#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xai n TRP 37 N 0.00 0.00 0.00 2.11 -0.00 -1.26 -4.91 117.44 113.38 2xai n TRP 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2xai n TRP 37 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 2xai n TRP 37 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 2xai n SER 38 N 0.00 0.00 -0.29 5.87 2.88 -1.26 -4.98 113.62 115.84 2xai n SER 38 Ca 0.00 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.70 2xai n SER 38 Cb 0.00 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 63.89 2xai n SER 38 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2xai h PRO 39 N 0.00 0.55 -0.16 -1.46 0.11 -2.02 -1.04 132.00 127.98 2xai h PRO 39 Ca 0.00 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.92 2xai h PRO 39 Cb 0.00 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 30.99 2xai h PRO 39 CO 0.00 0.37 -0.52 1.98 -0.21 0.00 0.00 178.00 179.61 2xai h MET 40 N 0.57 0.63 -0.56 1.05 4.05 -1.94 -1.31 114.93 117.42 2xai h MET 40 Ca 0.51 -0.47 -0.07 0.00 -0.28 0.00 0.00 59.70 59.39 2xai h MET 40 Cb 1.04 0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.91 2xai h MET 40 CO -0.26 1.09 0.08 0.45 0.23 0.00 0.00 176.91 178.51 2xai h HIS 41 N 0.30 1.00 -0.64 1.39 3.86 -1.83 -2.01 115.15 117.22 2xai h HIS 41 Ca -0.02 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.05 2xai h HIS 41 Cb 1.15 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 29.32 2xai h HIS 41 CO 0.10 0.88 0.40 1.49 0.86 0.00 0.00 177.93 181.66 2xai h GLU 42 N 0.83 0.87 -0.17 2.45 4.57 -1.11 -0.57 114.58 121.45 2xai h GLU 42 Ca 0.17 -0.07 -0.18 0.00 -1.18 0.00 0.00 59.36 58.10 2xai h GLU 42 Cb 0.42 -0.19 0.01 0.00 -0.16 0.00 0.00 28.75 28.84 2xai h GLU 42 CO 0.01 0.60 -0.60 0.00 -1.18 0.00 0.00 179.01 177.85 2xai h ALA 43 N 1.21 0.30 -0.27 2.92 0.00 -1.12 -2.92 119.26 119.38 2xai h ALA 43 Ca 0.23 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2xai h ALA 43 Cb -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2xai h ALA 43 CO -0.05 0.55 0.17 0.00 0.00 0.00 0.00 179.25 179.92 2xai h ALA 44 N 0.55 1.79 -0.47 0.00 0.00 -1.13 -1.90 119.26 118.11 2xai h ALA 44 Ca -0.03 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2xai h ALA 44 Cb 1.23 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2xai h ALA 44 CO 0.13 0.19 0.15 0.82 0.00 0.00 0.00 179.25 180.53 2xai h ILE 45 N 0.36 1.23 -0.09 0.00 2.04 -0.90 -3.23 117.51 116.92 2xai h ILE 45 Ca 0.10 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.21 2xai h ILE 45 Cb -0.02 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2xai h ILE 45 CO -0.02 0.27 0.00 1.41 0.00 0.00 0.00 178.15 179.81 2xai n HIS 46 N -4.53 0.09 -1.13 1.37 8.25 -1.07 -4.79 115.22 113.41 2xai n HIS 46 Ca 0.01 -0.04 -0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2xai n HIS 46 Cb 0.19 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.30 2xai n HIS 46 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xai n GLY 47 N 1.29 0.41 3.57 -1.41 0.00 -0.91 -4.95 105.19 103.19 2xai n GLY 47 Ca 0.17 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 2xai n GLY 47 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2xai s HIS 48 N -2.02 2.39 0.41 1.61 3.76 -0.76 -4.77 115.29 115.90 2xai s HIS 48 Ca 0.00 -0.63 0.18 0.00 -0.15 0.00 0.00 55.06 54.46 2xai s HIS 48 Cb 0.00 -4.47 1.05 0.00 1.11 0.00 0.00 32.58 30.27 2xai s HIS 48 CO 0.00 -1.69 1.96 -0.56 -0.85 0.00 0.00 174.74 173.60 2xai h GLN 49 N 9.13 0.00 0.01 1.40 -0.00 -1.92 -1.45 115.11 122.27 2xai h GLN 49 Ca 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.94 2xai h GLN 49 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.42 2xai h GLN 49 CO 1.36 0.22 -0.01 -0.07 -0.00 0.00 0.00 178.83 180.34 2xai h LEU 50 N 0.00 -0.01 -1.03 0.06 3.38 -1.98 -0.53 115.31 115.19 2xai h LEU 50 Ca -0.00 -0.68 0.15 0.00 0.09 0.00 0.00 57.88 57.44 2xai h LEU 50 Cb 0.44 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.10 2xai h LEU 50 CO 0.03 0.69 0.62 0.28 0.09 0.00 0.00 178.44 180.15 2xai h SER 51 N -0.73 0.85 -0.11 -0.43 0.02 -1.95 -1.32 113.55 109.88 2xai h SER 51 Ca -0.00 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2xai h SER 51 Cb 0.69 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 2xai h SER 51 CO 0.00 0.40 0.02 -0.07 -1.14 0.00 0.00 176.83 176.05 2xai h LEU 52 N 0.89 0.18 -1.09 5.07 3.38 -1.14 -0.98 115.31 121.62 2xai h LEU 52 Ca 0.52 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 2xai h LEU 52 Cb 0.66 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 2xai h LEU 52 CO -0.30 0.38 0.51 0.03 0.09 0.00 0.00 178.44 179.14 2xai h ARG 53 N -0.03 1.13 0.19 1.13 3.08 -0.74 -1.76 114.38 117.37 2xai h ARG 53 Ca 0.04 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.00 2xai h ARG 53 Cb 0.27 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 2xai h ARG 53 CO 0.00 0.79 -0.28 -0.91 -1.07 0.00 0.00 179.97 178.50 2xai h ASN 54 N 1.15 -0.79 -0.83 7.04 2.35 -1.11 -2.01 115.58 121.38 2xai h ASN 54 Ca 0.30 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 2xai h ASN 54 Cb -0.05 0.29 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 2xai h ASN 54 CO -0.06 -0.39 0.52 -0.07 -1.65 0.00 0.00 177.43 175.78 2xai h LEU 55 N -0.54 0.98 -1.34 