#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwf n LYS 3 N 0.00 3.25 -1.66 -1.24 4.01 -1.26 -5.07 118.16 116.19 1xwf n LYS 3 Ca 0.00 -3.98 -0.33 0.00 -0.51 0.00 0.00 58.31 53.49 1xwf n LYS 3 Cb 0.00 -2.27 0.06 0.00 -0.51 0.00 0.00 35.03 32.30 1xwf n LYS 3 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1xwf s LEU 4 N -3.70 3.32 0.24 -0.35 1.43 -1.26 -4.97 118.68 113.39 1xwf s LEU 4 Ca 0.53 1.97 0.23 0.00 -1.03 0.00 0.00 54.13 55.83 1xwf s LEU 4 Cb 0.43 -4.55 0.08 0.00 0.03 0.00 0.00 46.19 42.19 1xwf s LEU 4 CO -0.10 -1.72 1.16 1.55 0.23 0.00 0.00 176.35 177.47 1xwf h PRO 5 N -0.19 0.00 0.00 1.29 0.13 -1.97 -3.49 132.00 127.77 1xwf h PRO 5 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1xwf h PRO 5 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xwf h PRO 5 CO 0.53 0.00 0.00 2.48 -0.23 0.00 0.00 178.00 180.78 1xwf n TYR 6 N -2.72 0.00 -3.45 1.56 0.18 -1.26 -3.75 117.16 107.72 1xwf n TYR 6 Ca 0.01 0.00 -0.26 0.00 1.88 0.00 0.00 57.90 59.53 1xwf n TYR 6 Cb 0.54 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.38 1xwf n TYR 6 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1xwf s LYS 7 N -2.00 0.46 0.38 -3.48 2.47 0.19 -4.93 119.74 112.84 1xwf s LYS 7 Ca 0.00 -0.96 0.08 0.00 -1.56 0.00 0.00 55.97 53.53 1xwf s LYS 7 Cb 0.00 -1.10 -0.06 0.00 -1.46 0.00 0.00 37.83 35.21 1xwf s LYS 7 CO 0.00 -1.15 0.07 0.14 0.16 0.00 0.00 175.35 174.57 1xwf s VAL 8 N 1.48 2.37 0.00 4.02 -7.23 -1.26 -2.46 120.40 117.33 1xwf s VAL 8 Ca 0.15 -1.89 -0.00 0.00 -1.81 0.00 0.00 61.98 58.43 1xwf s VAL 8 Cb -0.19 -2.91 -0.00 0.00 0.56 0.00 0.00 36.38 33.84 1xwf s VAL 8 CO -0.11 -0.09 1.00 0.00 -0.31 0.00 0.00 175.10 175.60 1xwf h ALA 9 N 1.67 -0.82 -3.23 1.32 0.00 -1.87 -3.43 119.26 112.89 1xwf h ALA 9 Ca -0.43 -0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.07 1xwf h ALA 9 Cb 1.25 0.18 -0.39 0.00 0.00 0.00 0.00 17.79 18.83 1xwf h ALA 9 CO 0.71 -0.82 -0.75 0.34 0.00 0.00 0.00 179.25 178.73 1xwf s ASP 10 N -2.20 1.58 0.56 0.00 -1.08 -1.26 -5.01 116.67 109.26 1xwf s ASP 10 Ca -0.00 -0.16 0.26 0.00 -0.52 0.00 0.00 52.55 52.13 1xwf s ASP 10 Cb 0.00 -0.22 1.51 0.00 -1.46 0.00 0.00 42.92 42.75 1xwf s ASP 10 CO 0.00 -0.27 2.06 -0.29 0.52 0.00 0.00 175.17 177.19 1xwf h ILE 11 N 6.42 0.62 -0.44 4.11 6.09 -1.93 -2.47 117.51 129.91 1xwf h ILE 11 Ca -0.14 0.00 0.08 0.00 -1.37 0.00 0.00 64.86 63.44 1xwf h ILE 11 Cb 1.13 0.81 -0.07 0.00 0.47 0.00 0.00 36.82 39.15 1xwf h ILE 11 CO 0.21 0.00 -0.01 1.23 -3.07 0.00 0.00 178.15 176.50 1xwf h GLY 12 N 0.00 0.43 0.20 8.18 0.00 -1.95 -2.44 103.07 107.50 1xwf h GLY 12 Ca 0.14 0.07 0.05 0.00 0.00 0.00 0.00 47.33 47.59 1xwf h GLY 12 CO -0.00 -0.12 0.85 1.41 0.00 0.00 0.00 176.54 178.67 1xwf h LEU 13 N 0.09 0.00 -0.51 3.11 -0.00 -1.79 -3.20 115.31 113.02 1xwf h LEU 13 Ca 0.22 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 58.15 1xwf h LEU 13 Cb 0.33 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.92 1xwf h LEU 13 CO -0.38 0.00 -0.34 0.00 -0.00 0.00 0.00 178.44 177.72 1xwf h ALA 14 N 0.47 -0.37 -0.70 1.53 0.00 -1.65 -0.68 119.26 117.86 1xwf h ALA 14 Ca 0.09 0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.20 1xwf h ALA 14 Cb 1.78 1.17 -0.13 0.00 0.00 0.00 0.00 17.79 20.60 1xwf h ALA 14 CO -0.00 -0.59 -0.15 0.00 0.00 0.00 0.00 179.25 178.51 1xwf n ALA 15 N -3.10 0.20 -0.00 0.00 0.00 -1.21 0.10 120.51 116.50 1xwf n ALA 15 Ca 0.01 0.77 -0.18 0.00 0.00 0.00 0.00 53.44 54.04 1xwf n ALA 15 Cb 0.16 -0.48 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 1xwf n ALA 15 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1xwf h TRP 16 N 0.00 0.94 -0.79 0.00 7.01 -1.59 -2.67 115.95 118.84 1xwf h TRP 16 Ca 0.35 -0.46 0.03 0.00 2.11 0.00 0.00 58.89 60.92 1xwf h TRP 16 Cb 0.57 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.45 1xwf h TRP 16 CO -0.52 1.28 0.52 0.78 -2.79 0.00 0.00 178.44 177.72 1xwf h GLY 17 N 0.33 1.11 1.78 2.65 0.00 0.21 0.19 103.07 109.35 1xwf h GLY 17 Ca -0.08 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 1xwf h GLY 17 CO 0.16 0.34 -0.28 -0.09 0.00 0.00 0.00 176.54 176.68 1xwf h ARG 18 N 0.99 0.26 -0.52 4.80 9.65 0.09 -1.53 114.38 128.12 1xwf h ARG 18 Ca 0.31 -0.09 0.03 0.00 -1.10 0.00 0.00 59.98 59.13 1xwf h ARG 18 Cb 0.02 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.54 1xwf h ARG 18 CO -0.09 0.52 0.29 0.87 2.80 0.00 0.00 179.97 184.36 1xwf h LYS 19 N 0.23 0.55 0.28 0.20 1.57 -0.29 -2.80 116.57 116.31 1xwf h LYS 19 Ca 0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xwf h LYS 19 Cb 0.62 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1xwf h LYS 19 CO 0.04 0.37 -0.13 0.00 -0.57 0.00 0.00 179.45 179.16 1xwf h ALA 20 N 1.25 -0.37 -0.04 3.86 0.00 -0.88 -2.84 119.26 120.25 1xwf h ALA 20 Ca 0.22 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xwf h ALA 20 Cb 0.08 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xwf h ALA 20 CO -0.12 -0.60 0.33 -0.07 0.00 0.00 0.00 179.25 178.79 1xwf h LEU 21 N -0.60 0.00 0.19 0.00 3.38 -1.18 0.20 115.31 117.31 1xwf h LEU 21 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1xwf h LEU 21 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1xwf h LEU 21 CO 0.06 0.00 -0.09 0.44 0.09 0.00 0.00 178.44 178.94 1xwf h ASP 22 N 0.00 -0.22 -0.36 -0.43 3.32 -1.26 -2.50 116.42 114.97 1xwf h ASP 22 Ca 0.02 -0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.01 1xwf h ASP 22 Cb 0.68 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.24 1xwf h ASP 22 CO -0.00 0.30 0.04 0.40 -1.72 0.00 0.00 179.24 178.26 1xwf h ILE 23 N -1.03 0.78 -0.82 0.35 5.03 -0.95 -2.81 117.51 118.06 1xwf h ILE 23 Ca -0.03 -0.05 0.07 0.00 -0.12 0.00 0.00 64.86 64.73 1xwf h ILE 23 Cb 0.32 0.61 -0.06 0.00 -3.03 0.00 0.00 36.82 34.66 1xwf h ILE 23 CO 0.04 0.03 0.50 0.00 -0.68 0.00 0.00 178.15 178.04 1xwf h ALA 24 N 1.29 1.14 -0.47 1.87 0.00 -0.79 -2.87 119.26 119.44 1xwf h ALA 24 Ca 0.18 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.21 1xwf h ALA 24 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1xwf h ALA 24 CO -0.26 0.20 0.33 0.93 0.00 0.00 0.00 179.25 180.45 1xwf h GLU 25 N 0.88 0.11 0.00 0.00 5.08 -1.16 -0.85 114.58 118.65 1xwf h GLU 25 Ca 0.37 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1xwf h GLU 25 Cb 0.23 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1xwf h GLU 25 CO -0.19 0.08 0.00 -0.91 -1.00 0.00 0.00 179.01 176.98 1xwf h ASN 26 N 0.12 0.00 -0.02 1.42 4.21 -1.59 -2.55 115.58 117.17 1xwf h ASN 26 Ca 0.22 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.73 1xwf h ASN 26 Cb 0.72 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.92 1xwf h ASN 26 CO -0.03 0.00 -0.27 -0.62 -1.29 0.00 0.00 177.43 175.22 1xwf n GLU 27 N -2.38 1.61 -3.66 0.81 -0.58 -0.34 -4.63 120.64 111.48 1xwf n GLU 27 Ca 0.02 -1.26 -0.27 0.00 -0.42 0.00 0.00 57.16 55.23 1xwf n GLU 27 Cb 0.27 -1.42 -0.10 0.00 -0.57 0.00 0.00 31.44 29.63 1xwf n GLU 27 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1xwf n MET 28 N 0.43 1.90 -0.08 3.49 2.81 -0.96 -2.72 117.12 121.99 1xwf n MET 28 Ca 0.10 -4.39 -0.10 0.00 -1.81 0.00 0.00 57.70 51.51 1xwf n MET 28 Cb 0.47 -2.17 -0.02 0.00 -0.71 0.00 0.00 33.22 30.78 1xwf n MET 28 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1xwf h PRO 29 N 4.90 0.36 -0.04 0.03 0.11 -1.82 -2.34 132.00 133.21 1xwf h PRO 29 Ca 0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1xwf h PRO 29 Cb 0.74 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1xwf h PRO 29 CO 0.72 0.29 -0.05 0.78 -0.21 0.00 0.00 178.00 179.52 1xwf h GLY 30 N 0.34 -1.89 0.37 -0.55 0.00 -1.80 0.66 103.07 100.20 1xwf h GLY 30 Ca 0.10 0.84 0.11 0.00 0.00 0.00 0.00 47.33 48.37 1xwf h GLY 30 CO -0.02 -0.70 0.33 1.41 0.00 0.00 0.00 176.54 177.56 1xwf h LEU 31 N -0.04 0.39 -1.91 3.11 3.38 -1.74 0.19 115.31 118.69 1xwf h LEU 31 Ca 0.01 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1xwf h LEU 31 Cb 0.05 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xwf h LEU 31 CO -0.06 0.21 -0.12 0.24 0.09 0.00 0.00 178.44 178.80 1xwf h MET 32 N 0.54 0.00 -0.01 1.13 2.86 -0.88 -0.69 114.93 117.88 1xwf h MET 32 Ca 0.36 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.84 1xwf h MET 32 Cb 0.44 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.11 1xwf h MET 32 CO -0.31 0.12 -0.64 -0.09 1.06 0.00 0.00 176.91 177.05 1xwf h ARG 33 N 0.00 0.46 -0.85 1.72 9.65 0.32 -2.95 114.38 122.74 1xwf h ARG 33 Ca -0.00 -0.48 0.13 0.00 -1.10 0.00 0.00 59.98 58.53 1xwf h ARG 33 Cb 0.31 0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 28.95 1xwf h ARG 33 CO 0.02 1.12 0.55 0.52 2.80 0.00 0.00 179.97 184.98 1xwf h MET 34 N -0.02 0.66 -0.43 0.20 2.86 0.08 0.16 114.93 118.43 1xwf h MET 34 Ca -0.08 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.40 1xwf h MET 34 Cb 1.34 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.84 1xwf h MET 34 CO 0.13 0.43 -0.19 0.00 1.06 0.00 0.00 176.91 178.34 1xwf h ARG 35 N 0.67 0.89 0.48 1.72 3.08 -1.18 -1.65 114.38 118.40 1xwf h ARG 35 Ca 0.41 -0.38 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1xwf h ARG 35 Cb 0.65 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1xwf h ARG 35 CO -0.18 1.03 -0.23 0.93 -1.07 0.00 0.00 179.97 180.46 1xwf h GLU 36 N 0.72 -0.62 -0.40 0.04 5.08 -0.62 0.50 114.58 119.29 1xwf h GLU 36 Ca 0.10 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.62 1xwf h GLU 36 Cb 0.76 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1xwf h GLU 36 CO 0.06 -0.41 0.39 0.52 -1.00 0.00 0.00 179.01 178.57 1xwf h MET 37 N -0.73 0.00 0.00 2.33 2.86 -1.01 -3.24 114.93 115.14 1xwf h MET 37 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1xwf h MET 37 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 1xwf h MET 37 CO 0.11 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.74 1xwf n TYR 38 N -3.86 0.00 -0.01 -0.22 4.01 -0.62 -4.71 117.16 111.76 1xwf n TYR 38 Ca 0.07 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.89 1xwf n TYR 38 Cb 0.57 0.00 0.48 0.00 -0.31 0.00 0.00 39.34 40.08 1xwf n TYR 38 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1xwf h SER 39 N 0.00 0.38 0.00 7.72 0.87 -0.01 -0.09 113.55 122.41 1xwf h SER 39 Ca 0.00 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1xwf h SER 39 Cb 0.15 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1xwf h SER 39 CO 0.00 0.26 -0.13 0.00 -0.53 0.00 0.00 176.83 176.43 1xwf h ALA 40 N 1.75 0.02 -0.72 6.23 0.00 -1.80 -3.32 119.26 121.43 1xwf h ALA 40 Ca 0.19 -0.36 0.16 0.00 0.00 0.00 0.00 54.91 54.90 1xwf h ALA 40 Cb 0.20 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1xwf h ALA 40 CO -0.05 0.08 0.49 0.77 0.00 0.00 0.00 179.25 180.54 1xwf h SER 41 N -1.00 0.27 -6.26 0.00 0.02 -1.82 -3.46 113.55 101.31 1xwf h SER 41 Ca -0.03 0.02 -0.45 0.00 -0.84 0.00 0.00 61.79 60.49 1xwf h SER 41 Cb 0.60 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.11 1xwf h SER 41 CO -0.02 0.14 -0.86 0.29 -1.14 0.00 0.00 176.83 175.24 1xwf n LYS 42 N -4.44 -4.08 0.00 3.45 4.76 -0.06 -4.80 118.16 112.99 1xwf n LYS 42 Ca 0.14 0.53 0.02 0.00 -2.87 0.00 0.00 58.31 56.12 1xwf n LYS 42 Cb 0.58 -4.87 0.10 0.00 -1.84 0.00 0.00 35.03 29.00 1xwf n LYS 42 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1xwf n PRO 43 N -4.31 0.08 -0.31 1.97 -0.04 -1.21 -2.06 135.00 129.12 1xwf n PRO 43 Ca -0.30 0.16 0.07 0.00 -0.04 0.00 0.00 63.50 63.39 1xwf n PRO 43 Cb 0.68 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.85 1xwf n PRO 43 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xwf n LEU 44 N -1.18 3.42 -4.73 1.53 4.77 -0.14 -4.85 117.00 115.81 1xwf n LEU 44 Ca 0.02 -2.41 -0.41 0.00 -0.03 0.00 0.00 56.01 53.18 1xwf n LEU 44 Cb 0.02 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1xwf n LEU 44 CO 0.03 0.72 0.99 0.29 -1.33 0.00 0.00 177.39 178.08 1xwf n LYS 45 N 0.18 2.24 -0.47 3.23 4.76 0.88 -1.57 118.16 127.40 1xwf n LYS 45 Ca 0.16 0.79 0.00 0.00 -2.87 0.00 0.00 58.31 56.39 1xwf n LYS 45 Cb 0.63 -2.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.33 1xwf n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xwf n GLY 46 N 0.66 1.96 3.72 0.72 0.00 -1.26 -5.00 105.19 105.99 1xwf n GLY 46 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1xwf n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwf s ALA 47 N -3.38 3.46 -0.49 4.61 0.00 -0.61 -4.99 121.76 120.36 1xwf s ALA 47 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 1xwf s ALA 47 Cb 0.00 -2.68 0.13 0.00 0.00 0.00 0.00 23.12 20.57 1xwf s ALA 47 CO 0.00 0.00 0.30 1.03 0.00 0.00 0.00 175.76 177.09 1xwf s ARG 48 N 0.59 2.23 -0.12 0.00 0.52 -1.26 -1.31 118.95 119.59 1xwf s ARG 48 Ca 0.27 -2.08 -0.23 0.00 -0.52 0.00 0.00 55.73 53.17 1xwf s ARG 48 Cb -0.16 -3.65 -0.03 0.00 0.52 0.00 0.00 34.95 31.63 1xwf s ARG 48 CO 0.11 -1.12 0.71 0.42 0.02 0.00 0.00 175.30 175.45 1xwf s ILE 49 N 0.71 5.01 -0.45 1.52 1.01 0.29 -2.19 121.20 127.11 1xwf s ILE 49 Ca 0.11 1.42 -0.12 0.00 0.00 0.00 0.00 60.65 62.06 1xwf s ILE 49 Cb -0.22 -4.04 0.07 0.00 0.01 0.00 0.00 42.46 38.29 1xwf s ILE 49 CO -0.04 0.17 0.33 0.00 0.00 0.00 0.00 174.94 175.40 1xwf s ALA 50 N 1.34 3.43 -0.11 9.38 0.00 -0.68 -1.34 121.76 133.78 1xwf s ALA 50 Ca 0.36 -2.13 -0.10 0.00 0.00 0.00 0.00 51.96 50.09 1xwf s ALA 50 Cb -0.17 -2.87 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 1xwf s ALA 50 CO 0.15 -1.69 0.21 0.20 0.00 0.00 0.00 175.76 174.64 1xwf s GLY 51 N 2.36 2.22 -0.34 0.00 0.00 -0.10 -2.55 107.32 108.91 1xwf s GLY 51 Ca 0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 44.72 44.21 1xwf s GLY 51 CO 0.04 -0.10 0.16 0.00 0.00 0.00 0.00 173.10 173.20 1xwf s LEU 53 N 1.33 0.02 -0.19 0.00 0.20 -1.05 -2.53 118.68 116.45 1xwf s LEU 53 Ca 0.13 0.94 -0.26 0.00 0.69 0.00 0.00 54.13 55.63 1xwf s LEU 53 Cb -0.20 1.51 -0.12 0.00 -0.43 0.00 0.00 46.19 46.95 1xwf s LEU 53 CO -0.16 -0.18 0.83 1.41 -0.29 0.00 0.00 176.35 177.96 1xwf n HIS 54 N 3.63 0.81 -2.65 5.38 8.25 -1.26 -4.16 115.22 125.21 1xwf n HIS 54 Ca -0.19 0.66 -0.42 0.00 -0.26 0.00 0.00 57.72 57.51 1xwf n HIS 54 Cb 0.56 -1.28 -0.03 0.00 1.12 0.00 0.00 29.99 30.36 1xwf n HIS 54 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1xwf s MET 55 N 1.16 3.58 0.42 -0.41 1.75 -1.26 -4.69 119.30 119.86 1xwf s MET 55 Ca 0.59 -1.25 0.01 0.00 -1.25 0.00 0.00 55.69 53.78 1xwf s MET 55 Cb -0.83 -5.21 0.01 0.00 2.84 0.00 0.00 34.83 31.63 1xwf s MET 55 CO 0.43 -2.10 0.06 0.25 -0.65 0.00 0.00 175.02 173.01 1xwf n THR 56 N 6.53 0.00 0.07 10.11 -2.24 -1.26 -0.44 114.28 127.05 1xwf n THR 56 Ca 0.30 -1.94 0.02 0.00 -2.27 0.00 0.00 64.05 60.16 1xwf n THR 56 Cb 0.50 0.30 0.38 0.00 -2.10 0.00 0.00 70.33 69.42 1xwf n THR 56 