#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xgs s ASP 2 N 0.00 1.26 0.55 3.17 1.01 -1.26 -5.02 116.67 116.37 1xgs s ASP 2 Ca 0.00 -0.18 0.32 0.00 0.71 0.00 0.00 52.55 53.40 1xgs s ASP 2 Cb 0.00 0.47 1.56 0.00 1.01 0.00 0.00 42.92 45.96 1xgs s ASP 2 CO 0.00 -0.32 2.08 0.71 0.21 0.00 0.00 175.17 177.85 1xgs h THR 3 N 6.30 0.31 -0.47 -1.27 1.35 -2.01 -3.21 112.91 113.91 1xgs h THR 3 Ca -0.17 -0.49 0.03 0.00 -0.55 0.00 0.00 66.41 65.23 1xgs h THR 3 Cb 1.15 1.36 -0.04 0.00 -1.73 0.00 0.00 68.15 68.90 1xgs h THR 3 CO 0.28 0.08 0.25 -0.08 -0.25 0.00 0.00 175.52 175.80 1xgs h GLU 4 N 0.00 0.49 -0.12 4.72 4.22 -1.99 0.27 114.58 122.18 1xgs h GLU 4 Ca -0.00 -0.03 -0.14 0.00 0.08 0.00 0.00 59.36 59.27 1xgs h GLU 4 Cb 0.36 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1xgs h GLU 4 CO 0.01 0.32 -0.54 0.87 -2.18 0.00 0.00 179.01 177.49 1xgs h LYS 5 N 0.50 0.36 -0.48 1.92 1.57 -1.91 -0.74 116.57 117.80 1xgs h LYS 5 Ca 0.20 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.64 1xgs h LYS 5 Cb 0.08 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1xgs h LYS 5 CO -0.12 0.81 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.36 1xgs h LEU 6 N 0.28 0.92 -0.45 2.94 3.38 -1.55 -0.36 115.31 120.47 1xgs h LEU 6 Ca 0.01 -0.30 -0.17 0.00 0.09 0.00 0.00 57.88 57.50 1xgs h LEU 6 Cb 1.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1xgs h LEU 6 CO 0.09 1.05 -0.66 0.24 0.09 0.00 0.00 178.44 179.25 1xgs h MET 7 N 0.81 0.45 -0.32 1.13 2.86 -0.81 -1.82 114.93 117.23 1xgs h MET 7 Ca 0.13 -0.34 -0.09 0.00 -2.06 0.00 0.00 59.70 57.34 1xgs h MET 7 Cb 0.67 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1xgs h MET 7 CO 0.05 0.96 -0.13 -0.22 1.06 0.00 0.00 176.91 178.62 1xgs h LYS 8 N 0.32 0.66 -0.84 1.72 1.63 -0.92 -0.35 116.57 118.79 1xgs h LYS 8 Ca -0.02 -0.28 -0.02 0.00 -0.85 0.00 0.00 60.65 59.49 1xgs h LYS 8 Cb 1.22 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.79 1xgs h LYS 8 CO 0.12 0.86 0.46 0.00 -3.45 0.00 0.00 179.45 177.44 1xgs h ALA 9 N 0.78 1.07 -0.57 5.00 0.00 -1.06 -1.41 119.26 123.07 1xgs h ALA 9 Ca 0.07 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1xgs h ALA 9 Cb 0.65 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1xgs h ALA 9 CO 0.04 0.58 0.07 0.78 0.00 0.00 0.00 179.25 180.72 1xgs h GLY 10 N 1.16 1.04 0.98 0.00 0.00 -1.11 0.40 103.07 105.54 1xgs h GLY 10 Ca 0.30 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.90 1xgs h GLY 10 CO -0.05 0.65 0.27 -2.09 0.00 0.00 0.00 176.54 175.32 1xgs h GLU 11 N 0.85 0.74 -0.27 4.80 4.81 -0.80 0.18 114.58 124.89 1xgs h GLU 11 Ca 0.17 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1xgs h GLU 11 Cb 0.45 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1xgs h GLU 11 CO 0.02 0.60 0.05 0.82 -0.73 0.00 0.00 179.01 179.76 1xgs h ILE 12 N 0.70 1.23 -0.92 2.32 2.04 -1.01 -2.23 117.51 119.63 1xgs h ILE 12 Ca 0.18 -0.77 0.06 0.00 1.00 0.00 0.00 64.86 65.34 1xgs h ILE 12 Cb 0.09 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 1xgs h ILE 12 CO -0.03 0.25 0.58 0.00 0.00 0.00 0.00 178.15 178.95 1xgs h ALA 13 N 0.87 1.27 -0.33 1.87 0.00 -0.62 -1.16 119.26 121.16 1xgs h ALA 13 Ca 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xgs h ALA 13 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1xgs h ALA 13 CO 0.00 0.34 0.12 -0.22 0.00 0.00 0.00 179.25 179.49 1xgs h LYS 14 N 1.05 0.51 0.04 0.00 3.64 -0.77 -1.28 116.57 119.76 1xgs h LYS 14 Ca 0.40 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1xgs h LYS 14 Cb 0.18 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1xgs h LYS 14 CO -0.18 0.53 -0.02 0.87 -2.27 0.00 0.00 179.45 178.38 1xgs h LYS 15 N 0.38 -0.05 -0.58 1.90 1.57 -0.73 -1.28 116.57 117.78 1xgs h LYS 15 Ca 0.11 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1xgs h LYS 15 Cb 0.22 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1xgs h LYS 15 CO -0.01 -0.00 -0.00 -0.39 -0.57 0.00 0.00 179.45 178.48 1xgs h VAL 16 N -0.09 1.26 -0.64 0.50 -1.51 -1.23 -2.16 116.25 112.39 1xgs h VAL 16 Ca -0.01 -1.13 -0.01 0.00 -1.23 0.00 0.00 66.70 64.33 1xgs h VAL 16 Cb 0.07 0.82 -0.03 0.00 -2.13 0.00 0.00 31.29 30.02 1xgs h VAL 16 CO 0.01 0.41 0.36 -0.09 -1.23 0.00 0.00 177.57 177.03 1xgs h ARG 17 N 0.92 0.88 -0.00 5.19 2.43 -1.09 0.13 114.38 122.84 1xgs h ARG 17 Ca 0.17 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 1xgs h ARG 17 Cb 0.54 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1xgs h ARG 17 CO 0.03 0.65 -0.37 0.93 -1.51 0.00 0.00 179.97 179.70 1xgs h GLU 18 N 0.87 0.01 0.02 0.20 4.39 -1.05 -2.07 114.58 116.94 1xgs h GLU 18 Ca 0.23 -0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.66 1xgs h GLU 18 Cb 0.01 -0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1xgs h GLU 18 CO -0.04 0.38 -1.07 -0.22 -1.16 0.00 0.00 179.01 176.90 1xgs h LYS 19 N 0.00 0.67 -0.84 2.33 1.63 -0.85 -3.16 116.57 116.36 1xgs h LYS 19 Ca -0.00 -0.75 0.07 0.00 -0.85 0.00 0.00 60.65 59.12 1xgs h LYS 19 Cb 0.66 0.22 -0.06 0.00 -0.60 0.00 0.00 32.23 32.45 1xgs h LYS 19 CO 0.05 1.32 0.55 0.00 -3.45 0.00 0.00 179.45 177.92 1xgs h ALA 20 N 0.41 1.61 -0.80 5.00 0.00 -0.45 -0.74 119.26 124.30 1xgs h ALA 20 Ca -0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1xgs h ALA 20 Cb 1.72 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1xgs h ALA 20 CO 0.21 0.26 0.36 0.82 0.00 0.00 0.00 179.25 180.90 1xgs h ILE 21 N 0.90 1.25 -0.11 0.00 2.04 -1.35 -2.11 117.51 118.14 1xgs h ILE 21 Ca 0.37 -0.75 -0.09 0.00 1.00 0.00 0.00 64.86 65.39 1xgs h ILE 21 Cb 0.26 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1xgs h ILE 21 CO -0.14 0.31 -0.34 0.11 0.00 0.00 0.00 178.15 178.10 1xgs h LYS 22 N 1.14 0.21 0.00 2.37 1.57 -1.13 -2.81 116.57 117.93 1xgs h LYS 22 Ca 0.27 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1xgs h LYS 22 Cb 0.15 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1xgs h LYS 22 CO -0.03 0.53 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.26 1xgs h LEU 23 N 0.19 0.00 -6.86 2.94 3.38 -1.08 -3.41 115.31 110.47 1xgs h LEU 23 Ca 0.02 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.38 1xgs h LEU 23 Cb 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1xgs h LEU 23 CO 0.05 0.05 2.32 0.00 0.09 0.00 0.00 178.44 180.95 1xgs n ALA 24 N -2.11 3.76 -2.62 1.53 0.00 -0.82 -4.82 120.51 115.43 1xgs n ALA 24 Ca 0.03 -3.53 -0.26 0.00 0.00 0.00 0.00 53.44 49.68 1xgs n ALA 24 Cb 0.51 -3.58 -0.08 0.00 0.00 0.00 0.00 19.45 16.31 1xgs n ALA 24 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xgs s ARG 25 N 4.58 2.24 0.19 0.00 0.52 -1.26 -4.47 118.95 120.75 1xgs s ARG 25 Ca 0.56 -1.22 -0.33 0.00 -0.52 0.00 0.00 55.73 54.21 1xgs s ARG 25 Cb 0.10 -2.24 -0.13 0.00 0.52 0.00 0.00 34.95 33.19 1xgs s ARG 25 CO 0.05 0.43 1.58 -2.30 0.02 0.00 0.00 175.30 175.08 1xgs n PRO 26 N -0.17 2.28 0.00 3.54 -0.02 -1.26 -1.65 135.00 137.72 1xgs n PRO 26 Ca -0.10 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1xgs n PRO 26 Cb 0.56 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 1xgs n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xgs n GLY 27 N 3.23 1.23 3.74 -1.23 0.00 0.57 -4.98 105.19 107.74 1xgs n GLY 27 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1xgs n GLY 27 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xgs s MET 28 N -0.93 4.35 0.07 1.61 0.00 -0.66 -4.64 119.30 119.10 1xgs s MET 28 Ca 0.00 2.12 -0.30 0.00 0.00 0.00 0.00 55.69 57.50 1xgs s MET 28 Cb 0.00 -3.18 -0.05 0.00 0.00 0.00 0.00 34.83 31.60 1xgs s MET 28 CO 0.00 -0.32 1.13 -1.17 0.00 0.00 0.00 175.02 174.66 1xgs s LEU 29 N -0.01 4.39 0.20 4.11 2.96 -1.26 -0.77 118.68 128.30 1xgs s LEU 29 Ca 0.58 1.95 -0.10 0.00 -0.22 0.00 0.00 54.13 56.34 1xgs s LEU 29 Cb -0.38 -3.58 0.18 0.00 0.50 0.00 0.00 46.19 42.91 1xgs s LEU 29 CO 0.38 -0.38 1.84 -0.07 -1.32 0.00 0.00 176.35 176.80 1xgs h LEU 30 N 6.50 0.66 -0.63 -0.68 3.38 -1.48 -1.77 115.31 121.29 1xgs h LEU 30 Ca -0.42 0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.62 1xgs h LEU 30 Cb 1.21 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.78 1xgs h LEU 30 CO 0.78 0.45 0.34 0.25 0.09 0.00 0.00 178.44 180.35 1xgs h LEU 31 N 0.79 0.49 -0.69 1.67 5.85 -1.81 0.54 115.31 122.14 1xgs h LEU 31 Ca 0.27 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.97 1xgs h LEU 31 Cb 0.05 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1xgs h LEU 31 CO -0.12 0.32 0.21 -0.08 -0.34 0.00 0.00 178.44 178.43 1xgs h GLU 32 N 0.62 1.07 -0.19 1.25 4.81 -1.81 -1.69 114.58 118.65 1xgs h GLU 32 Ca 0.29 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1xgs h GLU 32 Cb 0.19 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1xgs h GLU 32 CO -0.19 0.93 0.06 1.25 -0.73 0.00 0.00 179.01 180.33 1xgs h LEU 33 N 1.01 0.28 -0.19 1.64 5.85 -0.67 -1.93 115.31 121.31 1xgs h LEU 33 Ca 0.22 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1xgs h LEU 33 Cb 0.31 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 1xgs h LEU 33 CO -0.01 0.41 0.11 0.00 -0.34 0.00 0.00 178.44 178.61 1xgs h ALA 34 N 0.88 0.23 -0.02 1.25 0.00 -0.74 -2.32 119.26 118.54 1xgs h ALA 34 Ca 0.06 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1xgs h ALA 34 Cb 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1xgs h ALA 34 CO -0.00 -0.30 -0.37 0.93 0.00 0.00 0.00 179.25 179.51 1xgs h GLU 35 N 0.23 0.04 -0.08 0.00 5.08 -1.27 -1.91 114.58 116.68 1xgs h GLU 35 Ca 0.