1.61 3.38 -0.83 -1.70 115.31 116.86 2xai h LEU 55 Ca 0.01 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2xai h LEU 55 Cb 0.54 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2xai h LEU 55 CO -0.12 0.74 0.07 0.40 0.09 0.00 0.00 178.44 179.62 2xai h ILE 56 N 1.13 1.17 0.00 1.22 2.04 -1.23 -1.74 117.51 120.10 2xai h ILE 56 Ca 0.30 -0.62 -0.08 0.00 1.00 0.00 0.00 64.86 65.46 2xai h ILE 56 Cb -0.08 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2xai h ILE 56 CO -0.06 0.22 -0.48 0.77 0.00 0.00 0.00 178.15 178.61 2xai h SER 57 N 0.51 0.00 0.85 1.72 4.64 -0.72 -2.63 113.55 117.90 2xai h SER 57 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2xai h SER 57 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2xai h SER 57 CO -0.00 0.36 0.00 0.00 -0.87 0.00 0.00 176.83 176.32 2xai n GLN 58 N -3.14 0.02 0.00 4.77 6.02 -0.70 -4.90 117.38 119.45 2xai n GLN 58 Ca 0.01 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 2xai n GLN 58 Cb 0.68 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 30.42 2xai n GLN 58 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2xai n GLY 59 N 0.93 0.80 3.76 1.08 0.00 -0.99 -5.08 105.19 105.68 2xai n GLY 59 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2xai n GLY 59 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2xai n TRP 60 N -1.13 2.90 -2.45 1.61 7.02 -0.69 -4.97 117.44 119.72 2xai n TRP 60 Ca 0.00 0.42 -0.35 0.00 -1.02 0.00 0.00 57.50 56.55 2xai n TRP 60 Cb 0.00 -2.53 -0.03 0.00 -2.42 0.00 0.00 31.31 26.33 2xai n TRP 60 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2xai s ALA 61 N -0.90 2.92 -0.13 6.99 0.00 -1.26 -4.56 121.76 124.82 2xai s ALA 61 Ca 0.55 0.73 0.16 0.00 0.00 0.00 0.00 51.96 53.40 2xai s ALA 61 Cb -0.49 -3.30 -0.23 0.00 0.00 0.00 0.00 23.12 19.10 2xai s ALA 61 CO 0.61 -0.42 0.39 0.28 0.00 0.00 0.00 175.76 176.62 2xai n VAL 62 N -0.69 1.38 -3.13 0.00 0.31 -1.26 -4.46 118.33 110.47 2xai n VAL 62 Ca 0.08 -0.80 -0.44 0.00 -0.01 0.00 0.00 64.34 63.17 2xai n VAL 62 Cb 0.51 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 2xai n VAL 62 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2xai n ASN 63 N -2.85 5.73 -4.29 4.52 3.02 -1.26 -4.55 115.26 115.58 2xai n ASN 63 Ca -0.23 -3.15 -0.30 0.00 -0.03 0.00 0.00 54.58 50.88 2xai n ASN 63 Cb 1.05 -1.38 -0.16 0.00 -0.61 0.00 0.00 39.78 38.69 2xai n ASN 63 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 2xai s ILE 64 N -1.28 1.94 0.05 2.41 2.07 -1.26 -5.11 121.20 120.00 2xai s ILE 64 Ca 0.33 -1.07 0.04 0.00 -1.41 0.00 0.00 60.65 58.54 2xai s ILE 64 Cb -0.04 -1.61 -0.02 0.00 0.13 0.00 0.00 42.46 40.92 2xai s ILE 64 CO -0.01 0.53 -0.11 0.27 -1.91 0.00 0.00 174.94 173.70 2xai s ILE 65 N -0.59 0.86 1.02 2.00 -4.36 -1.26 -4.10 121.20 114.77 2xai s ILE 65 Ca 0.10 -1.05 -0.15 0.00 -0.26 0.00 0.00 60.65 59.29 2xai s ILE 65 Cb -0.09 -0.84 0.20 0.00 1.25 0.00 0.00 42.46 42.98 2xai s ILE 65 CO -0.01 -0.18 1.16 0.42 0.24 0.00 0.00 174.94 176.58 2xai s THR 66 N -1.08 1.88 0.58 8.37 -4.23 -0.67 -4.83 115.64 115.66 2xai s THR 66 Ca -0.03 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 60.76 2xai s THR 66 Cb -0.09 -2.70 0.36 0.00 1.34 0.00 0.00 72.50 71.42 2xai s THR 66 CO 0.01 0.00 2.12 0.00 -0.54 0.00 0.00 174.62 176.21 2xai h ALA 67 N -1.89 1.80 -0.12 3.99 0.00 -1.92 0.90 119.26 122.02 2xai h ALA 67 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2xai h ALA 67 Cb 1.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2xai h ALA 67 CO 0.49 -0.26 0.00 -0.25 0.00 0.00 0.00 179.25 179.23 2xai n ASP 68 N -3.85 1.47 -1.68 0.00 8.00 -1.26 -4.92 116.55 114.31 2xai n ASP 68 Ca 0.01 -1.63 -0.15 0.00 0.71 0.00 0.00 54.79 53.73 2xai n ASP 68 Cb 0.29 -0.08 -0.01 0.00 -0.02 0.00 0.00 41.12 41.31 2xai n ASP 68 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2xai n HIS 69 N 0.18 -0.72 -2.80 1.24 8.25 0.31 -0.43 115.22 121.25 2xai n HIS 69 Ca 0.17 0.02 -0.41 0.00 -0.26 0.00 0.00 57.72 57.24 2xai n HIS 69 Cb 0.31 -3.08 -0.04 0.00 1.12 0.00 0.00 29.99 28.29 2xai n HIS 69 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2xai s VAL 70 N -2.74 4.68 0.37 1.59 1.01 -1.26 -4.26 120.40 119.80 2xai s VAL 70 Ca 0.01 1.94 0.08 0.00 0.00 0.00 0.00 61.98 64.00 2xai s VAL 70 Cb -0.01 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 2xai s VAL 70 CO 0.01 0.28 0.31 -0.94 0.00 0.00 0.00 175.10 174.77 2xai s SER 71 N 0.31 5.11 0.25 3.32 1.04 -1.26 -1.67 113.70 120.79 2xai s SER 71 Ca 0.46 -0.64 -0.03 0.00 0.48 0.00 0.00 55.95 56.22 2xai s SER 71 Cb -0.22 -0.77 0.48 0.00 0.10 0.00 0.00 66.02 65.61 2xai s SER 71 CO 0.27 -0.48 1.76 -0.65 0.98 0.00 0.00 173.24 175.12 2xai h PRO 72 N 1.19 0.58 -1.00 4.02 0.11 -1.80 -1.44 132.00 133.66 2xai h PRO 72 Ca -0.43 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.73 2xai h PRO 72 Cb 1.26 -0.13 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 2xai h PRO 72 CO 0.59 0.39 0.64 1.25 -0.21 0.00 0.00 178.00 180.65 2xai h LEU 73 N 0.60 0.99 -0.32 2.35 5.85 -1.93 0.91 115.31 123.75 2xai h LEU 73 Ca 0.43 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.18 2xai h LEU 73 Cb 0.58 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 2xai h LEU 73 CO -0.35 0.59 0.20 0.45 -0.34 0.00 0.00 178.44 178.99 2xai h HIS 