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1xwf h VAL 57 N 1.11 1.16 0.01 2.28 2.07 -1.91 -1.69 116.25 119.27 1xwf h VAL 57 Ca -0.34 -0.65 -0.20 0.00 0.82 0.00 0.00 66.70 66.34 1xwf h VAL 57 Cb 1.05 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1xwf h VAL 57 CO 0.55 0.22 -0.91 -0.33 0.02 0.00 0.00 177.57 177.12 1xwf h GLU 58 N 0.35 0.17 -0.14 1.57 3.07 -1.96 -2.87 114.58 114.76 1xwf h GLU 58 Ca 0.08 -0.20 -0.15 0.00 -0.50 0.00 0.00 59.36 58.59 1xwf h GLU 58 Cb 0.27 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 1xwf h GLU 58 CO 0.01 0.97 -0.56 1.15 -1.40 0.00 0.00 179.01 179.18 1xwf h THR 59 N 0.09 1.34 -0.19 1.13 2.02 -1.77 -1.95 112.91 113.58 1xwf h THR 59 Ca -0.05 -1.84 0.03 0.00 0.77 0.00 0.00 66.41 65.33 1xwf h THR 59 Cb 1.56 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 69.78 1xwf h THR 59 CO 0.14 0.56 0.01 0.00 0.37 0.00 0.00 175.52 176.59 1xwf h ALA 60 N 1.07 0.17 -0.04 6.16 0.00 -1.26 0.57 119.26 125.93 1xwf h ALA 60 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xwf h ALA 60 Cb 1.08 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xwf h ALA 60 CO 0.10 -0.43 0.03 0.28 0.00 0.00 0.00 179.25 179.23 1xwf h VAL 61 N 0.07 0.99 -0.04 0.00 2.07 -1.27 -0.64 116.25 117.43 1xwf h VAL 61 Ca 0.09 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1xwf h VAL 61 Cb 0.11 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1xwf h VAL 61 CO -0.15 0.00 -0.05 0.25 0.02 0.00 0.00 177.57 177.65 1xwf h LEU 62 N 0.01 0.11 -0.15 2.57 5.85 0.13 -2.79 115.31 121.05 1xwf h LEU 62 Ca 0.02 -0.51 0.03 0.00 0.84 0.00 0.00 57.88 58.26 1xwf h LEU 62 Cb 0.06 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1xwf h LEU 62 CO -0.00 0.60 -0.02 0.40 -0.34 0.00 0.00 178.44 179.07 1xwf h ILE 63 N -0.38 0.87 0.00 4.05 2.04 0.71 -1.02 117.51 123.78 1xwf h ILE 63 Ca 0.00 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1xwf h ILE 63 Cb 0.57 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1xwf h ILE 63 CO 0.01 0.00 -0.02 -0.33 0.00 0.00 0.00 178.15 177.82 1xwf h GLU 64 N 0.02 0.00 0.02 2.37 5.08 -1.22 -2.43 114.58 118.41 1xwf h GLU 64 Ca 0.07 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.22 1xwf h GLU 64 Cb 0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1xwf h GLU 64 CO -0.14 0.02 -0.98 1.15 -1.00 0.00 0.00 179.01 178.05 1xwf h THR 65 N 0.00 1.65 0.04 1.13 2.02 -0.91 -1.86 112.91 114.97 1xwf h THR 65 Ca -0.00 -3.18 -0.23 0.00 0.77 0.00 0.00 66.41 63.77 1xwf h THR 65 Cb 0.27 2.76 -0.01 0.00 -1.74 0.00 0.00 68.15 69.43 1xwf h THR 65 CO 0.00 0.91 -1.01 -0.07 0.37 0.00 0.00 175.52 175.73 1xwf h LEU 66 N 0.02 0.34 -0.13 2.58 3.38 -0.98 -2.88 115.31 117.64 1xwf h LEU 66 Ca -0.03 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1xwf h LEU 66 Cb 1.71 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 42.35 1xwf h LEU 66 CO 0.13 1.16 -0.09 0.58 0.09 0.00 0.00 178.44 180.31 1xwf h VAL 67 N 0.12 1.33 -0.43 1.22 2.07 -1.49 -2.89 116.25 116.19 1xwf h VAL 67 Ca -0.07 -1.19 0.06 0.00 0.82 0.00 0.00 66.70 66.32 1xwf h VAL 67 Cb 1.68 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 1xwf h VAL 67 CO 0.16 0.34 0.29 0.00 0.02 0.00 0.00 177.57 178.38 1xwf h ALA 68 N 0.63 2.01 -0.11 1.67 0.00 -1.38 1.01 119.26 123.09 1xwf h ALA 68 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xwf h ALA 68 Cb 0.59 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1xwf h ALA 68 CO 0.03 -0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.47 1xwf n LEU 69 N -4.47 1.82 -2.77 0.00 4.32 -1.09 -4.46 117.00 110.34 1xwf n LEU 69 Ca 0.06 -0.92 -0.02 0.00 -0.02 0.00 0.00 56.01 55.11 1xwf n LEU 69 Cb 0.27 -0.51 0.00 0.00 -1.62 0.00 0.00 43.42 41.56 1xwf n LEU 69 CO 0.35 0.31 -0.37 0.61 -1.22 0.00 0.00 177.39 177.06 1xwf n GLY 70 N 0.14 -3.49 3.54 -0.72 0.00 0.35 -0.97 105.19 104.03 1xwf n GLY 70 Ca 0.05 0.64 -0.14 0.00 0.00 0.00 0.00 46.02 46.57 1xwf n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwf s ALA 71 N -1.84 -1.83 0.07 4.61 0.00 -1.18 -0.08 121.76 121.51 1xwf s ALA 71 Ca 0.06 1.38 -0.17 0.00 0.00 0.00 0.00 51.96 53.23 1xwf s ALA 71 Cb -0.02 -0.23 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 1xwf s ALA 71 CO 0.76 -0.38 0.52 -1.21 0.00 0.00 0.00 175.76 175.45 1xwf s GLU 72 N -1.37 4.08 0.01 0.00 0.41 -0.43 -4.35 118.70 117.04 1xwf s GLU 72 Ca -0.06 0.60 0.00 0.00 -0.41 0.00 0.00 54.97 55.10 1xwf s GLU 72 Cb -0.00 -3.17 -0.01 0.00 -1.78 0.00 0.00 34.13 29.17 1xwf s GLU 72 CO 0.05 0.62 -0.02 0.08 -0.49 0.00 0.00 175.26 175.50 1xwf s VAL 73 N -1.18 0.09 -0.07 2.63 1.01 -1.26 -0.54 120.40 121.07 1xwf s VAL 73 Ca 0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1xwf s VAL 73 Cb -0.18 -0.13 0.03 0.00 0.00 0.00 0.00 36.38 36.10 1xwf s VAL 73 CO 0.18 -0.14 -0.01 -0.13 0.00 0.00 0.00 175.10 175.00 1xwf s ARG 74 N -0.47 0.72 0.23 2.72 0.52 -0.45 -4.22 118.95 118.00 1xwf s ARG 74 Ca -0.05 0.05 0.10 0.00 -0.52 0.00 0.00 55.73 55.31 1xwf s ARG 74 Cb -0.03 -1.01 -0.04 0.00 0.52 0.00 0.00 34.95 34.39 1xwf s ARG 74 CO -0.00 -0.27 -0.08 -0.46 0.02 0.00 0.00 175.30 174.51 1xwf s TRP 75 N 1.80 2.60 -0.23 -0.53 -0.11 -0.61 -0.92 118.94 120.94 1xwf s TRP 75 Ca 0.03 -0.24 -0.19 0.00 1.22 0.00 0.00 56.10 56.92 1xwf s TRP 75 Cb -0.13 -1.21 0.06 0.00 -1.50 0.00 0.00 33.47 30.70 1xwf s TRP 75 CO -0.05 0.58 0.60 -1.54 -4.62 0.00 0.00 176.95 171.93 1xwf s SER 76 N -3.23 -0.68 0.40 5.86 1.04 -0.49 -1.32 113.70 115.28 1xwf s SER 76 Ca 0.28 1.25 -0.25 0.00 0.48 0.00 0.00 55.95 57.71 1xwf s SER 76 Cb -0.07 1.22 -0.08 0.00 0.10 0.00 0.00 66.02 67.18 1xwf s SER 76 CO 0.17 -0.22 1.18 -0.55 0.98 0.00 0.00 173.24 174.80 1xwf s SER 77 N 0.70 6.49 0.00 7.02 0.15 -1.26 -2.52 113.70 124.28 1xwf s SER 77 Ca -0.03 2.38 0.30 0.00 0.70 0.00 0.00 55.95 59.29 1xwf s SER 77 Cb -0.05 -2.62 1.39 0.00 -1.71 0.00 0.00 66.02 63.03 1xwf s SER 77 CO -0.05 -0.70 1.95 0.00 1.20 0.00 0.00 173.24 175.64 1xwf s ASN 79 N -2.37 0.98 0.40 0.00 3.84 -1.26 -4.93 114.94 111.61 1xwf s ASN 79 Ca 0.33 -0.49 0.24 0.00 0.21 0.00 0.00 52.86 53.15 1xwf s ASN 79 Cb 0.20 -0.00 0.45 0.00 -0.55 0.00 0.00 41.25 41.35 1xwf s ASN 79 CO 0.44 -0.13 1.65 0.16 -2.79 0.00 0.00 177.10 176.43 1xwf h ILE 80 N 4.55 0.00 0.00 -5.21 3.07 -1.91 -3.37 117.51 114.64 1xwf h ILE 80 Ca -0.35 -0.90 -0.04 0.00 1.55 0.00 0.00 64.86 65.12 1xwf h ILE 80 Cb 1.20 1.90 -0.01 0.00 -0.27 0.00 0.00 36.82 39.63 1xwf h ILE 80 CO 0.42 0.00 -1.30 0.49 -1.05 0.00 0.00 178.15 176.71 1xwf n PHE 81 N -2.96 0.00 0.28 0.16 3.72 -1.26 0.15 117.46 117.55 1xwf n PHE 81 Ca 0.04 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.62 1xwf n PHE 81 Cb 0.51 -0.19 0.91 0.00 -0.94 0.00 0.00 39.48 39.77 1xwf n PHE 81 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1xwf h SER 82 N 0.00 0.00 -4.09 4.37 4.64 -1.89 -3.43 113.55 113.15 1xwf h SER 82 Ca -0.06 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.70 1xwf h SER 82 Cb 0.74 0.00 0.15 0.00 -0.31 0.00 0.00 62.40 62.98 1xwf h SER 82 CO 0.00 0.00 0.53 -0.89 -0.87 0.00 0.00 176.83 175.60 1xwf s THR 83 N -3.85 2.13 -0.46 2.95 2.01 -1.26 -4.52 115.64 112.64 1xwf s THR 83 Ca -0.03 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.08 1xwf s THR 83 Cb 0.10 -3.04 0.13 0.00 0.01 0.00 0.00 72.50 69.70 1xwf s THR 83 CO 0.35 -0.01 0.23 -1.10 -0.69 0.00 0.00 174.62 173.39 1xwf s GLN 84 N -3.27 1.55 0.29 4.92 -0.21 0.41 -4.60 119.66 118.76 1xwf s GLN 84 Ca 0.80 -2.20 0.17 0.00 0.02 0.00 0.00 55.36 54.15 1xwf s GLN 84 Cb -0.37 -2.78 1.06 0.00 1.00 0.00 0.00 33.01 31.92 1xwf s GLN 84 CO 0.40 -1.12 1.23 -0.25 -2.12 0.00 0.00 175.29 173.44 1xwf n ASP 85 N 3.48 0.26 0.14 5.90 10.43 -1.26 0.15 116.55 135.65 1xwf n ASP 85 Ca 0.06 1.27 0.02 0.00 2.57 0.00 0.00 54.79 58.71 1xwf n ASP 85 Cb 0.34 -0.62 0.10 0.00 1.84 0.00 0.00 41.12 42.79 1xwf n ASP 85 CO 0.00 0.00 0.00 1.12 -1.07 0.00 0.00 177.20 177.25 1xwf h HIS 86 N 0.00 0.00 -0.05 1.24 2.07 -1.91 0.19 115.15 116.69 1xwf h HIS 86 Ca 0.66 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 58.15 1xwf h HIS 86 Cb 1.80 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.78 1xwf h HIS 86 CO -0.01 0.56 -0.09 0.00 -3.07 0.00 0.00 177.93 175.31 1xwf h ALA 87 N 1.44 0.07 0.00 6.11 0.00 0.11 -2.63 119.26 124.36 1xwf h ALA 87 Ca -0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1xwf h ALA 87 Cb 1.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1xwf h ALA 87 CO 0.07 -0.07 -0.18 0.00 0.00 0.00 0.00 179.25 179.08 1xwf h ALA 88 N 0.47 1.57 1.00 0.00 0.00 -1.14 -2.88 119.26 118.29 1xwf h ALA 88 Ca 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1xwf h ALA 88 Cb 0.67 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1xwf h ALA 88 CO 0.02 0.22 -0.48 0.00 0.00 0.00 0.00 179.25 179.01 1xwf h ALA 89 N 1.82 -1.35 -0.45 0.00 0.00 -0.47 -2.35 119.26 116.46 1xwf h ALA 89 Ca -0.00 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.68 1xwf h ALA 89 Cb 0.34 0.52 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 1xwf h ALA 89 CO 0.02 -1.25 -0.47 0.00 0.00 0.00 0.00 179.25 177.55 1xwf h ALA 90 N -1.35 -0.51 -0.71 0.00 0.00 -1.27 -0.95 119.26 114.48 1xwf h ALA 90 Ca -0.14 0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.00 1xwf h ALA 90 Cb 1.03 0.98 -0.04 0.00 0.00 0.00 0.00 17.79 19.76 1xwf h ALA 90 CO 0.23 -0.91 0.49 0.82 0.00 0.00 0.00 179.25 179.87 1xwf h ILE 91 N -0.32 0.73 0.41 0.00 2.04 -1.52 0.15 117.51 118.99 1xwf h ILE 91 Ca 0.13 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1xwf h ILE 91 Cb 0.58 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1xwf h ILE 91 CO -0.61 0.04 -0.20 0.00 0.00 0.00 0.00 178.15 177.38 1xwf h ALA 92 N 1.66 -0.55 -0.88 1.87 0.00 -0.65 -2.78 119.26 117.92 1xwf h ALA 92 Ca 0.35 -0.14 0.26 0.00 0.00 0.00 0.00 54.91 55.37 1xwf h ALA 92 Cb 1.06 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 1xwf h ALA 92 CO -0.07 -0.53 0.74 -0.22 0.00 0.00 0.00 179.25 179.17 1xwf h LYS 93 N -1.11 0.00 0.00 0.00 3.11 -0.72 0.89 116.57 118.74 1xwf h LYS 93 Ca -0.06 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1xwf h LYS 93 Cb 0.47 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 1xwf h LYS 93 CO 0.09 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.73 1xwf n ALA 94 N -2.56 2.24 -2.93 5.00 0.00 -0.01 -4.85 120.51 117.39 1xwf n ALA 94 Ca 0.18 -0.08 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 1xwf n ALA 94 Cb 1.04 -1.21 0.05 0.00 0.00 0.00 0.00 19.45 19.33 1xwf n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwf n GLY 95 N 0.26 0.06 2.96 0.00 0.00 0.31 -5.04 105.19 103.74 1xwf n GLY 95 Ca 0.10 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1xwf n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xwf s ILE 96 N -3.19 0.98 -0.16 -0.61 1.01 -1.07 -5.06 121.20 113.11 1xwf s ILE 96 Ca 0.15 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.16 1xwf s ILE 96 Cb -0.07 -0.94 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 1xwf s ILE 96 CO 0.40 0.33 1.94 -2.84 0.00 0.00 0.00 174.94 174.77 1xwf s PRO 97 N 1.00 3.62 -0.04 2.79 0.02 -1.25 -4.23 135.00 136.92 1xwf s PRO 97 Ca -0.09 2.02 0.02 0.00 0.02 0.00 0.00 61.00 62.98 1xwf s PRO 97 Cb -0.15 -4.20 0.02 0.00 0.02 0.00 0.00 34.50 30.19 1xwf s PRO 97 CO -0.00 -1.54 -0.07 0.08 -0.33 0.00 0.00 177.00 175.14 1xwf s VAL 98 N 6.23 0.72 -0.59 3.83 1.01 -1.26 -1.58 120.40 128.77 1xwf s VAL 98 Ca 0.87 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.65 1xwf s VAL 98 Cb -0.32 -0.69 0.21 0.00 0.00 0.00 0.00 36.38 35.58 1xwf s VAL 98 CO 0.35 0.25 0.56 0.49 0.00 0.00 0.00 175.10 176.75 1xwf n PHE 99 N 3.78 2.15 -3.92 5.22 3.72 -0.43 0.57 117.46 128.56 1xwf n PHE 99 Ca -0.23 -3.98 -0.10 0.00 -0.05 0.00 0.00 57.45 53.08 1xwf n PHE 99 Cb 0.52 -0.42 -0.11 0.00 -0.94 0.00 0.00 39.48 38.53 1xwf n PHE 99 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xwf s ALA 100 N -1.52 -0.09 -0.09 4.37 0.00 -1.03 -4.25 121.76 119.16 1xwf s ALA 100 Ca 0.33 -0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.70 1xwf s ALA 100 Cb 0.07 0.08 0.12 0.00 0.00 0.00 0.00 23.12 23.39 1xwf s ALA 100 CO -0.11 -0.15 0.99 1.67 0.00 0.00 0.00 175.76 178.16 1xwf s TRP 101 N -1.14 -0.30 0.76 0.00 -2.14 -1.26 -3.93 118.94 110.94 1xwf s TRP 101 Ca -0.12 0.28 -0.14 0.00 2.66 0.00 0.00 56.10 58.77 1xwf s TRP 101 Cb -0.07 0.51 0.06 0.00 -3.10 0.00 0.00 33.47 30.87 1xwf s TRP 101 CO 0.00 -0.42 1.22 0.21 -2.66 0.00 0.00 176.95 175.30 1xwf s LYS 102 N -2.46 1.91 -0.12 3.25 2.47 -1.26 -4.22 119.74 119.31 1xwf s LYS 102 Ca 0.04 1.80 -0.10 0.00 -1.56 0.00 0.00 55.97 56.15 1xwf s LYS 102 Cb -0.01 -1.80 0.02 0.00 -1.46 0.00 0.00 37.83 34.57 1xwf s LYS 102 CO -0.06 -2.02 0.17 0.41 0.16 0.00 0.00 175.35 174.02 1xwf n GLY 103 N 0.50 0.05 3.99 5.54 0.00 0.40 -4.94 105.19 110.73 1xwf n GLY 103 Ca 0.14 0.30 -0.19 0.00 0.00 0.00 0.00 46.02 46.27 1xwf n GLY 103 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xwf s GLU 104 N -0.64 3.03 0.35 1.61 -1.05 -1.15 -5.02 118.70 115.83 1xwf s GLU 104 Ca 0.10 -1.05 -0.10 0.00 -0.15 0.00 0.00 54.97 53.77 1xwf s GLU 104 Cb -0.01 -2.79 -0.07 0.00 -0.44 0.00 0.00 34.13 30.83 1xwf s GLU 104 CO 0.23 -0.06 0.70 0.95 0.95 0.00 0.00 175.26 178.03 1xwf s THR 105 N -2.25 4.83 0.40 1.83 -4.23 -1.26 -4.81 115.64 110.15 1xwf s THR 105 Ca 0.48 0.56 0.21 0.00 -1.18 0.00 0.00 61.69 61.76 1xwf s THR 105 Cb -0.10 -3.70 0.41 0.00 1.34 0.00 0.00 72.50 70.45 1xwf s THR 105 CO 0.32 -0.38 1.71 0.44 -0.54 0.00 0.00 174.62 176.17 1xwf h ASP 106 N 1.63 0.40 0.03 3.99 3.32 -1.99 1.37 116.42 125.18 1xwf h ASP 106 Ca -0.47 0.12 -0.15 0.00 0.02 0.00 0.00 57.03 56.54 1xwf h ASP 106 Cb 1.18 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1xwf h ASP 106 CO 0.65 -0.02 -0.52 -0.33 -1.72 0.00 0.00 179.24 177.29 1xwf h GLU 107 N 0.30 0.54 -0.16 3.56 3.07 -2.00 -2.80 114.58 117.09 1xwf h GLU 107 Ca 0.68 -0.33 -0.05 0.00 -0.50 0.00 0.00 59.36 59.16 1xwf h GLU 107 Cb 1.84 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.78 1xwf h GLU 107 CO -0.38 0.93 -0.10 0.93 -1.40 0.00 0.00 179.01 178.98 1xwf h GLU 108 N 0.42 0.35 -0.00 2.33 5.08 0.12 -1.96 114.58 120.91 1xwf h GLU 108 Ca 0.01 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1xwf h GLU 108 Cb 1.06 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1xwf h GLU 108 CO 0.10 0.69 -0.08 -0.92 -1.00 0.00 0.00 179.01 177.79 1xwf h TYR 109 N 0.01 -0.24 -0.92 4.33 3.20 -0.23 0.68 116.97 123.79 1xwf h TYR 109 Ca 0.03 0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.17 1xwf h TYR 109 Cb 0.60 0.11 -0.16 0.00 1.54 0.00 0.00 36.73 38.82 1xwf h TYR 109 CO 0.07 -0.09 0.22 1.25 -1.64 0.00 0.00 178.16 177.98 1xwf h LEU 110 N -0.10 -0.07 0.20 2.82 7.12 -1.55 0.61 115.31 124.34 1xwf h LEU 110 