18 0.00 1.10 0.00 0.00 33.01 31.10 1xgk s GLN 166 CO -0.08 -0.24 1.24 -1.64 -0.55 0.00 0.00 175.29 174.02 1xgk s MET 167 N 1.95 3.93 0.04 1.67 -1.94 0.33 -4.18 119.30 121.10 1xgk s MET 167 Ca 0.24 -2.44 -0.30 0.00 -1.71 0.00 0.00 55.69 51.47 1xgk s MET 167 Cb -0.15 -4.89 -0.07 0.00 2.01 0.00 0.00 34.83 31.72 1xgk s MET 167 CO 0.09 -1.65 1.61 -2.00 -0.01 0.00 0.00 175.02 173.06 1xgk s GLU 168 N 1.35 4.21 -0.20 2.03 2.12 -0.09 -3.99 118.70 124.14 1xgk s GLU 168 Ca 0.36 2.25 -0.25 0.00 0.36 0.00 0.00 54.97 57.69 1xgk s GLU 168 Cb -0.05 -3.64 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 1xgk s GLU 168 CO -0.05 -0.72 0.83 -1.17 -0.54 0.00 0.00 175.26 173.61 1xgk s LEU 169 N 2.76 4.14 0.50 2.70 2.96 -1.26 -1.14 118.68 129.34 1xgk s LEU 169 Ca 0.72 1.11 -0.02 0.00 -0.22 0.00 0.00 54.13 55.73 1xgk s LEU 169 Cb -0.37 -3.21 -0.00 0.00 0.50 0.00 0.00 46.19 43.11 1xgk s LEU 169 CO 0.31 -0.44 0.75 -0.04 -1.32 0.00 0.00 176.35 175.61 1xgk s MET 170 N 2.40 3.04 0.45 1.98 -1.94 0.11 -4.97 119.30 120.37 1xgk s MET 170 Ca 0.37 -0.30 0.21 0.00 -1.71 0.00 0.00 55.69 54.25 1xgk s MET 170 Cb -0.16 -2.46 1.18 0.00 2.01 0.00 0.00 34.83 35.40 1xgk s MET 170 CO 0.10 -0.40 1.88 -1.35 -0.01 0.00 0.00 175.02 175.24 1xgk h PRO 171 N 0.21 0.29 -0.21 2.03 0.11 -1.96 -0.28 132.00 132.19 1xgk h PRO 171 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xgk h PRO 171 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xgk h PRO 171 CO 0.59 0.19 0.00 -0.40 -0.21 0.00 0.00 178.00 178.17 1xgk n ASP 172 N -4.45 1.33 0.00 -2.05 5.68 -1.26 -4.89 116.55 110.91 1xgk n ASP 172 Ca 0.18 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.61 1xgk n ASP 172 Cb 0.73 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 1xgk n ASP 172 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xgk n GLY 173 N 0.96 0.78 3.94 6.12 0.00 -0.11 -5.05 105.19 111.82 1xgk n GLY 173 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1xgk n GLY 173 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xgk s THR 174 N -2.89 3.81 0.02 2.61 -4.23 -1.26 -4.80 115.64 108.90 1xgk s THR 174 Ca 0.00 -0.29 0.08 0.00 -1.18 0.00 0.00 61.69 60.30 1xgk s THR 174 Cb 0.00 -3.45 -0.03 0.00 1.34 0.00 0.00 72.50 70.36 1xgk s THR 174 CO 0.00 -0.38 -0.22 -0.36 -0.54 0.00 0.00 174.62 173.12 1xgk s PHE 175 N -2.75 2.45 -0.02 3.99 0.08 0.36 0.07 117.98 122.16 1xgk s PHE 175 Ca 0.51 -0.33 0.02 0.00 0.12 0.00 0.00 56.93 57.24 1xgk s PHE 175 Cb -0.10 -1.47 0.01 0.00 -0.57 0.00 0.00 43.02 40.89 1xgk s PHE 175 CO 0.41 0.14 -0.06 -1.21 -0.10 0.00 0.00 175.22 174.40 1xgk s GLU 176 N -1.09 0.67 -0.22 0.44 2.02 -0.29 -1.15 118.70 119.09 1xgk s GLU 176 Ca 0.12 -0.18 -0.02 0.00 0.02 0.00 0.00 54.97 54.91 1xgk s GLU 176 Cb -0.10 -0.67 0.01 0.00 0.10 0.00 0.00 34.13 33.46 1xgk s GLU 176 CO 0.02 0.04 -0.08 -0.46 0.02 0.00 0.00 175.26 174.80 1xgk s TRP 177 N 0.34 2.94 -0.18 1.61 -0.00 -0.58 -0.91 118.94 122.17 1xgk s TRP 177 Ca -0.04 -1.22 -0.03 0.00 -0.00 0.00 0.00 56.10 54.80 1xgk s TRP 177 Cb -0.08 -2.06 -0.02 0.00 -0.00 0.00 0.00 33.47 31.31 1xgk s TRP 177 CO -0.00 -0.64 -0.04 -1.01 -0.00 0.00 0.00 176.95 175.25 1xgk s HIS 178 N 1.41 2.98 0.17 5.86 3.76 -1.26 -1.00 115.29 127.21 1xgk s HIS 178 Ca 0.04 -0.52 -0.20 0.00 -0.15 0.00 0.00 55.06 54.23 1xgk s HIS 178 Cb -0.14 -2.00 0.05 0.00 1.11 0.00 0.00 32.58 31.60 1xgk s HIS 178 CO -0.06 -0.21 0.55 0.00 -0.85 0.00 0.00 174.74 174.17 1xgk s ALA 179 N 0.74 -1.29 -0.40 -1.40 0.00 -1.01 -4.76 121.76 113.63 1xgk s ALA 179 Ca -0.02 0.17 0.27 0.00 0.00 0.00 0.00 51.96 52.38 1xgk s ALA 179 Cb -0.15 0.84 0.95 0.00 0.00 0.00 0.00 23.12 24.76 1xgk s ALA 179 CO 0.02 -0.77 1.78 -1.35 0.00 0.00 0.00 175.76 175.44 1xgk h PRO 180 N 2.12 0.00 -6.93 0.00 0.11 -1.84 -1.08 132.00 124.38 1xgk h PRO 180 Ca -0.32 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.23 1xgk h PRO 180 Cb 1.28 0.00 0.15 0.00 0.11 0.00 0.00 31.00 32.54 1xgk h PRO 180 CO 0.39 0.00 0.42 1.19 -0.21 0.00 0.00 178.00 179.79 1xgk n PHE 181 N -2.56 1.78 -2.09 0.65 3.72 -1.26 -3.89 117.46 113.81 1xgk n PHE 181 Ca 0.03 0.45 -0.42 0.00 -0.05 0.00 0.00 57.45 57.46 1xgk n PHE 181 Cb 0.34 -2.29 -0.03 0.00 -0.94 0.00 0.00 39.48 36.56 1xgk n PHE 181 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1xgk s ASP 182 N -0.97 6.74 0.48 4.37 -1.08 -1.26 -4.78 116.67 120.17 1xgk s ASP 182 Ca 0.71 2.53 0.26 0.00 -0.52 0.00 0.00 52.55 55.53 1xgk s ASP 182 Cb -0.44 -2.61 1.31 0.00 -1.46 0.00 0.00 42.92 39.72 1xgk s ASP 182 CO 0.50 -0.66 1.86 -0.65 0.52 0.00 0.00 175.17 176.74 1xgk h PRO 183 N 5.64 0.18 -0.01 4.34 0.11 -1.95 -3.11 132.00 137.20 1xgk h PRO 183 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xgk h PRO 183 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xgk h PRO 183 CO 0.81 0.12 -0.22 -0.25 -0.21 0.00 0.00 178.00 178.25 1xgk n ASP 184 N -4.39 1.32 -4.67 -2.05 8.00 -1.26 -2.35 116.55 111.15 1xgk n ASP 184 Ca 0.20 -1.16 -0.43 0.00 0.71 0.00 0.00 54.79 54.11 1xgk n ASP 184 Cb 0.88 0.44 -0.02 0.00 -0.02 0.00 0.00 41.12 42.40 1xgk n ASP 184 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xgk s ILE 185 N -1.42 4.73 0.26 0.53 1.01 -1.18 -4.76 121.20 120.38 1xgk s ILE 185 Ca 0.09 2.00 -0.30 0.00 0.00 0.00 0.00 60.65 62.44 1xgk s ILE 185 Cb 0.09 -4.30 -0.11 0.00 0.01 0.00 0.00 42.46 38.15 1xgk s ILE 185 CO 0.27 -0.11 1.57 -2.84 0.00 0.00 0.00 174.94 173.84 1xgk s PRO 186 N 2.75 4.16 0.18 2.79 0.02 -1.26 -4.31 135.00 139.33 1xgk s PRO 186 Ca 0.45 2.51 0.08 0.00 0.02 0.00 0.00 61.00 64.05 1xgk s PRO 186 Cb -0.16 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 1xgk s PRO 186 CO 0.10 -0.60 -0.03 -0.51 -0.33 0.00 0.00 177.00 175.63 1xgk s LEU 187 N -0.17 3.20 -0.15 -5.54 1.43 0.02 -4.82 118.68 112.66 1xgk s LEU 187 Ca 0.64 -0.46 -0.23 0.00 -1.03 0.00 0.00 54.13 53.06 1xgk s LEU 187 Cb -0.46 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 1xgk s LEU 187 CO 0.44 0.09 0.71 -2.16 0.23 0.00 0.00 176.35 175.67 1xgk s PRO 188 N -2.90 4.31 0.31 1.29 0.04 -1.26 -1.34 135.00 135.45 1xgk s PRO 188 Ca 0.27 0.82 0.09 0.00 0.04 0.00 0.00 61.00 62.22 1xgk s PRO 188 Cb -0.09 -3.53 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 1xgk s PRO 188 CO 0.17 -0.16 0.07 -1.58 0.04 0.00 0.00 177.00 175.54 1xgk s TRP 189 N 1.61 2.69 -0.22 0.56 0.52 0.05 -0.15 118.94 124.01 1xgk s TRP 189 Ca 0.34 -0.32 -0.13 0.00 0.02 0.00 0.00 56.10 56.02 1xgk s TRP 189 Cb -0.17 -1.44 0.07 0.00 -1.15 0.00 0.00 33.47 30.78 1xgk s TRP 189 CO 0.13 0.47 0.54 -1.17 0.02 0.00 0.00 176.95 176.94 1xgk s LEU 190 N -3.76 -0.46 -0.88 2.99 2.96 0.78 -2.88 118.68 117.43 1xgk s LEU 190 Ca 0.35 1.17 -0.18 0.00 -0.22 0.00 0.00 54.13 55.25 1xgk s LEU 190 Cb -0.04 1.83 0.14 0.00 0.50 0.00 0.00 46.19 48.61 1xgk s LEU 190 CO 0.21 -0.21 1.05 -0.62 -1.32 0.00 0.00 176.35 175.46 1xgk s ASP 191 N 1.42 6.59 0.10 3.68 -1.08 -1.26 -0.29 116.67 125.83 1xgk s ASP 191 Ca -0.09 -2.01 -0.26 0.00 -0.52 0.00 0.00 52.55 49.67 1xgk s ASP 191 Cb -0.07 -2.37 -0.11 0.00 -1.46 0.00 0.00 42.92 38.91 1xgk s ASP 191 CO -0.15 -1.04 1.67 0.00 0.52 0.00 0.00 175.17 176.17 1xgk h ALA 192 N 8.79 -0.34 -0.53 3.66 0.00 -1.93 0.46 119.26 129.36 1xgk h ALA 192 Ca 0.09 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.06 1xgk h ALA 192 Cb 1.03 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 1xgk h ALA 192 CO 1.07 -0.72 -0.02 1.49 0.00 0.00 0.00 179.25 181.07 1xgk h GLU 193 N -0.38 0.09 0.05 0.00 4.81 -1.91 -2.71 114.58 114.55 1xgk h GLU 193 Ca 0.01 -0.01 -0.34 0.00 -0.13 0.00 0.00 59.36 58.89 1xgk h GLU 193 Cb 0.36 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 1xgk h GLU 193 CO -0.06 0.06 -1.96 0.72 -0.73 0.00 0.00 179.01 177.05 1xgk n HIS 194 N -5.27 0.95 -0.01 0.92 8.25 -1.20 -4.69 115.22 114.18 1xgk n HIS 194 Ca 0.06 0.26 0.11 0.00 -0.26 0.00 0.00 57.72 57.89 1xgk n HIS 194 Cb 0.29 -1.15 -0.17 0.00 1.12 0.00 0.00 29.99 30.09 1xgk n HIS 194 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1xgk n ASP 195 N -3.23 0.05 0.01 0.41 8.00 0.15 -4.44 116.55 117.50 1xgk n ASP 195 Ca -0.27 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.10 1xgk n ASP 195 Cb 1.05 1.98 -0.09 0.00 -0.02 0.00 0.00 41.12 44.05 1xgk n ASP 195 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1xgk h VAL 196 N 0.00 1.21 0.01 2.53 2.07 -1.56 -2.91 116.25 117.60 1xgk h VAL 196 Ca -0.00 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 66.86 1xgk h VAL 196 Cb 1.00 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 32.39 1xgk h VAL 196 CO 0.00 0.18 -0.38 1.23 0.02 0.00 0.00 177.57 178.61 1xgk h GLY 197 N -0.32 -0.69 1.32 2.17 0.00 -1.76 -0.62 103.07 103.16 1xgk h GLY 197 Ca -0.00 0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.81 1xgk h GLY 197 CO 0.00 -0.25 0.44 -2.55 0.00 0.00 0.00 176.54 174.19 1xgk h PRO 198 N -0.55 0.86 -0.31 4.80 0.11 -1.78 -1.23 132.00 133.91 1xgk h PRO 198 Ca 0.05 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 1xgk h PRO 198 Cb 0.62 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 1xgk h PRO 198 CO -0.29 0.57 -0.06 0.00 -0.21 0.00 0.00 178.00 178.01 1xgk h ALA 199 N 1.59 0.43 -0.73 -0.75 0.00 -1.24 -2.20 119.26 116.36 1xgk h ALA 199 Ca 0.25 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1xgk h ALA 199 Cb -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1xgk h ALA 199 CO -0.06 0.24 0.23 -0.07 0.00 0.00 0.00 179.25 179.59 1xgk h LEU 200 N 0.37 1.07 -1.17 0.00 3.38 -0.79 -2.30 115.31 115.86 1xgk h LEU 200 Ca 0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1xgk h LEU 200 Cb 0.54 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1xgk h LEU 200 CO 0.03 0.99 0.26 -0.07 0.09 0.00 0.00 178.44 179.74 1xgk h LEU 201 N 1.09 0.76 -0.93 1.67 3.38 -1.13 -1.57 115.31 118.58 1xgk h LEU 201 Ca 0.24 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1xgk h LEU 201 Cb 0.30 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1xgk h LEU 201 CO -0.01 0.67 -0.31 -0.61 0.09 0.00 0.00 178.44 178.27 1xgk h GLN 202 N 0.84 0.42 -0.36 1.13 5.75 -0.92 0.20 115.11 122.16 1xgk h GLN 202 Ca 0.20 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1xgk h GLN 202 Cb 0.12 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.64 1xgk h GLN 202 CO -0.02 0.68 0.16 0.82 -2.65 0.00 0.00 178.83 177.82 1xgk h ILE 203 N 0.36 1.18 -0.84 2.39 2.04 -0.88 0.19 117.51 121.94 1xgk h ILE 203 Ca 0.05 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1xgk h ILE 203 Cb 0.72 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 1xgk h ILE 203 CO 0.06 0.19 0.40 -0.26 0.00 0.00 0.00 178.15 178.54 1xgk h PHE 204 N 0.44 1.23 -0.44 1.37 0.05 -0.65 -2.10 116.94 116.83 1xgk h PHE 204 Ca 0.12 -0.06 -0.15 0.00 3.82 0.00 0.00 57.97 61.70 1xgk h PHE 204 Cb 0.16 -0.38 -0.01 0.00 2.00 0.00 0.00 35.95 37.72 1xgk h PHE 204 CO -0.01 0.89 -0.29 0.87 -0.18 0.00 0.00 178.31 179.59 1xgk h LYS 205 N 1.21 0.98 -0.99 1.51 1.57 -0.22 -2.95 116.57 117.67 1xgk h LYS 205 Ca 0.29 -0.46 0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1xgk h LYS 205 Cb 0.13 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 1xgk h LYS 205 CO -0.03 1.13 0.65 -0.44 -0.57 0.00 0.00 179.45 180.18 1xgk h ASP 206 N 0.82 1.15 -5.00 0.86 3.45 -0.42 -3.49 116.42 113.79 1xgk h ASP 206 Ca 0.09 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.51 