74 N 1.09 0.41 -0.62 1.25 3.86 -1.66 -1.16 115.15 118.33 2xai h HIS 74 Ca 0.46 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.59 2xai h HIS 74 Cb 0.31 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 2xai h HIS 74 CO -0.00 0.29 0.05 0.93 0.86 0.00 0.00 177.93 180.06 2xai h GLU 75 N 0.42 1.04 -0.30 2.45 4.39 -0.55 -1.82 114.58 120.20 2xai h GLU 75 Ca 0.12 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.45 2xai h GLU 75 Cb -0.01 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 2xai h GLU 75 CO -0.02 0.98 -0.12 0.00 -1.16 0.00 0.00 179.01 178.69 2xai h ALA 76 N 1.09 0.42 -0.59 3.43 0.00 -0.66 -2.71 119.26 120.24 2xai h ALA 76 Ca 0.18 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2xai h ALA 76 Cb 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2xai h ALA 76 CO 0.02 0.29 0.18 0.00 0.00 0.00 0.00 179.25 179.73 2xai h LEU 78 N 0.83 0.68 -0.59 0.00 5.85 -1.21 -1.09 115.31 119.79 2xai h LEU 78 Ca 0.19 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2xai h LEU 78 Cb 0.29 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2xai h LEU 78 CO -0.01 0.31 -0.29 0.61 -0.34 0.00 0.00 178.44 178.73 2xai n GLY 79 N -1.41 -0.49 2.21 3.75 0.00 -0.95 -4.26 105.19 104.04 2xai n GLY 79 Ca 0.20 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 2xai n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xai n GLY 80 N 1.35 0.10 3.53 -0.02 0.00 -0.41 -4.93 105.19 104.80 2xai n GLY 80 Ca 0.12 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 2xai n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2xai s HIS 81 N -2.50 3.09 0.39 1.61 3.76 -0.86 -4.84 115.29 115.94 2xai s HIS 81 Ca 0.00 -1.81 0.13 0.00 -0.15 0.00 0.00 55.06 53.23 2xai s HIS 81 Cb 0.00 -4.56 0.96 0.00 1.11 0.00 0.00 32.58 30.10 2xai s HIS 81 CO 0.00 -1.63 1.87 1.25 -0.85 0.00 0.00 174.74 175.38 2xai h LEU 82 N 11.30 0.51 -0.67 0.89 5.85 -1.92 -0.68 115.31 130.60 2xai h LEU 82 Ca 0.38 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.14 2xai h LEU 82 Cb 0.88 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 2xai h LEU 82 CO 1.36 0.24 0.41 0.28 -0.34 0.00 0.00 178.44 180.39 2xai h SER 83 N 0.53 0.79 0.47 1.25 0.02 -1.95 -1.83 113.55 112.83 2xai h SER 83 Ca 0.45 -0.05 -0.21 0.00 -0.84 0.00 0.00 61.79 61.14 2xai h SER 83 Cb 0.94 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 2xai h SER 83 CO -0.19 0.61 -0.89 0.00 -1.14 0.00 0.00 176.83 175.22 2xai h VAL 85 N 0.16 0.50 -0.61 0.00 2.07 -1.28 0.12 116.25 117.21 2xai h VAL 85 Ca -0.06 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.58 2xai h VAL 85 Cb 1.52 0.50 -0.12 0.00 -1.52 0.00 0.00 31.29 31.67 2xai h VAL 85 CO 0.14 0.00 -0.19 0.11 0.02 0.00 0.00 177.57 177.65 2xai h LYS 86 N -0.55 -0.04 -0.32 1.57 1.57 -1.22 0.43 116.57 118.02 2xai h LYS 86 Ca -0.02 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 2xai h LYS 86 Cb 0.48 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2xai h LYS 86 CO -0.00 -0.03 0.07 0.82 -0.57 0.00 0.00 179.45 179.74 2xai h ILE 87 N -0.04 1.22 -0.70 1.86 2.04 -0.88 -1.30 117.51 119.71 2xai h ILE 87 Ca 0.29 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 2xai h ILE 87 Cb 0.48 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 2xai h ILE 87 CO -0.65 0.25 0.22 -0.07 0.00 0.00 0.00 178.15 177.90 2xai h LEU 88 N 0.35 1.00 -0.48 1.44 3.38 -0.33 -2.70 115.31 117.98 2xai h LEU 88 Ca 0.10 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 2xai h LEU 88 Cb 0.31 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2xai h LEU 88 CO 0.00 0.93 -0.15 -0.07 0.09 0.00 0.00 178.44 179.24 2xai h LEU 89 N 1.04 0.96 -1.61 1.67 3.38 -0.75 0.43 115.31 120.44 2xai h LEU 89 Ca 0.23 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2xai h LEU 89 Cb 0.29 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2xai h LEU 89 CO -0.01 1.12 -0.21 0.50 0.09 0.00 0.00 178.44 179.93 2xai h LYS 90 N 0.79 0.00 -0.63 1.13 3.64 -1.10 -0.02 116.57 120.38 2xai h LYS 90 Ca 0.12 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2xai h LYS 90 Cb 0.72 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 2xai h LYS 90 CO 0.05 0.21 0.03 0.72 -2.27 0.00 0.00 179.45 178.19 2xai n HIS 91 N -4.20 2.02 -2.05 1.91 8.25 -1.03 -4.96 115.22 115.16 2xai n HIS 91 Ca -0.02 -0.74 0.00 0.00 -0.26 0.00 0.00 57.72 56.70 2xai n HIS 91 Cb 0.27 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 30.87 2xai n HIS 91 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xai n GLY 92 N 0.50 0.73 3.77 -1.41 0.00 -0.02 -4.87 105.19 103.89 2xai n GLY 92 Ca 0.28 -0.72 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 2xai n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xai s ALA 93 N -2.44 3.02 -0.14 4.61 0.00 0.12 -4.83 121.76 122.10 2xai s ALA 93 Ca 0.00 1.07 -0.26 0.00 0.00 0.00 0.00 51.96 52.77 2xai s ALA 93 Cb 0.00 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.67 2xai s ALA 93 CO 0.00 -0.81 0.87 -0.65 0.00 0.00 0.00 175.76 175.17 2xai s GLN 94 N -2.60 4.35 0.02 0.00 -0.21 -1.26 -4.80 119.66 115.16 2xai s GLN 94 Ca 0.63 1.11 0.27 0.00 0.02 0.00 0.00 55.36 57.39 2xai s GLN 94 Cb -0.33 -3.55 0.87 0.00 1.00 0.00 0.00 33.01 31.00 2xai s GLN 94 CO 0.40 -0.28 1.68 1.33 -2.12 0.00 0.00 175.29 176.30 2xai n VAL 95 N 