Ca 0.00 0.22 -0.00 0.00 0.13 0.00 0.00 57.88 58.23 1xwf h LEU 110 Cb 0.11 0.32 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 1xwf h LEU 110 CO -0.06 -0.23 -0.14 -0.25 -0.13 0.00 0.00 178.44 177.63 1xwf h TRP 111 N 0.14 -0.36 -0.37 1.25 7.01 -0.49 -2.51 115.95 120.62 1xwf h TRP 111 Ca 0.60 -0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.67 1xwf h TRP 111 Cb 1.27 0.13 -0.09 0.00 -2.10 0.00 0.00 29.16 28.37 1xwf h TRP 111 CO -0.29 -0.22 -0.29 0.00 -2.79 0.00 0.00 178.44 174.85 1xwf h ILE 113 N -0.24 0.50 -0.46 0.00 2.04 -0.97 -1.92 117.51 116.46 1xwf h ILE 113 Ca 0.17 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.13 1xwf h ILE 113 Cb 0.51 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1xwf h ILE 113 CO -0.50 0.00 0.32 -0.33 0.00 0.00 0.00 178.15 177.63 1xwf h GLU 114 N -0.14 0.19 0.00 2.37 5.08 -0.93 0.87 114.58 122.03 1xwf h GLU 114 Ca 0.16 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xwf h GLU 114 Cb 0.38 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1xwf h GLU 114 CO -0.38 0.13 0.00 1.04 -1.00 0.00 0.00 179.01 178.79 1xwf n GLN 115 N -4.45 0.01 0.00 2.33 1.13 -0.72 -1.17 117.38 114.50 1xwf n GLN 115 Ca 0.07 0.37 0.10 0.00 -1.94 0.00 0.00 57.00 55.60 1xwf n GLN 115 Cb 0.39 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.18 1xwf n GLN 115 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1xwf n THR 116 N -1.48 0.00 -0.19 5.09 -2.24 0.30 -4.45 114.28 111.30 1xwf n THR 116 Ca 0.02 -0.15 -0.09 0.00 -2.27 0.00 0.00 64.05 61.55 1xwf n THR 116 Cb 0.08 1.13 0.01 0.00 -2.10 0.00 0.00 70.33 69.45 1xwf n THR 116 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xwf h LEU 117 N 1.19 0.94 -8.75 3.22 3.38 -1.22 -3.43 115.31 110.63 1xwf h LEU 117 Ca 0.00 -0.30 -0.67 0.00 0.09 0.00 0.00 57.88 57.00 1xwf h LEU 117 Cb 0.60 -0.25 -0.25 0.00 0.09 0.00 0.00 40.66 40.85 1xwf h LEU 117 CO 0.00 1.00 -0.76 -1.00 0.09 0.00 0.00 178.44 177.77 1xwf s HIS 118 N -5.06 2.79 0.30 1.13 3.76 -1.26 -1.25 115.29 115.70 1xwf s HIS 118 Ca -0.12 -0.42 0.04 0.00 -0.15 0.00 0.00 55.06 54.40 1xwf s HIS 118 Cb 0.13 -1.76 0.04 0.00 1.11 0.00 0.00 32.58 32.09 1xwf s HIS 118 CO 0.84 -0.04 0.30 1.19 -0.85 0.00 0.00 174.74 176.18 1xwf n PHE 119 N 3.02 -1.59 -0.04 1.40 3.01 0.11 -4.98 117.46 118.41 1xwf n PHE 119 Ca -0.18 -1.22 0.07 0.00 1.01 0.00 0.00 57.45 57.14 1xwf n PHE 119 Cb 0.53 -0.26 0.27 0.00 -0.01 0.00 0.00 39.48 40.00 1xwf n PHE 119 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1xwf n LYS 120 N -1.37 3.04 -0.11 -1.08 -0.00 -1.26 -3.35 118.16 114.03 1xwf n LYS 120 Ca 0.02 -2.11 0.02 0.00 -0.00 0.00 0.00 58.31 56.24 1xwf n LYS 120 Cb 0.33 -1.74 0.02 0.00 -0.00 0.00 0.00 35.03 33.65 1xwf n LYS 120 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xwf n ASP 121 N 0.77 0.92 0.00 -5.58 8.00 -1.26 -5.12 116.55 114.29 1xwf n ASP 121 Ca 0.19 -1.80 0.00 0.00 0.71 0.00 0.00 54.79 53.89 1xwf n ASP 121 Cb 0.70 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1xwf n ASP 121 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xwf n GLY 122 N -0.36 0.44 3.96 0.44 0.00 -1.21 -5.09 105.19 103.35 1xwf n GLY 122 Ca 0.02 -2.22 -0.28 0.00 0.00 0.00 0.00 46.02 43.55 1xwf n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xwf s PRO 123 N -0.44 0.83 0.80 1.61 0.04 -1.26 0.10 135.00 136.68 1xwf s PRO 123 Ca 0.00 -0.71 -0.12 0.00 0.04 0.00 0.00 61.00 60.21 1xwf s PRO 123 Cb 0.00 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.62 1xwf s PRO 123 CO 0.00 -2.19 1.14 -0.48 0.04 0.00 0.00 177.00 175.50 1xwf s LEU 124 N -5.68 3.08 0.00 -3.56 2.34 -0.38 -4.72 118.68 109.75 1xwf s LEU 124 Ca 0.73 2.09 0.00 0.00 0.06 0.00 0.00 54.13 57.01 1xwf s LEU 124 Cb -0.03 -4.56 0.00 0.00 -0.56 0.00 0.00 46.19 41.04 1xwf s LEU 124 CO 0.51 -2.40 0.28 -0.46 -1.06 0.00 0.00 176.35 173.22 1xwf n ASN 125 N -3.45 0.48 -3.75 1.48 0.23 -0.93 -4.28 115.26 105.04 1xwf n ASN 125 Ca 0.11 -1.06 -0.13 0.00 -0.53 0.00 0.00 54.58 52.97 1xwf n ASN 125 Cb 0.52 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.12 1xwf n ASN 125 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1xwf s MET 126 N -0.06 0.44 -0.10 -3.83 -1.94 -1.07 -0.36 119.30 112.39 1xwf s MET 126 Ca 0.00 0.46 0.03 0.00 -1.71 0.00 0.00 55.69 54.47 1xwf s MET 126 Cb 0.00 0.21 0.01 0.00 2.01 0.00 0.00 34.83 37.06 1xwf s MET 126 CO 0.00 -0.06 -0.20 0.42 -0.01 0.00 0.00 175.02 175.17 1xwf s ILE 127 N 0.08 1.78 -0.34 2.53 1.01 -0.48 -1.68 121.20 124.10 1xwf s ILE 127 Ca -0.01 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.83 1xwf s ILE 127 Cb -0.03 -1.56 0.10 0.00 0.01 0.00 0.00 42.46 40.98 1xwf s ILE 127 CO 0.01 0.50 0.06 -0.22 0.00 0.00 0.00 174.94 175.29 1xwf s LEU 128 N 0.52 4.80 0.09 2.97 0.20 -1.06 -1.68 118.68 124.53 1xwf s LEU 128 Ca -0.16 -2.15 0.07 0.00 0.69 0.00 0.00 54.13 52.58 1xwf s LEU 128 Cb -0.17 -1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 43.91 1xwf s LEU 128 CO 0.06 -0.39 -0.10 -0.62 -0.29 0.00 0.00 176.35 175.01 1xwf s ASP 129 N 0.95 4.40 -0.15 3.68 -1.08 -0.90 -1.55 116.67 122.01 1xwf s ASP 129 Ca 0.11 -0.37 0.15 0.00 -0.52 0.00 0.00 52.55 51.92 1xwf s ASP 129 Cb -0.19 -0.85 0.40 0.00 -1.46 0.00 0.00 42.92 40.82 1xwf s ASP 129 CO -0.08 0.19 1.20 -0.67 0.52 0.00 0.00 175.17 176.33 1xwf n ASP 130 N 0.80 1.57 0.00 -0.34 2.03 -1.05 -3.15 116.55 116.40 1xwf n ASP 130 Ca -0.14 -3.38 0.00 0.00 0.52 0.00 0.00 54.79 51.79 1xwf n ASP 130 Cb 0.52 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 1xwf n ASP 130 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xwf n GLY 131 N -0.78 0.00 1.94 0.27 0.00 -1.26 -4.72 105.19 100.64 1xwf n GLY 131 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1xwf n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xwf n GLY 132 N 0.00 0.80 0.23 -0.02 0.00 -1.26 -4.19 105.19 100.74 1xwf n GLY 132 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1xwf n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xwf h ASP 133 N 0.00 0.58 0.36 1.61 5.19 -1.96 0.81 116.42 123.01 1xwf h ASP 133 Ca 0.00 -0.24 -0.15 0.00 -0.62 0.00 0.00 57.03 56.02 1xwf h ASP 133 Cb 0.00 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 1xwf h ASP 133 CO 0.00 0.89 -0.61 0.25 -3.12 0.00 0.00 179.24 176.65 1xwf h LEU 134 N 0.46 0.28 0.16 1.55 7.12 -1.93 -1.93 115.31 121.02 1xwf h LEU 134 Ca 0.05 -0.16 -0.01 0.00 0.13 0.00 0.00 57.88 57.89 1xwf h LEU 134 Cb 0.85 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.90 1xwf h LEU 134 CO 0.07 0.82 -0.08 0.74 -0.13 0.00 0.00 178.44 179.87 1xwf h THR 135 N 0.18 0.70 0.12 1.05 2.02 -1.85 -3.18 112.91 111.95 1xwf h THR 135 Ca -0.01 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.01 1xwf h THR 135 Cb 1.12 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 1xwf h THR 135 CO 0.10 0.19 -0.17 0.78 0.37 0.00 0.00 175.52 176.79 1xwf h ASN 136 N -0.94 -0.49 -0.80 4.18 -0.26 0.58 -1.88 115.58 115.97 1xwf h ASN 136 Ca -0.02 0.04 0.17 0.00 -0.56 0.00 0.00 56.30 55.93 1xwf h ASN 136 Cb 0.48 0.17 -0.15 0.00 -1.06 0.00 0.00 38.32 37.76 1xwf h ASN 136 CO 0.04 -0.21 -0.17 -0.11 -1.06 0.00 0.00 177.43 175.91 1xwf n LEU 137 N -3.39 -0.26 0.24 1.61 7.94 -0.73 -1.38 117.00 121.03 1xwf n LEU 137 Ca -0.04 1.37 -0.09 0.00 -1.11 0.00 0.00 56.01 56.14 1xwf n LEU 137 Cb 0.15 -0.42 -0.04 0.00 0.53 0.00 0.00 43.42 43.63 1xwf n LEU 137 CO 0.08 -1.32 0.42 0.40 -1.11 0.00 0.00 177.39 175.86 1xwf h ILE 138 N 0.00 0.00 -1.49 1.96 2.04 -1.47 -0.68 117.51 117.87 1xwf h ILE 138 Ca 0.40 -0.10 0.47 0.00 1.00 0.00 0.00 64.86 66.62 1xwf h ILE 138 Cb 0.64 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.61 1xwf h ILE 138 CO -0.81 0.00 1.00 0.45 0.00 0.00 0.00 178.15 178.79 1xwf h HIS 139 N -0.72 0.35 -0.00 1.37 3.86 -0.39 0.32 115.15 119.94 1xwf h HIS 139 Ca -0.06 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1xwf h HIS 139 Cb 0.47 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.85 1xwf h HIS 139 CO 0.08 -0.14 -0.64 0.25 0.86 0.00 0.00 177.93 178.35 1xwf n THR 140 N -4.46 0.00 0.00 2.45 -2.24 -0.71 -4.42 114.28 104.90 1xwf n THR 140 Ca 0.38 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1xwf n THR 140 Cb 1.58 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 70.87 1xwf n THR 140 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1xwf n LYS 141 N -1.00 3.18 -1.57 -0.78 5.02 -0.27 -4.85 118.16 117.88 1xwf n LYS 141 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1xwf n LYS 141 Cb 0.28 -0.38 0.08 0.00 -0.02 0.00 0.00 35.03 34.99 1xwf n LYS 141 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xwf n HIS 142 N -0.51 0.60 -0.36 2.13 8.25 0.10 -4.92 115.22 120.51 1xwf n HIS 142 Ca 0.00 -1.32 0.32 0.00 -0.26 0.00 0.00 57.72 56.46 1xwf n HIS 142 Cb 0.00 -0.22 0.55 0.00 1.12 0.00 0.00 29.99 31.44 1xwf n HIS 142 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1xwf n PRO 143 N -0.32 -0.04 -0.17 -0.41 -0.02 -1.19 -1.13 135.00 131.72 1xwf n PRO 143 Ca 0.15 1.09 -0.09 0.00 -2.02 0.00 0.00 63.50 62.64 1xwf n PRO 143 Cb 0.93 -2.10 -0.07 0.00 -0.02 0.00 0.00 33.50 32.25 1xwf n PRO 143 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1xwf h GLN 144 N 0.00 -0.15 -0.40 -0.52 7.50 -1.91 -1.70 115.11 117.92 1xwf h GLN 144 Ca 0.74 0.01 0.12 0.00 0.50 0.00 0.00 58.65 60.02 1xwf h GLN 144 Cb 2.25 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 29.80 1xwf h GLN 144 CO -0.47 -0.10 0.54 -0.07 -1.50 0.00 0.00 178.83 177.23 1xwf h LEU 145 N -0.16 0.00 -0.42 1.46 3.38 -1.53 -3.24 115.31 114.80 1xwf h LEU 145 Ca 0.07 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.11 1xwf h LEU 145 Cb 0.35 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.02 1xwf h LEU 145 CO -0.50 0.00 -0.49 -0.07 0.09 0.00 0.00 178.44 177.46 1xwf h LEU 146 N 0.00 -1.65 -1.80 1.67 -0.00 -1.43 0.43 115.31 112.54 1xwf h LEU 146 Ca 0.19 0.23 0.00 0.00 -0.00 0.00 0.00 57.88 58.30 1xwf h LEU 146 Cb 1.27 0.70 0.00 0.00 -0.00 0.00 0.00 40.66 42.63 1xwf h LEU 146 CO -0.00 -0.39 0.34 0.28 -0.00 0.00 0.00 178.44 178.67 1xwf h SER 147 N -0.36 0.00 0.58 -0.43 0.02 -1.75 0.55 113.55 112.16 1xwf h SER 147 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1xwf h SER 147 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1xwf h SER 147 CO -0.59 0.00 -0.78 0.61 -1.14 0.00 0.00 176.83 174.92 1xwf n GLY 148 N -1.23 -1.28 3.72 -3.77 0.00 0.15 -4.87 105.19 97.90 1xwf n GLY 148 Ca -0.02 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 1xwf n GLY 148 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xwf s ILE 149 N -3.14 5.20 -0.06 -0.61 1.01 0.19 -4.30 121.20 119.49 1xwf s ILE 149 Ca 0.06 0.92 -0.03 0.00 0.00 0.00 0.00 60.65 61.60 1xwf s ILE 149 Cb 0.15 -3.80 -0.27 0.00 0.01 0.00 0.00 42.46 38.55 1xwf s ILE 149 CO 0.76 0.33 0.60 -0.09 0.00 0.00 0.00 174.94 176.54 1xwf h ARG 150 N 6.72 0.23 -3.16 2.79 2.43 -0.98 -3.47 114.38 118.94 1xwf h ARG 150 Ca -0.41 -0.39 0.03 0.00 -0.81 0.00 0.00 59.98 58.40 1xwf h ARG 150 Cb 1.18 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.82 1xwf h ARG 150 CO 0.76 1.06 0.15 0.20 -1.51 0.00 0.00 179.97 180.63 1xwf s GLY 151 N -5.26 0.11 -0.01 2.80 0.00 -1.24 -4.30 107.32 99.42 1xwf s GLY 151 Ca -0.14 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.09 1xwf s GLY 151 CO 0.82 -0.24 -0.00 -0.42 0.00 0.00 0.00 173.10 173.26 1xwf s ILE 152 N -3.78 0.05 -0.22 0.90 1.01 -0.62 -1.38 121.20 117.16 1xwf s ILE 152 Ca 0.14 0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.81 1xwf s ILE 152 Cb -0.05 -0.09 0.06 0.00 0.01 0.00 0.00 42.46 42.40 1xwf s ILE 152 CO 0.08 0.04 -0.03 -0.94 0.00 0.00 0.00 174.94 174.10 1xwf s SER 153 N 0.26 3.53 0.07 3.58 1.04 -0.68 -0.70 113.70 120.81 1xwf s SER 153 Ca -0.02 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 55.36 1xwf s SER 153 Cb -0.04 -0.99 -0.04 0.00 0.10 0.00 0.00 66.02 65.06 1xwf s SER 153 CO -0.01 -0.26 0.20 -1.61 0.98 0.00 0.00 173.24 172.54 1xwf s GLU 154 N 1.55 3.34 0.00 4.02 0.41 -1.12 -2.13 118.70 124.77 1xwf s GLU 154 Ca -0.04 -0.50 0.00 0.00 -0.41 0.00 0.00 54.97 54.02 1xwf s GLU 154 Cb -0.18 -2.98 0.00 0.00 -1.78 0.00 0.00 34.13 29.19 1xwf s GLU 154 CO -0.07 0.59 0.32 -1.91 -0.49 0.00 0.00 175.26 173.70 1xwf n GLU 155 N 0.23 -0.10 -5.23 1.61 2.13 -1.19 -1.11 120.64 116.97 1xwf n GLU 155 Ca -0.06 -0.36 -0.32 0.00 0.66 0.00 0.00 57.16 57.09 1xwf n GLU 155 Cb 0.51 -0.72 -0.16 0.00 0.27 0.00 0.00 31.44 31.34 1xwf n GLU 155 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1xwf s THR 156 N -0.08 2.13 0.27 6.31 -4.23 -1.26 -4.47 115.64 114.30 1xwf s THR 156 Ca 0.00 -1.04 -0.06 0.00 -1.18 0.00 0.00 61.69 59.42 1xwf s THR 156 Cb 0.00 -1.78 0.38 0.00 1.34 0.00 0.00 72.50 72.45 1xwf s THR 156 CO 0.00 0.57 1.59 0.74 -0.54 0.00 0.00 174.62 176.98 1xwf h THR 157 N 5.08 0.12 -0.03 3.99 2.02 -1.97 1.11 112.91 123.23 1xwf h THR 157 Ca -0.31 -0.01 -0.11 0.00 0.77 0.00 0.00 66.41 66.75 1xwf h THR 157 Cb 1.18 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1xwf h THR 157 CO 0.47 0.00 -0.49 0.74 0.37 0.00 0.00 175.52 176.62 1xwf h THR 158 N 0.02 1.35 0.05 3.16 2.02 -1.95 -0.75 112.91 116.81 1xwf h THR 158 Ca 0.48 -1.69 -0.13 0.00 0.77 0.00 0.00 66.41 65.84 1xwf h THR 158 Cb 0.84 1.87 0.01 0.00 -1.74 0.00 0.00 68.15 69.14 1xwf h THR 158 CO -0.88 0.49 -0.53 1.23 0.37 0.00 0.00 175.52 176.21 1xwf h GLY 159 N 1.42 0.30 0.53 2.16 0.00 -0.08 -3.04 103.07 104.38 1xwf h GLY 159 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1xwf h GLY 159 CO 0.07 0.56 -0.47 -2.08 0.00 0.00 0.00 176.54 174.61 1xwf h VAL 160 N -0.39 0.00 -0.67 4.60 2.07 0.10 -2.38 116.25 119.58 1xwf h VAL 160 Ca -0.08 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.50 1xwf h VAL 160 Cb 1.32 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 1xwf h VAL 160 CO 0.10 0.00 -0.49 -0.74 0.02 0.00 0.00 177.57 176.46 1xwf h HIS 161 N -0.98 -1.54 -1.15 1.57 6.17 -1.27 0.51 115.15 118.45 1xwf h HIS 161 Ca -0.07 0.10 0.33 0.00 0.71 0.00 0.00 60.37 61.44 1xwf h HIS 161 Cb 0.84 0.76 -0.05 0.00 2.52 0.00 0.00 27.41 31.48 1xwf h HIS 161 CO -0.21 -0.35 0.90 -0.97 0.71 0.00 0.00 177.93 178.01 1xwf h ASN 162 N -0.12 0.00 0.04 3.26 -1.24 -1.39 0.62 115.58 116.75 1xwf h ASN 162 Ca 0.11 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.12 1xwf h ASN 162 Cb 0.40 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.45 1xwf h ASN 162 CO -0.69 0.00 -0.02 -0.07 -1.29 0.00 0.00 177.43 175.36 1xwf h LEU 163 N 0.00 -0.05 -0.84 0.34 3.38 0.50 -1.43 115.31 117.21 1xwf h LEU 163 Ca 0.55 -0.53 0.15 0.00 0.09 0.00 0.00 57.88 58.14 1xwf h LEU 163 Cb 2.33 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 43.00 1xwf h LEU 163 CO -0.01 0.53 0.41 1.88 0.09 0.00 0.00 178.44 181.35 1xwf