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1xgs h GLU 35 Cb -0.01 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1xgs h GLU 35 CO -0.03 0.40 -0.01 0.77 -1.00 0.00 0.00 179.01 179.13 1xgs h SER 36 N 0.03 0.14 -0.20 1.42 0.02 -1.05 -1.00 113.55 112.92 1xgs h SER 36 Ca 0.00 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1xgs h SER 36 Cb 0.66 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 1xgs h SER 36 CO 0.05 0.47 0.13 0.40 -1.14 0.00 0.00 176.83 176.73 1xgs h ILE 37 N -0.18 1.06 -0.19 3.27 2.04 -1.27 0.19 117.51 122.42 1xgs h ILE 37 Ca 0.02 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 1xgs h ILE 37 Cb 0.40 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1xgs h ILE 37 CO 0.01 0.06 -0.11 -0.33 0.00 0.00 0.00 178.15 177.77 1xgs h GLU 38 N 0.26 0.31 -0.30 2.37 5.08 -1.34 0.40 114.58 121.35 1xgs h GLU 38 Ca 0.07 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1xgs h GLU 38 Cb -0.01 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1xgs h GLU 38 CO -0.01 0.43 -0.53 0.87 -1.00 0.00 0.00 179.01 178.77 1xgs h LYS 39 N 0.29 0.89 -0.70 2.33 1.57 -0.75 -2.70 116.57 117.52 1xgs h LYS 39 Ca 0.06 -0.55 -0.04 0.00 -1.87 0.00 0.00 60.65 58.24 1xgs h LYS 39 Cb 0.39 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 1xgs h LYS 39 CO 0.02 1.19 0.27 1.98 -0.57 0.00 0.00 179.45 182.34 1xgs h MET 40 N 0.69 1.04 -0.24 3.15 4.05 0.03 0.19 114.93 123.83 1xgs h MET 40 Ca 0.02 -0.18 0.02 0.00 -0.28 0.00 0.00 59.70 59.28 1xgs h MET 40 Cb 1.14 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.74 1xgs h MET 40 CO 0.12 0.85 0.11 0.82 0.23 0.00 0.00 176.91 179.03 1xgs h ILE 41 N 1.01 0.97 0.37 1.77 2.04 -0.88 -2.09 117.51 120.70 1xgs h ILE 41 Ca 0.23 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 66.00 1xgs h ILE 41 Cb 0.21 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1xgs h ILE 41 CO -0.02 0.04 -0.20 0.24 0.00 0.00 0.00 178.15 178.21 1xgs h MET 42 N 0.23 -0.51 -0.13 2.37 2.86 -1.02 -2.60 114.93 116.12 1xgs h MET 42 Ca 0.10 0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1xgs h MET 42 Cb 0.04 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1xgs h MET 42 CO -0.08 -0.34 0.19 1.05 1.06 0.00 0.00 176.91 178.78 1xgs h GLU 43 N -0.53 0.00 -0.00 1.72 4.11 -0.49 -0.30 114.58 119.08 1xgs h GLU 43 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1xgs h GLU 43 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1xgs h GLU 43 CO 0.06 0.00 -0.35 1.28 0.07 0.00 0.00 179.01 180.06 1xgs n LEU 44 N -3.60 0.56 0.00 3.06 4.77 -0.80 -4.96 117.00 116.02 1xgs n LEU 44 Ca 0.00 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1xgs n LEU 44 Cb 0.29 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1xgs n LEU 44 CO 0.25 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1xgs n GLY 45 N 1.44 0.93 3.72 -0.72 0.00 -0.12 -5.07 105.19 105.38 1xgs n GLY 45 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1xgs n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xgs n GLY 46 N -1.25 3.25 3.31 -0.02 0.00 -1.02 -4.98 105.19 104.48 1xgs n GLY 46 Ca 0.00 -2.35 -0.24 0.00 0.00 0.00 0.00 46.02 43.43 1xgs n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xgs s LYS 47 N -4.01 1.21 0.32 1.61 -0.14 -1.13 -3.75 119.74 113.86 1xgs s LYS 47 Ca 0.12 -1.26 -0.28 0.00 -1.36 0.00 0.00 55.97 53.19 1xgs s LYS 47 Cb -0.01 -1.45 -0.10 0.00 -1.68 0.00 0.00 37.83 34.59 1xgs s LYS 47 CO 0.08 0.33 1.22 -2.14 -0.76 0.00 0.00 175.35 174.07 1xgs s PRO 48 N -2.17 4.41 0.33 -1.68 0.02 -1.26 -1.52 135.00 133.13 1xgs s PRO 48 Ca 0.10 2.03 0.24 0.00 0.02 0.00 0.00 61.00 63.39 1xgs s PRO 48 Cb -0.09 -3.05 0.44 0.00 0.02 0.00 0.00 34.50 31.82 1xgs s PRO 48 CO 0.05 -0.08 1.59 0.00 -0.33 0.00 0.00 177.00 178.24 1xgs h ALA 49 N 3.42 0.93 -1.95 -1.55 0.00 -1.37 -3.43 119.26 115.31 1xgs h ALA 49 Ca -0.48 0.00 0.18 0.00 0.00 0.00 0.00 54.91 54.61 1xgs h ALA 49 Cb 1.22 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.86 1xgs h ALA 49 CO 0.65 0.00 0.63 -0.59 0.00 0.00 0.00 179.25 179.94 1xgs s PHE 50 N -3.19 -0.22 0.28 0.00 -0.71 -1.26 -4.05 117.98 108.84 1xgs s PHE 50 Ca 0.07 0.10 -0.29 0.00 -1.04 0.00 0.00 56.93 55.77 1xgs s PHE 50 Cb 0.08 0.54 -0.10 0.00 -1.21 0.00 0.00 43.02 42.33 1xgs s PHE 50 CO 0.66 -0.44 1.32 -1.25 -1.34 0.00 0.00 175.22 174.17 1xgs s PRO 51 N -2.85 4.36 0.07 1.99 0.04 -1.26 -4.57 135.00 132.78 1xgs s PRO 51 Ca 0.08 2.17 -0.33 0.00 0.04 0.00 0.00 61.00 62.96 1xgs s PRO 51 Cb -0.01 -3.11 -0.12 0.00 0.04 0.00 0.00 34.50 31.30 1xgs s PRO 51 CO -0.06 -0.22 1.75 1.55 0.04 0.00 0.00 177.00 180.06 1xgs n VAL 52 N 1.51 0.29 -3.36 -0.36 3.14 -1.26 -4.92 118.33 113.36 1xgs n VAL 52 Ca 0.02 -0.05 -0.38 0.00 -2.96 0.00 0.00 64.34 60.97 1xgs n VAL 52 Cb 0.42 -1.80 -0.06 0.00 -1.06 0.00 0.00 33.84 31.34 1xgs n VAL 52 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1xgs s ASN 53 N 2.45 6.75 -0.38 6.55 0.02 -0.43 -4.54 114.94 125.36 1xgs s ASN 53 Ca 0.84 0.90 0.01 0.00 -1.02 0.00 0.00 52.86 53.59 1xgs s ASN 53 Cb -0.63 -2.28 0.12 0.00 0.02 0.00 0.00 41.25 38.47 1xgs s ASN 53 CO 0.42 0.12 0.16 -0.76 0.02 0.00 0.00 177.10 177.06 1xgs s LEU 54 N -0.00 2.90 -0.23 0.60 1.43 0.22 -1.11 118.68 122.49 1xgs s LEU 54 Ca 0.26 -2.23 -0.06 0.00 -1.03 0.00 0.00 54.13 51.07 1xgs s LEU 54 Cb -0.16 -1.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 1xgs s LEU 54 CO 0.12 -0.33 0.01 -0.44 0.23 0.00 0.00 176.35 175.94 1xgs s SER 55 N 0.84 4.74 -0.22 2.29 0.01 -0.67 -4.69 113.70 116.01 1xgs s SER 55 Ca 0.14 -0.28 -0.10 0.00 1.31 0.00 0.00 55.95 57.01 1xgs s SER 55 Cb -0.21 -1.83 -0.05 0.00 0.21 0.00 0.00 66.02 64.14 1xgs s SER 55 CO -0.10 -0.01 0.15 -0.63 0.41 0.00 0.00 173.24 173.06 1xgs s ILE 56 N 1.46 5.38 0.00 1.44 1.01 -1.25 -0.86 121.20 128.38 1xgs s ILE 56 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.90 1xgs s ILE 56 Cb -0.15 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.84 1xgs s ILE 56 CO 0.01 0.39 0.00 0.59 0.00 0.00 0.00 174.94 175.93 1xgs n ASN 57 N 3.90 0.00 0.02 3.58 3.02 -0.08 -1.35 115.26 124.35 1xgs n ASN 57 Ca -0.15 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.52 1xgs n ASN 57 Cb 0.52 0.00 0.50 0.00 -0.61 0.00 0.00 39.78 40.19 1xgs n ASN 57 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1xgs n GLU 58 N 0.00 0.05 -2.66 3.52 0.00 -1.26 -1.25 120.64 119.04 1xgs n GLU 58 Ca 0.00 0.12 -0.43 0.00 0.00 0.00 0.00 57.16 56.86 1xgs n GLU 58 Cb 0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 31.44 29.85 1xgs n GLU 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1xgs s ILE 59 N -3.04 4.53 -0.05 3.84 -1.09 -0.46 -0.47 121.20 124.47 1xgs s ILE 59 Ca 0.11 1.70 -0.23 0.00 -2.23 0.00 0.00 60.65 60.01 1xgs s ILE 59 Cb 0.15 -4.39 -0.29 0.00 -1.58 0.00 0.00 42.46 36.35 1xgs s ILE 59 CO 0.46 -0.46 0.92 0.00 -1.23 0.00 0.00 174.94 174.63 1xgs h ALA 60 N 8.08 -0.05 -2.67 9.38 0.00 -0.48 -3.32 119.26 130.19 1xgs h ALA 60 Ca -0.21 -0.63 0.11 0.00 0.00 0.00 0.00 54.91 54.18 1xgs h ALA 60 Cb 1.06 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1xgs h ALA 60 CO 1.02 0.29 0.50 0.00 0.00 0.00 0.00 179.25 181.07 1xgs s ALA 61 N -2.57 -1.36 -1.13 0.00 0.00 -1.20 -4.88 121.76 110.63 1xgs s ALA 61 Ca -0.14 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1xgs s ALA 61 Cb 0.01 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.87 1xgs s ALA 61 CO 0.80 -1.04 0.00 0.72 0.00 0.00 0.00 175.76 176.24 1xgs n HIS 62 N -0.66 -0.21 -3.87 0.00 8.25 -1.26 -1.70 115.22 115.77 1xgs n HIS 62 Ca -0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.06 1xgs n HIS 62 Cb 0.59 -2.33 -0.14 0.00 1.12 0.00 0.00 29.99 29.24 1xgs n HIS 62 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1xgs s TYR 63 N -2.48 2.99 -0.04 4.41 6.14 -1.26 -4.13 117.35 122.97 1xgs s TYR 63 Ca 0.00 -0.86 0.00 0.00 0.64 0.00 0.00 57.07 56.85 1xgs s TYR 63 Cb 0.00 -2.13 0.03 0.00 0.42 0.00 0.00 41.96 40.27 1xgs s TYR 63 CO 0.00 -0.52 -0.01 -0.08 0.64 0.00 0.00 175.55 175.58 1xgs s THR 64 N 1.50 0.31 1.07 4.34 -1.32 -1.26 -0.61 115.64 119.68 1xgs s THR 64 Ca 0.06 0.04 -0.17 0.00 -1.21 0.00 0.00 61.69 60.41 1xgs s THR 64 Cb -0.15 -0.40 0.09 0.00 -1.51 0.00 0.00 72.50 70.54 1xgs s THR 64 CO -0.02 0.19 0.16 -0.81 -2.21 0.00 0.00 174.62 171.94 1xgs n PRO 65 N 4.33 -1.26 -4.20 7.08 -0.04 -1.26 -4.90 135.00 134.75 1xgs n PRO 65 Ca -0.22 -0.34 -0.13 0.00 -0.04 0.00 0.00 63.50 62.77 1xgs n PRO 65 Cb 0.50 -1.77 -0.10 0.00 -0.04 0.00 0.00 33.50 32.09 1xgs n PRO 65 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1xgs s TYR 66 N -2.29 1.07 -0.07 0.54 -0.85 -1.26 -4.55 117.35 109.95 1xgs s TYR 66 Ca 0.57 -0.75 -0.29 0.00 -0.52 0.00 0.00 57.07 56.07 1xgs s TYR 66 Cb -0.15 -0.58 -0.07 0.00 0.38 0.00 0.00 41.96 41.54 1xgs s TYR 66 CO 0.66 -0.02 2.08 1.63 -1.52 0.00 0.00 175.55 178.39 1xgs n LYS 67 N 0.18 2.51 0.00 -3.49 4.76 -1.26 -1.17 118.16 119.69 1xgs n LYS 67 Ca -0.13 0.85 0.00 0.00 -2.87 0.00 0.00 58.31 56.15 1xgs n LYS 67 Cb 0.59 -3.10 0.00 0.00 -1.84 0.00 0.00 35.03 30.68 1xgs n LYS 67 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xgs n GLY 68 N 5.05 0.81 3.67 0.72 0.00 -1.26 -5.08 105.19 109.09 1xgs n GLY 68 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 1xgs n GLY 68 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xgs s ASP 69 N -1.30 7.03 0.00 1.61 3.68 -0.31 -4.92 116.67 122.46 1xgs s ASP 69 Ca 0.00 1.62 0.23 0.00 2.13 0.00 0.00 52.55 56.53 1xgs s ASP 69 Cb 0.00 -2.54 0.46 0.00 -1.45 0.00 0.00 42.92 39.39 1xgs s ASP 69 CO 0.00 -0.68 1.42 0.35 0.13 0.00 0.00 175.17 176.38 1xgs n THR 70 N 5.16 0.40 -1.70 1.71 -2.24 -1.26 -4.61 114.28 111.74 1xgs n THR 70 Ca 0.12 -0.65 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 1xgs n THR 70 Cb 0.46 0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 69.59 1xgs n THR 70 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xgs n THR 71 N 1.28 0.07 -4.39 4.28 -1.04 -1.26 -4.91 114.28 108.31 1xgs n THR 71 Ca 0.18 -0.01 -0.27 0.00 -2.04 0.00 0.00 64.05 61.91 1xgs n THR 71 Cb 0.56 -1.87 -0.12 0.00 -1.82 0.00 0.00 70.33 67.08 1xgs n THR 71 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1xgs s VAL 72 N 1.40 2.21 0.43 12.58 -7.23 -1.26 -1.20 120.40 127.32 1xgs s VAL 72 Ca 0.78 -1.87 -0.23 0.00 -1.81 0.00 0.00 61.98 58.85 1xgs s VAL 72 Cb -0.56 -2.00 -0.09 0.00 0.56 0.00 0.00 36.38 34.30 1xgs s VAL 72 CO 0.35 -0.05 1.05 -0.76 -0.31 0.00 0.00 175.10 175.38 1xgs s LEU 73 N -2.37 4.05 0.11 1.32 1.43 0.05 -4.89 118.68 118.37 1xgs s LEU 73 Ca 0.16 2.02 0.08 0.00 -1.03 0.00 0.00 54.13 55.36 1xgs s LEU 73 Cb -0.09 -4.30 -0.04 0.00 0.03 0.00 0.00 46.19 41.80 1xgs s LEU 73 CO 0.08 -0.60 -0.20 -0.54 0.23 0.00 0.00 176.35 175.32 1xgs s LYS 74 N -2.73 1.11 0.28 1.70 1.02 -1.26 -0.32 119.74 119.54 1xgs s LYS 74 Ca 0.61 -1.17 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 1xgs s LYS 74 Cb -0.21 -1.31 -0.12 0.00 -0.52 0.00 0.00 37.83 35.68 1xgs s LYS 74 CO 0.26 0.30 1.63 -1.91 -0.92 0.00 0.00 175.35 174.71 1xgs n GLU 75 N 1.00 2.76 0.00 1.68 2.13 -1.26 -2.10 120.64 124.85 1xgs n GLU 75 Ca -0.19 0.98 0.00 0.00 0.66 0.00 