4.57 0.06 -0.84 1.09 0.24 -1.26 -4.00 118.33 118.19 2xai n VAL 95 Ca 0.05 -0.03 0.08 0.00 -2.04 0.00 0.00 64.34 62.40 2xai n VAL 95 Cb 0.49 -0.19 0.11 0.00 -1.47 0.00 0.00 33.84 32.78 2xai n VAL 95 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2xai n ASN 96 N -1.58 2.28 -4.72 -1.34 3.02 -1.26 -4.27 115.26 107.38 2xai n ASN 96 Ca 0.06 -2.85 -0.36 0.00 -0.03 0.00 0.00 54.58 51.40 2xai n ASN 96 Cb 0.35 -0.34 0.09 0.00 -0.61 0.00 0.00 39.78 39.27 2xai n ASN 96 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2xai s GLY 97 N -2.47 2.65 -0.11 7.41 0.00 -1.26 -4.94 107.32 108.59 2xai s GLY 97 Ca 0.25 1.11 0.02 0.00 0.00 0.00 0.00 44.72 46.10 2xai s GLY 97 CO 0.02 1.54 -0.17 0.14 0.00 0.00 0.00 173.10 174.63 2xai s VAL 98 N -1.62 1.65 0.84 1.40 1.01 -1.26 -4.29 120.40 118.13 2xai s VAL 98 Ca 0.80 -0.73 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 2xai s VAL 98 Cb -0.35 -1.48 0.10 0.00 0.00 0.00 0.00 36.38 34.64 2xai s VAL 98 CO 0.43 0.47 1.15 0.42 0.00 0.00 0.00 175.10 177.57 2xai s THR 99 N 0.91 2.19 0.53 3.92 -4.23 -0.04 -4.85 115.64 114.07 2xai s THR 99 Ca -0.07 0.06 0.31 0.00 -1.18 0.00 0.00 61.69 60.80 2xai s THR 99 Cb -0.15 -2.95 0.34 0.00 1.34 0.00 0.00 72.50 71.09 2xai s THR 99 CO -0.01 -0.08 2.20 0.00 -0.54 0.00 0.00 174.62 176.19 2xai h ALA 100 N -1.20 1.37 -0.59 3.99 0.00 -1.05 0.20 119.26 121.98 2xai h ALA 100 Ca -0.48 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 2xai h ALA 100 Cb 1.32 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 2xai h ALA 100 CO 0.64 0.05 0.17 -0.25 0.00 0.00 0.00 179.25 179.86 2xai n ASP 101 N -3.68 4.57 -0.62 0.00 8.00 -1.26 -4.91 116.55 118.66 2xai n ASP 101 Ca -0.03 -2.95 -0.08 0.00 0.71 0.00 0.00 54.79 52.44 2xai n ASP 101 Cb 0.14 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 40.51 2xai n ASP 101 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2xai n TRP 102 N 0.10 0.00 -3.19 1.24 7.02 0.69 -4.87 117.44 118.42 2xai n TRP 102 Ca 0.32 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.42 2xai n TRP 102 Cb 1.18 -1.97 -0.06 0.00 -2.42 0.00 0.00 31.31 28.05 2xai n TRP 102 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 2xai s HIS 103 N -2.05 3.76 0.31 -5.99 3.76 -1.25 -4.70 115.29 109.13 2xai s HIS 103 Ca 0.00 1.34 0.09 0.00 -0.15 0.00 0.00 55.06 56.34 2xai s HIS 103 Cb 0.00 -2.56 -0.05 0.00 1.11 0.00 0.00 32.58 31.08 2xai s HIS 103 CO 0.00 0.49 0.03 0.95 -0.85 0.00 0.00 174.74 175.36 2xai s THR 104 N -1.28 3.06 0.22 1.30 -4.23 -1.26 -0.86 115.64 112.59 2xai s THR 104 Ca 0.35 -1.90 -0.09 0.00 -1.18 0.00 0.00 61.69 58.88 2xai s THR 104 Cb -0.19 -2.84 0.19 0.00 1.34 0.00 0.00 72.50 71.00 2xai s THR 104 CO 0.21 -0.28 1.69 -0.65 -0.54 0.00 0.00 174.62 175.06 2xai h PRO 105 N 1.79 0.22 -0.68 3.99 0.11 -1.75 -0.90 132.00 134.79 2xai h PRO 105 Ca -0.43 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.67 2xai h PRO 105 Cb 1.25 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2xai h PRO 105 CO 0.63 0.15 0.45 1.25 -0.21 0.00 0.00 178.00 180.27 2xai h LEU 106 N 0.23 0.77 -0.17 2.35 5.85 -1.93 -1.21 115.31 121.20 2xai h LEU 106 Ca 0.34 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.06 2xai h LEU 106 Cb 0.53 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2xai h LEU 106 CO -0.45 0.56 0.03 0.15 -0.34 0.00 0.00 178.44 178.39 2xai h PHE 107 N 0.92 0.06 -0.74 1.25 3.57 -1.73 -1.72 116.94 118.54 2xai h PHE 107 Ca 0.25 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 2xai h PHE 107 Cb -0.09 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 2xai h PHE 107 CO -0.03 0.02 0.45 -0.91 -2.23 0.00 0.00 178.31 175.62 2xai h ASN 108 N 0.11 0.88 -0.44 0.41 2.35 -0.75 0.69 115.58 118.82 2xai h ASN 108 Ca 0.08 -0.06 0.06 0.00 -0.55 0.00 0.00 56.30 55.83 2xai h ASN 108 Cb 0.07 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 2xai h ASN 108 CO -0.10 0.68 0.30 0.00 -1.65 0.00 0.00 177.43 176.65 2xai h ALA 109 N 1.24 1.96 -0.03 -0.83 0.00 -1.00 -0.95 119.26 119.65 2xai h ALA 109 Ca 0.27 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.00 2xai h ALA 109 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2xai h ALA 109 CO -0.05 -0.04 -0.71 0.00 0.00 0.00 0.00 179.25 178.44 2xai h VAL 111 N 0.11 1.25 0.01 0.00 2.07 -0.08 -3.28 116.25 116.33 2xai h VAL 111 Ca -0.02 -0.96 -0.20 0.00 0.82 0.00 0.00 66.70 66.35 2xai h VAL 111 Cb 1.26 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2xai h VAL 111 CO 0.11 0.36 -0.90 0.77 0.02 0.00 0.00 177.57 177.92 2xai h SER 112 N 0.96 0.17 0.00 0.57 4.64 -1.04 -3.47 113.55 115.37 2xai h SER 112 Ca 0.20 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2xai h SER 112 Cb 0.38 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2xai h SER 112 CO 0.01 0.98 0.00 0.61 -0.87 0.00 0.00 176.83 177.56 2xai n GLY 113 N 0.96 0.52 3.55 -0.77 0.00 -0.92 -4.90 105.19 103.63 2xai n GLY 113 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 2xai n GLY 113 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2xai s SER 114 N -2.97 5.57 0.26 1.61 0.15 -1.22 -4.84 113.70 112.25 2xai s SER 114 Ca 0.00 0.06 -0.04 0.00 0.70 0.00 0.00 55.95 56.67 2xai s SER 114 Cb 0.00 -2.54 0.37 0.00 -1.71 0.00 0.00 66.02 62.14 2xai s SER 114 CO 0.00 -2.20 1.87 -0.25 1.20 