1xgk h ASP 206 Cb 0.88 -0.29 0.00 0.00 -0.56 0.00 0.00 39.33 39.37 1xgk h ASP 206 CO 0.08 0.84 0.00 0.61 -1.57 0.00 0.00 179.24 179.20 1xgk n GLY 207 N -1.35 1.79 0.23 2.75 0.00 -0.81 -4.62 105.19 103.17 1xgk n GLY 207 Ca 0.12 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1xgk n GLY 207 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xgk h PRO 208 N 0.00 0.28 -0.52 1.61 0.13 -1.85 -2.84 132.00 128.81 1xgk h PRO 208 Ca 0.00 -0.09 -0.06 0.00 -0.87 0.00 0.00 66.00 64.99 1xgk h PRO 208 Cb 0.00 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.08 1xgk h PRO 208 CO 0.00 0.50 0.10 1.96 -0.23 0.00 0.00 178.00 180.33 1xgk h GLN 209 N 0.26 0.82 0.09 0.86 4.20 -1.95 0.24 115.11 119.62 1xgk h GLN 209 Ca 0.04 -0.18 -0.28 0.00 0.06 0.00 0.00 58.65 58.29 1xgk h GLN 209 Cb 0.54 -0.12 0.02 0.00 0.30 0.00 0.00 27.48 28.22 1xgk h GLN 209 CO 0.04 0.75 -1.18 -0.22 -0.67 0.00 0.00 178.83 177.55 1xgk h LYS 210 N 0.78 0.59 -0.02 1.46 3.64 -1.80 -3.39 116.57 117.84 1xgk h LYS 210 Ca 0.17 -0.75 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 1xgk h LYS 210 Cb 0.33 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1xgk h LYS 210 CO 0.00 1.33 -0.04 0.91 -2.27 0.00 0.00 179.45 179.38 1xgk n TRP 211 N -3.77 0.00 -1.76 1.91 7.02 -1.08 -4.95 117.44 114.80 1xgk n TRP 211 Ca -0.12 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.94 1xgk n TRP 211 Cb 0.96 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.82 1xgk n TRP 211 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1xgk s ASN 212 N -1.29 6.44 0.00 -0.99 2.47 0.84 -1.84 114.94 120.56 1xgk s ASN 212 Ca 0.16 2.76 0.00 0.00 0.42 0.00 0.00 52.86 56.21 1xgk s ASN 212 Cb 0.12 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 1xgk s ASN 212 CO 0.21 -0.96 0.00 0.61 -3.72 0.00 0.00 177.10 173.23 1xgk n GLY 213 N 4.07 1.53 3.85 1.21 0.00 0.59 -4.95 105.19 111.50 1xgk n GLY 213 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 1xgk n GLY 213 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xgk s HIS 214 N -3.14 3.42 -0.13 1.61 3.76 -0.77 -4.93 115.29 115.11 1xgk s HIS 214 Ca 0.00 1.30 -0.00 0.00 -0.15 0.00 0.00 55.06 56.21 1xgk s HIS 214 Cb 0.00 -2.64 -0.01 0.00 1.11 0.00 0.00 32.58 31.04 1xgk s HIS 214 CO 0.00 -0.15 -0.13 1.03 -0.85 0.00 0.00 174.74 174.64 1xgk s ARG 215 N -3.64 3.38 -0.09 1.40 0.52 -1.26 -0.95 118.95 118.31 1xgk s ARG 215 Ca 0.56 -0.69 0.03 0.00 -0.52 0.00 0.00 55.73 55.11 1xgk s ARG 215 Cb -0.10 -2.63 0.01 0.00 0.52 0.00 0.00 34.95 32.75 1xgk s ARG 215 CO 0.26 0.20 -0.18 0.42 0.02 0.00 0.00 175.30 176.02 1xgk s ILE 216 N 0.38 1.61 -0.35 1.52 1.01 0.67 -4.98 121.20 121.05 1xgk s ILE 216 Ca -0.11 -0.75 -0.24 0.00 0.00 0.00 0.00 60.65 59.56 1xgk s ILE 216 Cb -0.16 -1.43 0.01 0.00 0.01 0.00 0.00 42.46 40.89 1xgk s ILE 216 CO 0.05 0.46 0.81 0.00 0.00 0.00 0.00 174.94 176.26 1xgk s ALA 217 N 0.60 3.44 -1.26 9.38 0.00 -1.26 -0.20 121.76 132.46 1xgk s ALA 217 Ca -0.15 -0.58 -0.15 0.00 0.00 0.00 0.00 51.96 51.09 1xgk s ALA 217 Cb -0.17 -3.38 0.13 0.00 0.00 0.00 0.00 23.12 19.70 1xgk s ALA 217 CO 0.05 -1.46 1.63 1.28 0.00 0.00 0.00 175.76 177.26 1xgk n LEU 218 N 6.44 5.34 -3.74 0.00 4.77 0.16 -4.34 117.00 125.63 1xgk n LEU 218 Ca 0.04 -4.27 -0.12 0.00 -0.03 0.00 0.00 56.01 51.63 1xgk n LEU 218 Cb 0.48 -1.66 -0.12 0.00 -2.33 0.00 0.00 43.42 39.79 1xgk n LEU 218 CO 0.54 0.60 -0.09 0.28 -1.33 0.00 0.00 177.39 177.39 1xgk s THR 219 N 2.49 -0.03 -0.68 -5.08 -1.32 -1.26 -1.84 115.64 107.93 1xgk s THR 219 Ca 0.47 0.10 0.10 0.00 -1.21 0.00 0.00 61.69 61.15 1xgk s THR 219 Cb 0.02 -0.40 -0.05 0.00 -1.51 0.00 0.00 72.50 70.55 1xgk s THR 219 CO 0.02 0.04 0.52 0.49 -2.21 0.00 0.00 174.62 173.48 1xgk n PHE 220 N 3.88 0.00 -3.70 9.09 3.72 -1.14 -4.43 117.46 124.88 1xgk n PHE 220 Ca -0.22 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.06 1xgk n PHE 220 Cb 0.55 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.99 1xgk n PHE 220 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 1xgk s GLU 221 N -1.62 0.51 -0.09 -1.08 2.12 -1.25 -4.96 118.70 112.32 1xgk s GLU 221 Ca 0.06 0.73 0.01 0.00 0.36 0.00 0.00 54.97 56.13 1xgk s GLU 221 Cb 0.08 0.17 -0.02 0.00 0.26 0.00 0.00 34.13 34.61 1xgk s GLU 221 CO 0.32 -0.10 -0.12 0.95 -0.54 0.00 0.00 175.26 175.77 1xgk s THR 222 N 0.69 3.22 -0.13 -1.70 -4.23 -1.26 -0.77 115.64 111.47 1xgk s THR 222 Ca -0.04 -0.64 -0.11 0.00 -1.18 0.00 0.00 61.69 59.73 1xgk s THR 222 Cb -0.05 -2.31 0.04 0.00 1.34 0.00 0.00 72.50 71.51 1xgk s THR 222 CO -0.05 0.56 0.33 -0.76 -0.54 0.00 0.00 174.62 174.16 1xgk s LEU 223 N -0.29 0.65 0.74 4.79 1.43 -0.45 -4.86 118.68 120.69 1xgk s LEU 223 Ca 0.03 0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 53.68 1xgk s LEU 223 Cb -0.13 1.11 0.03 0.00 0.03 0.00 0.00 46.19 47.24 1xgk s LEU 223 CO 0.03 -0.12 1.09 -0.94 0.23 0.00 0.00 176.35 176.63 1xgk s SER 224 N 0.37 5.07 0.33 2.29 1.04 -1.26 -0.80 113.70 120.75 1xgk s SER 224 Ca -0.02 1.24 0.04 0.00 0.48 0.00 0.00 55.95 57.69 1xgk s SER 224 Cb -0.03 -2.03 0.65 0.00 0.10 0.00 0.00 66.02 64.71 1xgk s SER 224 CO -0.01 -1.59 1.93 -0.65 0.98 0.00 0.00 173.24 173.89 1xgk h PRO 225 N -0.83 0.85 -0.59 4.02 0.11 -1.73 0.07 132.00 133.90 1xgk h PRO 225 Ca -0.46 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1xgk h PRO 225 Cb 1.25 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1xgk h PRO 225 CO 0.61 0.56 0.22 0.28 -0.21 0.00 0.00 178.00 179.47 1xgk h VAL 226 N 0.88 1.23 -0.32 3.15 2.07 -1.80 -1.78 116.25 119.68 1xgk h VAL 226 Ca 0.36 -0.75 -0.10 0.00 0.82 0.00 0.00 66.70 67.03 1xgk h VAL 226 Cb 0.27 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1xgk