0.00 57.16 58.62 1xgs n GLU 75 Cb 0.54 -2.79 0.00 0.00 0.27 0.00 0.00 31.44 29.46 1xgs n GLU 75 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1xgs n GLY 76 N 2.50 0.63 3.76 8.31 0.00 0.11 -4.98 105.19 115.52 1xgs n GLY 76 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1xgs n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xgs s ASP 77 N -2.41 6.85 -0.73 1.61 -0.00 -0.89 -4.72 116.67 116.38 1xgs s ASP 77 Ca 0.00 2.57 -0.15 0.00 -0.00 0.00 0.00 52.55 54.97 1xgs s ASP 77 Cb 0.00 -2.64 0.17 0.00 -0.00 0.00 0.00 42.92 40.46 1xgs s ASP 77 CO 0.00 -0.50 0.71 -0.31 -0.00 0.00 0.00 175.17 175.07 1xgs s TYR 78 N -0.75 3.49 -0.23 4.23 1.51 -1.26 -0.89 117.35 123.45 1xgs s TYR 78 Ca 0.51 -1.64 -0.20 0.00 -1.01 0.00 0.00 57.07 54.73 1xgs s TYR 78 Cb -0.38 -3.87 -0.02 0.00 -0.11 0.00 0.00 41.96 37.57 1xgs s TYR 78 CO 0.47 -1.07 0.60 -1.17 -1.11 0.00 0.00 175.55 173.27 1xgs s LEU 79 N 1.03 4.10 -0.28 -1.29 2.96 0.64 -0.90 118.68 124.94 1xgs s LEU 79 Ca 0.14 0.73 -0.13 0.00 -0.22 0.00 0.00 54.13 54.65 1xgs s LEU 79 Cb -0.17 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.65 1xgs s LEU 79 CO -0.04 -0.30 0.27 -0.54 -1.32 0.00 0.00 176.35 174.43 1xgs s LYS 80 N 2.15 3.94 -0.37 1.98 3.01 -0.04 -0.75 119.74 129.65 1xgs s LYS 80 Ca 0.26 -0.19 -0.11 0.00 -1.01 0.00 0.00 55.97 54.91 1xgs s LYS 80 Cb -0.16 -3.67 0.02 0.00 -1.01 0.00 0.00 37.83 33.01 1xgs s LYS 80 CO 0.09 -0.25 0.21 0.42 0.51 0.00 0.00 175.35 176.34 1xgs s ILE 81 N 1.90 4.72 -0.29 2.17 1.01 -0.35 -1.67 121.20 128.69 1xgs s ILE 81 Ca 0.10 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 60.01 1xgs s ILE 81 Cb -0.16 -3.59 0.04 0.00 0.01 0.00 0.00 42.46 38.76 1xgs s ILE 81 CO 0.11 -0.18 0.00 -0.62 0.00 0.00 0.00 174.94 174.25 1xgs s ASP 82 N 1.59 4.83 -0.04 3.58 3.68 -0.27 -2.18 116.67 127.87 1xgs s ASP 82 Ca 0.03 -1.13 0.04 0.00 2.13 0.00 0.00 52.55 53.62 1xgs s ASP 82 Cb -0.19 -1.73 -0.03 0.00 -1.45 0.00 0.00 42.92 39.52 1xgs s ASP 82 CO 0.07 -0.23 -0.15 0.68 0.13 0.00 0.00 175.17 175.67 1xgs s VAL 83 N 1.30 3.03 -0.02 1.11 -7.23 -0.35 -1.31 120.40 116.93 1xgs s VAL 83 Ca -0.03 -0.76 0.02 0.00 -1.81 0.00 0.00 61.98 59.40 1xgs s VAL 83 Cb -0.19 -2.19 -0.00 0.00 0.56 0.00 0.00 36.38 34.56 1xgs s VAL 83 CO -0.01 0.57 -0.08 -0.83 -0.31 0.00 0.00 175.10 174.44 1xgs s GLY 84 N -0.78 0.46 0.05 2.32 0.00 -1.26 -1.35 107.32 106.76 1xgs s GLY 84 Ca 0.12 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 44.54 1xgs s GLY 84 CO 0.01 -0.18 -0.11 0.14 0.00 0.00 0.00 173.10 172.96 1xgs s VAL 85 N 0.01 0.80 0.00 1.40 1.01 -0.23 -1.11 120.40 122.27 1xgs s VAL 85 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1xgs s VAL 85 Cb -0.06 -0.80 -0.00 0.00 0.00 0.00 0.00 36.38 35.52 1xgs s VAL 85 CO -0.00 -0.23 -0.02 -1.38 0.00 0.00 0.00 175.10 173.48 1xgs s HIS 86 N -1.15 0.16 -0.32 5.22 -3.43 -0.57 -0.77 115.29 114.42 1xgs s HIS 86 Ca -0.05 -0.07 0.02 0.00 -0.80 0.00 0.00 55.06 54.16 1xgs s HIS 86 Cb -0.09 -0.10 0.08 0.00 -1.43 0.00 0.00 32.58 31.04 1xgs s HIS 86 CO 0.01 -0.02 0.01 0.42 -2.00 0.00 0.00 174.74 173.17 1xgs s ILE 87 N -0.16 2.51 -1.66 -5.38 -1.09 0.11 -2.81 121.20 112.72 1xgs s ILE 87 Ca -0.01 -1.91 -0.03 0.00 -2.23 0.00 0.00 60.65 56.47 1xgs s ILE 87 Cb -0.01 -2.65 0.00 0.00 -1.58 0.00 0.00 42.46 38.22 1xgs s ILE 87 CO -0.00 -0.35 0.32 0.47 -1.23 0.00 0.00 174.94 174.15 1xgs n ASP 88 N 4.42 -5.99 0.00 3.58 10.43 -1.26 -1.58 116.55 126.15 1xgs n ASP 88 Ca -0.06 -0.16 0.00 0.00 2.57 0.00 0.00 54.79 57.15 1xgs n ASP 88 Cb 0.42 -4.91 0.00 0.00 1.84 0.00 0.00 41.12 38.47 1xgs n ASP 88 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xgs n GLY 89 N -1.28 1.92 3.64 0.44 0.00 -1.26 -4.85 105.19 103.80 1xgs n GLY 89 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1xgs n GLY 89 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xgs s PHE 90 N -2.46 3.29 0.03 1.61 0.08 -0.62 -0.55 117.98 119.37 1xgs s PHE 90 Ca 0.00 1.21 -0.00 0.00 0.12 0.00 0.00 56.93 58.26 1xgs s PHE 90 Cb 0.00 -3.22 -0.04 0.00 -0.57 0.00 0.00 43.02 39.19 1xgs s PHE 90 CO 0.00 -0.49 0.15 0.42 -0.10 0.00 0.00 175.22 175.20 1xgs s ILE 91 N 3.07 5.10 -0.08 0.64 1.01 -1.26 -0.71 121.20 128.96 1xgs s ILE 91 Ca 0.39 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.64 1xgs s ILE 91 Cb -0.15 -3.43 0.01 0.00 0.01 0.00 0.00 42.46 38.91 1xgs s ILE 91 CO 0.08 0.22 -0.13 0.00 0.00 0.00 0.00 174.94 175.12 1xgs s ALA 92 N -1.38 1.38 -0.15 9.38 0.00 0.05 -4.88 121.76 126.17 1xgs s ALA 92 Ca 0.30 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 1xgs s ALA 92 Cb -0.13 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.38 1xgs s ALA 92 CO 0.22 0.05 -0.05 0.34 0.00 0.00 0.00 175.76 176.31 1xgs s ASP 93 N 0.78 2.63 0.06 0.00 2.15 -1.26 -1.07 116.67 119.96 1xgs s ASP 93 Ca -0.12 -0.56 -0.04 0.00 0.43 0.00 0.00 52.55 52.26 1xgs s ASP 93 Cb -0.16 -0.87 -0.02 0.00 -0.30 0.00 0.00 42.92 41.57 1xgs s ASP 93 CO 0.02 -0.17 0.07 0.28 -0.17 0.00 0.00 175.17 175.20 1xgs s THR 94 N 1.67 0.17 0.06 1.71 -1.32 -0.46 -3.17 115.64 114.30 1xgs s THR 94 Ca 0.02 -1.41 -0.19 0.00 -1.21 0.00 0.00 61.69 58.90 1xgs s THR 94 Cb -0.15 -1.26 0.04 0.00 -1.51 0.00 0.00 72.50 69.62 1xgs s THR 94 CO -0.08 -0.78 0.45 0.00 -2.21 0.00 0.00 174.62 172.00 1xgs s ALA 95 N -3.49 -1.11 0.02 11.08 0.00 -0.72 -1.22 121.76 126.33 1xgs s ALA 95 Ca 0.03 0.36 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 1xgs s ALA 95 Cb 0.04 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.57 1xgs s ALA 95 CO -0.09 -0.50 0.20 0.54 0.00 0.00 0.00 175.76 175.92 1xgs s VAL 96 N -2.63 0.10 -0.13 0.00 0.11 -0.92 -1.40 120.40 115.52 1xgs s VAL 96 Ca -0.04 -0.79 -0.02 0.00 -2.93 0.00 0.00 61.98 58.20 1xgs s VAL 96 Cb -0.00 -0.77 -0.03 0.00 -1.53 0.00 0.00 36.38 34.05 1xgs s VAL 96 CO -0.03 -0.43 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.35 1xgs s THR 97 N -2.15 3.70 -0.05 5.04 2.01 -1.14 -1.21 115.64 121.85 1xgs s THR 97 Ca -0.08 -0.44 0.06 0.00 0.31 0.00 0.00 61.69 61.54 1xgs s THR 97 Cb -0.03 -2.58 -0.01 0.00 0.01 0.00 0.00 72.50 69.88 1xgs s THR 97 CO -0.02 0.52 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.52 1xgs s VAL 98 N 0.08 1.87 -0.49 3.82 1.01 0.07 -4.97 120.40 121.79 1xgs s VAL 98 Ca -0.02 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.84 1xgs s VAL 98 Cb -0.14 -1.58 0.10 0.00 0.00 0.00 0.00 36.38 34.76 1xgs s VAL 98 CO 0.03 0.53 0.42 -0.60 0.00 0.00 0.00 175.10 175.47 1xgs s ARG 99 N -0.21 2.92 -0.28 2.72 3.52 -1.26 -0.26 118.95 126.11 1xgs s ARG 99 Ca -0.01 -1.51 -0.40 0.00 -0.13 0.00 0.00 55.73 53.69 1xgs s ARG 99 Cb -0.12 -4.15 -0.15 0.00 -1.56 0.00 0.00 34.95 28.96 1xgs s ARG 99 CO 0.02 -1.14 1.78 0.28 -0.81 0.00 0.00 175.30 175.44 1xgs n VAL 100 N 5.18 0.31 -0.96 7.11 0.31 -0.07 -1.20 118.33 129.01 1xgs n VAL 100 Ca -0.13 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1xgs n VAL 100 Cb 0.42 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 1xgs n VAL 100 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xgs n GLY 101 N 4.38 0.30 2.39 2.92 0.00 -1.26 -0.71 105.19 113.20 1xgs n GLY 101 Ca 0.28 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 1xgs n GLY 101 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xgs n MET 102 N -1.22 0.55 -3.78 1.61 2.00 -0.34 -4.91 117.12 111.03 1xgs n MET 102 Ca 0.00 -2.47 -0.25 0.00 0.00 0.00 0.00 57.70 54.98 1xgs n MET 102 Cb 0.20 1.56 -0.03 0.00 0.00 0.00 0.00 33.22 34.95 1xgs n MET 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1xgs s GLU 103 N -3.08 3.48 0.42 0.03 -1.05 -1.26 -4.62 118.70 112.62 1xgs s GLU 103 Ca 0.19 -0.50 -0.26 0.00 -0.15 0.00 0.00 54.97 54.26 1xgs s GLU 103 Cb 0.01 -2.86 -0.10 0.00 -0.44 0.00 0.00 34.13 30.75 1xgs s GLU 103 CO 0.14 0.40 1.34 0.39 0.95 0.00 0.00 175.26 178.48 1xgs n GLU 104 N -0.96 2.11 -4.22 -4.83 1.02 -1.26 -4.85 120.64 107.65 1xgs n GLU 104 Ca -0.06 0.75 -0.27 0.00 -0.02 0.00 0.00 57.16 57.55 1xgs n GLU 104 Cb 0.55 -2.48 -0.05 0.00 -0.02 0.00 0.00 31.44 29.43 1xgs n GLU 104 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1xgs n ASP 105 N 0.14 3.16 -0.17 1.62 3.85 -1.26 -4.99 116.55 118.90 1xgs n ASP 105 Ca 0.06 -2.86 0.09 0.00 -0.71 0.00 0.00 54.79 51.36 1xgs n ASP 105 Cb 0.40 0.29 0.40 0.00 -1.35 0.00 0.00 41.12 40.85 1xgs n ASP 105 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1xgs h GLU 106 N 0.00 0.63 -0.60 0.11 3.07 -1.98 -0.42 114.58 115.39 1xgs h GLU 106 Ca -0.35 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.41 1xgs h GLU 106 Cb 1.07 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.82 1xgs h GLU 106 CO 0.58 0.42 0.15 1.25 -1.40 0.00 0.00 179.01 180.01 1xgs h LEU 107 N 0.65 0.91 -0.33 1.33 5.85 -1.96 -1.18 115.31 120.58 1xgs h LEU 107 Ca 0.32 -0.23 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 1xgs h LEU 107 Cb 0.41 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1xgs h LEU 107 CO -0.11 0.91 -0.27 0.24 -0.34 0.00 0.00 178.44 178.87 1xgs h MET 108 N 0.87 0.77 -0.61 1.25 2.86 -1.76 -2.99 114.93 115.32 1xgs h MET 108 Ca 0.19 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1xgs h MET 108 Cb 0.35 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 1xgs h MET 108 CO 0.00 1.00 0.39 1.49 1.06 0.00 0.00 176.91 180.85 1xgs h GLU 109 N 0.54 0.81 -0.43 1.72 4.81 -0.94 -2.09 114.58 119.00 1xgs h GLU 109 Ca 0.06 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1xgs h GLU 109 Cb 0.83 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1xgs h GLU 109 CO 0.07 0.55 0.18 0.00 -0.73 0.00 0.00 179.01 179.08 1xgs h ALA 110 N 1.59 0.56 -0.48 2.92 0.00 -1.07 0.59 119.26 123.38 1xgs h ALA 110 Ca 0.22 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1xgs h ALA 110 Cb -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1xgs h ALA 110 CO -0.04 0.16 0.03 0.00 0.00 0.00 0.00 179.25 179.39 1xgs h ALA 111 N 1.03 0.64 -0.37 0.00 0.00 -1.41 -0.14 119.26 119.01 1xgs h ALA 111 Ca 0.15 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1xgs h ALA 111 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xgs h ALA 111 CO -0.01 0.42 -0.05 -0.22 0.00 0.00 0.00 179.25 179.39 1xgs h LYS 112 N 0.69 0.68 -0.31 0.00 3.64 -1.23 -2.13 116.57 117.91 1xgs h LYS 112 Ca 0.14 -0.24 -0.10 0.00 -1.27 0.00 0.00 60.65 59.18 1xgs h LYS 