0.00 0.00 173.24 173.87 2xai h TRP 115 N 13.26 1.13 -0.84 3.44 7.01 -1.95 -1.56 115.95 136.43 2xai h TRP 115 Ca -0.26 0.03 0.06 0.00 2.11 0.00 0.00 58.89 60.83 2xai h TRP 115 Cb 1.12 -0.37 -0.05 0.00 -2.10 0.00 0.00 29.16 27.76 2xai h TRP 115 CO 1.07 0.59 0.55 -0.44 -2.79 0.00 0.00 178.44 177.42 2xai h ASP 116 N 1.12 0.82 -0.12 2.65 3.32 -1.99 -0.43 116.42 121.78 2xai h ASP 116 Ca 0.41 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.39 2xai h ASP 116 Cb 0.14 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 2xai h ASP 116 CO -0.17 0.53 -0.20 0.00 -1.72 0.00 0.00 179.24 177.68 2xai h VAL 118 N -0.06 0.63 -0.02 0.00 2.07 -1.02 -0.37 116.25 117.48 2xai h VAL 118 Ca 0.01 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.44 2xai h VAL 118 Cb 0.78 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2xai h VAL 118 CO 0.05 0.00 -0.41 -1.13 0.02 0.00 0.00 177.57 176.10 2xai h ASN 119 N -0.22 0.04 -0.16 0.57 -1.24 -1.12 0.25 115.58 113.70 2xai h ASN 119 Ca 0.07 -0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.01 2xai h ASN 119 Cb 0.31 -0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.34 2xai h ASN 119 CO -0.18 0.45 -0.10 0.25 -1.29 0.00 0.00 177.43 176.56 2xai h LEU 120 N 0.04 0.37 -0.49 0.34 5.85 -1.10 -1.26 115.31 119.06 2xai h LEU 120 Ca 0.00 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 2xai h LEU 120 Cb 0.74 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 2xai h LEU 120 CO 0.05 0.72 0.28 -0.07 -0.34 0.00 0.00 178.44 179.09 2xai h LEU 121 N 0.02 0.60 -0.77 2.25 3.38 -0.61 -1.93 115.31 118.25 2xai h LEU 121 Ca 0.03 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2xai h LEU 121 Cb 0.59 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2xai h LEU 121 CO 0.03 0.49 0.51 -0.07 0.09 0.00 0.00 178.44 179.49 2xai h LEU 122 N 0.65 0.86 -2.24 1.67 3.38 -0.95 0.11 115.31 118.79 2xai h LEU 122 Ca 0.17 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.15 2xai h LEU 122 Cb 0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 2xai h LEU 122 CO -0.03 0.61 0.08 1.56 0.09 0.00 0.00 178.44 180.75 2xai h GLN 123 N 1.02 0.00 -0.64 1.13 4.20 -0.85 -1.23 115.11 118.74 2xai h GLN 123 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 2xai h GLN 123 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 2xai h GLN 123 CO -0.08 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.80 2xai n HIS 124 N -4.07 1.56 -0.96 2.96 8.25 0.27 -4.92 115.22 118.30 2xai n HIS 124 Ca -0.01 -0.60 0.00 0.00 -0.26 0.00 0.00 57.72 56.85 2xai n HIS 124 Cb 0.18 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 30.99 2xai n HIS 124 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xai n GLY 125 N 0.98 0.42 3.66 -1.41 0.00 -0.46 -4.94 105.19 103.43 2xai n GLY 125 Ca 0.25 -0.91 -0.45 0.00 0.00 0.00 0.00 46.02 44.91 2xai n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xai n ALA 126 N 0.89 0.81 -2.25 4.61 0.00 -0.48 -4.88 120.51 119.21 2xai n ALA 126 Ca 0.00 0.41 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 2xai n ALA 126 Cb 0.00 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.19 2xai n ALA 126 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2xai s SER 127 N 0.17 6.89 0.12 0.00 0.15 -1.26 -4.72 113.70 115.05 2xai s SER 127 Ca 0.68 2.13 -0.18 0.00 0.70 0.00 0.00 55.95 59.27 2xai s SER 127 Cb -0.67 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.02 2xai s SER 127 CO 0.51 -0.66 1.72 0.58 1.20 0.00 0.00 173.24 176.60 2xai h VAL 128 N 4.71 1.12 -3.50 4.45 2.07 -1.91 -3.39 116.25 119.80 2xai h VAL 128 Ca -0.39 -0.31 -0.69 0.00 0.82 0.00 0.00 66.70 66.12 2xai h VAL 128 Cb 1.19 0.84 -0.35 0.00 -1.52 0.00 0.00 31.29 31.45 2xai h VAL 128 CO 0.88 0.12 -0.51 -1.58 0.02 0.00 0.00 177.57 176.50 2xai s GLN 129 N -5.88 2.11 0.68 1.57 2.00 -1.26 -4.60 119.66 114.28 2xai s GLN 129 Ca -0.13 -1.99 -0.16 0.00 -2.00 0.00 0.00 55.36 51.08 2xai s GLN 129 Cb 0.09 -3.61 0.01 0.00 0.80 0.00 0.00 33.01 30.30 2xai s GLN 129 CO 0.71 -1.09 1.22 -2.14 -0.50 0.00 0.00 175.29 173.49 2xai s PRO 130 N 0.86 2.43 0.33 1.67 0.02 -1.26 -4.94 135.00 134.11 2xai s PRO 130 Ca 0.10 1.82 0.09 0.00 0.02 0.00 0.00 61.00 63.04 2xai s PRO 130 Cb -0.22 -1.86 0.59 0.00 0.02 0.00 0.00 34.50 33.02 2xai s PRO 130 CO -0.04 -1.63 1.77 1.05 -0.33 0.00 0.00 177.00 177.82 2xai h GLU 131 N 0.15 0.15 -6.53 5.54 9.09 -1.93 -3.44 114.58 117.61 2xai h GLU 131 Ca -0.49 -0.06 -0.53 0.00 0.05 0.00 0.00 59.36 58.33 2xai h GLU 131 Cb 1.30 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 28.39 2xai h GLU 131 CO 0.52 0.50 0.42 0.45 0.05 0.00 0.00 179.01 180.95 2xai s SER 132 N -6.90 7.34 0.00 3.06 0.15 -1.26 -4.92 113.70 111.18 2xai s SER 132 Ca -0.04 1.86 0.11 0.00 0.70 0.00 0.00 55.95 58.59 2xai s SER 132 Cb 0.14 -2.59 0.50 0.00 -1.71 0.00 0.00 66.02 62.37 2xai s SER 132 CO 0.75 -0.22 1.34 0.47 1.20 0.00 0.00 173.24 176.78 2xai n ASP 133 N 3.17 0.00 0.13 5.45 9.92 -1.26 -2.61 116.55 131.34 2xai n ASP 133 Ca 0.04 0.42 0.08 0.00 -0.53 0.00 0.00 54.79 54.80 2xai n ASP 133 Cb 0.48 -0.45 0.04 0.00 -0.64 0.00 0.00 41.12 40.55 2xai n ASP 133 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2xai h LEU 134 N 0.00 0.00 -6.18 0.64 3.38 -1.95 -3.40 115.31 107.79 2xai h LEU 134 