h TYR 164 N -0.66 0.72 0.42 1.13 0.05 0.12 -0.42 116.97 118.33 1xwf h TYR 164 Ca -0.01 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 1xwf h TYR 164 Cb 0.58 -0.19 0.00 0.00 1.01 0.00 0.00 36.73 38.13 1xwf h TYR 164 CO 0.12 0.14 -0.20 -0.22 -1.05 0.00 0.00 178.16 176.95 1xwf h LYS 165 N 0.58 -0.54 -0.93 4.88 3.64 -1.00 0.50 116.57 123.70 1xwf h LYS 165 Ca 0.46 0.04 0.27 0.00 -1.27 0.00 0.00 60.65 60.15 1xwf h LYS 165 Cb 0.68 0.12 -0.16 0.00 -0.41 0.00 0.00 32.23 32.47 1xwf h LYS 165 CO -0.38 -0.36 0.25 0.52 -2.27 0.00 0.00 179.45 177.21 1xwf h MET 166 N -0.60 0.14 -0.27 1.90 2.86 -1.03 0.87 114.93 118.79 1xwf h MET 166 Ca -0.06 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1xwf h MET 166 Cb 0.43 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1xwf h MET 166 CO 0.09 0.09 0.07 1.98 1.06 0.00 0.00 176.91 180.21 1xwf h MET 167 N 0.15 0.43 0.00 1.72 1.85 -0.96 1.38 114.93 119.49 1xwf h MET 167 Ca 0.62 -0.10 -0.01 0.00 -0.61 0.00 0.00 59.70 59.59 1xwf h MET 167 Cb 1.33 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 33.30 1xwf h MET 167 CO -0.73 0.51 -0.07 0.00 -0.40 0.00 0.00 176.91 176.22 1xwf h ALA 168 N 0.90 1.74 -0.51 0.39 0.00 0.57 -1.93 119.26 120.43 1xwf h ALA 168 Ca 0.09 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 1xwf h ALA 168 Cb 0.27 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 1xwf h ALA 168 CO -0.00 0.08 0.12 0.09 0.00 0.00 0.00 179.25 179.55 1xwf n ASN 169 N -4.25 3.80 -3.53 0.00 3.02 0.12 -4.95 115.26 109.47 1xwf n ASN 169 Ca -0.03 -3.35 -0.26 0.00 -0.03 0.00 0.00 54.58 50.91 1xwf n ASN 169 Cb 0.15 -0.66 0.01 0.00 -0.61 0.00 0.00 39.78 38.67 1xwf n ASN 169 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwf n GLY 170 N -0.62 -0.50 0.13 7.41 0.00 -0.62 -4.86 105.19 106.14 1xwf n GLY 170 Ca 0.34 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 46.35 1xwf n GLY 170 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1xwf n ILE 171 N -4.35 1.16 -1.68 -0.61 5.41 0.46 -4.93 119.36 114.82 1xwf n ILE 171 Ca -0.01 -0.42 -0.48 0.00 1.00 0.00 0.00 62.75 62.84 1xwf n ILE 171 Cb 0.55 -1.29 -0.05 0.00 -0.71 0.00 0.00 39.64 38.14 1xwf n ILE 171 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1xwf n LEU 172 N -3.21 3.36 -0.24 1.39 7.94 -0.84 -4.81 117.00 120.59 1xwf n LEU 172 Ca -0.37 0.99 0.09 0.00 -1.11 0.00 0.00 56.01 55.62 1xwf n LEU 172 Cb 0.87 -1.38 0.15 0.00 0.53 0.00 0.00 43.42 43.59 1xwf n LEU 172 CO 0.18 -0.11 0.59 0.29 -1.11 0.00 0.00 177.39 177.23 1xwf n LYS 173 N 6.01 1.81 -3.79 1.96 5.02 -1.26 -4.81 118.16 123.11 1xwf n LYS 173 Ca 0.22 -2.51 -0.13 0.00 -2.02 0.00 0.00 58.31 53.87 1xwf n LYS 173 Cb 0.29 -1.51 -0.12 0.00 -0.02 0.00 0.00 35.03 33.67 1xwf n LYS 173 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xwf s VAL 174 N -2.64 0.00 0.41 -0.18 1.01 -1.26 -4.85 120.40 112.90 1xwf s VAL 174 Ca 0.31 -0.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.01 1xwf s VAL 174 Cb 0.26 -0.34 -0.08 0.00 0.00 0.00 0.00 36.38 36.22 1xwf s VAL 174 CO 0.04 -0.01 1.16 -2.16 0.00 0.00 0.00 175.10 174.13 1xwf s PRO 175 N 0.06 4.01 0.09 2.72 0.04 -1.26 -4.29 135.00 136.37 1xwf s PRO 175 Ca -0.01 1.80 0.05 0.00 0.04 0.00 0.00 61.00 62.88 1xwf s PRO 175 Cb -0.02 -2.62 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 1xwf s PRO 175 CO 0.00 -0.35 -0.12 0.00 0.04 0.00 0.00 177.00 176.58 1xwf s ALA 176 N -1.45 1.18 -0.23 8.56 0.00 0.84 -1.59 121.76 129.06 1xwf s ALA 176 Ca 0.58 -1.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.42 1xwf s ALA 176 Cb -0.30 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 22.82 1xwf s ALA 176 CO 0.37 0.06 -0.11 0.42 0.00 0.00 0.00 175.76 176.50 1xwf s ILE 177 N -1.93 2.54 -0.97 0.00 1.01 0.12 0.12 121.20 122.09 1xwf s ILE 177 Ca 0.03 -1.10 -0.24 0.00 0.00 0.00 0.00 60.65 59.34 1xwf s ILE 177 Cb -0.06 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 1xwf s ILE 177 CO 0.01 0.25 1.80 0.21 0.00 0.00 0.00 174.94 177.21 1xwf s ASN 178 N 1.28 5.59 0.34 3.58 2.47 0.62 -2.80 114.94 126.02 1xwf s ASN 178 Ca -0.00 -1.05 0.06 0.00 0.42 0.00 0.00 52.86 52.30 1xwf s ASN 178 Cb -0.16 -2.57 0.63 0.00 -1.45 0.00 0.00 41.25 37.70 1xwf s ASN 178 CO -0.07 -2.36 1.85 0.58 -3.72 0.00 0.00 177.10 173.38 1xwf h VAL 179 N 6.98 1.21 -0.15 -5.21 2.07 -1.38 -3.11 116.25 116.66 1xwf h VAL 179 Ca 0.15 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.78 1xwf h VAL 179 Cb 1.00 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1xwf h VAL 179 CO 1.28 0.30 0.14 -1.13 0.02 0.00 0.00 177.57 178.18 1xwf h ASN 180 N 0.35 0.00 -0.28 0.57 -1.24 -1.78 -2.75 115.58 110.46 1xwf h ASN 180 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.08 1xwf h ASN 180 Cb 0.45 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.50 1xwf h ASN 180 CO 0.03 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.64 1xwf n ASP 181 N -3.99 2.96 -4.85 1.15 10.43 -1.18 -3.35 116.55 117.72 1xwf n ASP 181 Ca 0.01 -2.36 -0.32 0.00 2.57 0.00 0.00 54.79 54.69 1xwf n ASP 181 Cb 0.26 -0.53 -0.03 0.00 1.84 0.00 0.00 41.12 42.67 1xwf n ASP 181 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1xwf s SER 182 N -0.46 6.55 -0.00 -2.24 0.01 -1.04 -4.90 113.70 111.61 1xwf s SER 182 Ca 0.25 1.49 -0.24 0.00 1.31 0.00 0.00 55.95 58.76 1xwf s SER 182 Cb 0.18 -2.48 -0.15 0.00 0.21 0.00 0.00 66.02 63.78 1xwf s SER 182 CO 0.09 -0.61 1.09 0.58 0.41 0.00 0.00 173.24 174.80 1xwf h VAL 183 N 0.74 0.50 0.00 3.43 2.07 -1.91 -0.14 116.25 120.94 1xwf h VAL 183 Ca -0.46 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1xwf h VAL 183 Cb 1.19 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1xwf h VAL 183 CO 0.62 0.09 0.10 0.35 0.02 0.00 0.00 177.57 178.75 1xwf n THR 184 N -5.16 1.43 -0.09 2.57 -2.24 -1.26 -1.22 114.28 108.31 1xwf n THR 184 Ca -0.09 0.56 -0.13 0.00 -2.27 0.00 0.00 64.05 62.12 1xwf n THR 184 Cb 0.28 -1.56 -0.08 0.00 -2.10 0.00 0.00 70.33 66.86 1xwf n THR 184 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1xwf n ASN 185 N -1.62 2.52 0.27 3.42 2.85 -1.16 -4.13 115.26 117.42 1xwf n ASN 185 Ca -0.00 -0.08 -0.16 0.00 -0.11 0.00 0.00 54.58 54.23 1xwf n ASN 185 Cb 0.11 -0.30 -0.08 0.00 1.24 0.00 0.00 39.78 40.74 1xwf n ASN 185 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1xwf h SER 186 N -0.04 -0.56 -0.40 1.20 0.87 -0.22 -1.55 113.55 112.85 1xwf h SER 186 Ca -0.41 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.16 1xwf h SER 186 Cb 1.62 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 63.69 1xwf h SER 186 CO -0.08 -0.35 0.21 0.11 -0.53 0.00 0.00 176.83 176.19 1xwf h LYS 187 N -0.73 0.41 0.28 2.24 1.79 -1.39 -0.20 116.57 118.97 1xwf h LYS 187 Ca -0.07 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.36 1xwf h LYS 187 Cb 0.54 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1xwf h LYS 187 CO 0.11 0.27 -0.13 0.74 -1.08 0.00 0.00 179.45 179.36 1xwf h PHE 188 N 0.43 -0.35 0.00 -1.35 -1.00 -1.72 0.52 116.94 113.47 1xwf h PHE 188 Ca 0.17 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.94 1xwf h PHE 188 Cb 0.06 0.12 -0.00 0.00 3.61 0.00 0.00 35.95 39.73 1xwf h PHE 188 CO -0.09 -0.04 -0.01 0.22 -1.61 0.00 0.00 178.31 176.78 1xwf h ASP 189 N -0.99 0.00 0.00 2.17 -0.00 -1.34 0.43 116.42 116.69 1xwf h ASP 189 Ca -0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 57.03 56.87 1xwf h ASP 189 Cb 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.78 1xwf h ASP 189 CO 0.06 0.01 -1.34 0.59 -0.00 0.00 0.00 179.24 178.56 1xwf n ASN 190 N -4.21 1.87 0.00 2.28 5.03 -0.09 -4.48 115.26 115.66 1xwf n ASN 190 Ca -0.03 0.32 0.00 0.00 0.87 0.00 0.00 54.58 55.74 1xwf n ASN 190 Cb 0.09 -0.73 0.00 0.00 -1.02 0.00 0.00 39.78 38.13 1xwf n ASN 190 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1xwf n LEU 191 N -4.33 0.26 0.08 3.41 0.00 0.17 -3.46 117.00 113.12 1xwf n LEU 191 Ca -0.23 0.53 0.04 0.00 0.00 0.00 0.00 56.01 56.35 1xwf n LEU 191 Cb 0.59 -0.45 0.46 0.00 0.00 0.00 0.00 43.42 44.02 1xwf n LEU 191 CO 0.15 -0.45 1.08 1.88 0.00 0.00 0.00 177.39 180.05 1xwf h TYR 192 N 0.00 0.35 0.69 1.96 0.05 -1.29 -1.45 116.97 117.28 1xwf h TYR 192 Ca 0.00 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 1xwf h TYR 192 Cb 0.00 -0.11 0.01 0.00 1.01 0.00 0.00 36.73 37.63 1xwf h TYR 192 CO 0.03 0.27 -0.33 0.78 -1.05 0.00 0.00 178.16 177.86 1xwf h GLY 193 N 0.47 -0.96 2.00 3.88 0.00 -0.32 -2.14 103.07 106.00 1xwf h GLY 193 Ca 0.09 0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.75 1xwf h GLY 193 CO -0.01 -0.35 -0.15 0.00 0.00 0.00 0.00 176.54 176.03 1xwf h ARG 195 N 0.00 0.91 0.00 0.00 2.43 -1.12 -0.75 114.38 115.86 1xwf h ARG 195 Ca -0.00 -0.31 -0.09 0.00 -0.81 0.00 0.00 59.98 58.77 1xwf h ARG 195 Cb 0.33 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1xwf h ARG 195 CO 0.02 0.96 -0.43 0.93 -1.51 0.00 0.00 179.97 179.94 1xwf h GLU 196 N 0.82 0.00 0.00 0.20 4.39 -0.93 -3.37 114.58 115.69 1xwf h GLU 196 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 1xwf h GLU 196 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1xwf h GLU 196 CO 0.04 0.43 -0.01 -1.13 -1.16 0.00 0.00 179.01 177.18 1xwf n SER 197 N -3.34 1.86 -0.01 1.42 3.41 -1.08 -4.56 113.62 111.32 1xwf n SER 197 Ca 0.01 -2.15 -0.11 0.00 -0.26 0.00 0.00 58.87 56.36 1xwf n SER 197 Cb 0.63 -0.10 -0.09 0.00 -0.26 0.00 0.00 64.21 64.39 1xwf n SER 197 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1xwf h LEU 198 N 0.00 -0.08 -1.36 1.04 5.85 -1.31 -3.07 115.31 116.38 1xwf h LEU 198 Ca 0.00 -0.53 -0.05 0.00 0.84 0.00 0.00 57.88 58.13 1xwf h LEU 198 Cb 0.67 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 1xwf h LEU 198 CO 0.00 0.60 -0.14 0.40 -0.34 0.00 0.00 178.44 178.96 1xwf h ILE 199 N -0.87 1.19 -0.13 4.05 5.03 -1.83 -2.29 117.51 122.65 1xwf h ILE 199 Ca -0.01 -0.83 -0.00 0.00 -0.12 0.00 0.00 64.86 63.90 1xwf h ILE 199 Cb 0.61 1.23 -0.01 0.00 -3.03 0.00 0.00 36.82 35.62 1xwf h ILE 199 CO 0.02 0.26 0.08 -0.78 -0.68 0.00 0.00 178.15 177.05 1xwf h ASP 200 N 0.24 0.16 -0.87 1.72 3.58 -1.80 0.73 116.42 120.16 1xwf h ASP 200 Ca 0.05 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1xwf h ASP 200 Cb 0.40 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.37 1xwf h ASP 200 CO 0.02 0.14 0.54 1.23 -2.88 0.00 0.00 179.24 178.30 1xwf h GLY 201 N 0.16 1.26 1.09 -0.78 0.00 -1.39 -1.67 103.07 101.73 1xwf h GLY 201 Ca 0.05 -0.51 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 1xwf h GLY 201 CO -0.01 0.50 -0.05 -2.22 0.00 0.00 0.00 176.54 174.76 1xwf h ILE 202 N 1.20 1.27 0.73 2.60 2.04 -0.82 -1.91 117.51 122.62 1xwf h ILE 202 Ca 0.31 -1.21 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 1xwf h ILE 202 Cb -0.07 0.87 0.01 0.00 -0.74 0.00 0.00 36.82 36.89 1xwf h ILE 202 CO -0.06 0.43 -0.35 0.11 0.00 0.00 0.00 178.15 178.28 1xwf h LYS 203 N 0.95 -0.95 -0.66 2.37 1.79 0.89 0.21 116.57 121.16 1xwf h LYS 203 Ca 0.16 0.06 0.14 0.00 -2.18 0.00 0.00 60.65 58.83 1xwf h LYS 203 Cb 0.61 0.22 -0.10 0.00 -1.58 0.00 0.00 32.23 31.38 1xwf h LYS 203 CO 0.04 -0.63 0.12 0.00 -1.08 0.00 0.00 179.45 177.89 1xwf h ARG 204 N -1.06 0.22 0.55 3.15 3.08 -1.39 5.39 114.38 124.33 1xwf h ARG 204 Ca -0.10 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 1xwf h ARG 204 Cb 0.76 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.76 1xwf h ARG 204 CO 0.17 0.15 -0.27 0.00 -1.07 0.00 0.00 179.97 178.95 1xwf h ALA 205 N 1.56 -1.09 0.00 0.04 0.00 -1.25 -3.38 119.26 115.14 1xwf h ALA 205 Ca 0.36 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1xwf h ALA 205 Cb 0.58 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1xwf h ALA 205 CO -0.48 -1.03 -2.01 0.25 0.00 0.00 0.00 179.25 175.98 1xwf n THR 206 N -4.18 0.35 -1.78 0.00 -2.24 0.73 -4.96 114.28 102.19 1xwf n THR 206 Ca -0.09 -0.58 -0.21 0.00 -2.27 0.00 0.00 64.05 60.90 1xwf n THR 206 Cb 0.29 -0.13 -0.07 0.00 -2.10 0.00 0.00 70.33 68.32 1xwf n THR 206 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1xwf n ASP 207 N -2.40 -5.58 -4.84 3.42 8.00 1.75 -4.94 116.55 111.97 1xwf n ASP 207 Ca -0.10 0.40 -0.30 0.00 0.71 0.00 0.00 54.79 55.50 1xwf n ASP 207 Cb 0.70 -4.86 0.07 0.00 -0.02 0.00 0.00 41.12 37.00 1xwf n ASP 207 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xwf s VAL 208 N -2.82 3.42 -0.12 2.53 0.11 -1.26 -5.02 120.40 117.23 1xwf s VAL 208 Ca 0.00 0.46 -0.20 0.00 -2.93 0.00 0.00 61.98 59.31 1xwf s VAL 208 Cb 0.00 -3.30 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 1xwf s VAL 208 CO 0.00 -0.60 0.54 -0.32 -3.33 0.00 0.00 175.10 171.39 1xwf s MET 209 N -5.21 4.34 -0.06 1.54 1.75 -1.26 -4.88 119.30 115.53 1xwf s MET 209 Ca 0.59 0.56 -0.19 0.00 -1.25 0.00 0.00 55.69 55.40 1xwf s MET 209 Cb -0.13 -3.46 -0.31 0.00 2.84 0.00 0.00 34.83 33.78 1xwf s MET 209 CO 0.53 0.09 0.80 0.82 -0.65 0.00 0.00 175.02 176.61 1xwf h ILE 210 N 4.79 1.33 -4.18 10.11 1.08 -1.95 -3.44 117.51 125.24 1xwf h ILE 210 Ca -0.40 -2.52 -0.54 0.00 -0.39 0.00 0.00 64.86 61.01 1xwf h ILE 210 Cb 1.18 3.03 0.18 0.00 -3.07 0.00 0.00 36.82 38.13 1xwf h ILE 210 CO 0.76 0.73 0.39 0.00 -0.69 0.00 0.00 178.15 179.33 1xwf s ALA 211 N -2.46 1.98 0.00 1.87 0.00 -1.23 -2.22 121.76 119.69 1xwf s ALA 211 Ca -0.15 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.77 1xwf s ALA 211 Cb 0.02 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1xwf s ALA 211 CO 0.83 -2.12 0.00 0.41 0.00 0.00 0.00 175.76 174.88 1xwf n GLY 212 N 0.64 2.19 3.92 0.00 0.00 -0.96 -4.81 105.19 106.18 1xwf n GLY 212 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1xwf n GLY 212 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwf s LYS 213 N 0.00 3.56 -0.40 1.61 1.02 -0.94 -4.86 119.74 119.73 1xwf s LYS 213 Ca 0.00 -0.18 -0.16 0.00 0.02 0.00 0.00 55.97 55.64 1xwf s LYS 213 Cb 0.00 -2.70 0.01 0.00 -0.52 0.00 0.00 37.83 34.62 1xwf s LYS 213 CO 0.00 0.25 0.38 0.08 -0.92 0.00 0.00 175.35 175.14 1xwf s VAL 214 N -2.09 5.15 -0.17 3.17 1.01 -1.26 -0.03 120.40 126.18 1xwf s VAL 214 Ca 0.41 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 1xwf s VAL 214 Cb -0.10 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1xwf s VAL 214 CO 0.31 -0.30 0.01 0.00 0.00 0.00 0.00 175.10 175.12 1xwf s ALA 215 N 1.99 3.17 -0.24 5.51 0.00 -0.48 0.10 121.76 131.82 1xwf s ALA 215 Ca 0.10 -0.80 -0.09 0.00 0.00 0.00 0.00 51.96 51.17 1xwf s ALA 215 Cb -0.17 -1.72 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1xwf s ALA 215 CO 0.12 0.17 0.12 0.08 0.00 0.00 0.00 175.76 176.25 1xwf s VAL 216 N 0.41 4.89 -0.24 0.00 1.01 -0.05 -0.78 120.40 125.64 1xwf s VAL 216 Ca -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 61.99 1xwf s VAL 216 Cb -0.13 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 33.00 1xwf s