112 Cb 0.47 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1xgs h LYS 112 CO 0.02 0.81 -0.24 0.93 -2.27 0.00 0.00 179.45 178.70 1xgs h GLU 113 N 0.48 0.59 -0.94 1.90 4.39 -0.82 -1.71 114.58 118.47 1xgs h GLU 113 Ca 0.10 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1xgs h GLU 113 Cb 0.53 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.11 1xgs h GLU 113 CO 0.03 0.79 0.58 0.00 -1.16 0.00 0.00 179.01 179.25 1xgs h ALA 114 N 1.22 1.25 -0.25 3.43 0.00 -0.85 0.13 119.26 124.19 1xgs h ALA 114 Ca 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xgs h ALA 114 Cb 0.69 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xgs h ALA 114 CO 0.05 0.66 0.05 1.25 0.00 0.00 0.00 179.25 181.25 1xgs h LEU 115 N 1.30 0.39 -0.64 0.00 5.85 -0.99 -1.91 115.31 119.30 1xgs h LEU 115 Ca 0.34 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1xgs h LEU 115 Cb -0.08 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1xgs h LEU 115 CO -0.07 0.54 0.41 0.78 -0.34 0.00 0.00 178.44 179.76 1xgs h ASN 116 N 0.22 0.76 -0.76 1.25 2.35 -0.84 -1.74 115.58 116.82 1xgs h ASN 116 Ca 0.08 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1xgs h ASN 116 Cb 0.31 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 1xgs h ASN 116 CO 0.00 0.57 0.41 0.00 -1.65 0.00 0.00 177.43 176.76 1xgs h ALA 117 N 1.22 1.27 -0.17 -0.83 0.00 -0.57 -1.81 119.26 118.36 1xgs h ALA 117 Ca 0.23 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 1xgs h ALA 117 Cb -0.06 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 1xgs h ALA 117 CO -0.05 0.59 -0.64 0.00 0.00 0.00 0.00 179.25 179.15 1xgs h ALA 118 N 1.37 0.56 -0.60 0.00 0.00 -0.94 -3.09 119.26 116.56 1xgs h ALA 118 Ca 0.27 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1xgs h ALA 118 Cb 0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1xgs h ALA 118 CO -0.04 0.70 0.11 0.82 0.00 0.00 0.00 179.25 180.84 1xgs h ILE 119 N 0.45 1.25 -0.03 0.00 2.04 -1.15 -2.54 117.51 117.53 1xgs h ILE 119 Ca -0.01 -0.95 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 1xgs h ILE 119 Cb 1.22 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1xgs h ILE 119 CO 0.12 0.35 -0.20 0.28 0.00 0.00 0.00 178.15 178.71 1xgs h SER 120 N 0.91 0.04 0.37 1.72 0.02 -1.26 -2.85 113.55 112.50 1xgs h SER 120 Ca 0.19 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1xgs h SER 120 Cb 0.38 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.91 1xgs h SER 120 CO 0.01 0.24 -1.10 1.33 -1.14 0.00 0.00 176.83 176.17 1xgs n VAL 121 N -4.28 0.15 -2.31 2.27 0.24 -1.11 -4.96 118.33 108.33 1xgs n VAL 121 Ca -0.02 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.62 1xgs n VAL 121 Cb 0.27 0.25 -0.03 0.00 -1.47 0.00 0.00 33.84 32.86 1xgs n VAL 121 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xgs s ALA 122 N -3.21 3.47 -0.08 2.33 0.00 -0.97 -4.94 121.76 118.36 1xgs s ALA 122 Ca 0.03 0.99 -0.32 0.00 0.00 0.00 0.00 51.96 52.66 1xgs s ALA 122 Cb 0.14 -3.46 0.12 0.00 0.00 0.00 0.00 23.12 19.93 1xgs s ALA 122 CO 0.81 -0.47 1.16 -0.98 0.00 0.00 0.00 175.76 176.28 1xgs s ARG 123 N 0.32 0.49 0.31 0.00 1.70 -1.26 -4.16 118.95 116.35 1xgs s ARG 123 Ca 0.57 -0.22 -0.30 0.00 -0.47 0.00 0.00 55.73 55.31 1xgs s ARG 123 Cb -0.34 0.20 -0.12 0.00 -0.57 0.00 0.00 34.95 34.13 1xgs s ARG 123 CO 0.34 -0.22 1.55 0.00 -1.08 0.00 0.00 175.30 175.90 1xgs n ALA 124 N -0.26 2.39 -0.22 7.88 0.00 -0.57 -2.68 120.51 127.04 1xgs n ALA 124 Ca -0.04 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1xgs n ALA 124 Cb 0.60 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1xgs n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xgs n GLY 125 N 1.80 0.63 3.85 0.00 0.00 0.95 -4.89 105.19 107.53 1xgs n GLY 125 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1xgs n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xgs s VAL 126 N -2.47 5.05 0.24 1.61 1.01 -1.09 -4.83 120.40 119.92 1xgs s VAL 126 Ca 0.00 0.72 -0.23 0.00 0.00 0.00 0.00 61.98 62.47 1xgs s VAL 126 Cb 0.00 -3.69 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 1xgs s VAL 126 CO 0.00 0.48 0.80 -1.61 0.00 0.00 0.00 175.10 174.78 1xgs s GLU 127 N -1.36 4.42 0.44 2.72 2.02 -1.26 -1.38 118.70 124.30 1xgs s GLU 127 Ca 0.27 1.07 0.19 0.00 0.02 0.00 0.00 54.97 56.52 1xgs s GLU 127 Cb -0.16 -2.93 1.14 0.00 0.10 0.00 0.00 34.13 32.28 1xgs s GLU 127 CO 0.15 0.40 1.88 0.82 0.02 0.00 0.00 175.26 178.52 1xgs h ILE 128 N 2.82 0.68 -0.12 -1.63 2.04 -1.26 -0.28 117.51 119.77 1xgs h ILE 128 Ca -0.47 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.31 1xgs h ILE 128 Cb 1.20 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 37.59 1xgs h ILE 128 CO 0.65 0.06 0.16 0.07 0.00 0.00 0.00 178.15 179.10 1xgs h LYS 129 N 0.34 0.00 -0.25 2.37 2.10 -1.58 0.22 116.57 119.77 1xgs h LYS 129 Ca 0.44 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.92 1xgs h LYS 129 Cb 1.18 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1xgs h LYS 129 CO -0.14 0.00 -0.53 0.93 -2.00 0.00 0.00 179.45 177.71 1xgs h GLU 130 N 0.00 0.72 -0.29 0.07 4.39 -1.34 -1.29 114.58 116.84 1xgs h GLU 130 Ca 0.06 -0.45 -0.15 0.00 0.34 0.00 0.00 59.36 59.16 1xgs h GLU 130 Cb 0.38 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1xgs h GLU 130 CO -0.00 1.07 -0.39 -0.07 -1.16 0.00 0.00 179.01 178.46 1xgs h LEU 131 N 0.56 0.85 -0.80 1.33 4.07 -1.09 -2.48 115.31 117.75 1xgs h LEU 131 Ca 0.02 -0.50 0.03 0.00 0.08 0.00 0.00 57.88 57.50 1xgs h LEU 131 Cb 1.10 -0.24 -0.05 0.00 1.08 0.00 0.00 40.66 42.55 1xgs h LEU 131 CO 0.11 1.18 0.52 1.23 -1.08 0.00 0.00 178.44 180.40 1xgs h GLY 132 N 0.55 1.16 0.98 0.83 0.00 -1.26 -0.57 103.07 104.75 1xgs h GLY 132 Ca 0.03 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1xgs h GLY 132 CO 0.09 0.35 0.04 1.70 0.00 0.00 0.00 176.54 178.72 1xgs h LYS 133 N 1.02 0.79 -0.17 4.80 1.63 -1.21 -1.28 116.57 122.15 1xgs h LYS 133 Ca 0.31 -0.23 0.02 0.00 -0.85 0.00 0.00 60.65 59.90 1xgs h LYS 133 Cb -0.03 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 1xgs h LYS 133 CO -0.10 0.83 0.06 0.00 -3.45 0.00 0.00 179.45 176.78 1xgs h ALA 134 N 0.94 0.19 -0.04 5.00 0.00 -0.93 -1.10 119.26 123.32 1xgs h ALA 134 Ca 0.14 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xgs h ALA 134 Cb 0.44 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xgs h ALA 134 CO 0.02 -0.38 0.01 0.82 0.00 0.00 0.00 179.25 179.72 1xgs h ILE 135 N 0.14 1.14 -0.71 0.00 2.04 -1.05 -2.69 117.51 116.38 1xgs h ILE 135 Ca 0.07 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 1xgs h ILE 135 Cb 0.05 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 1xgs h ILE 135 CO -0.08 0.12 0.34 -0.08 0.00 0.00 0.00 178.15 178.45 1xgs h GLU 136 N -0.11 1.02 -0.73 2.37 4.81 -1.13 -2.46 114.58 118.35 1xgs h GLU 136 Ca 0.01 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 1xgs h GLU 136 Cb 0.18 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1xgs h GLU 136 CO -0.00 0.80 0.19 -0.91 -0.73 0.00 0.00 179.01 178.36 1xgs h ASN 137 N 0.99 1.08 -0.61 1.04 2.35 -1.20 -0.42 115.58 118.82 1xgs h ASN 137 Ca 0.24 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1xgs h ASN 137 Cb 0.12 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1xgs h ASN 137 CO -0.03 1.03 0.13 -0.33 -1.65 0.00 0.00 177.43 176.57 1xgs h GLU 138 N 1.09 0.99 -0.12 0.81 4.39 -1.26 -1.22 114.58 119.26 1xgs h GLU 138 Ca 0.23 -0.25 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 1xgs h GLU 138 Cb 0.35 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1xgs h GLU 138 CO -0.00 0.91 -0.12 0.82 -1.16 0.00 0.00 179.01 179.46 1xgs h ILE 139 N 0.90 1.36 -0.10 3.13 2.04 -1.23 -3.30 117.51 120.30 1xgs h ILE 139 Ca 0.19 -1.29 -0.13 0.00 1.00 0.00 0.00 64.86 64.63 1xgs h ILE 139 Cb 0.39 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1xgs h ILE 139 CO 0.01 0.37 -0.49 0.03 0.00 0.00 0.00 178.15 178.06 1xgs h ARG 140 N -0.11 0.26 0.00 2.37 3.08 -1.04 -2.46 114.38 116.48 1xgs h ARG 140 Ca 0.02 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1xgs h ARG 140 Cb 0.65 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1xgs h ARG 140 CO 0.03 0.70 0.00 1.57 -1.07 0.00 0.00 179.97 181.20 1xgs h LYS 141 N 0.21 0.00 -0.11 0.04 2.10 -1.32 -1.73 116.57 115.76 1xgs h LYS 141 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1xgs h LYS 141 Cb 0.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 1xgs h LYS 141 CO 0.08 0.00 0.00 0.54 -2.00 0.00 0.00 179.45 178.07 1xgs n ARG 142 N -2.62 2.10 -0.54 0.07 1.74 -1.17 -4.95 116.66 111.30 1xgs n ARG 142 Ca 0.01 -1.62 0.00 0.00 -0.77 0.00 0.00 57.85 55.47 1xgs n ARG 142 Cb 0.23 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 1xgs n ARG 142 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xgs n GLY 143 N 1.30 0.71 3.79 -0.13 0.00 -0.65 -5.02 105.19 105.20 1xgs n GLY 143 Ca 0.17 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1xgs n GLY 143 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xgs s PHE 144 N -2.00 2.54 -0.06 1.61 0.40 -0.93 -5.01 117.98 114.53 1xgs s PHE 144 Ca 0.00 -0.59 0.04 0.00 -0.60 0.00 0.00 56.93 55.78 1xgs s PHE 144 Cb 0.00 -2.02 -0.02 0.00 0.51 0.00 0.00 43.02 41.49 1xgs s PHE 144 CO 0.00 0.04 -0.17 0.15 0.70 0.00 0.00 175.22 175.94 1xgs s LYS 145 N -4.00 2.62 0.52 0.44 1.02 -0.43 -3.69 119.74 116.21 1xgs s LYS 145 Ca 0.42 -0.74 -0.15 0.00 0.02 0.00 0.00 55.97 55.52 1xgs s LYS 145 Cb 0.01 -2.36 -0.07 0.00 -0.52 0.00 0.00 37.83 34.89 1xgs s LYS 145 CO 0.24 0.52 0.97 -1.25 -0.92 0.00 0.00 175.35 174.90 1xgs s PRO 146 N -0.46 3.88 -0.30 -1.68 0.04 -1.26 -0.87 135.00 134.35 1xgs s PRO 146 Ca 0.06 0.87 -0.23 0.00 0.04 0.00 0.00 61.00 61.74 1xgs s PRO 146 Cb -0.12 -2.16 -0.00 0.00 0.04 0.00 0.00 34.50 32.26 1xgs s PRO 146 CO 0.02 -0.28 0.74 0.42 0.04 0.00 0.00 177.00 177.93 1xgs s ILE 147 N -2.67 4.85 0.02 0.56 1.01 -0.80 -4.55 121.20 119.62 1xgs s ILE 147 Ca 0.58 1.14 0.23 0.00 0.00 0.00 0.00 60.65 62.59 1xgs s ILE 147 Cb -0.10 -4.09 0.22 0.00 0.01 0.00 0.00 42.46 38.49 1xgs s ILE 147 CO 0.34 -0.18 1.74 -0.37 0.00 0.00 0.00 174.94 176.47 1xgs h VAL 148 N 5.55 0.54 -0.31 2.92 -1.51 -1.64 -3.32 116.25 118.48 1xgs h VAL 148 Ca -0.25 -1.30 -0.06 0.00 -1.23 0.00 0.00 66.70 63.86 1xgs h VAL 148 Cb 1.10 1.91 -0.03 0.00 -2.13 0.00 0.00 31.29 