h VAL 226 CO -0.13 0.29 -0.20 1.56 0.02 0.00 0.00 177.57 179.10 1xgk h GLN 227 N 0.83 0.61 -0.09 1.57 4.20 -1.52 -1.44 115.11 119.27 1xgk h GLN 227 Ca 0.20 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1xgk h GLN 227 Cb 0.23 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1xgk h GLN 227 CO -0.01 0.77 0.05 0.28 -0.67 0.00 0.00 178.83 179.25 1xgk h VAL 228 N 0.54 1.06 -0.38 -0.54 2.07 -0.71 -0.62 116.25 117.66 1xgk h VAL 228 Ca 0.08 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1xgk h VAL 228 Cb 0.65 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1xgk h VAL 228 CO 0.05 0.05 0.19 0.00 0.02 0.00 0.00 177.57 177.88 1xgk h ALA 230 N 1.69 1.10 -0.30 0.00 0.00 -0.77 -0.02 119.26 120.96 1xgk h ALA 230 Ca 0.14 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1xgk h ALA 230 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xgk h ALA 230 CO -0.02 0.57 -0.05 0.00 0.00 0.00 0.00 179.25 179.74 1xgk h ALA 231 N 1.33 0.41 -0.73 0.00 0.00 0.48 -1.22 119.26 119.53 1xgk h ALA 231 Ca 0.04 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1xgk h ALA 231 Cb 0.73 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1xgk h ALA 231 CO 0.06 0.21 0.20 0.74 0.00 0.00 0.00 179.25 180.45 1xgk h PHE 232 N 0.33 1.20 -0.37 0.00 -1.00 -0.97 -0.78 116.94 115.35 1xgk h PHE 232 Ca 0.08 -0.13 -0.00 0.00 2.81 0.00 0.00 57.97 60.72 1xgk h PHE 232 Cb 0.52 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 39.72 1xgk h PHE 232 CO 0.05 0.96 0.23 1.03 -1.61 0.00 0.00 178.31 178.97 1xgk h SER 233 N 1.10 0.44 -0.47 2.17 0.87 -0.82 0.14 113.55 116.98 1xgk h SER 233 Ca 0.23 -0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.64 1xgk h SER 233 Cb 0.35 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1xgk h SER 233 CO -0.00 0.35 -0.12 0.03 -0.53 0.00 0.00 176.83 176.56 1xgk h ARG 234 N 0.50 0.96 -0.13 2.24 3.08 -1.09 0.29 114.38 120.22 1xgk h ARG 234 Ca 0.14 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.82 1xgk h ARG 234 Cb -0.01 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1xgk h ARG 234 CO -0.03 1.02 0.02 0.00 -1.07 0.00 0.00 179.97 179.90 1xgk h ALA 235 N 1.00 0.18 -0.00 0.04 0.00 -0.76 -3.31 119.26 116.40 1xgk h ALA 235 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xgk h ALA 235 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1xgk h ALA 235 CO 0.05 -0.15 -0.60 1.28 0.00 0.00 0.00 179.25 179.83 1xgk n LEU 236 N -4.80 0.99 -3.61 0.00 4.77 0.45 -4.65 117.00 110.15 1xgk n LEU 236 Ca -0.05 -0.32 -0.23 0.00 -0.03 0.00 0.00 56.01 55.37 1xgk n LEU 236 Cb 0.19 -0.11 0.07 0.00 -2.33 0.00 0.00 43.42 41.24 1xgk n LEU 236 CO 0.35 0.22 0.20 0.59 -1.33 0.00 0.00 177.39 177.42 1xgk n ASN 237 N -1.10 -5.29 -4.17 -1.43 5.03 0.08 -4.99 115.26 103.39 1xgk n ASN 237 Ca 0.07 -0.59 -0.10 0.00 0.87 0.00 0.00 54.58 54.83 1xgk n ASN 237 Cb 0.36 -4.90 -0.10 0.00 -1.02 0.00 0.00 39.78 34.12 1xgk n ASN 237 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1xgk s ARG 238 N -6.17 0.84 -0.14 3.52 0.52 -1.16 -5.08 118.95 111.28 1xgk s ARG 238 Ca 0.47 -1.35 -0.29 0.00 -0.52 0.00 0.00 55.73 54.04 1xgk s ARG 238 Cb -0.21 -0.14 -0.01 0.00 0.52 0.00 0.00 34.95 35.11 1xgk s ARG 238 CO 0.74 -0.05 1.08 0.50 0.02 0.00 0.00 175.30 177.59 1xgk s ARG 239 N -3.86 4.34 -0.08 3.54 3.52 -1.26 -4.35 118.95 120.79 1xgk s ARG 239 Ca 0.13 1.46 -0.00 0.00 -0.13 0.00 0.00 55.73 57.19 1xgk s ARG 239 Cb 0.06 -3.60 0.02 0.00 -1.56 0.00 0.00 34.95 29.88 1xgk s ARG 239 CO -0.04 -0.47 -0.05 0.08 -0.81 0.00 0.00 175.30 174.01 1xgk s VAL 240 N 2.55 0.76 0.03 7.11 1.01 -1.25 -0.49 120.40 130.12 1xgk s VAL 240 Ca 0.49 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.35 1xgk s VAL 240 Cb -0.19 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1xgk s VAL 240 CO 0.15 0.31 -0.10 0.42 0.00 0.00 0.00 175.10 175.88 1xgk s THR 241 N 1.55 0.78 0.03 3.92 -4.23 -0.30 -4.57 115.64 112.82 1xgk s THR 241 Ca 0.00 -0.85 -0.17 0.00 -1.18 0.00 0.00 61.69 59.49 1xgk s THR 241 Cb -0.13 -0.74 -0.06 0.00 1.34 0.00 0.00 72.50 72.91 1xgk s THR 241 CO -0.05 -0.09 0.49 -0.47 -0.54 0.00 0.00 174.62 173.97 1xgk s TYR 242 N -0.85 3.76 -0.14 3.99 6.14 -1.26 -1.53 117.35 127.46 1xgk s TYR 242 Ca -0.02 1.13 -0.01 0.00 0.64 0.00 0.00 57.07 58.82 1xgk s TYR 242 Cb -0.07 -2.41 0.04 0.00 0.42 0.00 0.00 41.96 39.93 1xgk s TYR 242 CO 0.01 0.58 -0.05 0.08 0.64 0.00 0.00 175.55 176.81 1xgk s VAL 243 N -0.98 0.99 -0.03 3.14 1.01 -0.17 -4.94 120.40 119.42 1xgk s VAL 243 Ca 0.27 -0.44 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1xgk s VAL 243 Cb -0.18 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1xgk s VAL 243 CO 0.16 0.21 1.07 -1.58 0.00 0.00 0.00 175.10 174.97 1xgk s GLN 244 N 1.70 4.46 -0.02 2.72 0.74 -1.26 -2.41 119.66 125.59 1xgk s GLN 244 Ca 0.03 1.53 0.06 0.00 0.05 0.00 0.00 55.36 57.03 1xgk s GLN 244 Cb -0.14 -3.48 -0.02 0.00 1.10 0.00 0.00 33.01 30.47 1xgk s GLN 244 CO -0.08 -0.24 -0.21 0.14 -0.55 0.00 0.00 175.29 174.35 1xgk s VAL 245 N 1.54 1.64 0.20 1.34 -7.23 -0.41 -4.92 120.40 112.56 1xgk s VAL 245 Ca 0.53 -0.88 -0.11 0.00 -1.81 0.00 0.00 61.98 59.71 1xgk s VAL 245 Cb -0.23 -1.36 0.12 0.00 0.56 0.00 0.00 36.38 35.48 1xgk s VAL 245 CO 0.24 0.46 1.84 1.55 -0.31 0.00 0.00 175.10 178.89 1xgk h PRO 246 N 5.66 0.79 -6.42 4.82 0.13 -1.91 -3.09 132.00 131.97 1xgk h PRO 246 Ca -0.39 -0.05 -0.67 0.00 -0.87 0.00 0.00 66.00 64.02 1xgk h PRO 246 Cb 1.14 -0.18 -0.18 0.00 0.13 0.00 0.00 31.00 31.92 1xgk h PRO 246 CO 0.48 0.53 -0.73 0.15 -0.23 0.00 0.00 178.00 178.19 1xgk s LYS 247 N -6.13 2.34 0.20 0.86 1.02 -1.26 -4.82 119.74 111.95 1xgk s LYS 247 Ca -0.13 -0.86 -0.30 0.00 0.02 0.00 0.00 55.97 54.69 1xgk s LYS 247 Cb 0.15 -2.38 -0.09 0.00 -0.52 0.00 0.00 37.83 34.98 1xgk s LYS 247 CO 0.76 0.56 1.38 0.08 -0.92 0.00 0.00 175.35 177.21 1xgk s VAL 248 N -1.05 3.00 -0.42 3.17 1.01 -1.26 -4.78 120.40 120.06 1xgk s VAL 248 Ca 0.18 0.80 -0.29 0.00 0.00 0.00 0.00 61.98 62.68 1xgk s VAL 248 Cb -0.11 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1xgk s VAL 248 CO 0.09 0.11 1.20 -1.61 0.00 0.00 0.00 175.10 174.90 1xgk s GLU 249 N 0.05 3.77 -0.51 2.72 2.02 -1.26 -4.96 118.70 120.53 1xgk s GLU 249 Ca 0.60 0.80 -0.11 0.00 0.02 0.00 0.00 54.97 56.28 1xgk s GLU 249 Cb -0.39 -3.90 0.13 0.00 0.10 0.00 0.00 34.13 30.07 1xgk s GLU 249 CO 0.38 -1.31 0.41 0.42 0.02 0.00 0.00 175.26 175.18 1xgk s ILE 250 N 4.52 4.50 -1.22 -1.63 1.01 -1.26 -4.43 121.20 122.69 1xgk s ILE 250 Ca 0.51 -1.80 0.24 0.00 0.00 0.00 0.00 60.65 59.60 1xgk s ILE 250 Cb -0.10 -3.93 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 1xgk s ILE 250 CO 0.28 -0.82 1.27 0.29 0.00 0.00 0.00 174.94 175.97 1xgk n LYS 251 N 4.89 0.25 -4.24 2.79 5.02 -1.26 -4.95 118.16 120.66 1xgk n LYS 251 Ca -0.08 -0.17 -0.13 0.00 -2.02 0.00 0.00 58.31 55.91 1xgk n LYS 251 Cb 0.41 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.82 1xgk n LYS 251 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1xgk s VAL 252 N -2.87 0.78 0.42 -0.18 -7.23 -1.26 -5.05 120.40 105.02 1xgk s VAL 252 Ca 0.13 -1.99 -0.25 0.00 -1.81 0.00 0.00 61.98 58.07 1xgk s VAL 252 Cb 0.17 -2.01 -0.08 0.00 0.56 0.00 0.00 36.38 35.02 1xgk s VAL 252 CO 0.71 -0.58 1.18 0.20 -0.31 0.00 0.00 175.10 176.30 1xgk s ASN 253 N -3.16 6.41 0.02 4.85 0.01 -1.26 -5.00 114.94 116.80 1xgk s ASN 253 Ca 0.21 2.36 -0.03 0.00 -0.71 0.00 0.00 52.86 54.69 1xgk s ASN 253 Cb 0.05 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.09 1xgk s ASN 253 CO 0.02 -0.76 0.04 0.27 -1.51 0.00 0.00 177.10 175.17 1xgk s ILE 254 N -1.43 0.10 0.58 0.60 -4.36 -1.26 -5.11 121.20 110.31 1xgk s ILE 254 Ca 0.59 -0.86 -0.20 0.00 -0.26 0.00 0.00 60.65 59.91 1xgk s ILE 254 Cb -0.31 -0.41 -0.04 0.00 1.25 0.00 0.00 42.46 42.96 1xgk s ILE 254 CO 0.38 -0.47 1.28 -2.16 0.24 0.00 0.00 174.94 174.21 1xgk s PRO 255 N -1.58 3.01 0.32 0.37 0.04 -1.26 -4.81 135.00 131.10 1xgk s PRO 255 Ca -0.14 2.02 0.10 0.00 0.04 0.00 0.00 61.00 63.02 1xgk s PRO 255 Cb -0.08 -2.07 0.91 0.00 0.04 0.00 0.00 34.50 33.30 1xgk s PRO 255 CO -0.00 -1.22 1.72 0.28 0.04 0.00 0.00 177.00 177.82 1xgk h VAL 256 N 1.10 0.52 -0.71 -0.36 2.07 -2.00 -0.48 116.25 116.38 1xgk h VAL 256 Ca -0.51 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1xgk h VAL 256 Cb 1.30 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1xgk h VAL 256 CO 0.56 0.10 0.39 1.23 0.02 0.00 0.00 177.57 179.87 1xgk h GLY 257 N 0.55 1.05 1.18 2.17 0.00 -2.00 -2.32 103.07 103.71 1xgk h GLY 257 Ca 0.65 -0.46 -0.18 0.00 0.00 0.00 0.00 47.33 47.34 1xgk h GLY 257 CO -0.48 0.44 -0.51 -1.82 0.00 0.00 0.00 176.54 174.17 1xgk h TYR 258 N 0.99 1.07 -0.72 5.60 -0.00 -1.44 -2.31 116.97 120.17 1xgk h TYR 258 Ca 0.25 -0.37 0.06 0.00 -0.00 0.00 0.00 58.73 58.68 1xgk h TYR 258 Cb 0.02 -0.21 -0.06 0.00 -0.00 0.00 0.00 36.73 36.48 1xgk h TYR 258 CO 0.01 1.19 0.41 -0.09 -0.00 0.00 0.00 178.16 179.68 1xgk h ARG 259 N 0.67 0.72 -0.20 1.82 2.43 -1.19 0.99 114.38 119.63 1xgk h ARG 259 Ca 0.02 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 1xgk h ARG 259 Cb 1.11 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1xgk h ARG 259 CO 0.11 0.48 -0.20 0.93 -1.51 0.00 0.00 179.97 179.78 1xgk h GLU 260 N 0.75 0.36 -0.20 0.20 5.08 -1.34 -0.53 114.58 118.90 1xgk h GLU 260 Ca 0.32 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1xgk h GLU 260 Cb 0.20 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1xgk h GLU 260 CO -0.19 0.55 0.06 0.37 -1.00 0.00 0.00 179.01 178.81 1xgk h GLN 261 N 0.33 0.31 -0.58 2.33 5.75 -0.57 -2.33 115.11 120.34 1xgk h GLN 261 Ca 0.06 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.43 1xgk h GLN 261 Cb 0.55 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 29.02 1xgk h GLN 261 CO 0.04 0.41 0.15 -0.07 -2.65 0.00 0.00 178.83 176.71 1xgk h LEU 262 N 0.15 0.84 -0.89 -2.39 3.38 -0.35 -1.96 115.31 114.10 1xgk h LEU 262 Ca 0.07 -0.15 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1xgk h LEU 262 Cb 0.23 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1xgk h LEU 262 CO -0.00 0.82 -0.20 -0.33 0.09 0.00 0.00 178.44 178.81 1xgk h GLU 263 N 0.86 0.60 -0.50 1.13 5.08 -1.01 -0.64 114.58 120.09 1xgk h GLU 263 Ca 0.19 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1xgk h GLU 263 Cb 0.30 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1xgk h GLU 263 CO -0.00 0.76 -0.13 0.00 -1.00 0.00 0.00 179.01 178.64 1xgk h ALA 264 N 1.25 0.81 -0.73 3.43 0.00 -1.14 -2.40 119.26 120.48 1xgk h ALA 264 Ca 0.08 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1xgk h ALA 264 Cb 0.64 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1xgk h ALA 264 CO 0.05 0.66 0.34 0.82 0.00 0.00 0.00 179.25 181.11 1xgk h ILE 265 N 0.85 1.24 -0.92 0.00 2.04 -0.87 0.11 117.51 119.97 1xgk h ILE 265 Ca 0.13 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.33 1xgk h ILE 265 Cb 0.68 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 1xgk h ILE 265 CO 0.05 0.29 0.59 -0.33 0.00 0.00 0.00 178.15 178.75 1xgk h GLU 266 N 1.03 1.10 0.03 2.37 5.08 -0.80 0.42 114.58 123.81 1xgk h GLU 266 Ca 0.25 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1xgk h GLU 266 Cb 0.14 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1xgk h GLU 266 CO -0.03 0.73 -0.02 0.28 -1.00 0.00 0.00 179.01 178.97 1xgk