VAL 216 CO 0.02 0.35 -0.09 -0.69 0.00 0.00 0.00 175.10 174.69 1xwf s VAL 217 N 1.24 2.62 -0.38 2.92 1.01 0.36 -0.90 120.40 127.26 1xwf s VAL 217 Ca 0.06 -1.16 -0.21 0.00 0.00 0.00 0.00 61.98 60.67 1xwf s VAL 217 Cb -0.14 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.90 1xwf s VAL 217 CO 0.05 0.18 0.65 0.00 0.00 0.00 0.00 175.10 175.98 1xwf s ALA 218 N 1.27 3.42 0.00 5.51 0.00 -0.47 -2.10 121.76 129.39 1xwf s ALA 218 Ca -0.01 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1xwf s ALA 218 Cb -0.17 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1xwf s ALA 218 CO -0.06 -1.49 0.00 0.41 0.00 0.00 0.00 175.76 174.63 1xwf n GLY 219 N 4.77 2.40 1.78 0.00 0.00 0.08 -1.39 105.19 112.84 1xwf n GLY 219 Ca -0.01 -1.19 -0.18 0.00 0.00 0.00 0.00 46.02 44.64 1xwf n GLY 219 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xwf n TYR 220 N 1.60 2.24 0.00 1.61 9.36 -1.26 -4.13 117.16 126.58 1xwf n TYR 220 Ca 0.00 -2.06 0.00 0.00 3.32 0.00 0.00 57.90 59.16 1xwf n TYR 220 Cb 0.00 -0.78 0.00 0.00 -0.63 0.00 0.00 39.34 37.93 1xwf n TYR 220 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xwf n GLY 221 N -1.03 -0.68 0.18 2.98 0.00 -1.26 -4.43 105.19 100.95 1xwf n GLY 221 Ca 0.47 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 1xwf n GLY 221 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xwf h ASP 222 N 0.00 -0.31 -0.21 1.61 3.32 -1.94 0.11 116.42 119.00 1xwf h ASP 222 Ca 0.00 -0.19 0.04 0.00 0.02 0.00 0.00 57.03 56.90 1xwf h ASP 222 Cb 0.00 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 1xwf h ASP 222 CO 0.00 0.04 -0.02 0.58 -1.72 0.00 0.00 179.24 178.12 1xwf h VAL 223 N -0.70 0.83 -0.91 -1.35 2.07 -1.89 -0.75 116.25 113.55 1xwf h VAL 223 Ca -0.04 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.50 1xwf h VAL 223 Cb 0.48 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1xwf h VAL 223 CO 0.06 0.01 0.60 1.23 0.02 0.00 0.00 177.57 179.49 1xwf h GLY 224 N 0.04 1.32 0.98 2.17 0.00 -1.70 -1.05 103.07 104.83 1xwf h GLY 224 Ca 0.10 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1xwf h GLY 224 CO -0.18 0.38 0.22 0.50 0.00 0.00 0.00 176.54 177.46 1xwf h LYS 225 N 1.14 0.48 -0.52 4.80 1.57 0.26 0.50 116.57 124.79 1xwf h LYS 225 Ca 0.37 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 59.01 1xwf h LYS 225 Cb 0.03 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1xwf h LYS 225 CO -0.11 0.36 -0.03 0.78 -0.57 0.00 0.00 179.45 179.88 1xwf h GLY 226 N 0.46 1.01 1.15 3.86 0.00 -0.53 -2.00 103.07 107.03 1xwf h GLY 226 Ca 0.13 -0.77 -0.11 0.00 0.00 0.00 0.00 47.33 46.58 1xwf h GLY 226 CO -0.02 0.71 -0.10 0.00 0.00 0.00 0.00 176.54 177.12 1xwf h ALA 228 N 0.98 1.45 0.08 0.00 0.00 -0.73 0.37 119.26 121.42 1xwf h ALA 228 Ca 0.14 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.56 1xwf h ALA 228 Cb 0.65 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1xwf h ALA 228 CO 0.05 0.38 -1.20 0.37 0.00 0.00 0.00 179.25 178.85 1xwf h GLN 229 N 0.22 0.17 0.01 0.00 4.15 -1.18 -2.77 115.11 115.71 1xwf h GLN 229 Ca 0.04 -0.29 -0.00 0.00 0.77 0.00 0.00 58.65 59.17 1xwf h GLN 229 Cb 0.43 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.23 1xwf h GLN 229 CO 0.03 1.12 -0.00 0.00 -1.93 0.00 0.00 178.83 178.04 1xwf h ALA 230 N 0.73 -0.01 -0.51 3.38 0.00 -0.26 -2.14 119.26 120.44 1xwf h ALA 230 Ca -0.10 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1xwf h ALA 230 Cb 1.91 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.68 1xwf h ALA 230 CO 0.17 -0.29 0.09 -0.07 0.00 0.00 0.00 179.25 179.15 1xwf h LEU 231 N -0.45 0.76 -0.52 0.00 3.38 -1.06 -2.90 115.31 114.52 1xwf h LEU 231 Ca -0.00 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.65 1xwf h LEU 231 Cb 0.44 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1xwf h LEU 231 CO 0.00 0.77 -0.63 -0.09 0.09 0.00 0.00 178.44 178.59 1xwf h ARG 232 N 0.77 0.41 0.00 1.13 2.43 -1.51 -2.62 114.38 114.99 1xwf h ARG 232 Ca 0.16 -0.29 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1xwf h ARG 232 Cb 0.34 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1xwf h ARG 232 CO 0.01 0.90 -0.01 0.78 -1.51 0.00 0.00 179.97 180.14 1xwf h GLY 233 N 1.25 0.00 1.15 2.80 0.00 -1.17 -1.64 103.07 105.45 1xwf h GLY 233 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1xwf h GLY 233 CO 0.11 0.00 -0.66 0.74 0.00 0.00 0.00 176.54 176.72 1xwf h PHE 234 N 0.00 0.00 0.00 5.60 0.04 -1.41 -3.48 116.94 117.69 1xwf h PHE 234 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1xwf h PHE 234 Cb 0.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.25 1xwf h PHE 234 CO 0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1xwf n GLY 235 N 1.32 0.86 3.85 -1.45 0.00 -0.62 -3.58 105.19 105.58 1xwf n GLY 235 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1xwf n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwf s ALA 236 N -2.00 2.97 -0.40 4.61 0.00 -1.07 -2.25 121.76 123.62 1xwf s ALA 236 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.81 1xwf s ALA 236 Cb 0.00 -3.11 0.03 0.00 0.00 0.00 0.00 23.12 20.04 1xwf s ALA 236 CO 0.00 -0.83 0.25 0.50 0.00 0.00 0.00 175.76 175.68 1xwf s ARG 237 N -5.08 2.87 0.05 0.00 3.52 0.96 -4.49 118.95 116.77 1xwf s ARG 237 Ca 0.56 -1.09 -0.19 0.00 -0.13 0.00 0.00 55.73 54.89 1xwf s ARG 237 Cb -0.12 -3.85 -0.06 0.00 -1.56 0.00 0.00 34.95 29.36 1xwf s ARG 237 CO 0.53 -0.75 0.54 0.08 -0.81 0.00 0.00 175.30 174.90 1xwf s VAL 238 N 1.60 4.82 -0.01 7.11 1.01 -1.26 -1.38 120.40 132.30 1xwf s VAL 238 Ca 0.03 1.15 0.07 0.00 0.00 0.00 0.00 61.98 63.23 1xwf s VAL 238 Cb -0.19 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 1xwf s VAL 238 CO 0.08 0.54 -0.23 -0.63 0.00 0.00 0.00 175.10 174.86 1xwf s ILE 239 N -0.95 1.80 0.07 2.22 1.01 0.04 -3.73 121.20 121.66 1xwf s ILE 239 Ca 0.28 -1.00 0.08 0.00 0.00 0.00 0.00 60.65 60.01 1xwf s ILE 239 Cb -0.19 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.76 1xwf s ILE 239 CO 0.18 0.48 -0.22 -0.63 0.00 0.00 0.00 174.94 174.75 1xwf s ILE 240 N -0.56 1.80 0.03 2.92 1.01 0.13 -0.49 121.20 126.05 1xwf s ILE 240 Ca 0.09 -1.36 0.08 0.00 0.00 0.00 0.00 60.65 59.45 1xwf s ILE 240 Cb -0.09 -1.58 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 1xwf s ILE 240 CO -0.01 0.16 -0.21 0.42 0.00 0.00 0.00 174.94 175.30 1xwf s THR 241 N -0.91 2.53 0.03 2.92 -4.23 -0.89 -1.20 115.64 113.89 1xwf s THR 241 Ca 0.08 -1.23 -0.20 0.00 -1.18 0.00 0.00 61.69 59.17 1xwf s THR 241 Cb -0.09 -2.02 0.04 0.00 1.34 0.00 0.00 72.50 71.76 1xwf s THR 241 CO 0.03 0.38 0.45 -1.61 -0.54 0.00 0.00 174.62 173.32 1xwf s GLU 242 N -1.28 0.94 -0.02 3.99 0.41 -1.26 -0.74 118.70 120.74 1xwf s GLU 242 Ca 0.13 -0.28 0.14 0.00 -0.41 0.00 0.00 54.97 54.55 1xwf s GLU 242 Cb -0.10 0.42 -0.21 0.00 -1.78 0.00 0.00 34.13 32.46 1xwf s GLU 242 CO 0.03 -0.32 0.30 0.44 -0.49 0.00 0.00 175.26 175.22 1xwf n ILE 243 N 0.56 0.02 -3.34 -1.63 -5.35 -1.26 -4.93 119.36 103.43 1xwf n ILE 243 Ca -0.19 -0.32 -0.40 0.00 -0.27 0.00 0.00 62.75 61.58 1xwf n ILE 243 Cb 0.59 0.17 -0.09 0.00 -1.74 0.00 0.00 39.64 38.58 1xwf n ILE 243 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1xwf s ASP 244 N -3.60 6.27 0.57 7.28 3.68 -1.26 -4.98 116.67 124.64 1xwf s ASP 244 Ca -0.05 0.17 0.38 0.00 2.13 0.00 0.00 52.55 55.18 1xwf s ASP 244 Cb 0.09 -2.23 1.99 0.00 -1.45 0.00 0.00 42.92 41.31 1xwf s ASP 244 CO 0.57 -0.28 2.16 1.55 0.13 0.00 0.00 175.17 179.30 1xwf h PRO 245 N 8.26 0.00 0.14 4.34 0.13 -1.99 -1.87 132.00 141.01 1xwf h PRO 245 Ca -0.30 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.52 1xwf h PRO 245 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1xwf h PRO 245 CO 0.68 0.00 -1.47 0.82 -0.23 0.00 0.00 178.00 177.80 1xwf h ILE 246 N 0.00 1.24 -0.30 -3.56 2.04 -1.99 -2.76 117.51 112.18 1xwf h ILE 246 Ca 0.00 -2.83 -0.17 0.00 1.00 0.00 0.00 64.86 62.86 1xwf h ILE 246 Cb 0.09 2.84 -0.00 0.00 -0.74 0.00 0.00 36.82 39.00 1xwf h ILE 246 CO 0.00 0.84 -0.48 0.78 0.00 0.00 0.00 178.15 179.29 1xwf h ASN 247 N 0.08 0.94 -0.36 1.72 2.35 -1.86 -1.31 115.58 117.14 1xwf h ASN 247 Ca -0.22 -0.52 -0.04 0.00 -0.55 0.00 0.00 56.30 54.97 1xwf h ASN 247 Cb 2.03 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 40.11 1xwf h ASN 247 CO 0.19 1.27 0.11 0.00 -1.65 0.00 0.00 177.43 177.34 1xwf h ALA 248 N 0.69 1.38 -0.20 -0.83 0.00 -1.45 0.91 119.26 119.76 1xwf h ALA 248 Ca 0.02 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1xwf h ALA 248 Cb 1.08 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1xwf h ALA 248 CO 0.11 0.45 -0.39 1.25 0.00 0.00 0.00 179.25 180.67 1xwf h LEU 249 N 0.63 0.70 -0.34 0.00 5.85 -1.37 -1.92 115.31 118.85 1xwf h LEU 249 Ca 0.14 -0.54 0.08 0.00 0.84 0.00 0.00 57.88 58.40 1xwf h LEU 249 Cb 0.24 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 1xwf h LEU 249 CO -0.00 1.11 -0.22 1.56 -0.34 0.00 0.00 178.44 180.54 1xwf h GLN 250 N 0.31 -0.17 0.56 1.25 4.20 -0.40 -1.09 115.11 119.76 1xwf h GLN 250 Ca 0.01 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 1xwf h GLN 250 Cb 0.99 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 1xwf h GLN 250 CO 0.09 -0.11 -0.50 0.00 -0.67 0.00 0.00 178.83 177.64 1xwf h ALA 251 N 0.99 -1.18 -0.70 3.87 0.00 -0.71 -2.45 119.26 119.08 1xwf h ALA 251 Ca 0.17 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 55.08 1xwf h ALA 251 Cb 0.44 0.70 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1xwf h ALA 251 CO -0.45 -1.19 0.69 0.00 0.00 0.00 0.00 179.25 178.30 1xwf h ALA 252 N -0.99 2.51 -0.00 0.00 0.00 -0.84 0.70 119.26 120.63 1xwf h ALA 252 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xwf h ALA 252 Cb 0.88 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xwf h ALA 252 CO -0.03 -1.05 -0.03 -1.33 0.00 0.00 0.00 179.25 176.81 1xwf n MET 253 N -3.73 0.76 -0.09 0.00 2.00 -0.46 -2.68 117.12 112.92 1xwf n MET 253 Ca 0.14 -0.13 0.05 0.00 0.00 0.00 0.00 57.70 57.76 1xwf n MET 253 Cb 0.93 -1.50 0.10 0.00 0.00 0.00 0.00 33.22 32.76 1xwf n MET 253 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1xwf n GLU 254 N -1.01 1.82 -0.07 0.03 -0.58 0.24 -4.99 120.64 116.09 1xwf n GLU 254 Ca 0.18 -1.62 0.00 0.00 -0.42 0.00 0.00 57.16 55.30 1xwf n GLU 254 Cb 0.22 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 1xwf n GLU 254 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xwf n GLY 255 N 0.50 0.71 3.83 0.62 0.00 -1.09 -5.06 105.19 104.69 1xwf n GLY 255 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 1xwf n GLY 255 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xwf s TYR 256 N -2.32 3.08 -0.18 1.61 2.02 -1.22 -5.00 117.35 115.34 1xwf s TYR 256 Ca 0.00 1.22 -0.06 0.00 -0.37 0.00 0.00 57.07 57.85 1xwf s TYR 256 Cb 0.00 -3.01 -0.04 0.00 -0.40 0.00 0.00 41.96 38.52 1xwf s TYR 256 CO 0.00 -1.41 0.04 -2.00 -1.57 0.00 0.00 175.55 170.61 1xwf s GLU 257 N -5.17 3.87 -0.15 -0.62 2.12 -1.24 -4.25 118.70 113.25 1xwf s GLU 257 Ca 0.59 -0.40 -0.04 0.00 0.36 0.00 0.00 54.97 55.48 1xwf s GLU 257 Cb -0.13 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.08 1xwf s GLU 257 CO 0.54 0.22 -0.02 0.08 -0.54 0.00 0.00 175.26 175.54 1xwf s VAL 258 N 0.48 4.04 0.33 3.70 1.01 -1.25 0.20 120.40 128.90 1xwf s VAL 258 Ca 0.01 -0.31 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 1xwf s VAL 258 Cb -0.13 -2.77 0.03 0.00 0.00 0.00 0.00 36.38 33.51 1xwf s VAL 258 CO 0.01 0.50 0.58 1.07 0.00 0.00 0.00 175.10 177.27 1xwf n THR 259 N 3.39 0.00 -2.77 3.92 5.66 -0.34 -4.95 114.28 119.19 1xwf n THR 259 Ca -0.17 -1.11 -0.30 0.00 -3.05 0.00 0.00 64.05 59.42 1xwf n THR 259 Cb 0.52 0.89 -0.02 0.00 -1.55 0.00 0.00 70.33 70.17 1xwf n THR 259 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1xwf s THR 260 N -2.43 4.81 0.31 1.09 -4.23 -1.26 -4.02 115.64 109.91 1xwf s THR 260 Ca 0.18 0.53 -0.00 0.00 -1.18 0.00 0.00 61.69 61.22 1xwf s THR 260 Cb -0.03 -3.77 0.22 0.00 1.34 0.00 0.00 72.50 70.27 1xwf s THR 260 CO 0.13 -0.61 1.94 -0.03 -0.54 0.00 0.00 174.62 175.50 1xwf h MET 261 N 0.97 0.90 0.20 3.99 4.05 -1.95 0.82 114.93 123.92 1xwf h MET 261 Ca -0.47 -0.10 0.01 0.00 -0.28 0.00 0.00 59.70 58.86 1xwf h MET 261 Cb 1.19 -0.18 -0.04 0.00 -0.80 0.00 0.00 31.60 31.77 1xwf h MET 261 CO 0.63 0.66 -0.52 -0.44 0.23 0.00 0.00 176.91 177.47 1xwf h ASP 262 N 0.90 -1.54 -0.50 1.39 5.19 -1.94 1.20 116.42 121.12 1xwf h ASP 262 Ca 0.23 0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.78 1xwf h ASP 262 Cb 0.03 0.56 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 1xwf h ASP 262 CO -0.04 -0.58 0.24 -0.33 -3.12 0.00 0.00 179.24 175.41 1xwf h GLU 263 N -0.81 0.72 -0.89 3.56 4.39 -1.92 -3.19 114.58 116.44 1xwf h GLU 263 Ca -0.02 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.58 1xwf h GLU 263 Cb 0.79 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 1xwf h GLU 263 CO -0.24 0.60 0.59 0.00 -1.16 0.00 0.00 179.01 178.80 1xwf h ALA 264 N 1.08 1.12 0.00 3.43 0.00 -0.19 -2.83 119.26 121.88 1xwf h ALA 264 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xwf h ALA 264 Cb 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1xwf h ALA 264 CO -0.02 0.53 0.23 0.00 0.00 0.00 0.00 179.25 179.98 1xwf h LYS 266 N 0.00 0.38 0.07 0.00 1.57 -1.66 -3.24 116.57 113.69 1xwf h LYS 266 Ca 0.00 -0.65 -0.14 0.00 -1.87 0.00 0.00 60.65 57.99 1xwf h LYS 266 Cb 0.45 0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1xwf h LYS 266 CO 0.00 1.29 -0.68 0.93 -0.57 0.00 0.00 179.45 180.42 1xwf h GLU 267 N 0.10 0.15 -6.35 3.15 5.08 -1.36 -3.41 114.58 111.94 1xwf h GLU 267 Ca -0.22 -0.25 -0.60 0.00 -1.00 0.00 0.00 59.36 57.29 1xwf h GLU 267 Cb 2.07 0.09 0.16 0.00 0.50 0.00 0.00 28.75 31.57 1xwf h GLU 267 CO 0.22 1.12 -0.47 0.41 -1.00 0.00 0.00 179.01 179.29 1xwf n GLY 268 N 1.63 -1.65 0.02 -3.84 0.00 -0.87 -4.80 105.19 95.68 1xwf n GLY 268 Ca -0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.79 1xwf n GLY 268 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xwf n ASN 269 N 1.15 3.88 -4.17 1.61 3.02 0.29 -4.40 115.26 116.64 1xwf n ASN 269 Ca 0.11 -0.01 -0.21 0.00 -0.03 0.00 0.00 54.58 54.44 1xwf n ASN 269 Cb 0.43 0.35 -0.13 0.00 -0.61 0.00 0.00 39.78 39.82 1xwf n ASN 269 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xwf s ILE 270 N -2.10 1.22 -0.12 2.41 1.01 -1.07 -1.63 121.20 120.92 1xwf s ILE 270 Ca -0.04 -1.08 -0.02 0.00 0.00 0.00 0.00 60.65 59.51 1xwf s ILE 270 Cb 0.01 -1.10 0.04 0.00 0.01 0.00 0.00 42.46 41.42 1xwf s ILE 270 CO 0.14 0.01 0.02 -0.36 0.00 0.00 0.00 174.94 174.76 1xwf s PHE 271 N -0.90 0.72 -0.13 3.97 0.40 -0.38 -0.87 117.98 120.79 1xwf s PHE 271 Ca 0.02 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.97 1xwf s PHE 271 Cb -0.08 -0.85 -0.01 0.00 0.51 0.00 0.00 43.02 42.58 1xwf