32.14 1xgs h VAL 148 CO 0.85 0.25 0.01 -0.46 -1.23 0.00 0.00 177.57 176.99 1xgs n ASN 149 N -3.32 3.61 -3.79 4.19 6.94 -1.26 -4.87 115.26 116.76 1xgs n ASN 149 Ca 0.01 -3.20 -0.19 0.00 -0.02 0.00 0.00 54.58 51.17 1xgs n ASN 149 Cb 0.49 -0.58 -0.17 0.00 -2.36 0.00 0.00 39.78 37.17 1xgs n ASN 149 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1xgs s LEU 150 N -2.94 0.87 0.32 -4.53 1.43 -1.25 -4.96 118.68 107.62 1xgs s LEU 150 Ca 0.43 -0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.44 1xgs s LEU 150 Cb 0.36 -0.30 0.00 0.00 0.03 0.00 0.00 46.19 46.29 1xgs s LEU 150 CO 0.07 -0.14 0.48 -0.44 0.23 0.00 0.00 176.35 176.55 1xgs s SER 151 N 1.44 0.61 1.09 2.29 0.01 -1.26 -4.55 113.70 113.33 1xgs s SER 151 Ca -0.04 -1.34 -0.16 0.00 1.31 0.00 0.00 55.95 55.72 1xgs s SER 151 Cb -0.13 0.64 0.23 0.00 0.21 0.00 0.00 66.02 66.98 1xgs s SER 151 CO -0.03 -1.27 1.14 -0.83 0.41 0.00 0.00 173.24 172.67 1xgs s GLY 152 N -3.18 1.60 -0.02 3.44 0.00 0.01 -4.72 107.32 104.46 1xgs s GLY 152 Ca 0.28 -0.80 -0.29 0.00 0.00 0.00 0.00 44.72 43.91 1xgs s GLY 152 CO 0.17 -0.04 0.69 -2.38 0.00 0.00 0.00 173.10 171.55 1xgs s HIS 153 N -3.16 -0.61 0.28 1.90 -3.43 0.57 -1.13 115.29 109.71 1xgs s HIS 153 Ca 0.69 0.93 -0.29 0.00 -0.80 0.00 0.00 55.06 55.59 1xgs s HIS 153 Cb -0.12 0.44 -0.10 0.00 -1.43 0.00 0.00 32.58 31.38 1xgs s HIS 153 CO 0.56 -0.63 1.14 0.21 -2.00 0.00 0.00 174.74 174.01 1xgs s LYS 154 N -1.68 4.58 -0.10 -0.38 2.20 -0.27 -0.26 119.74 123.82 1xgs s LYS 154 Ca -0.08 1.88 0.04 0.00 -0.36 0.00 0.00 55.97 57.45 1xgs s LYS 154 Cb -0.00 -3.17 -0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1xgs s LYS 154 CO 0.05 0.12 -0.23 0.42 -0.36 0.00 0.00 175.35 175.35 1xgs s ILE 155 N -1.08 2.11 0.38 5.43 1.01 -0.34 -0.64 121.20 128.06 1xgs s ILE 155 Ca 0.46 -1.00 0.05 0.00 0.00 0.00 0.00 60.65 60.16 1xgs s ILE 155 Cb -0.33 -1.81 -0.06 0.00 0.01 0.00 0.00 42.46 40.26 1xgs s ILE 155 CO 0.43 0.56 0.04 -1.61 0.00 0.00 0.00 174.94 174.36 1xgs s GLU 156 N 0.36 1.83 0.09 2.79 2.02 0.07 -4.36 118.70 121.50 1xgs s GLU 156 Ca -0.18 -2.04 -0.32 0.00 0.02 0.00 0.00 54.97 52.45 1xgs s GLU 156 Cb -0.18 -1.20 -0.12 0.00 0.10 0.00 0.00 34.13 32.74 1xgs s GLU 156 CO 0.08 -0.16 1.80 -2.13 0.02 0.00 0.00 175.26 174.87 1xgs n ARG 157 N -0.85 2.55 -2.29 1.61 0.63 -1.26 -1.36 116.66 115.69 1xgs n ARG 157 Ca -0.05 0.93 -0.16 0.00 -0.92 0.00 0.00 57.85 57.65 1xgs n ARG 157 Cb 0.67 -2.79 -0.02 0.00 0.45 0.00 0.00 32.46 30.77 1xgs n ARG 157 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1xgs n TYR 158 N 5.40 -1.11 -3.41 -0.14 4.01 0.29 -4.92 117.16 117.28 1xgs n TYR 158 Ca 0.19 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.74 1xgs n TYR 158 Cb 0.34 -3.21 -0.10 0.00 -0.31 0.00 0.00 39.34 36.06 1xgs n TYR 158 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1xgs s LYS 159 N -4.81 0.35 0.13 -0.72 2.20 -0.46 -4.65 119.74 111.79 1xgs s LYS 159 Ca 0.00 -0.27 -0.15 0.00 -0.36 0.00 0.00 55.97 55.19 1xgs s LYS 159 Cb 0.00 -0.71 -0.00 0.00 -1.51 0.00 0.00 37.83 35.61 1xgs s LYS 159 CO 0.00 -1.05 1.63 1.25 -0.36 0.00 0.00 175.35 176.82 1xgs h LEU 160 N 8.12 0.65 -7.64 5.43 5.85 -1.88 0.25 115.31 126.08 1xgs h LEU 160 Ca -0.11 -0.23 -0.67 0.00 0.84 0.00 0.00 57.88 57.70 1xgs h LEU 160 Cb 1.07 -0.17 -0.38 0.00 0.37 0.00 0.00 40.66 41.55 1xgs h LEU 160 CO 0.33 0.71 -0.59 -1.00 -0.34 0.00 0.00 178.44 177.55 1xgs s HIS 161 N -5.30 3.53 -1.67 1.25 3.76 -1.26 -4.34 115.29 111.26 1xgs s HIS 161 Ca -0.13 -2.82 0.25 0.00 -0.15 0.00 0.00 55.06 52.21 1xgs s HIS 161 Cb 0.10 -3.04 1.38 0.00 1.11 0.00 0.00 32.58 32.13 1xgs s HIS 161 CO 0.78 -0.89 1.86 0.00 -0.85 0.00 0.00 174.74 175.64 1xgs n ALA 162 N 3.97 2.35 0.00 -1.40 0.00 0.19 -4.93 120.51 120.68 1xgs n ALA 162 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xgs n ALA 162 Cb 0.39 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1xgs n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xgs n GLY 163 N 0.74 3.50 3.76 0.00 0.00 -1.26 -5.01 105.19 106.92 1xgs n GLY 163 Ca 0.15 -0.98 -0.39 0.00 0.00 0.00 0.00 46.02 44.80 1xgs n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xgs s ILE 164 N 0.00 4.90 0.29 -0.61 -1.09 -1.26 -5.01 121.20 118.42 1xgs s ILE 164 Ca 0.00 1.30 0.11 0.00 -2.23 0.00 0.00 60.65 59.83 1xgs s ILE 164 Cb 0.00 -3.96 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 1xgs s ILE 164 CO 0.00 0.40 -0.17 -0.94 -1.23 0.00 0.00 174.94 173.00 1xgs s SER 165 N -0.11 3.56 -0.48 3.58 1.04 -1.26 -1.12 113.70 118.91 1xgs s SER 165 Ca 0.32 -1.07 0.01 0.00 0.48 0.00 0.00 55.95 55.69 1xgs s SER 165 Cb -0.18 -0.30 0.13 0.00 0.10 0.00 0.00 66.02 65.76 1xgs s SER 165 CO 0.18 -0.03 0.24 -0.63 0.98 0.00 0.00 173.24 173.98 1xgs s ILE 166 N -2.56 2.91 0.90 -1.02 1.01 -0.29 -4.90 121.20 117.24 1xgs s ILE 166 Ca 0.30 -2.75 -0.10 0.00 0.00 0.00 0.00 60.65 58.10 1xgs s ILE 166 Cb -0.03 -3.01 0.13 0.00 0.01 0.00 0.00 42.46 39.57 1xgs s ILE 166 CO 0.15 -0.75 1.12 -2.84 0.00 0.00 0.00 174.94 172.63 1xgs s PRO 167 N 0.34 1.19 -0.07 2.79 0.02 -1.26 -0.81 135.00 137.20 1xgs s PRO 167 Ca 0.14 1.39 0.16 0.00 0.02 0.00 0.00 61.00 62.70 1xgs s PRO 167 Cb -0.22 -1.76 0.59 0.00 0.02 0.00 0.00 34.50 33.12 1xgs s PRO 167 CO -0.04 -2.45 1.47 0.09 -0.33 0.00 0.00 177.00 175.74 1xgs n ASN 168 N -4.10 3.86 -4.09 2.53 5.03 -1.26 -4.22 115.26 113.01 1xgs n ASN 168 Ca 0.10 -2.29 -0.13 0.00 0.87 0.00 0.00 54.58 53.14 1xgs n ASN 168 Cb 0.53 -0.50 -0.11 0.00 -1.02 0.00 0.00 39.78 38.67 1xgs n ASN 168 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1xgs s ILE 169 N -1.66 0.62 -0.01 2.41 -4.36 -1.25 -3.46 121.20 113.48 1xgs s ILE 169 Ca 0.42 -1.22 -0.30 0.00 -0.26 0.00 0.00 60.65 59.29 1xgs s ILE 169 Cb 0.26 -0.80 -0.05 0.00 1.25 0.00 0.00 42.46 43.12 1xgs s ILE 169 CO 0.22 -0.43 1.31 -0.47 0.24 0.00 0.00 174.94 175.82 1xgs s TYR 170 N -1.66 3.02 -0.14 1.37 6.14 -1.24 -4.54 117.35 120.30 1xgs s TYR 170 Ca -0.06 1.00 0.00 0.00 0.64 0.00 0.00 57.07 58.65 1xgs s TYR 170 Cb -0.08 -3.56 0.02 0.00 0.42 0.00 0.00 41.96 38.76 1xgs s TYR 170 CO -0.00 -1.96 -0.13 1.03 0.64 0.00 0.00 175.55 175.13 1xgs s ARG 171 N 2.22 2.15 0.57 4.97 0.52 -1.26 -4.98 118.95 123.13 1xgs s ARG 171 Ca 0.61 -0.51 0.30 0.00 -0.52 0.00 0.00 55.73 55.61 1xgs s ARG 171 Cb -0.29 -2.01 1.46 0.00 0.52 0.00 0.00 34.95 34.63 1xgs s ARG 171 CO 0.25 -0.25 1.88 -1.00 0.02 0.00 0.00 175.30 176.21 1xgs h PRO 172 N 8.08 0.00 -0.40 3.54 0.13 -1.96 -2.26 132.00 139.13 1xgs h PRO 172 Ca -0.36 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.75 1xgs h PRO 172 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1xgs h PRO 172 CO 0.51 0.00 0.01 0.72 -0.23 0.00 0.00 178.00 179.01 1xgs n HIS 173 N -3.96 1.43 -1.87 1.56 8.25 -1.26 -4.71 115.22 114.66 1xgs n HIS 173 Ca 0.13 -0.87 -0.42 0.00 -0.26 0.00 0.00 57.72 56.30 1xgs n HIS 173 Cb 0.80 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.50 1xgs n HIS 173 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1xgs n ASP 174 N -0.13 4.05 -1.85 0.41 8.00 -0.85 -4.71 116.55 121.47 1xgs n ASP 174 Ca 0.25 -2.86 -0.04 0.00 0.71 0.00 0.00 54.79 52.86 1xgs n ASP 174 Cb 1.03 -1.67 0.29 0.00 -0.02 0.00 0.00 41.12 40.75 1xgs n ASP 174 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1xgs n ASN 175 N 6.42 4.63 -4.71 -2.24 2.04 -1.26 -1.60 115.26 118.53 1xgs n ASN 175 Ca 0.51 -3.03 -0.42 0.00 -0.44 0.00 0.00 54.58 51.21 1xgs n ASN 175 Cb 0.40 -0.71 -0.03 0.00 -2.53 0.00 0.00 39.78 36.91 1xgs n ASN 175 CO 0.00 0.00 0.00 -0.47 -0.44 0.00 0.00 177.26 176.35 1xgs s TYR 176 N -2.67 3.39 -0.19 -2.53 6.14 -1.26 -4.83 117.35 115.39 1xgs s TYR 176 Ca 0.49 1.21 -0.17 0.00 0.64 0.00 0.00 57.07 59.24 1xgs s TYR 176 Cb 0.38 -3.49 -0.04 0.00 0.42 0.00 0.00 41.96 39.24 1xgs s TYR 176 CO 0.12 -1.56 0.46 0.08 0.64 0.00 0.00 175.55 175.30 1xgs s VAL 177 N 1.06 5.15 0.19 3.14 1.01 -1.26 -1.52 120.40 128.17 1xgs s VAL 177 Ca 0.60 0.85 -0.32 0.00 0.00 0.00 0.00 61.98 63.11 1xgs s VAL 177 Cb -0.31 -3.79 -0.11 0.00 0.00 0.00 0.00 36.38 32.17 1xgs s VAL 177 CO 0.30 0.22 1.65 -0.76 0.00 0.00 0.00 175.10 176.51 1xgs s LEU 178 N 1.40 4.37 0.24 3.92 1.43 -0.48 -4.83 118.68 124.74 1xgs s LEU 178 Ca 0.22 2.76 0.08 0.00 -1.03 0.00 0.00 54.13 56.15 1xgs s LEU 178 Cb -0.15 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1xgs s LEU 178 CO 0.09 -0.91 0.11 -0.54 0.23 0.00 0.00 176.35 175.33 1xgs s LYS 179 N 1.17 2.67 0.20 1.70 -0.14 -1.26 -0.03 119.74 124.03 1xgs s LYS 179 Ca 0.73 -1.16 -0.31 0.00 -1.36 0.00 0.00 55.97 53.86 1xgs s LYS 179 Cb -0.47 -2.42 -0.10 0.00 -1.68 0.00 0.00 37.83 33.16 1xgs s LYS 179 CO 0.32 0.40 1.56 -2.00 -0.76 0.00 0.00 175.35 174.87 1xgs s GLU 180 N -3.64 4.21 0.00 1.68 2.12 -1.26 -1.69 118.70 120.12 1xgs s GLU 180 Ca 0.32 2.39 0.00 0.00 0.36 0.00 0.00 54.97 58.04 1xgs s GLU 180 Cb -0.08 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.19 1xgs s GLU 180 CO 0.23 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 174.77 1xgs n GLY 181 N 3.34 1.24 3.77 -1.50 0.00 -0.10 -4.99 105.19 106.95 1xgs n GLY 181 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1xgs n GLY 181 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xgs s ASP 182 N -2.22 6.47 -0.14 1.61 -0.00 -0.68 -4.70 116.67 117.00 1xgs s ASP 182 Ca 0.00 2.74 0.01 0.00 -0.00 0.00 0.00 52.55 55.30 1xgs s ASP 182 Cb 0.00 -2.65 -0.00 0.00 -0.00 0.00 0.00 42.92 40.27 1xgs s ASP 182 CO 0.00 -0.75 -0.17 -0.69 -0.00 0.00 0.00 175.17 173.56 1xgs s VAL 183 N -1.19 2.58 0.02 -1.27 1.01 -1.26 -0.17 120.40 120.12 1xgs s VAL 183 Ca 0.53 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1xgs s VAL 183 Cb -0.40 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1xgs s VAL 183 CO 0.53 0.53 -0.03 -0.36 0.00 0.00 0.00 175.10 175.77 1xgs s PHE 184 N 0.59 0.25 -0.22 5.22 0.08 -0.47 -1.20 117.98 122.22 1xgs s PHE 184 Ca -0.10 -0.38 -0.08 0.00 0.12 0.00 0.00 56.93 56.49 1xgs s PHE 184 Cb -0.16 -0.17 -0.04 0.00 -0.57 0.00 0.00 43.02 42.08 1xgs s PHE 184 CO 0.03 -0.12 0.09 0.00 -0.10 0.00 0.00 175.22 175.12 1xgs s ALA 185 N -1.03 3.37 -0.24 5.36 0.00 0.63 -0.02 121.76 129.83 1xgs s ALA 185 Ca -0.11 -0.92 -0.08 0.00 0.00 0.00 0.00 51.96 50.85 1xgs s ALA 185 Cb -0.07 -2.09 -0.04 0.00 0.00 0.00 0.00 23.12 20.93 1xgs s ALA 185 CO -0.01 -0.16 0.09 0.42 0.00 0.00 0.00 175.76 176.10 1xgs s ILE 186 N 1.00 4.60 -0.37 0.00 1.01 -0.39 -0.32 121.20 126.75 1xgs s ILE 186 Ca 0.05 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.63 1xgs s ILE 186 Cb -0.14 -3.14 0.14 0.00 0.01 0.00 0.00 42.46 39.33 1xgs s ILE 186 CO 0.03 0.35 0.22 -1.83 0.00 0.00 0.00 174.94 173.72 1xgs s GLU 187 N 1.32 0.68 0.24 2.79 -1.05 -1.26 -2.62 118.70 118.80 1xgs s GLU 187 Ca 0.05 -1.47 -0.30 0.00 -0.15 0.00 0.00 54.97 53.10 1xgs s GLU 187 Cb -0.15 -1.47 -0.09 0.00 -0.44 0.00 0.00 34.13 31.99 1xgs s GLU 187 CO 0.04 -1.21 1.17 -2.14 0.95 0.00 0.00 175.26 174.07 1xgs s PRO 188 N 0.91 4.54 -0.10 -4.83 0.02 -1.18 -4.19 135.00 130.16 1xgs s PRO 188 Ca 0.19 1.88 0.03 0.00 0.02 0.00 0.00 61.00 63.11 1xgs s PRO 188 Cb -0.22 -3.20 0.01 0.00 0.02 0.00 0.00 34.50 31.11 1xgs s PRO 188 CO -0.00 0.03 -0.20 -0.06 -0.33 0.00 0.00 177.00 176.44 1xgs s PHE 189 N -0.62 2.31 0.12 6.54 0.08 -1.26 -2.84 117.98 122.30 1xgs s PHE 189 Ca 0.49 -1.01 0.10 0.00 0.12 0.00 0.00 56.93 56.62 1xgs s PHE 189 Cb -0.33 -1.58 -0.04 0.00 -0.57 0.00 0.00 43.02 40.50 1xgs s PHE 189 CO 0.40 -0.45 -0.23 0.00 -0.10 0.00 0.00 175.22 174.83 1xgs s ALA 190 N 0.61 2.09 0.17 5.36 0.00 -0.19 -1.90 121.76 127.90 1xgs s ALA 190 Ca -0.13 -1.37 -0.14 0.00 0.00 0.00 0.00 51.96 50.31 1xgs s ALA 190 Cb -0.17 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.67 1xgs s ALA 190 CO 0.04 0.43 0.42 -0.08 0.00 0.00 0.00 175.76 176.58 1xgs s THR 191 N -1.18 0.05 -2.80 0.00 -1.32 -0.05 -0.90 115.64 109.45 1xgs s THR 191 Ca 0.11 -0.96 0.23 0.00 -1.21 0.00 0.00 61.69 59.86 1xgs s THR 191 Cb -0.10 -1.60 0.21 0.00 -1.51 0.00 0.00 72.50 69.51 1xgs s THR 191 CO 0.05 -0.22 1.25 2.30 -2.21 0.00 0.00 174.62 175.79 1xgs n ILE 192 N -0.28 0.07 -0.07 5.08 -5.35 -1.19 -1.31 119.36 116.31 1xgs n ILE 192 Ca -0.10 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.84 1xgs n ILE 192 Cb 0.63 1.41 0.00 0.00 -1.74 0.00 0.00 39.64 39.94 1xgs n ILE 192 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xgs n GLY 193 N 1.31 1.17 0.14 3.28 0.00 -1.26 -4.90 105.19 104.92 1xgs n GLY 193 Ca 0.14 -1.49 0.04 0.00 0.00 0.00 0.00 46.02 44.70 1xgs n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xgs h ALA 194 N -1.73 0.70 -0.06 4.61 0.00 -1.91 -3.46 119.26 117.40 1xgs h ALA 194 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1xgs h ALA 194 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xgs h ALA 194 CO 0.00 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1xgs n GLY 195 N 1.24 1.45 3.37 0.00 0.00 -1.26 -4.97 105.19 105.01 1xgs n GLY 195 Ca 0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 1xgs n GLY 195 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xgs s GLN 196 N -1.50 0.56 0.14 1.61 0.74 -1.26 -1.54 119.66 118.40 1xgs s GLN 196 Ca 0.00 0.65 0.05 0.00 0.05 0.00 0.00 55.36 56.12 1xgs s GLN 196 Cb 0.00 0.27 -0.04 0.00 1.10 0.00 0.00 33.01 34.34 1xgs s GLN 196 CO 0.00 -0.07 0.06 0.14 -0.55 0.00 0.00 175.29 174.87 1xgs s VAL 197 N 0.24 4.16 0.17 1.34 -7.23 -1.26 -0.61 120.40 117.20 1xgs s VAL 197 Ca -0.00 -1.11 0.07 0.00 -1.81 0.00 0.00 61.98 59.13 1xgs s VAL 197 Cb -0.03 -3.06 -0.04 0.00 0.56 0.00 0.00 36.38 33.80 1xgs s VAL 197 CO 0.01 -0.02 -0.14 0.27 -0.31 0.00 0.00 175.10 174.91 1xgs s ILE 198 N -1.58 1.54 0.06 -0.62 -4.36 -0.25 -4.85 121.20 111.15 1xgs s ILE 198 Ca 0.28 -2.04 -0.23 0.00 -0.26 0.00 0.00 60.65 58.41 1xgs s ILE 198 Cb -0.11 -1.87 -0.06 0.00 1.25 0.00 0.00 42.46 41.67 1xgs s ILE 198 CO 0.21 -0.56 0.69 -1.61 0.24 0.00 0.00 174.94 173.90 1xgs s GLU 199 N -3.36 4.41 0.05 0.37 2.02 -1.26 -1.38 118.70 119.54 1xgs s GLU 199 Ca 0.18 0.94 -0.01 0.00 0.02 0.00 0.00 54.97 56.10 1xgs s GLU 199 Cb -0.01 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 1xgs s GLU 199 CO 0.05 0.43 -0.03 0.14 0.02 0.00 0.00 175.26 175.87 1xgs s VAL 200 N -0.52 0.22 0.65 2.63 -7.23 -0.08 -4.96 120.40 111.12 1xgs s VAL 200 Ca 0.34 -1.66 -0.15 0.00 -1.81 0.00 0.00 61.98 58.70 1xgs s VAL 200 Cb -0.20 -1.31 -0.01 0.00 0.56 0.00 0.00 36.38 35.42 1xgs s VAL 200 CO 0.21 -0.91 1.10 -2.84 -0.31 0.00 0.00 175.10 172.36 1xgs s PRO 201 N -3.50 2.89 0.69 4.82 0.02 -1.26 -2.30 135.00 136.37 1xgs s PRO 201 Ca 0.03 1.35 -0.02 0.00 0.02 0.00 0.00 61.00 62.39 1xgs s PRO 201 Cb 0.05 -1.96 0.10 0.00 0.02 0.00 0.00 34.50 32.71 1xgs s PRO 201 CO -0.08 -1.17 0.96 -1.25 -0.33 0.00 0.00 177.00 175.13 1xgs s PRO 202 N -4.11 1.87 -0.42 5.54 0.04 -1.26 -4.81 135.00 131.84 1xgs s PRO 202 Ca 0.66 -0.93 -0.12 0.00 0.04 0.00 0.00 61.00 60.66 1xgs s PRO 202 Cb -0.20 -2.33 0.06 0.00 0.04 0.00 0.00 34.50 32.08 1xgs s PRO 202 CO 0.41 -1.31 0.29 0.99 0.04 0.00 0.00 177.00 177.41 1xgs s THR 203 N -3.10 4.65 -0.97 1.26 2.01 -1.26 -2.61 115.64 115.62 1xgs s THR 203 Ca 0.64 -1.14 0.19 0.00 0.31 0.00 0.00 61.69 61.69 1xgs s THR 203 Cb -0.07 -3.76 -0.18 0.00 0.01 0.00 0.00 72.50 68.50 1xgs s THR 203 CO 0.43 -0.46 0.81 0.18 -0.69 0.00 0.00 174.62 174.90 1xgs n LEU 204 N 5.03 0.98 -4.10 4.42 7.99 -1.26 -4.88 117.00 125.18 1xgs n LEU 204 Ca -0.11 -0.53 -0.21 0.00 -0.01 0.00 0.00 56.01 55.15 1xgs n LEU 204 Cb 0.44 0.00 -0.15 0.00 -0.11 0.00 0.00 43.42 43.60 1xgs n LEU 204 CO 0.41 0.23 -0.46 -0.63 -1.51 0.00 0.00 177.39 175.43 1xgs s ILE 205 N -2.71 1.03 0.20 -0.08 1.01 -1.26 -0.76 121.20 118.62 1xgs s ILE 205 Ca 0.08 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.08 1xgs s ILE 205 Cb 0.14 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 1xgs s ILE 205 CO 0.74 0.23 0.12 -0.31 0.00 0.00 0.00 174.94 175.72 1xgs s TYR 206 N -0.41 1.15 -0.12 3.97 2.02 -0.59 -0.66 117.35 122.70 1xgs s TYR 206 Ca 0.04 -1.37 -0.11 0.00 -0.37 0.00 0.00 57.07 55.27 1xgs s TYR 206 Cb -0.06 -0.56 0.04 0.00 -0.40 0.00 0.00 41.96 40.98 1xgs s TYR 206 CO -0.00 -0.62 0.33 1.41 -1.57 0.00 0.00 175.55 175.09 1xgs s MET 207 N -4.15 0.37 0.06 -0.62 1.75 0.02 -0.86 119.30 115.86 1xgs s MET 207 Ca 0.38 0.49 -0.30 0.00 -1.25 0.00 0.00 55.69 55.00 1xgs s MET 207 Cb 0.07 0.14 -0.05 0.00 2.84 0.00 0.00 34.83 37.83 1xgs s MET 207 CO 0.11 -0.07 1.17 -0.47 -0.65 0.00 0.00 175.02 175.12 1xgs s TYR 208 N 0.38 3.47 -0.03 4.11 5.04 -1.26 -0.35 117.35 128.71 1xgs s TYR 208 Ca -0.02 1.36 -0.02 0.00 -2.44 0.00 0.00 57.07 55.96 1xgs s TYR 208 Cb -0.04 -3.38 -0.02 0.00 0.35 0.00 0.00 41.96 38.88 1xgs s TYR 208 CO -0.02 -1.09 -0.05 1.33 -1.34 0.00 0.00 175.55 174.38 1xgs n VAL 209 N 3.85 0.28 -3.71 3.14 0.24 0.02 -4.77 118.33 117.39 1xgs n VAL 209 Ca 0.08 -0.03 -0.14 0.00 -2.04 0.00 0.00 64.34 62.21 1xgs n VAL 209 Cb 0.47 -1.56 -0.08 0.00 -1.47 0.00 0.00 33.84 31.20 1xgs n VAL 209 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xgs s ARG 210 N -2.08 0.77 -0.33 7.34 1.70 -0.51 -5.04 118.95 120.80 1xgs s ARG 210 Ca -0.06 -0.14 -0.29 0.00 -0.47 0.00 0.00 55.73 54.77 1xgs s ARG 210 Cb 0.02 0.35 0.01 0.00 -0.57 0.00 0.00 34.95 34.75 1xgs s ARG 210 CO 0.07 -0.23 1.29 -0.51 -1.08 0.00 0.00 175.30 174.85 1xgs s ASP 211 N -1.40 6.64 -0.05 -2.89 1.11 -1.26 -4.36 116.67 114.45 1xgs s ASP 211 Ca -0.12 1.09 0.04 0.00 0.18 0.00 0.00 52.55 53.75 1xgs s ASP 211 Cb -0.04 -2.54 -0.02 0.00 1.07 0.00 0.00 42.92 41.39 1xgs s ASP 211 CO 0.04 -1.13 -0.18 -0.69 1.18 0.00 0.00 175.17 174.40 1xgs s VAL 212 N 4.49 2.77 -0.69 -1.27 1.01 -1.26 -5.05 120.40 120.40 1xgs s VAL 212 Ca 0.56 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 61.45 1xgs s VAL 212 Cb -0.15 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.14 1xgs s VAL 212 CO 0.25 0.58 1.83 -2.84 0.00 0.00 0.00 175.10 174.92 1xgs s PRO 213 N -0.58 2.67 -0.16 2.72 0.02 -1.26 -4.95 135.00 133.46 1xgs s PRO 213 Ca 0.08 0.32 -0.08 0.00 0.02 0.00 0.00 61.00 61.35 1xgs s PRO 213 Cb -0.11 -4.53 -0.04 0.00 0.02 0.00 0.00 34.50 29.83 1xgs s PRO 213 CO 0.01 -2.82 0.12 0.54 -0.33 0.00 0.00 177.00 174.52 1xgs s VAL 214 N 8.96 5.30 -0.05 3.83 0.11 -1.26 -5.04 120.40 132.25 1xgs s VAL 214 Ca 0.65 0.14 -0.14 0.00 -2.93 0.00 0.00 61.98 59.70 1xgs s VAL 214 Cb -0.11 -3.36 -0.09 0.00 -1.53 0.00 0.00 36.38 31.30 1xgs s VAL 214 CO 0.15 0.53 0.59 -0.09 -3.33 0.00 0.00 175.10 172.95 1xgs h ARG 215 N 5.89 -0.39 -6.45 1.54 2.43 -2.00 -3.44 114.38 111.96 1xgs h ARG 215 Ca -0.47 0.03 -0.54 0.00 -0.81 0.00 0.00 59.98 58.19 1xgs h ARG 215 Cb 1.19 0.09 0.03 0.00 -0.42 0.00 0.00 29.97 30.86 1xgs h ARG 215 CO 0.67 -0.18 1.13 1.33 -1.51 0.00 0.00 179.97 181.41 1xgs n VAL 216 N -5.04 0.47 -0.09 0.20 0.24 -1.26 -4.89 118.33 107.96 1xgs n VAL 216 Ca -0.06 -0.08 -0.06 0.00 -2.04 0.00 0.00 64.34 62.09 1xgs n VAL 216 Cb 0.20 -2.13 -0.00 0.00 -1.47 0.00 0.00 33.84 30.44 1xgs n VAL 216 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xgs h ALA 217 N 9.00 0.17 -0.65 2.33 0.00 -1.98 -1.25 119.26 126.87 1xgs h ALA 217 Ca -0.47 0.13 0.12 0.00 0.00 0.00 0.00 54.91 54.68 1xgs h ALA 217 Cb 1.23 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 19.23 1xgs h ALA 217 CO 0.94 -0.49 0.20 0.37 0.00 0.00 0.00 179.25 180.28 1xgs h GLN 218 N -0.04 0.34 -0.12 0.00 4.15 -1.99 0.41 115.11 117.86 1xgs h GLN 218 Ca 0.16 -0.02 -0.21 0.00 0.77 0.00 0.00 58.65 59.35 1xgs h GLN 218 Cb 0.29 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1xgs h GLN 218 CO -0.36 0.22 -0.77 0.00 -1.93 0.00 0.00 178.83 176.00 1xgs h ALA 219 N 1.49 0.43 -0.66 3.38 0.00 -1.83 -2.75 119.26 119.33 1xgs h ALA 219 Ca 0.35 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1xgs h ALA 219 Cb 0.51 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1xgs h ALA 219 CO -0.39 0.72 0.43 -0.09 0.00 0.00 0.00 179.25 179.92 1xgs h ARG 220 N 0.42 0.83 0.00 0.00 2.43 0.02 -1.89 114.38 116.20 1xgs h ARG 220 Ca -0.05 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 58.93 1xgs h ARG 220 Cb 1.37 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 1xgs h ARG 220 CO 0.15 0.55 -0.67 0.74 -1.51 0.00 0.00 179.97 179.23 1xgs h PHE 221 N 0.86 0.00 -0.62 2.20 -1.00 -1.03 -2.98 116.94 114.37 1xgs h PHE 221 Ca 0.25 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.96 1xgs h PHE 221 Cb -0.06 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.48 1xgs h PHE 221 CO -0.03 0.67 0.13 1.25 -1.61 0.00 0.00 178.31 178.72 1xgs h LEU 222 N 0.00 0.96 -0.73 1.54 5.85 -1.15 -0.67 115.31 121.11 1xgs h LEU 222 Ca -0.01 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1xgs h LEU 222 Cb 1.39 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 1xgs h LEU 222 CO 0.09 0.95 0.48 0.25 -0.34 0.00 0.00 178.44 179.87 1xgs h LEU 223 N 0.92 0.84 -0.60 2.25 5.85 -1.27 0.12 115.31 123.42 1xgs h LEU 223 Ca 0.19 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1xgs h LEU 223 Cb 0.38 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 1xgs h LEU 223 CO 0.01 0.61 0.27 0.00 -0.34 0.00 0.00 178.44 178.98 1xgs h ALA 224 N 1.27 0.78 0.75 1.25 0.00 -1.31 0.36 119.26 122.36 1xgs h ALA 224 Ca 0.27 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1xgs h ALA 224 Cb -0.11 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.45 1xgs h ALA 224 CO -0.06 0.37 -0.36 -0.22 0.00 0.00 0.00 179.25 178.98 1xgs h LYS 225 N 0.83 -0.97 -0.73 0.00 3.64 -0.64 -2.64 116.57 116.06 1xgs h LYS 225 Ca 0.20 0.07 0.16 0.00 -1.27 0.00 0.00 60.65 59.81 1xgs h LYS 225 Cb 0.16 0.22 -0.13 0.00 -0.41 0.00 0.00 32.23 32.07 1xgs h LYS 225 CO -0.02 -0.63 -0.02 0.82 -2.27 0.00 0.00 179.45 177.33 1xgs h ILE 226 N -1.17 0.36 -0.11 2.00 2.04 -0.68 0.53 117.51 120.49 1xgs h ILE 226 Ca -0.10 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.77 1xgs h ILE 226 Cb 0.79 0.