h VAL 267 N 1.14 1.34 -0.22 3.13 2.07 -0.99 0.47 116.25 123.19 1xgk h VAL 267 Ca 0.37 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.59 1xgk h VAL 267 Cb 0.04 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 1xgk h VAL 267 CO -0.13 0.32 0.01 0.58 0.02 0.00 0.00 177.57 178.37 1xgk h VAL 268 N -0.61 1.25 0.00 2.57 2.07 -0.59 -1.16 116.25 119.78 1xgk h VAL 268 Ca -0.00 -0.86 -0.29 0.00 0.82 0.00 0.00 66.70 66.37 1xgk h VAL 268 Cb 0.56 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 1xgk h VAL 268 CO 0.01 0.27 -2.24 0.49 0.02 0.00 0.00 177.57 176.11 1xgk n PHE 269 N -4.68 0.00 -0.02 1.57 3.01 0.12 -1.06 117.46 116.40 1xgk n PHE 269 Ca -0.04 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.41 1xgk n PHE 269 Cb 0.23 -0.86 -0.00 0.00 -0.01 0.00 0.00 39.48 38.84 1xgk n PHE 269 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1xgk h GLY 270 N 3.76 -0.06 0.45 1.37 0.00 -1.06 -3.11 103.07 104.43 1xgk h GLY 270 Ca -0.42 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1xgk h GLY 270 CO 0.02 -0.02 -0.06 0.83 0.00 0.00 0.00 176.54 177.31 1xgk h GLU 271 N -0.80 0.08 0.00 4.80 5.08 -0.79 -3.38 114.58 119.57 1xgk h GLU 271 Ca -0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1xgk h GLU 271 Cb 0.04 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1xgk h GLU 271 CO 0.01 0.67 -0.95 0.72 -1.00 0.00 0.00 179.01 178.47 1xgk n HIS 272 N -4.72 0.19 -4.03 4.33 8.25 -0.46 -4.99 115.22 113.79 1xgk n HIS 272 Ca -0.09 0.05 -0.32 0.00 -0.26 0.00 0.00 57.72 57.11 1xgk n HIS 272 Cb 0.34 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1xgk n HIS 272 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1xgk n LYS 273 N -1.83 -4.39 -2.25 -0.41 5.02 -0.92 -4.93 118.16 108.45 1xgk n LYS 273 Ca 0.03 0.49 -0.32 0.00 -2.02 0.00 0.00 58.31 56.49 1xgk n LYS 273 Cb 0.41 -5.24 -0.02 0.00 -0.02 0.00 0.00 35.03 30.16 1xgk n LYS 273 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xgk s ALA 274 N -3.37 2.97 0.55 7.82 0.00 -0.23 -4.99 121.76 124.52 1xgk s ALA 274 Ca 0.61 0.22 -0.20 0.00 0.00 0.00 0.00 51.96 52.60 1xgk s ALA 274 Cb -0.32 -3.15 -0.05 0.00 0.00 0.00 0.00 23.12 19.60 1xgk s ALA 274 CO 0.87 -0.45 1.16 -1.25 0.00 0.00 0.00 175.76 176.10 1xgk s PRO 275 N -4.16 3.28 0.13 0.00 0.04 -1.26 -4.73 135.00 128.29 1xgk s PRO 275 Ca 0.60 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 63.18 1xgk s PRO 275 Cb -0.12 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 1xgk s PRO 275 CO 0.35 -0.93 1.72 -0.92 0.04 0.00 0.00 177.00 177.26 1xgk h TYR 276 N 1.21 0.46 -3.53 0.56 5.03 -1.95 -3.31 116.97 115.44 1xgk h TYR 276 Ca -0.50 -0.01 -0.71 0.00 2.58 0.00 0.00 58.73 60.09 1xgk h TYR 276 Cb 1.27 -0.14 -0.34 0.00 1.55 0.00 0.00 36.73 39.07 1xgk h TYR 276 CO 0.50 0.38 -0.37 -0.06 -1.32 0.00 0.00 178.16 177.29 1xgk s PHE 277 N -5.81 3.47 -1.87 -3.82 0.08 -1.26 -4.88 117.98 103.89 1xgk s PHE 277 Ca -0.13 -2.53 0.32 0.00 0.12 0.00 0.00 56.93 54.71 1xgk s PHE 277 Cb 0.09 -3.28 1.81 0.00 -0.57 0.00 0.00 43.02 41.08 1xgk s PHE 277 CO 0.73 -0.89 2.19 -0.35 -0.10 0.00 0.00 175.22 176.79 1xgk n PRO 278 N 3.87 0.87 -2.15 0.24 -0.04 -1.25 -4.68 135.00 131.87 1xgk n PRO 278 Ca 0.05 -0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 1xgk n PRO 278 Cb 0.39 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.33 1xgk n PRO 278 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xgk s LEU 279 N -2.13 4.43 0.43 1.53 1.02 -1.26 -4.90 118.68 117.80 1xgk s LEU 279 Ca 0.43 2.61 0.19 0.00 0.02 0.00 0.00 54.13 57.39 1xgk s LEU 279 Cb 0.22 -3.64 1.13 0.00 0.02 0.00 0.00 46.19 43.92 1xgk s LEU 279 CO 0.39 -0.52 1.84 1.55 0.02 0.00 0.00 176.35 179.62 1xgk h PRO 280 N 3.95 0.35 0.00 1.29 0.13 -1.90 0.58 132.00 136.40 1xgk h PRO 280 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1xgk h PRO 280 Cb 1.22 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1xgk h PRO 280 CO 0.69 0.23 0.00 -0.85 -0.23 0.00 0.00 178.00 177.84 1xgk n GLU 281 N -4.51 0.18 -0.37 0.86 0.28 -1.26 -2.02 120.64 113.80 1xgk n GLU 281 Ca 0.21 0.43 0.12 0.00 -0.16 0.00 0.00 57.16 57.75 1xgk n GLU 281 Cb 0.77 -1.85 0.32 0.00 1.43 0.00 0.00 31.44 32.11 1xgk n GLU 281 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1xgk n PHE 282 N -2.19 0.98 0.00 -1.84 0.99 0.19 -4.98 117.46 110.61 1xgk n PHE 282 Ca 0.02 -0.49 0.00 0.00 -0.00 0.00 0.00 57.45 56.98 1xgk n PHE 282 Cb 0.21 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.69 1xgk n PHE 282 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1xgk n SER 283 N 1.63 0.00 -0.76 4.37 7.64 -0.86 -4.75 113.62 120.89 1xgk n SER 283 Ca 0.24 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.18 1xgk n SER 283 Cb 0.62 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.79 1xgk n SER 283 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1xgk n PRO 309 N 0.00 -1.88 -1.89 1.43 -0.02 -1.26 -4.78 135.00 126.60 1xgk n PRO 309 Ca 0.00 1.50 -0.42 0.00 -2.02 0.00 0.00 63.50 62.56 1xgk n PRO 309 Cb 0.00 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 1xgk n PRO 309 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1xgk s GLY 310 N -5.07 1.60 0.00 -1.23 0.00 -1.26 -2.34 107.32 99.02 1xgk s GLY 310 Ca 0.00 1.42 0.00 0.00 0.00 0.00 0.00 44.72 46.14 1xgk s GLY 310 CO 0.00 2.64 0.00 0.61 0.00 0.00 0.00 173.10 176.35 1xgk n GLY 311 N 3.55 2.52 3.73 0.20 0.00 -1.26 -5.03 105.19 108.90 1xgk n GLY 311 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1xgk n GLY 311 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xgk s VAL 312 N -2.20 3.32 -0.06 1.61 1.01 -0.99 -5.02 120.40 118.07 1xgk s VAL 312 Ca 0.00 1.