s PHE 271 CO 0.02 -0.43 -0.15 0.08 0.70 0.00 0.00 175.22 175.44 1xwf s VAL 272 N 1.96 2.89 -0.25 -0.44 1.01 -0.08 -1.93 120.40 123.55 1xwf s VAL 272 Ca 0.03 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1xwf s VAL 272 Cb -0.14 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1xwf s VAL 272 CO -0.06 0.53 0.07 0.42 0.00 0.00 0.00 175.10 176.06 1xwf s THR 273 N 0.37 4.29 -0.31 3.92 -4.23 -1.17 -1.36 115.64 117.15 1xwf s THR 273 Ca -0.12 -0.22 0.08 0.00 -1.18 0.00 0.00 61.69 60.25 1xwf s THR 273 Cb -0.16 -3.03 0.51 0.00 1.34 0.00 0.00 72.50 71.16 1xwf s THR 273 CO 0.06 0.31 1.48 0.35 -0.54 0.00 0.00 174.62 176.28 1xwf n THR 274 N 4.92 2.61 -4.02 3.99 -2.24 -0.48 -1.47 114.28 117.59 1xwf n THR 274 Ca -0.16 -2.87 -0.25 0.00 -2.27 0.00 0.00 64.05 58.50 1xwf n THR 274 Cb 0.51 -0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.28 1xwf n THR 274 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xwf s THR 275 N -3.41 2.17 -0.23 4.28 2.01 -1.26 -4.59 115.64 114.61 1xwf s THR 275 Ca 0.46 -1.61 0.14 0.00 0.31 0.00 0.00 61.69 60.99 1xwf s THR 275 Cb 0.41 -2.78 0.62 0.00 0.01 0.00 0.00 72.50 70.76 1xwf s THR 275 CO -0.00 0.00 1.56 0.61 -0.69 0.00 0.00 174.62 176.10 1xwf n GLY 276 N -1.40 3.91 3.94 4.40 0.00 -1.26 -3.84 105.19 110.94 1xwf n GLY 276 Ca -0.01 -1.04 -0.20 0.00 0.00 0.00 0.00 46.02 44.77 1xwf n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwf s VAL 278 N -2.27 2.66 -1.20 0.00 -7.23 -1.26 -4.19 120.40 106.91 1xwf s VAL 278 Ca 0.45 -2.16 -0.01 0.00 -1.81 0.00 0.00 61.98 58.45 1xwf s VAL 278 Cb -0.08 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 1xwf s VAL 278 CO 0.29 -0.31 0.94 0.47 -0.31 0.00 0.00 175.10 176.19 1xwf n ASP 279 N -0.79 -2.50 -0.01 4.85 8.00 -1.20 -4.94 116.55 119.96 1xwf n ASP 279 Ca -0.05 -0.67 -0.20 0.00 0.71 0.00 0.00 54.79 54.58 1xwf n ASP 279 Cb 0.61 -4.95 -0.14 0.00 -0.02 0.00 0.00 41.12 36.62 1xwf n ASP 279 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1xwf h ILE 280 N -1.80 1.24 -3.55 0.53 1.08 -1.58 -3.44 117.51 109.99 1xwf h ILE 280 Ca -0.60 -2.39 -0.66 0.00 -0.39 0.00 0.00 64.86 60.83 1xwf h ILE 280 Cb 1.34 2.86 -0.36 0.00 -3.07 0.00 0.00 36.82 37.58 1xwf h ILE 280 CO 0.50 0.64 -0.82 -0.63 -0.69 0.00 0.00 178.15 177.15 1xwf s ILE 281 N -2.41 2.01 0.47 -0.67 1.01 -1.06 -4.97 121.20 115.59 1xwf s ILE 281 Ca -0.20 -1.31 0.02 0.00 0.00 0.00 0.00 60.65 59.16 1xwf s ILE 281 Cb 0.03 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.48 1xwf s ILE 281 CO 0.74 0.16 0.15 0.18 0.00 0.00 0.00 174.94 176.17 1xwf n LEU 282 N 4.54 0.00 -0.33 2.97 7.99 -1.26 -1.67 117.00 129.24 1xwf n LEU 282 Ca -0.16 -2.77 0.10 0.00 -0.01 0.00 0.00 56.01 53.17 1xwf n LEU 282 Cb 0.45 0.18 0.27 0.00 -0.11 0.00 0.00 43.42 44.21 1xwf n LEU 282 CO 0.22 -0.47 1.16 1.23 -1.51 0.00 0.00 177.39 178.02 1xwf h GLY 283 N 0.90 1.60 2.00 -0.72 0.00 -1.97 0.68 103.07 105.56 1xwf h GLY 283 Ca -0.36 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1xwf h GLY 283 CO 0.58 -0.03 0.00 -0.96 0.00 0.00 0.00 176.54 176.13 1xwf n ARG 284 N -4.80 0.04 -0.12 4.80 1.85 -1.26 -1.48 116.66 115.69 1xwf n ARG 284 Ca 0.20 0.41 -0.26 0.00 -1.00 0.00 0.00 57.85 57.21 1xwf n ARG 284 Cb 0.49 -1.60 -0.11 0.00 -1.05 0.00 0.00 32.46 30.20 1xwf n ARG 284 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1xwf n HIS 285 N -1.68 0.48 -0.26 2.89 8.25 0.14 -4.25 115.22 120.79 1xwf n HIS 285 Ca 0.01 0.21 0.06 0.00 -0.26 0.00 0.00 57.72 57.74 1xwf n HIS 285 Cb 0.10 -1.04 0.19 0.00 1.12 0.00 0.00 29.99 30.36 1xwf n HIS 285 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1xwf h PHE 286 N -1.00 0.53 0.00 4.41 0.04 -0.87 0.31 116.94 120.36 1xwf h PHE 286 Ca -0.53 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.28 1xwf h PHE 286 Cb 1.46 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.49 1xwf h PHE 286 CO -0.01 0.06 0.00 0.39 -0.60 0.00 0.00 178.31 178.15 1xwf n GLU 287 N -5.00 0.60 -0.02 1.51 1.02 -0.55 -2.46 120.64 115.74 1xwf n GLU 287 Ca 0.15 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.28 1xwf n GLU 287 Cb 0.43 -1.30 -0.05 0.00 -0.02 0.00 0.00 31.44 30.50 1xwf n GLU 287 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1xwf n GLN 288 N -0.80 1.91 -1.70 3.49 1.13 0.10 -5.05 117.38 116.46 1xwf n GLN 288 Ca 0.09 -0.03 -0.41 0.00 -1.94 0.00 0.00 57.00 54.71 1xwf n GLN 288 Cb 0.04 -1.16 0.01 0.00 0.11 0.00 0.00 30.24 29.24 1xwf n GLN 288 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1xwf n MET 289 N -2.03 1.94 -1.34 -1.09 2.81 -0.75 -4.58 117.12 112.08 1xwf n MET 289 Ca -0.07 0.69 -0.33 0.00 -1.81 0.00 0.00 57.70 56.18 1xwf n MET 289 Cb 0.49 -2.38 0.10 0.00 -0.71 0.00 0.00 33.22 30.72 1xwf n MET 289 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1xwf s LYS 290 N -2.18 2.09 0.28 0.03 1.02 -1.26 -4.90 119.74 114.82 1xwf s LYS 290 Ca 0.60 1.56 -0.30 0.00 0.02 0.00 0.00 55.97 57.86 1xwf s LYS 290 Cb -0.51 -1.85 -0.13 0.00 -0.52 0.00 0.00 37.83 34.82 1xwf s LYS 290 CO 0.58 -1.83 1.35 -3.47 -0.92 0.00 0.00 175.35 171.06 1xwf n ASP 291 N -3.04 2.70 -2.13 2.83 2.03 -1.26 -2.35 116.55 115.32 1xwf n ASP 291 Ca 0.12 1.17 -0.18 0.00 0.52 0.00 0.00 54.79 56.42 1xwf n ASP 291 Cb 0.51 -1.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.47 1xwf n ASP 291 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1xwf n ASP 292 N 1.59 -5.17 -4.77 1.67 8.00 -0.32 -4.88 116.55 112.67 1xwf n ASP 292 Ca 0.09 -0.08 -0.40 0.00 0.71 0.00 0.00 54.79 55.11 1xwf n ASP 292 Cb 0.33 -4.19 -0.01 0.00 -0.02 0.00 0.00 41.12 37.23 1xwf n ASP 292 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xwf s ALA 293 N -2.92 3.38 -0.35 2.24 0.00 -0.99 -4.64 121.76 118.47 1xwf s ALA 293 Ca 0.07 1.29 -0.11 0.00 0.00 0.00 0.00 51.96 53.21 1xwf s ALA 293 Cb -0.03 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1xwf s ALA 293 CO 0.08 -0.80 0.20 0.42 0.00 0.00 0.00 175.76 175.66 1xwf s ILE 294 N -1.20 4.73 -0.15 0.00 1.01 -0.65 -1.30 121.20 123.64 1xwf s ILE 294 Ca 0.54 -0.63 -0.06 0.00 0.00 0.00 0.00 60.65 60.50 1xwf s ILE 294 Cb -0.40 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1xwf s ILE 294 CO 0.52 -0.12 0.04 -0.69 0.00 0.00 0.00 174.94 174.69 1xwf s VAL 295 N 1.60 4.59 0.11 2.92 1.01 0.63 -1.25 120.40 130.01 1xwf s VAL 295 Ca 0.04 -0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 1xwf s VAL 295 Cb -0.18 -3.03 0.06 0.00 0.00 0.00 0.00 36.38 33.23 1xwf s VAL 295 CO 0.07 0.51 0.53 0.00 0.00 0.00 0.00 175.10 176.21 1xwf s ASN 297 N -2.44 1.57 0.00 0.00 2.47 -1.26 -3.04 114.94 112.24 1xwf s ASN 297 Ca -0.01 -0.25 0.05 0.00 0.42 0.00 0.00 52.86 53.06 1xwf s ASN 297 Cb -0.00 -0.59 0.12 0.00 -1.45 0.00 0.00 41.25 39.33 1xwf s ASN 297 CO -0.08 0.05 1.04 0.00 -3.72 0.00 0.00 177.10 174.39 1xwf n ILE 298 N 3.56 0.84 0.00 -5.21 3.06 -0.86 -1.57 119.36 119.18 1xwf n ILE 298 Ca -0.21 -0.92 0.00 0.00 -2.50 0.00 0.00 62.75 59.12 1xwf n ILE 298 Cb 0.53 0.60 0.00 0.00 0.54 0.00 0.00 39.64 41.30 1xwf n ILE 298 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1xwf n GLY 299 N 0.00 -2.62 0.00 4.50 0.00 -0.54 -4.91 105.19 101.62 1xwf n GLY 299 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1xwf n GLY 299 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xwf n HIS 300 N 0.00 0.00 -3.91 1.61 -0.00 -1.25 -4.95 115.22 106.72 1xwf n HIS 300 Ca 0.00 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.09 1xwf n HIS 300 Cb 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 29.80 1xwf n HIS 300 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 1xwf s PHE 301 N -0.27 0.28 -0.64 1.57 0.08 -1.26 -4.88 117.98 112.86 1xwf s PHE 301 Ca 0.00 -0.66 0.00 0.00 0.12 0.00 0.00 56.93 56.39 1xwf s PHE 301 Cb 0.00 -0.04 0.00 0.00 -0.57 0.00 0.00 43.02 42.41 1xwf s PHE 301 CO 0.00 -0.66 0.58 -0.40 -0.10 0.00 0.00 175.22 174.64 1xwf n ASP 302 N -0.16 1.46 -0.55 1.36 3.85 -1.26 -3.60 116.55 117.66 1xwf n ASP 302 Ca -0.11 -1.69 0.13 0.00 -0.71 0.00 0.00 54.79 52.41 1xwf n ASP 302 Cb 0.63 -0.42 0.46 0.00 -1.35 0.00 0.00 41.12 40.44 1xwf n ASP 302 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.20 177.52 1xwf n VAL 303 N 0.26 0.03 -0.00 2.12 0.24 -1.26 -4.22 118.33 115.49 1xwf n VAL 303 Ca 0.00 -0.29 0.07 0.00 -2.04 0.00 0.00 64.34 62.07 1xwf n VAL 303 Cb 0.29 0.60 -0.13 0.00 -1.47 0.00 0.00 33.84 33.13 1xwf n VAL 303 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1xwf n GLU 304 N 0.33 0.65 -4.85 7.34 1.02 -1.24 -3.24 120.64 120.66 1xwf n GLU 304 Ca 0.18 -0.07 -0.33 0.00 -0.02 0.00 0.00 57.16 56.92 1xwf n GLU 304 Cb 0.38 -1.60 -0.13 0.00 -0.02 0.00 0.00 31.44 30.07 1xwf n GLU 304 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xwf s ILE 305 N -3.27 3.12 -1.29 -3.67 1.01 -1.26 -1.57 121.20 114.27 1xwf s ILE 305 Ca -0.07 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 59.74 1xwf s ILE 305 Cb 0.11 -2.24 0.11 0.00 0.01 0.00 0.00 42.46 40.46 1xwf s ILE 305 CO 0.87 0.58 1.70 -0.67 0.00 0.00 0.00 174.94 177.42 1xwf n ASP 306 N 2.46 4.93 0.26 3.58 -0.08 -0.67 -4.71 116.55 122.33 1xwf n ASP 306 Ca -0.17 -2.95 -0.16 0.00 -1.51 0.00 0.00 54.79 50.00 1xwf n ASP 306 Cb 0.52 -1.66 -0.08 0.00 2.34 0.00 0.00 41.12 42.25 1xwf n ASP 306 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1xwf h VAL 307 N 4.93 0.50 -0.73 5.18 2.07 -1.88 -2.97 116.25 123.34 1xwf h VAL 307 Ca 0.41 0.00 0.09 0.00 0.82 0.00 0.00 66.70 68.03 1xwf h VAL 307 Cb 0.82 0.50 -0.11 0.00 -1.52 0.00 0.00 31.29 30.99 1xwf h VAL 307 CO 1.45 0.00 -0.35 0.29 0.02 0.00 0.00 177.57 178.98 1xwf n LYS 308 N -5.38 -0.23 -0.25 1.57 4.01 -1.26 0.35 118.16 116.97 1xwf n LYS 308 Ca -0.11 1.12 0.06 0.00 -0.51 0.00 0.00 58.31 58.87 1xwf n LYS 308 Cb 0.28 -1.65 0.19 0.00 -0.51 0.00 0.00 35.03 33.34 1xwf n LYS 308 CO 0.00 0.00 0.00 2.35 -1.11 0.00 0.00 177.40 178.64 1xwf h TRP 309 N 0.00 0.33 0.45 2.13 7.01 -1.92 0.93 115.95 124.88 1xwf h TRP 309 Ca 0.20 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.22 1xwf h TRP 309 Cb 0.38 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 1xwf h TRP 309 CO -0.69 -0.06 -0.38 -0.07 -2.79 0.00 0.00 178.44 174.45 1xwf h LEU 310 N 0.30 -1.02 -1.85 0.65 3.38 -0.11 0.90 115.31 117.57 1xwf h LEU 310 Ca 0.42 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1xwf h LEU 310 Cb 0.72 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1xwf h LEU 310 CO -0.50 -0.52 0.30 0.78 0.09 0.00 0.00 178.44 178.59 1xwf h ASN 311 N -0.81 0.00 0.00 -0.43 2.35 -0.72 -0.44 115.58 115.53 1xwf h ASN 311 Ca -0.06 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 1xwf h ASN 311 Cb 0.68 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1xwf h ASN 311 CO -0.01 0.00 -1.04 -0.62 -1.65 0.00 0.00 177.43 174.11 1xwf n GLU 312 N -2.75 0.51 -0.35 0.81 1.02 0.23 -4.58 120.64 115.53 1xwf n GLU 312 Ca -0.02 0.38 0.04 0.00 -0.02 0.00 0.00 57.16 57.55 1xwf n GLU 312 Cb 0.35 -1.58 0.19 0.00 -0.02 0.00 0.00 31.44 30.37 1xwf n GLU 312 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xwf n ASN 313 N -4.49 2.84 -4.86 1.62 3.02 0.30 -4.89 115.26 108.80 1xwf n ASN 313 Ca -0.19 -2.29 -0.37 0.00 -0.03 0.00 0.00 54.58 51.70 1xwf n ASN 313 Cb 0.49 -0.47 -0.06 0.00 -0.61 0.00 0.00 39.78 39.13 1xwf n ASN 313 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xwf s ALA 314 N -1.74 3.82 0.00 5.41 0.00 -0.19 -4.50 121.76 124.56 1xwf s ALA 314 Ca 0.26 -0.66 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1xwf s ALA 314 Cb 0.18 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.38 1xwf s ALA 314 CO 0.11 0.62 0.71 0.28 0.00 0.00 0.00 175.76 177.48 1xwf n VAL 315 N 1.97 0.00 -4.37 0.00 0.31 0.19 -4.87 118.33 111.56 1xwf n VAL 315 Ca -0.20 1.21 -0.24 0.00 -0.01 0.00 0.00 64.34 65.10 1xwf n VAL 315 Cb 0.55 -2.20 -0.13 0.00 -0.91 0.00 0.00 33.84 31.15 1xwf n VAL 315 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1xwf s GLU 316 N -2.38 1.18 -0.29 5.55 -1.05 -1.25 -4.97 118.70 115.48 1xwf s GLU 316 Ca 0.00 -1.10 0.03 0.00 -0.15 0.00 0.00 54.97 53.75 1xwf s GLU 316 Cb 0.00 -1.40 0.08 0.00 -0.44 0.00 0.00 34.13 32.37 1xwf s GLU 316 CO 0.00 0.33 -0.02 0.21 0.95 0.00 0.00 175.26 176.73 1xwf s LYS 317 N -1.71 1.71 -0.14 -4.83 2.20 -1.26 -0.32 119.74 115.38 1xwf s LYS 317 Ca 0.06 -1.46 -0.08 0.00 -0.36 0.00 0.00 55.97 54.13 1xwf s LYS 317 Cb -0.10 -2.88 -0.04 0.00 -1.51 0.00 0.00 37.83 33.30 1xwf s LYS 317 CO 0.04 -0.75 0.14 0.14 -0.36 0.00 0.00 175.35 174.55 1xwf s VAL 318 N 1.12 5.48 -0.77 4.02 -7.23 -0.95 -4.93 120.40 117.14 1xwf s VAL 318 Ca 0.01 0.21 -0.16 0.00 -1.81 0.00 0.00 61.98 60.23 1xwf s VAL 318 Cb -0.19 -3.42 0.17 0.00 0.56 0.00 0.00 36.38 33.50 1xwf s VAL 318 CO -0.08 0.57 0.79 0.21 -0.31 0.00 0.00 175.10 176.28 1xwf s ASN 319 N -0.63 6.57 0.24 4.85 3.84 -1.26 -0.30 114.94 128.24 1xwf s ASN 319 Ca 0.13 -2.24 -0.04 0.00 0.21 0.00 0.00 52.86 50.92 1xwf s ASN 319 Cb -0.12 -2.26 0.44 0.00 -0.55 0.00 0.00 41.25 38.76 1xwf s ASN 319 CO 0.02 -0.80 1.74 0.40 -2.79 0.00 0.00 177.10 175.68 1xwf h ILE 320 N 5.32 0.70 -2.32 -5.21 5.03 -1.76 -3.47 117.51 115.81 1xwf h ILE 320 Ca -0.00 -0.17 0.23 0.00 -0.12 0.00 0.00 64.86 64.80 1xwf h ILE 320 Cb 1.05 0.16 -0.04 0.00 -3.03 0.00 0.00 36.82 34.96 1xwf h ILE 320 CO 0.92 0.09 0.69 2.29 -0.68 0.00 0.00 178.15 181.46 1xwf n LYS 321 N -4.96 0.41 -1.61 2.37 2.85 -1.02 -5.05 118.16 111.16 1xwf n LYS 321 Ca 0.14 -1.10 -0.50 0.00 -1.05 0.00 0.00 58.31 55.80 1xwf n LYS 321 Cb 0.39 1.59 -0.06 0.00 -0.65 0.00 0.00 35.03 36.30 1xwf n LYS 321 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1xwf n PRO 322 N -0.77 1.68 -1.87 -1.58 -0.02 -1.26 -1.16 135.00 130.02 1xwf n PRO 322 Ca 0.01 0.56 -0.10 0.00 -2.02 0.00 0.00 63.50 61.95 1xwf n PRO 322 Cb 0.55 -2.57 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 1xwf n PRO 322 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1xwf n GLN 323 N 7.17 -0.75 -3.44 -0.52 3.00 -1.26 -4.96 117.38 116.62 1xwf n GLN 323 Ca 0.30 0.60 -0.21 0.00 -0.01 0.00 0.00 57.00 57.68 1xwf n GLN 323 Cb 0.27 -4.60 -0.11 0.00 0.00 0.00 0.00 30.24 25.79 1xwf n GLN 323 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1xwf s VAL 324 N -2.44 -0.28 0.28 5.09 1.01 -0.31 -0.88 120.40 122.87 1xwf s VAL 324 Ca 0.00 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.41 1xwf s VAL 324 Cb 0.00 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 1xwf s VAL 324 CO 0.00 -0.57 0.07 -1.81 0.00 0.00 0.00 175.10 172.79 1xwf s ASP 325 N 2.17 4.79 -0.29 3.32 1.11 -0.66 -2.08 116.67 125.03 1xwf s ASP 325 Ca 0.10 -0.58 -0.03 0.00 0.18 0.00 0.00 52.55 52.22 1xwf s ASP 325 Cb -0.15 -0.95 0.10 0.00 1.07 0.00 0.00 42.92 42.99 1xwf s ASP 325 CO -0.31 -0.07 0.11 -0.60 1.18 0.00 0.00 175.17 175.49 1xwf s ARG 326 N -3.75 0.39 0.37 8.23 3.52 0.58 -0.66 118.95 127.65 1xwf s ARG 326 Ca 0.33 -0.72 -0.21 0.00 -0.13 0.00 0.00 55.73 55.00 1xwf s ARG 326 Cb -0.06 -1.51 -0.10 0.00 -1.56 0.00 0.00 34.95 31.72 1xwf s ARG 326 CO 0.22 -0.99 0.90 0.71 -0.81 0.00 0.00 175.30 175.33 1xwf s TYR 327 N 1.92 3.44 -0.22 5.12 1.51 -0.57 -2.23 117.35 126.32 1xwf s TYR 327 Ca 0.09 1.58 -0.05 0.00 -1.01 0.00 0.00 57.07 57.68 1xwf s TYR 327 Cb -0.16 -2.81 -0.02 0.00 -0.11 0.00 0.00 41.96 38.86 1xwf s TYR 327 CO -0.31 0.03 0.01 -1.17 -1.11 0.00 0.00 175.55 173.00 1xwf s LEU 328 N -2.77 3.23 0.53 -1.29 2.96 0.56 -0.82 118.68 121.07 1xwf s LEU 328 Ca 0.56 -0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 54.18 1xwf s LEU 328 Cb -0.12 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1xwf s LEU 328 CO 0.17 0.03 0.85 -0.76 -1.32 0.00 0.00 176.35 175.31 1xwf s LEU 329 N 1.23 3.47 0.00 -0.68 1.43 -0.52 -0.64 118.68 122.98 1xwf s LEU 329 Ca 0.03 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 1xwf s LEU 329 Cb -0.15 -3.86 0.00 0.00 0.03 0.00 0.00 46.19 42.21 1xwf s LEU 329 CO 0.01 -0.74 0.54 0.29 0.23 0.00 0.00 176.35 176.68 1xwf n LYS 330 N -2.41 0.61 0.00 1.70 5.02 -1.26 -2.39 118.16 119.43 1xwf n LYS 330 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1xwf n LYS 330 Cb 0.56 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.50 1xwf n LYS 330 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xwf n ASN 331 N -0.35 0.90 0.00 4.39 6.94 -1.26 -5.01 115.26 120.88 1xwf n ASN 331 Ca 0.00 -1.07 0.00 0.00 -0.02 0.00 0.00 54.58 53.49 1xwf n ASN 331 Cb 0.03 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.45 1xwf n ASN 331 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xwf n GLY 332 N -0.03 2.48 3.81 4.83 0.00 -1.01 -5.07 105.19 110.20 1xwf n GLY 332 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1xwf n GLY 332 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xwf s HIS 333 N -2.59 3.75 0.25 1.61 3.76 -1.26 -4.87 115.29 115.93 1xwf s HIS 333 Ca 0.00 1.38 0.03 0.00 -0.15 0.00 0.00 55.06 56.32 1xwf s HIS 333 Cb 0.00 -2.60 -0.03 0.00 1.11 0.00 0.00 32.58 31.06 1xwf s HIS 333 CO 0.00 0.45 0.40 1.03 -0.85 0.00 0.00 174.74 175.78 1xwf s ARG 334 N -1.55 3.46 -0.22 1.40 3.00 -1.26 -1.44 118.95 122.34 1xwf s ARG 334 Ca 0.37 -0.58 -0.04 0.00 0.00 0.00 0.00 55.73 55.48 1xwf s ARG 334 Cb -0.19 -2.83 0.07 0.00 0.00 0.00 0.00 34.95 32.00 1xwf s ARG 334 CO 0.22 0.37 0.09 0.42 0.00 0.00 0.00 175.30 176.39 1xwf s ILE 335 N -2.02 0.16 -0.47 1.52 -1.09 -0.00 -1.18 121.20 118.12 1xwf s ILE 335 Ca 0.36 -0.54 -0.28 0.00 -2.23 0.00 0.00 60.65 57.97 1xwf s ILE 335 Cb -0.10 -0.90 0.03 0.00 -1.58 0.00 0.00 42.46 39.91 1xwf s ILE 335 CO 0.31 -0.42 1.06 -0.63 -1.23 0.00 0.00 174.94 174.03 1xwf s ILE 336 N 2.01 4.31 -0.22 2.92 1.09 -0.42 -1.51 121.20 129.38 1xwf s ILE 336 Ca 0.04 1.08 -0.07 0.00 -1.10 0.00 0.00 60.65 60.60 1xwf s ILE 336 Cb -0.16 -4.54 -0.03 0.00 -1.06 0.00 0.00 42.46 36.66 1xwf s ILE 336 CO -0.18 -0.93 0.05 -0.22 -0.10 0.00 0.00 174.94 173.56 1xwf s LEU 337 N 4.19 3.50 0.34 2.97 1.98 0.17 -0.27 118.68 131.56 1xwf s LEU 337 Ca 0.44 -0.13 0.04 0.00 -2.89 0.00 0.00 54.13 51.59 1xwf s LEU 337 Cb -0.08 -1.91 -0.01 0.00 0.66 0.00 0.00 46.19 44.84 1xwf s LEU 337 CO 0.29 0.04 0.50 -0.76 -1.89 0.00 0.00 176.35 174.54 1xwf s LEU 338 N 1.15 3.97 -0.29 -0.68 1.43 -0.32 -1.65 118.68 122.30 1xwf s LEU 338 Ca 0.04 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1xwf s LEU 338 Cb -0.14 -2.93 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1xwf s LEU 338 CO 0.03 -0.41 0.00 0.00 0.23 0.00 0.00 176.35 176.20 1xwf n ALA 339 N -1.71 -0.18 -1.86 4.21 0.00 -0.06 -0.98 120.51 119.93 1xwf n ALA 339 Ca -0.02 0.04 -0.18 0.00 0.00 0.00 0.00 53.44 53.28 1xwf n ALA 339 Cb 0.58 -0.53 -0.05 0.00 0.00 0.00 0.00 19.45 19.44 1xwf n ALA 339 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1xwf n GLU 340 N -1.40 -1.56 0.00 0.00 4.07 -1.26 -1.01 120.64 119.47 1xwf n GLU 340 Ca -0.03 1.02 0.00 0.00 -0.06 0.00 0.00 57.16 58.09 1xwf n GLU 340 Cb 0.16 -5.47 0.00 0.00 -0.06 0.00 0.00 31.44 26.07 1xwf n GLU 340 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1xwf n GLY 341 N -0.57 1.91 3.24 8.31 0.00 -0.15 -4.99 105.19 112.94 1xwf n GLY 341 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.57 1xwf n GLY 341 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwf n ARG 342 N -1.96 -1.49 -1.61 1.61 1.74 -0.18 -4.04 116.66 110.73 1xwf n ARG 342 Ca 0.00 -1.70 -0.43 0.00 -0.77 0.00 0.00 57.85 54.94 1xwf n ARG 342 Cb 0.00 -1.22 -0.03 0.00 -1.02 0.00 0.00 32.46 30.18 1xwf n ARG 342 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xwf n LEU 343 N 0.00 3.46 -0.21 0.55 4.32 -1.24 -4.19 117.00 119.68 1xwf n LEU 343 Ca 0.14 0.43 -0.07 0.00 -0.02 0.00 0.00 56.01 56.49 1xwf n LEU 343 Cb 0.50 -1.53 0.08 0.00 -1.62 0.00 0.00 43.42 40.85 1xwf n LEU 343 CO 0.36 -0.43 0.91 1.62 -1.22 0.00 0.00 177.39 178.63 1xwf h VAL 344 N 6.67 1.26 -0.11 4.08 3.04 -1.64 0.50 116.25 130.06 1xwf h VAL 344 Ca -0.43 -1.01 -0.11 0.00 -1.01 0.00 0.00 66.70 64.14 1xwf h VAL 344 Cb 1.25 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.18 1xwf h VAL 344 CO 0.96 0.38 -0.42 -0.55 -1.01 0.00 0.00 177.57 176.92 1xwf h ASN 345 N 0.97 0.27 0.70 3.17 -1.07 -1.85 0.27 115.58 118.04 1xwf h ASN 345 Ca 0.19 -0.11 -0.26 0.00 0.07 0.00 0.00 56.30 56.19 1xwf h ASN 345 Cb 0.43 -0.07 -0.02 0.00 -2.07 0.00 0.00 38.32 36.58 1xwf h ASN 345 CO 0.01 0.66 -1.31 -0.07 0.07 0.00 0.00 177.43 176.80 1xwf h LEU 346 N 0.21 0.17 -0.11 6.14 3.38 -1.76 -1.33 115.31 122.02 1xwf h LEU 346 Ca 0.02 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1xwf h LEU 346 Cb 0.84 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1xwf h LEU 346 CO 0.07 1.18 -0.73 0.61 0.09 0.00 0.00 178.44 179.66 1xwf n GLY 347 N 1.50 -0.99 0.00 0.83 0.00 0.18 -4.40 105.19 102.31 1xwf n GLY 347 Ca -0.09 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1xwf n GLY 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwf n ALA 349 N -0.05 0.24 -0.93 0.00 0.00 -0.97 -4.49 120.51 114.31 1xwf n ALA 349 Ca 0.00 -0.68 -0.22 0.00 0.00 0.00 0.00 53.44 52.53 1xwf n ALA 349 Cb 0.13 0.53 0.11 0.00 0.00 0.00 0.00 19.45 20.23 1xwf n ALA 349 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1xwf n MET 350 N -0.24 2.13 0.00 0.00 0.00 -1.24 -4.55 117.12 113.22 1xwf n MET 350 Ca 0.02 -2.49 0.00 0.00 0.00 0.00 0.00 57.70 55.22 1xwf n MET 350 Cb 0.21 -1.98 0.00 0.00 0.00 0.00 0.00 33.22 31.45 1xwf n MET 350 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xwf n GLY 351 N -0.68 0.68 3.89 3.03 0.00 -0.54 -4.76 105.19 106.82 1xwf n GLY 351 Ca 0.49 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 1xwf n GLY 351 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xwf s HIS 352 N 0.00 3.52 1.03 1.61 3.76 -1.26 -4.77 115.29 119.18 1xwf s HIS 352 Ca 0.00 1.03 -0.12 0.00 -0.15 0.00 0.00 55.06 55.82 1xwf s HIS 352 Cb 0.00 -2.65 0.21 0.00 1.11 0.00 0.00 32.58 31.25 1xwf s HIS 352 CO 0.00 -0.66 1.07 -2.14 -0.85 0.00 0.00 174.74 172.17 1xwf s PRO 353 N -5.05 0.15 0.01 8.40 0.02 -1.26 -4.87 135.00 132.40 1xwf s PRO 353 Ca 0.53 0.76 -0.24 0.00 0.02 0.00 0.00 61.00 62.07 1xwf s PRO 353 Cb -0.11 -1.69 -0.17 0.00 0.02 0.00 0.00 34.50 32.55 1xwf s PRO 353 CO 0.50 -2.98 1.37 0.77 -0.33 0.00 0.00 177.00 176.32 1xwf h SER 354 N -2.08 0.11 -0.94 2.53 0.02 -1.94 -2.62 113.55 108.63 1xwf h SER 354 Ca -0.55 -0.41 0.09 0.00 -0.84 0.00 0.00 61.79 60.09 1xwf h SER 354 Cb 1.32 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.75 1xwf h SER 354 CO 0.53 0.49 0.58 0.15 -1.14 0.00 0.00 176.83 177.45 1xwf h PHE 355 N -0.27 1.07 0.47 3.45 3.57 -1.86 0.20 116.94 123.57 1xwf h PHE 355 Ca 0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1xwf h PHE 355 Cb 0.45 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1xwf h PHE 355 CO 0.07 0.47 -0.23 -0.24 -2.23 0.00 0.00 178.31 176.15 1xwf h VAL 356 N 0.98 0.50 -1.02 1.41 3.04 -1.84 -2.68 116.25 116.64 1xwf h VAL 356 Ca 0.44 -0.28 0.25 0.00 -1.01 0.00 0.00 66.70 66.11 1xwf h VAL 356 Cb 0.35 0.62 -0.09 0.00 -2.01 0.00 0.00 31.29 30.16 1xwf h VAL 356 CO -0.23 0.05 0.66 0.24 -1.01 0.00 0.00 177.57 177.27 1xwf h MET 357 N -0.81 0.41 -0.32 4.17 2.86 -0.96 0.16 114.93 120.43 1xwf h MET 357 Ca -0.06 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.64 1xwf h MET 357 Cb 0.56 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1xwf h MET 357 CO 0.11 0.27 0.25 1.03 1.06 0.00 0.00 176.91 179.62 1xwf h SER 358 N 0.42 0.00 0.06 1.22 0.87 -0.28 0.62 113.55 116.45 1xwf h SER 358 Ca 0.58 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 61.13 1xwf h SER 358 Cb 1.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1xwf h SER 358 CO -0.29 0.00 -0.03 0.78 -0.53 0.00 0.00 176.83 176.77 1xwf h ASN 359 N 0.00 -0.07 0.82 6.23 4.21 -0.67 -2.44 115.58 123.66 1xwf h ASN 359 Ca 0.15 -0.47 -0.01 0.00 1.21 0.00 0.00 56.30 57.19 1xwf h ASN 359 Cb 0.65 0.02 -0.00 0.00 -1.12 0.00 0.00 38.32 37.86 1xwf h ASN 359 CO -0.00 0.63 -0.04 0.77 -1.29 0.00 0.00 177.43 177.50 1xwf h SER 360 N -0.95 0.00 0.99 5.81 4.64 -1.48 -2.83 113.55 119.73 1xwf h SER 360 Ca -0.01 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 1xwf h SER 360 Cb 0.53 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1xwf h SER 360 CO 0.01 0.04 -1.06 -0.26 -0.87 0.00 0.00 176.83 174.68 1xwf h PHE 361 N 0.00 0.00 -0.01 4.77 0.04 -0.97 -3.02 116.94 117.75 1xwf h PHE 361 Ca -0.00 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.59 1xwf h PHE 361 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 1xwf h PHE 361 CO 0.00 0.37 -0.81 1.15 -0.60 0.00 0.00 178.31 178.41 1xwf h THR 362 N 0.00 1.48 -0.26 -1.55 2.02 -1.20 -1.37 112.91 112.02 1xwf h THR 362 Ca -0.08 -2.50 -0.00 0.00 0.77 0.00 0.00 66.41 64.59 1xwf h THR 362 Cb 1.35 2.37 -0.01 0.00 -1.74 0.00 0.00 68.15 70.12 1xwf h THR 362 CO 0.03 0.73 0.16 0.78 0.37 0.00 0.00 175.52 177.59 1xwf h ASN 363 N 0.11 0.32 -0.53 4.18 2.35 -1.56 -1.16 115.58 119.29 1xwf h ASN 363 Ca -0.03 -0.06 0.07 0.00 -0.55 0.00 0.00 56.30 55.73 1xwf h ASN 363 Cb 1.41 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 39.64 1xwf h ASN 363 CO 0.12 0.28 0.20 -0.61 -1.65 0.00 0.00 177.43 175.77 1xwf h GLN 364 N 0.33 0.37 -0.71 0.81 5.75 -1.31 -0.12 115.11 120.23 1xwf h GLN 364 Ca 0.09 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.52 1xwf h GLN 364 Cb 0.03 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 1xwf h GLN 364 CO -0.02 0.25 0.22 0.28 -2.65 0.00 0.00 178.83 176.91 1xwf h VAL 365 N 0.38 1.26 -0.64 2.39 2.07 -0.97 -2.62 116.25 118.12 1xwf h VAL 365 Ca 0.26 -0.89 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 1xwf h VAL 365 Cb 0.28 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1xwf h VAL 365 CO -0.25 0.35 0.09 0.24 0.02 0.00 0.00 177.57 178.01 1xwf h MET 366 N 1.06 1.06 -0.98 1.57 2.86 -0.09 -2.45 114.93 117.96 1xwf h MET 366 Ca 0.23 -0.29 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1xwf h MET 366 Cb 0.30 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.78 1xwf h MET 366 CO -0.01 0.98 0.64 0.00 1.06 0.00 0.00 176.91 179.59 1xwf h ALA 367 N 1.09 1.34 -0.03 6.32 0.00 -0.80 -1.37 119.26 125.81 1xwf h ALA 367 Ca 0.19 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xwf h ALA 367 Cb 0.45 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1xwf h ALA 367 CO 0.02 0.58 0.01 1.96 0.00 0.00 0.00 179.25 181.82 1xwf h GLN 368 N 1.27 0.04 -0.22 0.00 1.08 -1.11 -0.74 115.11 115.43 1xwf h GLN 368 Ca 0.38 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.60 1xwf h GLN 368 Cb -0.06 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.34 1xwf h GLN 368 CO -0.10 0.17 0.06 0.82 -0.95 0.00 0.00 178.83 178.82 1xwf h ILE 369 N -0.09 0.92 0.26 2.54 2.04 -1.07 -1.27 117.51 120.84 1xwf h ILE 369 Ca 0.01 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1xwf h ILE 369 Cb 0.14 0.75 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1xwf h ILE 369 CO -0.00 0.03 -0.20 -0.33 0.00 0.00 0.00 178.15 177.65 1xwf h GLU 370 N 0.16 -0.42 -1.14 2.37 4.39 -1.13 0.37 114.58 119.18 1xwf h GLU 370 Ca 0.10 0.03 0.32 0.00 0.34 0.00 0.00 59.36 60.15 1xwf h GLU 370 Cb 0.08 0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 28.73 1xwf h GLU 370 CO -0.12 -0.28 0.74 -0.07 -1.16 0.00 0.00 179.01 178.12 1xwf h LEU 371 N -0.44 0.34 -1.27 1.33 4.07 -1.11 0.92 115.31 119.16 1xwf h LEU 371 Ca -0.03 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1xwf h LEU 371 Cb 0.36 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1xwf h LEU 371 CO 0.01 0.00 -0.23 1.87 -1.08 0.00 0.00 178.44 179.01 1xwf n TRP 372 N -4.59 0.00 0.00 1.13 -0.00 -0.48 -3.66 117.44 109.83 1xwf n TRP 372 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.79 1xwf n TRP 372 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.38 1xwf n TRP 372 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 177.69 180.10 1xwf n THR 373 N 0.40 0.00 -2.36 5.87 -1.04 0.13 -4.74 114.28 112.55 1xwf n THR 373 Ca 0.09 -0.27 -0.07 0.00 -2.04 0.00 0.00 64.05 61.76 1xwf n THR 373 Cb 0.43 0.77 0.06 0.00 -1.82 0.00 0.00 70.33 69.77 1xwf n THR 373 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1xwf n HIS 374 N -1.20 1.44 -0.29 -1.42 8.25 0.31 -4.92 115.22 117.39 1xwf n HIS 374 Ca 0.00 -1.86 0.10 0.00 -0.26 0.00 0.00 57.72 55.70 1xwf n HIS 374 Cb 0.00 -0.26 0.24 0.00 1.12 0.00 0.00 29.99 31.09 1xwf n HIS 374 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1xwf h PRO 375 N 2.04 0.12 -1.04 -0.41 0.13 -1.69 0.28 132.00 131.43 1xwf h PRO 375 Ca 0.04 -0.01 0.27 0.00 -0.87 0.00 0.00 66.00 65.43 1xwf h PRO 375 Cb 1.42 -0.03 -0.09 0.00 0.13 0.00 0.00 31.00 32.43 1xwf h PRO 375 CO 0.35 0.08 0.67 -0.44 -0.23 0.00 0.00 178.00 178.43 1xwf h ASP 376 N 0.12 0.44 1.34 1.44 5.19 -1.92 0.76 116.42 123.79 1xwf h ASP 376 Ca 0.51 0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.98 1xwf h ASP 376 Cb 0.98 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.51 1xwf h ASP 376 CO -0.72 0.08 -0.09 0.11 -3.12 0.00 0.00 179.24 175.50 1xwf h LYS 377 N 0.38 0.00 -3.34 3.56 1.57 -0.83 -3.40 116.57 114.51 1xwf h LYS 377 Ca 0.60 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.74 1xwf h LYS 377 Cb 1.53 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.43 1xwf h LYS 377 CO -0.30 0.09 -0.63 0.71 -0.57 0.00 0.00 179.45 178.75 1xwf s TYR 378 N -3.47 3.13 0.93 -1.35 1.51 0.26 -5.09 117.35 113.27 1xwf s TYR 378 Ca 0.03 -3.15 -0.12 0.00 -1.01 0.00 0.00 57.07 52.83 1xwf s TYR 378 Cb 0.08 -2.76 0.15 0.00 -0.11 0.00 0.00 41.96 39.32 1xwf s TYR 378 CO 0.62 -0.73 1.09 -1.25 -1.11 0.00 0.00 175.55 174.17 