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 1xgs h ILE 226 CO 0.17 0.02 -0.35 0.50 0.00 0.00 0.00 178.15 178.49 1xgs h LYS 227 N 0.09 -0.42 0.00 2.37 3.64 -0.84 0.19 116.57 121.60 1xgs h LYS 227 Ca 0.39 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1xgs h LYS 227 Cb 0.67 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1xgs h LYS 227 CO -0.65 -0.28 -0.59 2.89 -2.27 0.00 0.00 179.45 178.55 1xgs n ARG 228 N -5.42 0.10 -0.02 1.90 1.85 -0.91 -1.61 116.66 112.54 1xgs n ARG 228 Ca -0.04 0.02 -0.21 0.00 -1.00 0.00 0.00 57.85 56.62 1xgs n ARG 228 Cb 0.34 -1.55 -0.13 0.00 -1.05 0.00 0.00 32.46 30.06 1xgs n ARG 228 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1xgs n GLU 229 N -1.69 0.73 -0.05 2.89 2.13 0.13 -4.60 120.64 120.19 1xgs n GLU 229 Ca 0.05 0.26 -0.02 0.00 0.66 0.00 0.00 57.16 58.11 1xgs n GLU 229 Cb 0.37 -1.68 -0.11 0.00 0.27 0.00 0.00 31.44 30.29 1xgs n GLU 229 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1xgs n TYR 230 N -3.52 0.00 0.00 4.31 4.01 0.63 -5.07 117.16 117.52 1xgs n TYR 230 Ca -0.34 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.40 1xgs n TYR 230 Cb 1.01 -0.55 0.00 0.00 -0.31 0.00 0.00 39.34 39.49 1xgs n TYR 230 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xgs n GLY 231 N 2.01 2.63 0.92 2.72 0.00 -0.64 -2.84 105.19 109.99 1xgs n GLY 231 Ca -0.16 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.71 1xgs n GLY 231 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xgs n THR 232 N 0.00 0.32 -3.71 2.61 -2.24 -1.26 -4.27 114.28 105.72 1xgs n THR 232 Ca 0.00 -0.57 -0.33 0.00 -2.27 0.00 0.00 64.05 60.88 1xgs n THR 232 Cb 0.00 0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 69.03 1xgs n THR 232 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xgs s LEU 233 N -1.61 4.33 0.47 3.22 1.43 -1.13 -4.83 118.68 120.56 1xgs s LEU 233 Ca 0.35 0.58 -0.24 0.00 -1.03 0.00 0.00 54.13 53.80 1xgs s LEU 233 Cb 0.21 -2.98 -0.08 0.00 0.03 0.00 0.00 46.19 43.36 1xgs s LEU 233 CO 0.30 0.16 1.26 -2.65 0.23 0.00 0.00 176.35 175.65 1xgs n PRO 234 N 0.63 1.77 -4.21 1.29 -0.02 -1.26 -4.66 135.00 128.55 1xgs n PRO 234 Ca -0.07 0.64 -0.16 0.00 -2.02 0.00 0.00 63.50 61.89 1xgs n PRO 234 Cb 0.52 -2.42 -0.11 0.00 -0.02 0.00 0.00 33.50 31.48 1xgs n PRO 234 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1xgs s PHE 235 N -1.26 1.22 0.11 6.00 -0.12 -0.04 -4.33 117.98 119.57 1xgs s PHE 235 Ca 0.65 -0.63 -0.08 0.00 -0.05 0.00 0.00 56.93 56.82 1xgs s PHE 235 Cb -0.47 -0.65 -0.06 0.00 -0.63 0.00 0.00 43.02 41.21 1xgs s PHE 235 CO 0.55 0.07 0.41 0.00 -0.05 0.00 0.00 175.22 176.19 1xgs s ALA 236 N -2.46 3.73 0.35 1.99 0.00 -1.26 -1.54 121.76 122.57 1xgs s ALA 236 Ca 0.08 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.65 1xgs s ALA 236 Cb -0.03 -2.24 0.67 0.00 0.00 0.00 0.00 23.12 21.52 1xgs s ALA 236 CO 0.01 0.59 1.98 -0.92 0.00 0.00 0.00 175.76 177.42 1xgs h TYR 237 N 3.31 0.81 -0.74 0.00 3.20 -1.29 -1.31 116.97 120.96 1xgs h TYR 237 Ca -0.48 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.50 1xgs h TYR 237 Cb 1.18 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 39.13 1xgs h TYR 237 CO 0.64 0.47 0.48 -0.09 -1.64 0.00 0.00 178.16 178.02 1xgs h ARG 238 N 0.84 0.64 0.00 1.82 2.43 -1.80 -1.86 114.38 116.45 1xgs h ARG 238 Ca 0.29 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1xgs h ARG 238 Cb 0.10 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1xgs h ARG 238 CO -0.08 0.42 -0.00 -1.49 -1.51 0.00 0.00 179.97 177.31 1xgs h TRP 239 N 0.66 0.00 -0.01 2.20 6.55 -1.61 -3.01 115.95 120.73 1xgs h TRP 239 Ca 0.33 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.17 1xgs h TRP 239 Cb 0.43 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.73 1xgs h TRP 239 CO -0.00 0.00 -0.42 1.28 -1.05 0.00 0.00 178.44 178.25 1xgs n LEU 240 N -3.09 1.22 0.04 -4.49 4.77 -0.72 -4.70 117.00 110.03 1xgs n LEU 240 Ca -0.01 -0.67 0.19 0.00 -0.03 0.00 0.00 56.01 55.49 1xgs n LEU 240 Cb 0.23 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.02 1xgs n LEU 240 CO 0.25 0.25 1.17 1.56 -1.33 0.00 0.00 177.39 179.29 1xgs h GLN 241 N 1.05 0.00 -0.02 3.23 4.20 -1.36 -1.51 115.11 120.71 1xgs h GLN 241 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1xgs h GLN 241 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1xgs h GLN 241 CO 0.00 0.00 -0.03 0.09 -0.67 0.00 0.00 178.83 178.22 1xgs n ASN 242 N -4.29 2.26 0.17 1.46 3.02 -1.26 -4.29 115.26 112.33 1xgs n ASN 242 Ca 0.08 -1.73 0.09 0.00 -0.03 0.00 0.00 54.58 52.99 1xgs n ASN 242 Cb 0.54 0.03 0.10 0.00 -0.61 0.00 0.00 39.78 39.84 1xgs n ASN 242 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1xgs h ASP 243 N 3.50 0.00 -4.27 6.41 3.45 -1.59 -3.47 116.42 120.44 1xgs h ASP 243 Ca 0.00 0.00 0.08 0.00 0.43 0.00 0.00 57.03 57.54 1xgs h ASP 243 Cb 0.76 0.00 -0.21 0.00 -0.56 0.00 0.00 39.33 39.32 1xgs h ASP 243 CO 0.00 0.14 0.53 0.00 -1.57 0.00 0.00 179.24 178.33 1xgs s MET 244 N -3.17 0.65 0.20 3.56 0.23 -1.25 -5.14 119.30 114.38 1xgs s MET 244 Ca 0.05 0.06 -0.32 0.00 -1.03 0.00 0.00 55.69 54.44 1xgs s MET 244 Cb 0.06 0.31 -0.15 0.00 -1.53 0.00 0.00 34.83 33.52 1xgs s MET 244 CO 0.71 -0.22 1.22 -0.35 -2.03 0.00 0.00 175.02 174.35 1xgs n PRO 245 N 0.52 1.42 -0.36 3.16 -0.04 -1.26 -4.70 135.00 133.74 1xgs n PRO 245 Ca -0.10 0.50 0.30 0.00 -0.04 0.00 0.00 63.50 64.16 1xgs n PRO 245 Cb 0.59 -2.04 0.55 0.00 -0.04 0.00 0.00 33.50 32.56 1xgs n PRO 245 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1xgs h GLU 246 N 3.55 0.17 -0.02 0.54 4.81 -1.97 -1.92 114.58 119.74 1xgs h GLU 246 Ca -0.44 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1xgs h GLU 246 Cb 1.32 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1xgs h GLU 246 CO 0.71 0.11 0.01 0.78 -0.73 0.00 0.00 179.01 179.90 1xgs h GLY 247 N 0.18 0.03 2.00 1.92 0.00 -2.00 -1.17 103.07 104.02 1xgs h GLY 247 Ca 0.78 -0.01 -0.14 0.00 0.00 0.00 0.00 47.33 47.96 1xgs h GLY 247 CO -0.58 0.01 -0.67 1.46 0.00 0.00 0.00 176.54 176.76 1xgs h GLN 248 N -0.04 0.00 -0.03 4.80 4.20 -1.79 -2.82 115.11 119.44 1xgs h GLN 248 Ca 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1xgs h GLN 248 Cb 0.06 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.84 1xgs h GLN 248 CO -0.00 0.67 0.01 1.25 -0.67 0.00 0.00 178.83 180.09 1xgs h LEU 249 N 0.00 0.03 -0.66 1.46 5.85 -1.14 0.13 115.31 120.99 1xgs h LEU 249 Ca -0.01 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1xgs h LEU 249 Cb 1.26 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 1xgs h LEU 249 CO 0.09 0.15 0.39 0.11 -0.34 0.00 0.00 178.44 178.84 1xgs h LYS 250 N -0.08 0.90 -0.46 1.25 1.57 -1.23 -1.57 116.57 116.95 1xgs h LYS 250 Ca 0.01 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1xgs h LYS 250 Cb 0.12 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1xgs h LYS 250 CO -0.00 0.64 0.20 1.25 -0.57 0.00 0.00 179.45 180.97 1xgs h LEU 251 N 0.89 0.61 -0.37 2.94 7.12 -1.29 -1.48 115.31 123.73 1xgs h LEU 251 Ca 0.24 -0.15 -0.01 0.00 0.13 0.00 0.00 57.88 58.08 1xgs h LEU 251 Cb -0.02 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 39.94 1xgs h LEU 251 CO -0.04 0.60 0.18 0.00 -0.13 0.00 0.00 178.44 179.04 1xgs h ALA 252 N 1.04 0.48 -0.82 1.25 0.00 -0.44 -0.35 119.26 120.43 1xgs h ALA 252 Ca 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1xgs h ALA 252 Cb 0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1xgs h ALA 252 CO -0.02 0.05 0.36 -0.07 0.00 0.00 0.00 179.25 179.58 1xgs h LEU 253 N 0.46 1.10 -0.07 0.00 3.38 -1.17 -1.06 115.31 117.95 1xgs h LEU 253 Ca 0.13 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xgs h LEU 253 Cb 0.13 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1xgs h LEU 253 CO -0.02 0.95 0.04 0.11 0.09 0.00 0.00 178.44 179.62 1xgs h LYS 254 N 1.18 0.09 -0.95 1.13 1.79 -0.93 0.99 116.57 119.88 1xgs h LYS 254 Ca 0.28 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.80 1xgs h LYS 254 Cb 0.17 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.73 1xgs h LYS 254 CO -0.03 0.11 0.61 1.15 -1.08 0.00 0.00 179.45 180.20 1xgs h THR 255 N 0.05 1.08 -0.06 -0.16 2.02 -0.79 0.47 112.91 115.52 1xgs h THR 255 Ca 0.02 -0.38 -0.13 0.00 0.77 0.00 0.00 66.41 66.70 1xgs h THR 255 Cb 0.04 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.31 1xgs h THR 255 CO -0.00 0.20 -0.55 -0.07 0.37 0.00 0.00 175.52 175.47 1xgs h LEU 256 N 1.11 0.19 0.09 2.58 3.38 -0.72 -1.81 115.31 120.12 1xgs h LEU 256 Ca 0.41 -0.10 -0.27 0.00 0.09 0.00 0.00 57.88 58.01 1xgs h LEU 256 Cb 0.16 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 40.88 1xgs h LEU 256 CO -0.17 0.70 -1.11 -0.08 0.09 0.00 0.00 178.44 177.86 1xgs h GLU 257 N 0.13 0.60 0.00 1.13 4.81 0.32 0.26 114.58 121.83 1xgs h GLU 257 Ca -0.00 -0.76 -0.03 0.00 -0.13 0.00 0.00 59.36 58.43 1xgs h GLU 257 Cb 1.00 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 1xgs h GLU 257 CO 0.08 1.34 -0.15 0.87 -0.73 0.00 0.00 179.01 180.42 1xgs h LYS 258 N 0.22 0.00 -0.01 1.92 1.57 -0.02 -1.17 116.57 119.08 1xgs h LYS 258 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1xgs h LYS 258 Cb 1.