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 2xai h LEU 134 Cb 0.17 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.53 2xai h LEU 134 CO 0.00 0.21 -0.95 0.00 0.09 0.00 0.00 178.44 177.79 2xai n ALA 135 N -2.21 2.88 -2.60 1.53 0.00 -1.07 -5.07 120.51 113.97 2xai n ALA 135 Ca -0.00 -3.66 -0.43 0.00 0.00 0.00 0.00 53.44 49.34 2xai n ALA 135 Cb 0.64 -0.83 -0.08 0.00 0.00 0.00 0.00 19.45 19.18 2xai n ALA 135 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2xai s SER 136 N -1.18 6.19 0.22 0.00 0.15 -1.26 -4.60 113.70 113.23 2xai s SER 136 Ca 0.35 -0.84 -0.16 0.00 0.70 0.00 0.00 55.95 56.01 2xai s SER 136 Cb 0.12 -2.23 0.24 0.00 -1.71 0.00 0.00 66.02 62.45 2xai s SER 136 CO -0.12 -0.66 1.59 -0.65 1.20 0.00 0.00 173.24 174.61 2xai h PRO 137 N 8.79 -0.06 -0.14 5.44 0.11 -1.91 -0.38 132.00 143.85 2xai h PRO 137 Ca -0.27 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 2xai h PRO 137 Cb 1.11 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2xai h PRO 137 CO 0.84 -0.04 -0.17 0.97 -0.21 0.00 0.00 178.00 179.40 2xai h ILE 138 N -0.06 1.19 -0.06 4.15 2.10 -1.93 0.04 117.51 122.95 2xai h ILE 138 Ca 0.32 -0.88 -0.05 0.00 1.08 0.00 0.00 64.86 65.34 2xai h ILE 138 Cb 0.57 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.58 2xai h ILE 138 CO -0.80 0.27 -0.14 0.45 -1.08 0.00 0.00 178.15 176.85 2xai h HIS 139 N 0.22 0.25 -0.51 2.19 3.86 -1.58 -1.60 115.15 117.98 2xai h HIS 139 Ca 0.04 -0.10 0.07 0.00 -1.16 0.00 0.00 60.37 59.22 2xai h HIS 139 Cb 0.43 -0.04 -0.06 0.00 1.06 0.00 0.00 27.41 28.80 2xai h HIS 139 CO 0.01 0.75 0.20 1.49 0.86 0.00 0.00 177.93 181.23 2xai h GLU 140 N -0.32 0.37 -0.58 2.45 4.57 -0.78 0.21 114.58 120.50 2xai h GLU 140 Ca -0.00 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 2xai h GLU 140 Cb 0.75 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.22 2xai h GLU 140 CO 0.03 0.25 0.19 0.00 -1.18 0.00 0.00 179.01 178.30 2xai h ALA 141 N 1.33 1.24 -0.08 2.92 0.00 -1.02 -2.71 119.26 120.94 2xai h ALA 141 Ca 0.24 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.78 2xai h ALA 141 Cb 0.24 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2xai h ALA 141 CO -0.23 0.54 -0.69 0.00 0.00 0.00 0.00 179.25 178.87 2xai h ALA 142 N 1.36 0.19 0.00 0.00 0.00 -0.38 0.78 119.26 121.21 2xai h ALA 142 Ca 0.19 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 2xai h ALA 142 Cb 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2xai h ALA 142 CO -0.01 0.51 -0.25 0.07 0.00 0.00 0.00 179.25 179.57 2xai h ARG 143 N 0.24 0.00 -0.00 0.00 0.11 -0.54 -1.85 114.38 112.34 2xai h ARG 143 Ca -0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2xai h ARG 143 Cb 1.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 2xai h ARG 143 CO 0.14 0.25 -0.47 0.54 0.10 0.00 0.00 179.97 180.53 2xai n ARG 144 N -3.96 0.46 -2.59 0.08 1.74 -1.03 -4.82 116.66 106.54 2xai n ARG 144 Ca -0.02 -0.30 -0.10 0.00 -0.77 0.00 0.00 57.85 56.66 2xai n ARG 144 Cb 0.32 -1.49 0.02 0.00 -1.02 0.00 0.00 32.46 30.29 2xai n ARG 144 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xai n GLY 145 N 1.43 0.13 3.47 -0.13 0.00 -0.70 -4.95 105.19 104.45 2xai n GLY 145 Ca 0.08 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.29 2xai n GLY 145 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2xai s HIS 146 N -2.81 3.37 0.17 1.61 3.76 0.21 -4.83 115.29 116.76 2xai s HIS 146 Ca 0.13 -1.96 -0.15 0.00 -0.15 0.00 0.00 55.06 52.93 2xai s HIS 146 Cb -0.06 -4.35 0.05 0.00 1.11 0.00 0.00 32.58 29.32 2xai s HIS 146 CO 0.17 -1.45 1.83 0.28 -0.85 0.00 0.00 174.74 174.71 2xai h VAL 147 N 4.95 1.12 -0.68 -0.90 2.07 -1.93 -1.09 116.25 119.79 2xai h VAL 147 Ca 0.30 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.63 2xai h VAL 147 Cb 0.90 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 2xai h VAL 147 CO 1.24 0.12 0.43 1.05 0.02 0.00 0.00 177.57 180.43 2xai h GLU 148 N 0.64 0.82 -0.28 1.57 9.09 -1.97 0.20 114.58 124.65 2xai h GLU 148 Ca 0.18 -0.05 -0.01 0.00 0.05 0.00 0.00 59.36 59.52 2xai h GLU 148 Cb -0.07 -0.19 -0.01 0.00 -1.65 0.00 0.00 28.75 26.83 2xai h GLU 148 CO -0.04 0.54 0.12 0.00 0.05 0.00 0.00 179.01 179.69 2xai h VAL 150 N 0.31 0.33 -0.85 0.00 2.07 -0.87 -1.56 116.25 115.67 2xai h VAL 150 Ca 0.09 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.83 2xai h VAL 150 Cb 0.15 0.33 -0.14 0.00 -1.52 0.00 0.00 31.29 30.11 2xai h VAL 150 CO -0.01 0.00 0.23 -1.13 0.02 0.00 0.00 177.57 176.68 2xai h ASN 151 N -0.66 0.01 -0.24 0.57 -1.24 -0.38 -1.38 115.58 112.27 2xai h ASN 151 Ca -0.01 0.19 -0.16 0.00 0.71 0.00 0.00 56.30 57.03 2xai h ASN 151 Cb 0.61 0.25 0.00 0.00 0.73 0.00 0.00 38.32 39.91 2xai h ASN 151 CO -0.08 -0.13 -0.47 0.28 -1.29 0.00 0.00 177.43 175.75 2xai h SER 152 N 0.23 0.82 -0.64 1.15 0.02 -0.88 -1.82 113.55 112.43 2xai h SER 152 Ca 0.53 -0.54 0.07 0.00 -0.84 0.00 0.00 61.79 61.00 2xai h SER 152 Cb 1.03 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 63.27 2xai h SER 152 CO -0.63 1.21 0.32 -0.07 -1.14 0.00 0.00 176.83 176.53 2xai h LEU 153 N 0.46 0.44 0.02 5.07 3.38 -0.57 -1.71 115.31 122.41 2xai h LEU 153 Ca 0.01 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2xai h LEU 153 Cb 1.07 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2xai h LEU 153 CO 