1xwf s PRO 379 N -0.33 0.97 -0.12 -1.71 0.04 -1.26 -4.69 135.00 127.91 1xwf s PRO 379 Ca 0.17 0.79 -0.33 0.00 0.04 0.00 0.00 61.00 61.67 1xwf s PRO 379 Cb -0.25 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 1xwf s PRO 379 CO -0.01 -2.43 1.96 0.28 0.04 0.00 0.00 177.00 176.84 1xwf n VAL 380 N -4.01 0.55 0.00 -0.36 0.31 -1.26 -4.57 118.33 108.98 1xwf n VAL 380 Ca 0.07 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1xwf n VAL 380 Cb 0.55 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 1xwf n VAL 380 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xwf n GLY 381 N 4.76 -0.36 3.40 2.92 0.00 -1.26 -4.90 105.19 109.76 1xwf n GLY 381 Ca 0.25 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.70 1xwf n GLY 381 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwf s VAL 382 N -2.00 4.51 0.35 1.61 0.11 -1.25 -0.11 120.40 123.61 1xwf s VAL 382 Ca 0.00 -0.62 0.07 0.00 -2.93 0.00 0.00 61.98 58.50 1xwf s VAL 382 Cb 0.00 -3.38 -0.02 0.00 -1.53 0.00 0.00 36.38 31.45 1xwf s VAL 382 CO 0.00 -0.04 0.36 -1.00 -3.33 0.00 0.00 175.10 171.08 1xwf s HIS 383 N 1.58 2.92 -0.02 1.54 4.02 0.31 -4.78 115.29 120.86 1xwf s HIS 383 Ca 0.03 -0.31 0.02 0.00 1.02 0.00 0.00 55.06 55.81 1xwf s HIS 383 Cb -0.18 -1.92 -0.03 0.00 -1.02 0.00 0.00 32.58 29.43 1xwf s HIS 383 CO 0.06 0.07 -0.03 -0.06 1.02 0.00 0.00 174.74 175.79 1xwf s PHE 384 N -2.30 3.00 0.27 1.40 0.40 -1.26 0.23 117.98 119.71 1xwf s PHE 384 Ca 0.43 0.04 -0.29 0.00 -0.60 0.00 0.00 56.93 56.51 1xwf s PHE 384 Cb -0.06 -1.67 -0.10 0.00 0.51 0.00 0.00 43.02 41.70 1xwf s PHE 384 CO 0.28 0.41 1.34 -1.17 0.70 0.00 0.00 175.22 176.78 1xwf s LEU 385 N -1.31 4.42 0.54 -0.37 2.96 -1.26 -4.95 118.68 118.70 1xwf s LEU 385 Ca 0.17 2.58 -0.21 0.00 -0.22 0.00 0.00 54.13 56.45 1xwf s LEU 385 Cb -0.11 -3.63 -0.06 0.00 0.50 0.00 0.00 46.19 42.89 1xwf s LEU 385 CO 0.07 -0.56 1.15 -0.81 -1.32 0.00 0.00 176.35 174.88 1xwf n PRO 386 N 1.75 1.36 -0.26 0.98 -0.04 -1.26 -4.85 135.00 132.69 1xwf n PRO 386 Ca 0.04 0.50 -0.05 0.00 -0.04 0.00 0.00 63.50 63.95 1xwf n PRO 386 Cb 0.42 -2.32 0.10 0.00 -0.04 0.00 0.00 33.50 31.65 1xwf n PRO 386 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1xwf h LYS 387 N 1.15 1.12 -0.00 0.54 3.64 -1.99 -1.17 116.57 119.86 1xwf h LYS 387 Ca -0.49 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 1xwf h LYS 387 Cb 1.33 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1xwf h LYS 387 CO 0.55 0.91 0.02 -0.22 -2.27 0.00 0.00 179.45 178.44 1xwf h LYS 388 N 1.09 0.00 0.00 1.90 3.11 -1.98 -0.17 116.57 120.53 1xwf h LYS 388 Ca 0.25 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.84 1xwf h LYS 388 Cb 0.22 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.41 1xwf h LYS 388 CO -0.02 0.00 -1.39 -0.07 -2.81 0.00 0.00 179.45 175.16 1xwf h LEU 389 N 0.00 0.00 0.66 5.20 3.38 -1.57 -3.09 115.31 119.88 1xwf h LEU 389 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1xwf h LEU 389 Cb 0.03 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.79 1xwf h LEU 389 CO -0.00 0.96 -0.31 -0.78 0.09 0.00 0.00 178.44 178.39 1xwf h ASP 390 N 0.00 -0.75 -1.12 -0.43 -0.00 -0.76 -1.22 116.42 112.14 1xwf h ASP 390 Ca -0.17 -0.01 0.31 0.00 -0.00 0.00 0.00 57.03 57.16 1xwf h ASP 390 Cb 1.88 0.19 -0.08 0.00 -0.00 0.00 0.00 39.33 41.32 1xwf h ASP 390 CO 0.10 -0.44 0.75 -0.33 -0.00 0.00 0.00 179.24 179.32 1xwf h GLU 391 N -1.03 0.23 -0.63 0.28 5.08 -1.54 0.29 114.58 117.26 1xwf h GLU 391 Ca -0.09 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1xwf h GLU 391 Cb 0.71 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1xwf h GLU 391 CO 0.15 0.15 0.32 0.00 -1.00 0.00 0.00 179.01 178.63 1xwf h ALA 392 N 1.55 0.81 -0.60 3.43 0.00 -1.17 0.17 119.26 123.46 1xwf h ALA 392 Ca 0.62 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 1xwf h ALA 392 Cb 1.87 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 1xwf h ALA 392 CO -0.23 0.36 0.29 0.28 0.00 0.00 0.00 179.25 179.95 1xwf h VAL 393 N 0.86 1.19 0.29 0.00 2.07 0.42 -2.72 116.25 118.36 1xwf h VAL 393 Ca 0.22 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1xwf h VAL 393 Cb 0.09 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1xwf h VAL 393 CO -0.03 0.23 -0.14 0.00 0.02 0.00 0.00 177.57 177.65 1xwf h ALA 394 N 1.49 -0.39 -1.10 1.67 0.00 -0.99 -3.21 119.26 116.73 1xwf h ALA 394 Ca 0.21 -0.17 0.32 0.00 0.00 0.00 0.00 54.91 55.27 1xwf h ALA 394 Cb 0.08 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.90 1xwf h ALA 394 CO -0.03 -0.41 0.69 1.49 0.00 0.00 0.00 179.25 181.00 1xwf h GLU 395 N -1.00 0.31 0.00 0.00 4.22 -0.68 0.56 114.58 117.98 1xwf h GLU 395 Ca -0.04 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.38 1xwf h GLU 395 Cb 0.46 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1xwf h GLU 395 CO 0.06 0.20 0.00 0.00 -2.18 0.00 0.00 179.01 177.10 1xwf n ALA 396 N -2.45 1.54 0.23 2.92 0.00 -1.03 -2.50 120.51 119.23 1xwf n ALA 396 Ca 0.29 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.74 1xwf n ALA 396 Cb 1.03 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 19.24 1xwf n ALA 396 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xwf n HIS 397 N -1.43 0.00 0.27 0.00 8.25 0.19 -4.15 115.22 118.35 1xwf n HIS 397 Ca 0.03 0.00 0.17 0.00 -0.26 0.00 0.00 57.72 57.66 1xwf n HIS 397 Cb 0.11 -0.10 0.89 0.00 1.12 0.00 0.00 29.99 32.02 1xwf n HIS 397 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1xwf h LEU 398 N 0.00 0.00 0.21 2.41 4.07 -1.23 -2.97 115.31 117.80 1xwf h LEU 398 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1xwf h LEU 398 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1xwf h LEU 398 CO 0.00 0.00 -0.10 1.23 -1.08 0.00 0.00 178.44 178.49 1xwf h GLY 399 N 0.27 -0.29 -0.91 0.83 0.00 -1.78 -0.68 103.07 100.52 1xwf h GLY 399 Ca 0.00 0.11 0.14 0.00 0.00 0.00 0.00 47.33 47.58 1xwf h GLY 399 CO 0.00 -0.11 -0.36 1.17 0.00 0.00 0.00 176.54 177.24 1xwf n LYS 400 N -4.56 -0.22 -0.06 4.80 3.00 -1.13 0.15 118.16 120.15 1xwf n LYS 400 Ca -0.03 1.40 0.07 0.00 -0.00 0.00 0.00 58.31 59.74 1xwf n LYS 400 Cb 0.11 -2.08 0.31 0.00 0.00 0.00 0.00 35.03 33.37 1xwf n LYS 400 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1xwf n LEU 401 N -5.33 0.86 -3.43 3.14 -0.00 -1.22 -4.96 117.00 106.06 1xwf n LEU 401 Ca 0.09 -0.39 -0.20 0.00 -0.00 0.00 0.00 56.01 55.51 1xwf n LEU 401 Cb 0.36 -0.08 0.04 0.00 -0.00 0.00 0.00 43.42 43.74 1xwf n LEU 401 CO -0.12 0.20 0.03 -3.20 -0.00 0.00 0.00 177.39 174.29 1xwf n ASN 402 N -0.14 -6.20 -4.38 1.45 5.15 0.40 -5.00 115.26 106.54 1xwf n ASN 402 Ca 0.11 -0.73 -0.33 0.00 -0.60 0.00 0.00 54.58 53.03 1xwf n ASN 402 Cb 0.18 -4.20 -0.14 0.00 -0.53 0.00 0.00 39.78 35.08 1xwf n ASN 402 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1xwf s VAL 403 N -3.31 3.07 -0.55 3.44 -7.23 -0.32 -5.04 120.40 110.47 1xwf s VAL 403 Ca 0.34 -0.66 -0.25 0.00 -1.81 0.00 0.00 61.98 59.60 1xwf s VAL 403 Cb -0.09 -2.29 0.04 0.00 0.56 0.00 0.00 36.38 34.60 1xwf s VAL 403 CO 0.80 0.53 1.00 -0.54 -0.31 0.00 0.00 175.10 176.58 1xwf s LYS 404 N 0.27 3.40 -0.10 4.82 3.01 -1.26 -4.77 119.74 125.10 1xwf s LYS 404 Ca -0.09 -0.09 -0.30 0.00 -1.01 0.00 0.00 55.97 54.48 1xwf s LYS 404 Cb -0.16 -4.03 -0.01 0.00 -1.01 0.00 0.00 37.83 32.62 1xwf s LYS 404 CO 0.05 -1.50 1.04 -1.17 0.51 0.00 0.00 175.35 174.29 1xwf s LEU 405 N 4.16 4.25 0.21 3.17 2.96 -1.26 -5.01 118.68 127.16 1xwf s LEU 405 Ca 0.34 1.58 -0.30 0.00 -0.22 0.00 0.00 54.13 55.53 1xwf s LEU 405 Cb -0.11 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.94 1xwf s LEU 405 CO 0.22 -0.48 1.08 -0.89 -1.32 0.00 0.00 176.35 174.96 1xwf s THR 406 N 2.09 3.79 -0.20 3.68 2.01 -1.26 -5.03 115.64 120.71 1xwf s THR 406 Ca 0.49 1.63 -0.06 0.00 0.31 0.00 0.00 61.69 64.07 1xwf s THR 406 Cb -0.19 -4.04 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1xwf s THR 406 CO 0.18 0.32 0.03 -0.75 -0.69 0.00 0.00 174.62 173.72 1xwf s LYS 407 N -0.75 3.73 0.99 4.92 2.36 -1.26 -5.08 119.74 124.65 1xwf s LYS 407 Ca 0.47 -0.46 -0.13 0.00 -2.55 0.00 0.00 55.97 53.30 1xwf s LYS 407 Cb -0.30 -3.17 0.08 0.00 -1.05 0.00 0.00 37.83 33.40 1xwf s LYS 407 CO 0.36 0.05 0.50 -0.11 1.55 0.00 0.00 175.35 177.71 1xwf n LEU 408 N 4.17 -0.07 -4.13 5.43 7.94 -1.26 -5.03 117.00 124.05 1xwf n LEU 408 Ca -0.17 0.23 -0.22 0.00 -1.11 0.00 0.00 56.01 54.74 1xwf n LEU 408 Cb 0.52 -1.21 -0.15 0.00 0.53 0.00 0.00 43.42 43.11 1xwf n LEU 408 CO 0.33 -3.27 -0.48 0.42 -1.11 0.00 0.00 177.39 173.28 1xwf s THR 409 N -2.41 1.18 0.06 1.96 -4.23 -1.26 -4.92 115.64 106.01 1xwf s THR 409 Ca 0.59 -0.74 -0.10 0.00 -1.18 0.00 0.00 61.69 60.25 1xwf s THR 409 Cb -0.20 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.62 1xwf s THR 409 CO 0.65 0.25 0.53 -0.62 -0.54 0.00 0.00 174.62 174.89 1xwf n GLU 410 N 2.48 -0.15 0.05 3.99 -0.58 -1.26 0.13 120.64 125.30 1xwf n GLU 410 Ca -0.15 0.52 -0.11 0.00 -0.42 0.00 0.00 57.16 57.00 1xwf n GLU 410 Cb 0.55 -0.76 -0.04 0.00 -0.57 0.00 0.00 31.44 30.61 1xwf n GLU 410 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1xwf h LYS 411 N 0.00 -0.31 0.33 3.49 3.64 -1.98 0.32 116.57 122.06 1xwf h LYS 411 Ca 0.06 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1xwf h LYS 411 Cb 0.15 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1xwf h LYS 411 CO -0.32 -0.20 -0.26 1.96 -2.27 0.00 0.00 179.45 178.35 1xwf h GLN 412 N -0.32 -0.55 -0.97 1.90 4.20 0.64 0.30 115.11 120.30 1xwf h GLN 412 Ca 0.06 0.04 0.23 0.00 0.06 0.00 0.00 58.65 59.04 1xwf h GLN 412 Cb 0.40 0.12 -0.18 0.00 0.30 0.00 0.00 27.48 28.13 1xwf h GLN 412 CO -0.20 -0.36 -0.10 0.00 -0.67 0.00 0.00 178.83 177.50 1xwf h ALA 413 N -1.41 0.91 0.78 3.87 0.00 0.40 0.28 119.26 124.09 1xwf h ALA 413 Ca -0.04 0.36 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1xwf h ALA 413 Cb 0.47 0.66 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1xwf h ALA 413 CO 0.01 -0.48 -0.43 0.37 0.00 0.00 0.00 179.25 178.72 1xwf h GLN 414 N 0.01 -1.08 -0.77 0.00 5.75 0.07 0.44 115.11 119.53 1xwf h GLN 414 Ca 0.53 0.07 0.18 0.00 -0.15 0.00 0.00 58.65 59.28 1xwf h GLN 414 Cb 0.97 0.24 -0.13 0.00 1.07 0.00 0.00 27.48 29.63 1xwf h GLN 414 CO -0.95 -0.72 0.03 -0.92 -2.65 0.00 0.00 178.83 173.62 1xwf h TYR 415 N -1.12 -0.01 0.00 3.99 3.20 0.24 0.29 116.97 123.57 1xwf h TYR 415 Ca -0.10 0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 1xwf h TYR 415 Cb 0.88 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 1xwf h TYR 415 CO -0.07 -0.24 -0.24 -0.07 -1.64 0.00 0.00 178.16 175.91 1xwf h LEU 416 N 0.11 0.00 -2.29 2.82 3.38 -0.19 -3.48 115.31 115.66 1xwf h LEU 416 Ca 0.43 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.27 1xwf h LEU 416 Cb 0.77 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.60 1xwf h LEU 416 CO -0.67 0.24 -0.37 0.61 0.09 0.00 0.00 178.44 178.34 1xwf n GLY 417 N 0.42 0.02 3.40 0.83 0.00 0.15 -5.06 105.19 104.95 1xwf n GLY 417 Ca 0.01 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 1xwf n GLY 417 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1xwf s MET 418 N -4.13 0.94 0.20 1.61 0.23 -0.86 -5.04 119.30 112.25 1xwf s MET 418 Ca 0.11 -0.01 -0.31 0.00 -1.03 0.00 0.00 55.69 54.44 1xwf s MET 418 Cb -0.01 0.43 -0.10 0.00 -1.53 0.00 0.00 34.83 33.63 1xwf s MET 418 CO 0.34 -0.30 1.46 -1.25 -2.03 0.00 0.00 175.02 173.23 1xwf s PRO 419 N -1.61 4.27 0.61 3.16 0.04 -1.26 -4.53 135.00 135.68 1xwf s PRO 419 Ca -0.10 2.26 0.26 0.00 0.04 0.00 0.00 61.00 63.46 1xwf s PRO 419 Cb -0.02 -3.15 1.20 0.00 0.04 0.00 0.00 34.50 32.57 1xwf s PRO 419 CO 0.05 -0.46 1.63 0.97 0.04 0.00 0.00 177.00 179.22 1xwf h ILE 420 N 3.82 0.16 0.00 0.56 2.10 -1.95 -1.92 117.51 120.28 1xwf h ILE 420 Ca -0.44 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.50 1xwf h ILE 420 Cb 1.21 0.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.30 1xwf h ILE 420 CO 0.83 0.00 -0.96 0.59 -1.08 0.00 0.00 178.15 177.53 1xwf n ASN 421 N -3.37 4.81 -4.16 2.19 4.13 -1.26 -4.56 115.26 113.04 1xwf n ASN 421 Ca 0.12 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.08 1xwf n ASN 421 Cb 0.97 0.54 0.20 0.00 -1.54 0.00 0.00 39.78 39.95 1xwf n ASN 421 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1xwf n GLY 422 N 2.84 -2.54 3.61 7.41 0.00 -0.72 -4.81 105.19 110.98 1xwf n GLY 422 Ca 0.00 -0.95 -0.50 0.00 0.00 0.00 0.00 46.02 44.57 1xwf n GLY 422 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xwf n PRO 423 N -2.96 1.39 0.00 1.61 -0.02 -1.26 -4.67 135.00 129.09 1xwf n PRO 423 Ca 0.02 0.50 0.13 0.00 -2.02 0.00 0.00 63.50 62.13 1xwf n PRO 423 Cb 0.58 -2.17 0.34 0.00 -0.02 0.00 0.00 33.50 32.23 1xwf n PRO 423 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1xwf n PHE 424 N 2.65 0.00 -3.98 6.00 3.72 -1.26 -4.64 117.46 119.96 1xwf n PHE 424 Ca 0.18 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.49 1xwf n PHE 424 Cb 0.22 -0.05 -0.10 0.00 -0.94 0.00 0.00 39.48 38.60 1xwf n PHE 424 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1xwf s LYS 425 N -2.27 0.43 1.07 -1.08 1.02 -1.26 -5.12 119.74 112.53 1xwf s LYS 425 Ca 0.29 -0.71 -0.12 0.00 0.02 0.00 0.00 55.97 55.45 1xwf s LYS 425 Cb 0.20 0.16 0.23 0.00 -0.52 0.00 0.00 37.83 37.90 1xwf s LYS 425 CO 0.44 -0.08 1.08 -2.14 -0.92 0.00 0.00 175.35 173.72 1xwf s PRO 426 N -2.06 -0.17 0.23 -1.68 0.02 -1.26 -4.91 135.00 125.16 1xwf s PRO 426 Ca -0.10 1.16 0.01 0.00 0.02 0.00 0.00 61.00 62.09 1xwf s PRO 426 Cb -0.05 -1.62 0.24 0.00 0.02 0.00 0.00 34.50 33.09 1xwf s PRO 426 CO -0.03 -3.32 1.58 -0.44 -0.33 0.00 0.00 177.00 174.47 1xwf h ASP 427 N -2.35 0.47 0.28 2.53 3.32 -2.02 -2.73 116.42 115.91 1xwf h ASP 427 Ca -0.54 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.28 1xwf h ASP 427 Cb 1.31 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1xwf h ASP 427 CO 0.46 0.88 0.00 0.00 -1.72 0.00 0.00 179.24 178.86 1xwf n HIS 428 N -3.98 0.00 -1.59 4.55 1.44 -1.26 -4.87 115.22 109.52 1xwf n HIS 428 Ca -0.02 0.00 -0.48 0.00 -2.01 0.00 0.00 57.72 55.20 1xwf n HIS 428 Cb 0.55 -0.14 -0.04 0.00 0.12 0.00 0.00 29.99 30.48 1xwf n HIS 428 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 1xwf n TYR 429 N -1.14 1.37 0.75 -1.40 9.36 -1.03 -4.89 117.16 120.17 1xwf n TYR 429 Ca 0.19 0.66 0.09 0.00 3.32 0.00 0.00 57.90 62.15 1xwf n TYR 429 Cb 0.17 -2.29 0.03 0.00 -0.63 0.00 0.00 39.34 36.62 1xwf n TYR 429 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1xwf n ARG 430 N 1.77 1.56 -0.17 2.98 1.74 -1.26 -5.03 116.66 118.25 1xwf n ARG 430 Ca 0.15 -1.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.07 1xwf n ARG 430 Cb 0.25 -1.32 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1xwf n ARG 430 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77