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.11 1xgs h LYS 258 CO 0.22 0.15 -0.35 0.00 -0.57 0.00 0.00 179.45 178.90 1xgs n ALA 259 N -2.33 3.27 -1.01 3.86 0.00 -0.69 -4.96 120.51 118.66 1xgs n ALA 259 Ca -0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 53.44 52.98 1xgs n ALA 259 Cb 0.26 -1.07 -0.00 0.00 0.00 0.00 0.00 19.45 18.64 1xgs n ALA 259 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xgs n GLY 260 N 1.38 0.45 0.19 0.00 0.00 -0.44 -4.94 105.19 101.82 1xgs n GLY 260 Ca 0.11 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 1xgs n GLY 260 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xgs h ALA 261 N 0.00 0.29 -3.12 4.61 0.00 -0.68 -3.39 119.26 116.98 1xgs h ALA 261 Ca -0.01 -0.67 -0.31 0.00 0.00 0.00 0.00 54.91 53.92 1xgs h ALA 261 Cb 0.04 0.01 -0.20 0.00 0.00 0.00 0.00 17.79 17.63 1xgs h ALA 261 CO 0.01 0.74 -0.74 0.96 0.00 0.00 0.00 179.25 180.21 1xgs s ILE 262 N -3.42 0.74 -0.04 0.00 -4.36 -1.05 -0.80 121.20 112.28 1xgs s ILE 262 Ca -0.08 -1.26 0.04 0.00 -0.26 0.00 0.00 60.65 59.09 1xgs s ILE 262 Cb 0.08 -0.88 -0.03 0.00 1.25 0.00 0.00 42.46 42.88 1xgs s ILE 262 CO 0.89 -0.40 -0.15 -0.72 0.24 0.00 0.00 174.94 174.81 1xgs s TYR 263 N -1.62 2.68 0.12 1.37 -0.85 0.53 -4.15 117.35 115.42 1xgs s TYR 263 Ca -0.05 -0.18 -0.12 0.00 -0.52 0.00 0.00 57.07 56.21 1xgs s TYR 263 Cb -0.08 -1.61 -0.06 0.00 0.38 0.00 0.00 41.96 40.59 1xgs s TYR 263 CO 0.01 0.19 0.48 0.20 -1.52 0.00 0.00 175.55 174.90 1xgs s GLY 264 N -0.81 2.38 -0.56 5.49 0.00 -1.26 -0.80 107.32 111.76 1xgs s GLY 264 Ca 0.12 -0.26 0.01 0.00 0.00 0.00 0.00 44.72 44.59 1xgs s GLY 264 CO 0.01 -0.03 0.33 -0.19 0.00 0.00 0.00 173.10 173.22 1xgs s TYR 265 N -1.47 3.28 0.82 1.90 2.02 0.16 -4.97 117.35 119.09 1xgs s TYR 265 Ca 0.37 -2.99 -0.11 0.00 -0.37 0.00 0.00 57.07 53.96 1xgs s TYR 265 Cb -0.14 -2.97 0.09 0.00 -0.40 0.00 0.00 41.96 38.54 1xgs s TYR 265 CO 0.19 -0.78 1.13 -2.14 -1.57 0.00 0.00 175.55 172.38 1xgs s PRO 266 N -0.19 1.71 0.40 -1.71 0.02 -1.26 -4.00 135.00 129.97 1xgs s PRO 266 Ca 0.17 1.44 -0.27 0.00 0.02 0.00 0.00 61.00 62.37 1xgs s PRO 266 Cb -0.23 -1.81 -0.10 0.00 0.02 0.00 0.00 34.50 32.37 1xgs s PRO 266 CO -0.02 -2.10 1.38 0.28 -0.33 0.00 0.00 177.00 176.22 1xgs n VAL 267 N -3.66 2.32 -3.89 3.83 0.31 -0.97 -4.71 118.33 111.57 1xgs n VAL 267 Ca 0.11 -0.50 -0.36 0.00 -0.01 0.00 0.00 64.34 63.58 1xgs n VAL 267 Cb 0.52 -1.76 -0.13 0.00 -0.91 0.00 0.00 33.84 31.57 1xgs n VAL 267 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1xgs s LEU 268 N -1.88 3.34 0.05 7.52 1.43 -0.69 -0.91 118.68 127.55 1xgs s LEU 268 Ca 0.57 -0.21 0.09 0.00 -1.03 0.00 0.00 54.13 53.56 1xgs s LEU 268 Cb -0.50 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 1xgs s LEU 268 CO 0.61 0.01 -0.26 -0.75 0.23 0.00 0.00 176.35 176.19 1xgs s LYS 269 N 1.33 1.77 0.16 1.70 2.20 -0.48 0.22 119.74 126.64 1xgs s LYS 269 Ca 0.05 -1.13 -0.31 0.00 -0.36 0.00 0.00 55.97 54.21 1xgs s LYS 269 Cb -0.15 -1.98 -0.09 0.00 -1.51 0.00 0.00 37.83 34.10 1xgs s LYS 269 CO 0.02 0.51 1.49 -2.00 -0.36 0.00 0.00 175.35 175.01 1xgs s GLU 270 N -1.35 4.26 0.39 4.03 -6.30 0.38 -1.08 118.70 119.02 1xgs s GLU 270 Ca 0.12 2.26 0.16 0.00 -2.50 0.00 0.00 54.97 55.01 1xgs s GLU 270 Cb -0.10 -3.18 1.03 0.00 0.00 0.00 0.00 34.13 31.88 1xgs s GLU 270 CO 0.03 -0.53 1.80 0.97 0.02 0.00 0.00 175.26 177.55 1xgs h ILE 271 N 4.05 0.61 -0.49 -3.70 2.10 -1.19 -0.43 117.51 118.46 1xgs h ILE 271 Ca -0.43 -0.16 -0.18 0.00 1.08 0.00 0.00 64.86 65.17 1xgs h ILE 271 Cb 1.21 0.10 -0.11 0.00 -1.09 0.00 0.00 36.82 36.92 1xgs h ILE 271 CO 0.88 0.09 0.11 0.54 -1.08 0.00 0.00 178.15 178.69 1xgs n ARG 272 N -4.61 2.57 -1.76 2.19 1.74 -1.26 -4.93 116.66 110.60 1xgs n ARG 272 Ca 0.23 -3.05 -0.18 0.00 -0.77 0.00 0.00 57.85 54.07 1xgs n ARG 272 Cb 0.77 -1.96 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 1xgs n ARG 272 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1xgs n ASN 273 N -0.77 -4.96 -4.76 0.55 3.02 -0.17 -4.88 115.26 103.29 1xgs n ASN 273 Ca 0.35 0.35 -0.40 0.00 -0.03 0.00 0.00 54.58 54.85 1xgs n ASN 273 Cb 1.16 -4.36 -0.03 0.00 -0.61 0.00 0.00 39.78 35.93 1xgs n ASN 273 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1xgs s GLY 274 N -2.42 3.01 0.45 7.41 0.00 -1.26 -4.64 107.32 109.87 1xgs s GLY 274 Ca 0.00 1.03 -0.25 0.00 0.00 0.00 0.00 44.72 45.50 1xgs s GLY 274 CO 0.00 1.63 1.28 1.39 0.00 0.00 0.00 173.10 177.40 1xgs n ILE 275 N 0.85 2.82 -5.13 0.90 2.08 -1.26 -4.22 119.36 115.40 1xgs n ILE 275 Ca 0.00 -0.50 -0.29 0.00 0.56 0.00 0.00 62.75 62.52 1xgs n ILE 275 Cb 0.44 -1.59 -0.16 0.00 -0.75 0.00 0.00 39.64 37.58 1xgs n ILE 275 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 1xgs s VAL 276 N -1.23 1.84 0.06 1.39 1.01 -0.38 -3.14 120.40 119.95 1xgs s VAL 276 Ca 0.63 -0.96 0.09 0.00 0.00 0.00 0.00 61.98 61.74 1xgs s VAL 276 Cb -0.48 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1xgs s VAL 276 CO 0.56 0.52 -0.26 0.00 0.00 0.00 0.00 175.10 175.92 1xgs s ALA 277 N -0.24 2.22 -0.10 5.51 0.00 -0.07 -4.74 121.76 124.34 1xgs s ALA 277 Ca 0.00 -1.28 -0.11 0.00 0.00 0.00 0.00 51.96 50.58 1xgs s ALA 277 Cb -0.12 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.58 1xgs s ALA 277 CO 0.02 0.52 0.30 -1.14 0.00 0.00 0.00 175.76 175.46 1xgs s GLN 278 N -1.34 0.40 0.03 0.00 0.74 -1.26 -1.02 119.66 117.22 1xgs s GLN 278 Ca 0.12 0.34 0.02 0.00 0.05 0.00 0.00 55.36 55.89 1xgs s GLN 278 Cb -0.10 0.19 -0.02 0.00 1.10 0.00 0.00 33.01 34.18 1xgs s GLN 278 CO 0.03 -0.06 -0.07 -0.06 -0.55 0.00 0.00 175.29 174.58 1xgs s PHE 279 N -0.04 0.60 -0.12 1.67 0.08 -1.13 -2.87 117.98 116.17 1xgs s PHE 279 Ca -0.02 -0.46 -0.22 0.00 0.12 0.00 0.00 56.93 56.35 1xgs s PHE 279 Cb -0.03 -0.36 0.05 0.00 -0.57 0.00 0.00 43.02 42.11 1xgs s PHE 279 CO 0.01 -0.09 0.54 -2.00 -0.10 0.00 0.00 175.22 173.58 1xgs s GLU 280 N -1.42 0.77 0.04 0.44 2.12 -0.50 -3.11 118.70 117.04 1xgs s GLU 280 Ca -0.10 0.42 -0.01 0.00 0.36 0.00 0.00 54.97 55.65 1xgs s GLU 280 Cb -0.09 0.37 -0.03 0.00 0.26 0.00 0.00 34.13 34.63 1xgs s GLU 280 CO 0.00 -0.17 -0.03 -1.01 -0.54 0.00 0.00 175.26 173.51 1xgs s HIS 281 N -0.48 0.40 -0.10 5.30 3.76 -1.08 -1.76 115.29 121.33 1xgs s HIS 281 Ca -0.06 -0.81 -0.03 0.00 -0.15 0.00 0.00 55.06 54.01 1xgs s HIS 281 Cb -0.03 -0.29 -0.03 0.00 1.11 0.00 0.00 32.58 33.33 1xgs s HIS 281 CO 0.04 -0.29 0.02 0.99 -0.85 0.00 0.00 174.74 174.65 1xgs s THR 282 N -2.75 4.43 0.12 1.30 2.01 -1.19 -1.26 115.64 118.31 1xgs s THR 282 Ca -0.04 -0.20 0.06 0.00 0.31 0.00 0.00 61.69 61.83 1xgs s THR 282 Cb -0.01 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 1xgs s THR 282 CO -0.06 0.59 -0.15 0.27 -0.69 0.00 0.00 174.62 174.59 1xgs s ILE 283 N -0.72 1.36 -0.15 1.82 -4.36 0.97 -1.84 121.20 118.27 1xgs s ILE 283 Ca 0.11 -1.70 -0.00 0.00 -0.26 0.00 0.00 60.65 58.81 1xgs s ILE 283 Cb -0.12 -1.52 -0.01 0.00 1.25 0.00 0.00 42.46 42.06 1xgs s ILE 283 CO 0.02 -0.38 -0.13 -0.63 0.24 0.00 0.00 174.94 174.06 1xgs s ILE 284 N -2.04 2.88 -0.04 8.37 1.01 -0.03 -1.37 121.20 129.98 1xgs s ILE 284 Ca 0.08 -0.70 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 1xgs s ILE 284 Cb -0.05 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.17 1xgs s ILE 284 CO 0.03 0.51 1.05 -0.69 0.00 0.00 0.00 174.94 175.85 1xgs s VAL 285 N 0.68 4.63 0.52 2.92 1.01 0.76 -1.46 120.40 129.47 1xgs s VAL 285 Ca -0.07 1.90 0.06 0.00 0.00 0.00 0.00 61.98 63.87 1xgs s VAL 285 Cb -0.15 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.03 1xgs s VAL 285 CO 0.02 0.08 0.39 -1.61 0.00 0.00 0.00 175.10 173.98 1xgs s GLU 286 N 1.55 2.29 0.11 2.72 0.41 0.61 -0.92 118.70 125.46 1xgs s GLU 286 Ca 0.52 -1.94 -0.21 0.00 -0.41 0.00 0.00 54.97 52.93 1xgs s GLU 286 Cb -0.22 -2.13 -0.09 0.00 -1.78 0.00 0.00 34.13 29.91 1xgs s GLU 286 CO 0.24 -0.53 1.75 0.87 -0.49 0.00 0.00 175.26 177.09 1xgs h LYS 287 N 0.83 0.11 -0.01 1.61 1.57 -1.96 -1.52 116.57 117.21 1xgs h LYS 287 Ca -0.38 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1xgs h LYS 287 Cb 1.29 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1xgs h LYS 287 CO 0.58 0.07 -0.11 -0.25 -0.57 0.00 0.00 179.45 179.17 1xgs n ASP 288 N -5.05 1.16 -0.79 0.86 9.92 -1.26 -3.01 116.55 118.38 1xgs n ASP 288 Ca -0.05 -1.08 0.00 0.00 -0.53 0.00 0.00 54.79 53.13 1xgs n ASP 288 Cb 0.05 0.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 1xgs n ASP 288 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1xgs n SER 289 N -0.14 0.00 -4.10 -2.24 3.41 -1.25 -4.85 113.62 104.45 1xgs n SER 289 Ca 0.03 -0.79 -0.13 0.00 -0.26 0.00 0.00 58.87 57.72 1xgs n SER 289 Cb 0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 1xgs n SER 289 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1xgs s VAL 290 N -2.85 0.66 -0.20 -3.33 -7.23 -1.26 -0.29 120.40 105.90 1xgs s VAL 290 Ca 0.00 -1.34 -0.08 0.00 -1.81 0.00 0.00 61.98 58.75 1xgs s VAL 290 Cb 0.00 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.95 1xgs s VAL 290 CO 0.00 -0.49 0.08 -0.63 -0.31 0.00 0.00 175.10 173.75 1xgs s ILE 291 N -1.96 4.87 -0.46 -0.62 1.01 -0.54 -4.93 121.20 118.57 1xgs s ILE 291 Ca -0.03 -0.00 -0.17 0.00 0.00 0.00 0.00 60.65 60.44 1xgs s ILE 291 Cb -0.06 -3.21 0.05 0.00 0.01 0.00 0.00 42.46 39.24 1xgs s ILE 291 CO -0.01 0.43 0.49 -0.69 0.00 0.00 0.00 174.94 175.17 1xgs s VAL 292 N 0.56 5.05 0.21 2.92 1.01 -1.26 -0.85 120.40 128.04 1xgs s VAL 292 Ca 0.04 -0.58 0.23 0.00 0.00 0.00 0.00 61.98 61.67 1xgs s VAL 292 Cb -0.13 -4.15 0.22 0.00 0.00 0.00 0.00 36.38 32.32 1xgs s VAL 292 CO 0.01 -0.59 1.86 0.71 0.00 0.00 0.00 175.10 177.09 1xgs h THR 293 N 5.78 0.66 -0.46 3.92 1.35 -1.73 -3.18 112.91 119.25 1xgs h THR 293 Ca -0.27 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.49 1xgs h THR 293 Cb 1.11 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 1xgs h THR 293 CO 0.87 0.24 0.00 0.35 -0.25 0.00 0.00 175.52 176.73 1xgs n THR 294 N -3.50 1.85 1.85 6.82 -2.24 -1.26 -3.48 114.28 114.33 1xgs n THR 294 Ca -0.00 -1.38 0.15 0.00 -2.27 0.00 0.00 64.05 60.55 1xgs n THR 294 Cb 0.41 0.07 0.82 0.00 -2.10 0.00 0.00 70.33 69.53 1xgs n THR 294 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71