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 1xgk s VAL 312 Cb 0.00 -3.64 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1xgk s VAL 312 CO 0.00 0.11 0.06 -0.63 0.00 0.00 0.00 175.10 174.64 1xgk s ILE 313 N 0.63 -0.10 0.12 2.22 1.01 -1.26 -4.93 121.20 118.90 1xgk s ILE 313 Ca 0.60 0.36 -0.24 0.00 0.00 0.00 0.00 60.65 61.37 1xgk s ILE 313 Cb -0.36 -0.21 -0.07 0.00 0.01 0.00 0.00 42.46 41.83 1xgk s ILE 313 CO 0.34 0.13 0.73 -0.44 0.00 0.00 0.00 174.94 175.70 1xgk s SER 314 N 2.16 7.29 0.14 3.58 0.01 -1.26 -5.02 113.70 120.60 1xgk s SER 314 Ca 0.05 1.53 -0.31 0.00 1.31 0.00 0.00 55.95 58.52 1xgk s SER 314 Cb -0.12 -2.46 -0.10 0.00 0.21 0.00 0.00 66.02 63.55 1xgk s SER 314 CO -0.04 0.19 1.61 -1.58 0.41 0.00 0.00 173.24 173.83 1xgk s GLN 315 N -0.94 4.20 0.29 12.44 0.74 -1.26 -5.01 119.66 130.12 1xgk s GLN 315 Ca 0.35 2.38 -0.09 0.00 0.05 0.00 0.00 55.36 58.04 1xgk s GLN 315 Cb -0.22 -3.28 -0.07 0.00 1.10 0.00 0.00 33.01 30.54 1xgk s GLN 315 CO 0.24 -0.66 0.62 1.03 -0.55 0.00 0.00 175.29 175.97 1xgk s ARG 316 N 1.59 3.78 0.60 1.67 0.52 -1.26 -4.97 118.95 120.89 1xgk s ARG 316 Ca 0.72 0.29 0.30 0.00 -0.52 0.00 0.00 55.73 56.52 1xgk s ARG 316 Cb -0.43 -2.57 1.65 0.00 0.52 0.00 0.00 34.95 34.12 1xgk s ARG 316 CO 0.32 0.20 2.05 -0.24 0.02 0.00 0.00 175.30 177.65 1xgk h VAL 317 N 1.67 0.38 -0.01 3.52 3.04 -1.94 -1.26 116.25 121.65 1xgk h VAL 317 Ca -0.47 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 1xgk h VAL 317 Cb 1.18 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 1xgk h VAL 317 CO 0.67 0.00 -0.33 0.35 -1.01 0.00 0.00 177.57 177.25 1xgk n THR 318 N -3.65 0.00 0.16 3.17 -2.24 -1.26 -4.57 114.28 105.89 1xgk n THR 318 Ca 0.02 -0.11 -0.14 0.00 -2.27 0.00 0.00 64.05 61.56 1xgk n THR 318 Cb 0.40 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 69.00 1xgk n THR 318 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1xgk h ASP 319 N 1.05 -0.71 -0.58 3.42 3.32 -1.53 -1.98 116.42 119.40 1xgk h ASP 319 Ca 0.00 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1xgk h ASP 319 Cb 0.52 0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.30 1xgk h ASP 319 CO 0.00 -0.37 0.23 -0.33 -1.72 0.00 0.00 179.24 177.05 1xgk h GLU 320 N -0.53 0.86 -0.17 3.56 5.08 -1.80 -1.58 114.58 120.00 1xgk h GLU 320 Ca 0.00 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1xgk h GLU 320 Cb 0.51 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1xgk h GLU 320 CO -0.09 0.74 0.10 0.00 -1.00 0.00 0.00 179.01 178.76 1xgk h ALA 321 N 1.08 0.21 -0.06 3.43 0.00 -1.74 -0.49 119.26 121.69 1xgk h ALA 321 Ca 0.19 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1xgk h ALA 321 Cb 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1xgk h ALA 321 CO -0.02 -0.32 -0.09 0.00 0.00 0.00 0.00 179.25 178.83 1xgk h ARG 322 N 0.21 0.09 -0.13 0.00 3.08 -1.19 -0.95 114.38 115.48 1xgk h ARG 322 Ca 0.07 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.94 1xgk h ARG 322 Cb -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1xgk h ARG 322 CO -0.03 0.18 -0.62 -0.22 -1.07 0.00 0.00 179.97 178.21 1xgk h LYS 323 N 0.08 0.47 -0.49 0.04 3.64 -0.47 -3.10 116.57 116.74 1xgk h LYS 323 Ca 0.02 -0.33 -0.11 0.00 -1.27 0.00 0.00 60.65 58.96 1xgk h LYS 323 Cb 0.21 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1xgk h LYS 323 CO 0.01 0.94 -0.12 -0.07 -2.27 0.00 0.00 179.45 177.94 1xgk h LEU 324 N 0.35 0.96 -6.81 5.20 3.38 -0.11 -3.41 115.31 114.87 1xgk h LEU 324 Ca -0.01 -0.36 -0.44 0.00 0.09 0.00 0.00 57.88 57.16 1xgk h LEU 324 Cb 1.16 -0.26 -0.38 0.00 0.09 0.00 0.00 40.66 41.27 1xgk h LEU 324 CO 0.11 1.10 -0.72 0.86 0.09 0.00 0.00 178.44 179.88 1xgk s TRP 325 N -4.80 0.06 -0.88 1.13 -0.00 -0.46 -4.75 118.94 109.23 1xgk s TRP 325 Ca -0.12 -0.44 0.27 0.00 -0.00 0.00 0.00 56.10 55.82 1xgk s TRP 325 Cb 0.12 -0.69 1.05 0.00 -0.00 0.00 0.00 33.47 33.95 1xgk s TRP 325 CO 0.85 -0.73 1.85 -1.13 -0.00 0.00 0.00 176.95 177.80 1xgk n SER 326 N 5.28 0.34 -1.75 5.86 3.41 -1.18 -3.78 113.62 121.79 1xgk n SER 326 Ca -0.06 0.53 -0.08 0.00 -0.26 0.00 0.00 58.87 59.01 1xgk n SER 326 Cb 0.46 -0.62 0.20 0.00 -0.26 0.00 0.00 64.21 63.99 1xgk n SER 326 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xgk n GLY 327 N 1.36 3.32 3.72 5.00 0.00 -1.26 -4.99 105.19 112.35 1xgk n GLY 327 Ca 0.06 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 1xgk n GLY 327 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1xgk s TRP 328 N -2.38 2.06 -0.00 1.61 1.48 -1.25 -5.01 118.94 115.45 1xgk s TRP 328 Ca 0.41 1.58 0.03 0.00 -1.06 0.00 0.00 56.10 57.07 1xgk s TRP 328 Cb 0.33 -3.50 -0.03 0.00 -1.16 0.00 0.00 33.47 29.11 1xgk s TRP 328 CO 0.10 -2.64 -0.06 1.03 -4.06 0.00 0.00 176.95 171.31 1xgk s ARG 329 N -3.82 2.59 0.65 3.25 0.52 -1.26 -5.14 118.95 115.74 1xgk s ARG 329 Ca 0.75 -0.70 0.03 0.00 -0.52 0.00 0.00 55.73 55.30 1xgk s ARG 329 Cb -0.30 -2.53 0.10 0.00 0.52 0.00 0.00 34.95 32.75 1xgk s ARG 329 CO 0.44 0.61 0.90 0.16 0.02 0.00 0.00 175.30 177.43 1xgk s ASP 330 N -1.41 4.70 0.26 0.23 1.47 -1.26 -4.63 116.67 116.03 1xgk s ASP 330 Ca 0.17 -0.52 -0.04 0.00 1.18 0.00 0.00 52.55 53.34 1xgk s ASP 330 Cb -0.11 0.03 0.31 0.00 -0.34 0.00 0.00 42.92 42.81 1xgk s ASP 330 CO 0.08 -1.61 1.87 -0.03 0.68 0.00 0.00 175.17 176.16 1xgk h MET 331 N -0.21 1.11 -0.90 2.11 1.85 -1.99 -2.27 114.93 114.64 1xgk h MET 331 Ca -0.34 -0.14 -0.02 0.00 -0.61 0.00 0.00 59.70 58.59 1xgk h MET 331 Cb 1.28 -0.21 -0.04 0.00 0.43 0.00 0.00 31.60 33.05 1xgk h MET 331 CO 0.41 0.84 0.50 1.49 -0.40 0.00 0.00 176.91 179.74 1xgk h GLU 332 N 1.11 1.26 -0.59 0.39 4.22 -1.94 -0.70 114.58 118.33 1xgk h GLU 332 Ca 0.28 -0.15 -0.10 0.00 0.08 0.00 0.00 59.36 59.47 1xgk h GLU 332 Cb 0.07 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1xgk h GLU 332 CO -0.04 0.92 -0.02 0.93 -2.18 0.00 0.00 179.01 178.61 1xgk h GLU 333 N 1.26 1.05 0.26 1.92 5.08 -1.85 -1.99 114.58 120.32 1xgk h GLU 333 Ca 0.32 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1xgk h GLU 333 Cb 0.02 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1xgk h GLU 333 CO -0.05 1.04 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.96 1xgk h TYR 334 N 0.94 -0.33 -0.96 4.33 5.03 -0.92 0.47 116.97 125.54 1xgk h TYR 334 Ca 0.16 -0.01 0.08 0.00 2.58 0.00 0.00 58.73 61.54 1xgk h TYR 334 Cb 0.58 0.11 -0.07 0.00 1.55 0.00 0.00 36.73 38.90 1xgk h TYR 334 CO 0.04 -0.13 0.61 0.00 -1.32 0.00 0.00 178.16 177.36 1xgk h ALA 335 N 0.27 1.35 0.19 1.82 0.00 -1.08 0.56 119.26 122.37 1xgk h ALA 335 Ca -0.04 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 1xgk h ALA 335 Cb 0.34 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xgk h ALA 335 CO 0.06 0.34 -1.51 -0.09 0.00 0.00 0.00 179.25 178.05 1xgk h ARG 336 N 1.07 0.41 0.00 0.00 2.43 -1.30 -3.37 114.38 113.63 1xgk h ARG 336 Ca 0.43 -0.70 -0.19 0.00 -0.81 0.00 0.00 59.98 58.71 1xgk h ARG 336 Cb 0.24 0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 30.01 1xgk h ARG 336 CO -0.19 1.32 -2.04 0.39 -1.51 0.00 0.00 179.97 177.94 1xgk n GLU 337 N -3.61 0.95 -0.04 0.20 1.02 0.15 -4.71 120.64 114.60 1xgk n GLU 337 Ca -0.17 -0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 56.83 1xgk n GLU 337 Cb 1.07 -1.44 -0.04 0.00 -0.02 0.00 0.00 31.44 31.02 1xgk n GLU 337 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1xgk n VAL 338 N -2.43 0.47 -0.27 2.62 0.31 -0.15 -4.66 118.33 114.22 1xgk n VAL 338 Ca -0.18 -0.16 0.08 0.00 -0.01 0.00 0.00 64.34 64.08 1xgk n VAL 338 Cb 0.82 -1.10 0.23 0.00 -0.91 0.00 0.00 33.84 32.88 1xgk n VAL 338 CO 0.00 0.00 0.00 0.15 -1.32 0.00 0.00 176.83 175.66 1xgk h PHE 339 N -0.12 0.45 -0.50 3.52 3.57 -1.13 -0.72 116.94 122.01 1xgk h PHE 339 Ca -0.20 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.31 1xgk h PHE 339 Cb 1.25 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 1xgk h PHE 339 CO -0.00 -0.05 0.16 -1.35 -2.23 0.00 0.00 178.31 174.83 1xgk h PRO 340 N 0.35 0.74 -0.08 6.41 0.11 -1.83 -0.74 132.00 136.96 1xgk h PRO 340 Ca 0.47 -0.12 -0.08 0.00 0.11 0.00 0.00 66.00 66.38 1xgk h PRO 340 Cb 0.82 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1xgk h PRO 340 CO -0.50 0.64 -0.25 0.82 -0.21 0.00 0.00 178.00 178.49 1xgk h ILE 341 N 0.72 1.42 -0.85 4.15 1.08 -1.46 -1.55 117.51 121.02 1xgk h ILE 341 Ca 0.17 -1.63 -0.02 0.00 -0.39 0.00 0.00 64.86 62.99 1xgk h ILE 341 Cb 0.21 2.27 -0.04 0.00 -3.07 0.00 0.00 36.82 36.19 1xgk h ILE 341 CO -0.01 0.47 0.47 -0.33 -0.69 0.00 0.00 178.15 178.05 1xgk h GLU 342 N -0.18 1.18 -0.06 2.37 5.08 -1.09 0.73 114.58 122.61 1xgk h GLU 342 Ca -0.01 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1xgk h GLU 342 Cb 0.88 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 1xgk h GLU 342 CO 0.05 0.86 0.02 0.93 -1.00 0.00 0.00 179.01 179.88 1xgk h GLU 343 N 1.19 0.10 -0.66 2.33 4.39 -1.14 -1.50 114.58 119.29 1xgk h GLU 343 Ca 0.30 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.96 1xgk h GLU 343 Cb 0.02 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 1xgk h GLU 343 CO -0.05 0.25 0.32 1.49 -1.16 0.00 0.00 179.01 179.86 1xgk h GLU 344 N -0.08 0.93 0.00 2.33 4.81 -0.92 -1.05 114.58 120.60 1xgk h GLU 344 Ca 0.02 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1xgk h GLU 344 Cb 0.20 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 1xgk h GLU 344 CO -0.00 0.72 -0.16 0.00 -0.73 0.00 0.00 179.01 178.84 1xgk h ALA 345 N 1.42 1.48 -0.03 2.92 0.00 -0.65 -0.99 119.26 123.40 1xgk h ALA 345 Ca 0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xgk h ALA 345 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xgk h ALA 345 CO -0.03 0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.50 1xgk n ASN 346 N -3.97 1.06 0.00 0.00 3.02 -0.50 -4.91 115.26 109.96 1xgk n ASN 346 Ca -0.02 -1.40 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 1xgk n ASN 346 Cb 0.24 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 1xgk n ASN 346 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xgk n GLY 347 N 1.10 0.72 3.79 7.41 0.00 -0.38 -5.07 105.19 112.77 1xgk n GLY 347 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1xgk n GLY 347 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xgk s LEU 348 N 0.00 3.29 0.00 0.99 2.01 -0.58 -4.98 118.68 119.40 1xgk s LEU 348 Ca 0.00 1.80 0.00 0.00 0.01 0.00 0.00 54.13 55.94 1xgk s LEU 348 Cb 0.00 -4.52 0.00 0.00 0.01 0.00 0.00 46.19 41.68 1xgk s LEU 348 CO 0.00 -1.49 0.02 0.47 1.01 0.00 0.00 176.35 176.36 1xgk n ASP 349 N -2.69 0.05 0.01 2.29 8.00 -1.26 -4.35 116.55 118.60 1xgk n ASP 349 Ca 0.09 -0.51 0.22 0.00 0.71 0.00 0.00 54.79 55.30 1xgk n ASP 349 Cb 0.53 0.93 0.73 0.00 -0.02 0.00 0.00 41.12 43.28 1xgk n ASP 349 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 1xgk h TRP 350 N 0.00 0.00 -0.08 1.24 5.08 -1.98 0.22 115.95 120.43 1xgk h TRP 350 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1xgk h TRP 350 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 1xgk h TRP 350 CO 0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 1xgk n MET 351 N -3.95 1.31 -0.68 0.12 0.00 -1.26 -5.20 117.12 107.47 1xgk n MET 351 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 57.70 57.34 1xgk n MET 351 Cb 0.71 -1.30 0.00 0.00 0.00 0.00 0.00 33.22 32.63 1xgk n MET 351 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86