0.10 0.28 -0.01 0.40 0.09 0.00 0.00 178.44 179.30 2xai h ILE 154 N 0.59 1.04 -0.60 1.22 2.04 -1.21 0.20 117.51 120.79 2xai h ILE 154 Ca 0.30 -0.19 0.14 0.00 1.00 0.00 0.00 64.86 66.10 2xai h ILE 154 Cb 0.25 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 2xai h ILE 154 CO -0.22 0.05 0.42 0.00 0.00 0.00 0.00 178.15 178.40 2xai h ALA 155 N 0.86 2.29 -0.47 1.87 0.00 -0.96 0.88 119.26 123.74 2xai h ALA 155 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2xai h ALA 155 Cb 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2xai h ALA 155 CO 0.01 -0.45 0.00 0.66 0.00 0.00 0.00 179.25 179.46 2xai n TYR 156 N -4.43 0.72 0.00 0.00 4.02 -0.67 -4.87 117.16 111.93 2xai n TYR 156 Ca 0.11 -0.34 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 2xai n TYR 156 Cb 0.53 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.81 2xai n TYR 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2xai n GLY 157 N 1.17 1.04 3.74 2.72 0.00 0.30 -4.93 105.19 109.24 2xai n GLY 157 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2xai n GLY 157 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2xai s GLY 158 N -2.00 2.41 -0.49 -0.02 0.00 0.04 -4.95 107.32 102.31 2xai s GLY 158 Ca 0.00 0.82 -0.25 0.00 0.00 0.00 0.00 44.72 45.29 2xai s GLY 158 CO 0.00 1.21 0.93 0.21 0.00 0.00 0.00 173.10 175.45 2xai s ASN 159 N -2.06 6.45 0.53 1.64 2.47 -1.26 -4.65 114.94 118.06 2xai s ASN 159 Ca 0.73 -0.03 0.30 0.00 0.42 0.00 0.00 52.86 54.28 2xai s ASN 159 Cb -0.27 -2.45 1.48 0.00 -1.45 0.00 0.00 41.25 38.57 2xai s ASN 159 CO 0.40 -1.11 2.06 -0.29 -3.72 0.00 0.00 177.10 174.45 2xai h ILE 160 N 6.06 0.41 -0.02 -5.21 2.10 -1.95 -2.53 117.51 116.37 2xai h ILE 160 Ca -0.25 -0.54 0.00 0.00 1.08 0.00 0.00 64.86 65.15 2xai h ILE 160 Cb 1.07 1.38 0.00 0.00 -1.09 0.00 0.00 36.82 38.19 2xai h ILE 160 CO 1.05 0.10 -0.10 0.47 -1.08 0.00 0.00 178.15 178.59 2xai n ASP 161 N -3.46 2.50 -3.59 2.19 8.00 -1.26 -4.39 116.55 116.53 2xai n ASP 161 Ca -0.01 -1.75 -0.51 0.00 0.71 0.00 0.00 54.79 53.22 2xai n ASP 161 Cb 0.25 0.11 -0.08 0.00 -0.02 0.00 0.00 41.12 41.39 2xai n ASP 161 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2xai n HIS 162 N 0.86 1.32 -3.86 1.24 -0.00 -0.96 -4.77 115.22 109.05 2xai n HIS 162 Ca 0.11 0.86 -0.36 0.00 0.46 0.00 0.00 57.72 58.79 2xai n HIS 162 Cb 0.49 -1.70 -0.13 0.00 -0.12 0.00 0.00 29.99 28.53 2xai n HIS 162 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 2xai s LYS 163 N 2.38 2.57 -0.11 1.57 2.20 -1.26 -4.04 119.74 123.06 2xai s LYS 163 Ca 0.80 -1.18 -0.05 0.00 -0.36 0.00 0.00 55.97 55.18 2xai s LYS 163 Cb -1.14 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 31.90 2xai s LYS 163 CO 0.62 -0.59 0.09 0.42 -0.36 0.00 0.00 175.35 175.53 2xai s ILE 164 N 1.32 5.12 0.15 5.43 1.01 -0.96 -4.93 121.20 128.33 2xai s ILE 164 Ca -0.03 0.06 -0.25 0.00 0.00 0.00 0.00 60.65 60.42 2xai s ILE 164 Cb -0.19 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.08 2xai s ILE 164 CO -0.00 0.62 1.60 0.28 0.00 0.00 0.00 174.94 177.43 2xai h SER 165 N 5.04 -1.11 0.05 3.58 0.02 -1.96 0.70 113.55 119.87 2xai h SER 165 Ca -0.54 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2xai h SER 165 Cb 1.22 0.48 0.00 0.00 0.14 0.00 0.00 62.40 64.24 2xai h SER 165 CO 0.57 -0.36 -0.05 1.41 -1.14 0.00 0.00 176.83 177.27 2xai n HIS 166 N -5.42 0.00 0.00 3.45 8.25 -1.26 -4.53 115.22 115.72 2xai n HIS 166 Ca -0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.41 2xai n HIS 166 Cb 0.34 -0.03 -0.01 0.00 1.12 0.00 0.00 29.99 31.41 2xai n HIS 166 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2xai n LEU 167 N -0.12 1.07 0.00 2.41 4.32 -0.76 -5.14 117.00 118.78 2xai n LEU 167 Ca 0.18 0.15 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 2xai n LEU 167 Cb 0.33 -0.37 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 2xai n LEU 167 CO 0.19 -0.43 0.00 0.61 -1.22 0.00 0.00 177.39 176.54 2xai n GLY 168 N 2.90 -0.33 3.92 -0.72 0.00 0.17 -4.74 105.19 106.38 2xai n GLY 168 Ca -0.06 -2.21 -0.27 0.00 0.00 0.00 0.00 46.02 43.48 2xai n GLY 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2xai s THR 169 N 0.00 3.31 0.22 2.61 -4.23 -0.28 -2.27 115.64 115.00 2xai s THR 169 Ca 0.00 -0.02 -0.07 0.00 -1.18 0.00 0.00 61.69 60.42 2xai s THR 169 Cb 0.00 -3.35 0.17 0.00 1.34 0.00 0.00 72.50 70.66 2xai s THR 169 CO 0.00 -0.37 1.80 -0.65 -0.54 0.00 0.00 174.62 174.85 2xai h PRO 170 N -0.32 0.65 -0.80 3.99 0.11 -1.77 0.25 132.00 134.11 2xai h PRO 170 Ca -0.45 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 65.76 2xai h PRO 170 Cb 1.27 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 32.18 2xai h PRO 170 CO 0.61 0.43 0.52 1.25 -0.21 0.00 0.00 178.00 180.60 2xai h LEU 171 N 0.67 0.48 -0.40 2.35 5.85 -1.89 -1.79 115.31 120.58 2xai h LEU 171 Ca 0.34 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.99 2xai h LEU 171 Cb 0.29 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2xai h LEU 171 CO -0.23 0.25 -0.13 0.22 -0.34 0.00 0.00 178.44 178.20 2xai h TYR 172 N 0.51 0.90 -0.09 1.25 3.20 -1.21 -2.68 116.97 118.84 2xai h TYR 172 Ca 0.39 -0.21 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 2xai h TYR 172 Cb 0.79 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 2xai h TYR 172 CO -0.00 0.94 -0.06 -0.07 -1.64 0.00 0.00 178.16 177.32 2xai h LEU 173 N 0.60 0.21 -1.37 2.82 3.38 -0.93 -0.67 115.31 119.36 2xai h LEU 173 Ca 0.10 -0.45 0.28 0.00 0.09 0.00 0.00 57.88 57.90 2xai h LEU 173 Cb 0.67 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.26 2xai h LEU 173 CO 0.05 0.62 0.68 0.00 0.09 0.00 0.00 178.44 179.88 2xai h ALA 174 N 0.60 2.28 0.34 1.53 0.00 -1.39 0.82 119.26 123.44 2xai h ALA 174 Ca 0.02 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2xai h ALA 174 Cb 0.55 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2xai h ALA 174 CO 0.02 -0.70 -0.16 0.00 0.00 0.00 0.00 179.25 178.40 2xai h GLU 176 N -1.04 0.20 -0.54 0.00 5.08 -0.53 0.13 114.58 117.88 2xai h GLU 176 Ca -0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2xai h GLU 176 Cb 0.46 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2xai h GLU 176 CO 0.08 0.14 0.00 0.09 -1.00 0.00 0.00 179.01 178.31 2xai n ASN 177 N -5.21 2.84 -2.88 1.42 3.02 0.23 -4.91 115.26 109.77 2xai n ASN 177 Ca 0.24 -2.17 -0.16 0.00 -0.03 0.00 0.00 54.58 52.46 2xai n ASN 177 Cb 0.75 -0.39 -0.01 0.00 -0.61 0.00 0.00 39.78 39.52 2xai n ASN 177 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2xai n GLN 178 N 0.69 -2.81 -2.57 3.52 6.02 0.46 -4.84 117.38 117.86 2xai n GLN 178 Ca 0.16 0.46 -0.42 0.00 -0.01 0.00 0.00 57.00 57.19 2xai n GLN 178 Cb 0.51 -5.09 -0.02 0.00 1.02 0.00 0.00 30.24 26.66 2xai n GLN 178 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2xai s GLN 179 N -5.48 3.69 0.36 -1.09 -1.52 0.98 -4.84 119.66 111.76 2xai s GLN 179 Ca 0.19 -1.34 0.09 0.00 -1.95 0.00 0.00 55.36 52.34 2xai s GLN 179 Cb -0.10 -5.40 0.70 0.00 -0.22 0.00 0.00 33.01 27.99 2xai s GLN 179 CO 0.23 -2.22 1.86 -0.09 -0.25 0.00 0.00 175.29 174.82 2xai h ARG 180 N 9.26 0.24 0.00 2.91 2.43 -1.88 -2.45 114.38 124.89 2xai h ARG 180 Ca 0.26 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.21 2xai h ARG 180 Cb 0.98 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.48 2xai h ARG 180 CO 1.43 0.44 -0.73 0.00 -1.51 0.00 0.00 179.97 179.60 2xai h ALA 181 N 1.58 0.60 -0.00 2.80 0.00 -1.95 -2.56 119.26 119.73 2xai h ALA 181 Ca 0.04 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.29 2xai h ALA 181 Cb 0.48 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2xai h ALA 181 CO 0.03 0.91 0.00 0.00 0.00 0.00 0.00 179.25 180.19 2xai h VAL 183 N -0.12 0.47 -0.47 0.00 2.07 -1.41 0.17 116.25 116.95 2xai h VAL 183 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2xai h VAL 183 Cb 0.13 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2xai h VAL 183 CO -0.00 0.00 0.31 0.50 0.02 0.00 0.00 177.57 178.40 2xai h LYS 184 N -0.42 0.41 -0.09 1.57 3.64 -1.50 -1.79 116.57 118.38 2xai h LYS 184 Ca 0.04 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.26 2xai h LYS 184 Cb 0.46 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2xai h LYS 184 CO -0.15 0.27 -0.44 -0.22 -2.27 0.00 0.00 179.45 176.65 2xai h LYS 185 N 0.42 0.46 -0.30 1.90 1.63 -0.34 -2.42 116.57 117.92 2xai h LYS 185 Ca 0.20 -0.37 0.04 0.00 -0.85 0.00 0.00 60.65 59.67 2xai h LYS 185 Cb 0.26 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.93 2xai h LYS 185 CO -0.05 1.00 0.08 -0.07 -3.45 0.00 0.00 179.45 176.96 2xai h LEU 186 N 0.02 0.05 0.14 5.20 3.38 -0.51 -0.28 115.31 123.31 2xai h LEU 186 Ca -0.03 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2xai h LEU 186 Cb 1.08 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2xai h LEU 186 CO 0.09 0.06 -0.07 -0.07 0.09 0.00 0.00 178.44 178.55 2xai h LEU 187 N 0.19 -0.16 -1.06 1.67 3.38 -1.39 -0.32 115.31 117.63 2xai h LEU 187 Ca 0.14 -0.09 0.17 0.00 0.09 0.00 0.00 57.88 58.18 2xai h LEU 187 Cb 0.13 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.83 2xai h LEU 187 CO -0.16 -0.01 0.62 -0.33 0.09 0.00 0.00 178.44 178.65 2xai h GLU 188 N -0.30 0.77 0.00 1.13 5.08 -1.26 0.24 114.58 120.25 2xai h GLU 188 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2xai h GLU 188 Cb 0.24 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2xai h GLU 188 CO 0.03 0.51 0.00 0.77 -1.00 0.00 0.00 179.01 179.32 2xai h SER 189 N 0.80 0.00 0.00 1.42 0.02 -0.76 -3.44 113.55 111.58 2xai h SER 189 Ca 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.49 2xai h SER 189 Cb 0.80 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.34 2xai h SER 189 CO -0.33 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 175.97 2xai n GLY 190 N -0.35 1.14 3.66 -3.77 0.00 0.85 0.58 105.19 107.30 2xai n GLY 190 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2xai n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xai n ALA 191 N -1.62 0.10 -2.56 4.61 0.00 -0.17 -4.87 120.51 116.00 2xai n ALA 191 Ca 0.00 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 2xai n ALA 191 Cb 0.00 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.23 2xai n ALA 191 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2xai s ASP 192 N -1.75 6.44 0.63 0.00 -1.08 -1.26 -4.73 116.67 114.92 2xai s ASP 192 Ca 0.75 0.18 0.36 0.00 -0.52 0.00 0.00 52.55 53.33 2xai s ASP 192 Cb -0.33 -2.55 1.98 0.00 -1.46 0.00 0.00 42.92 40.55 2xai s ASP 192 CO 0.48 -1.47 2.11 1.62 0.52 0.00 0.00 175.17 178.43 2xai h VAL 193 N 6.19 0.00 0.00 1.11 3.04 -1.90 -2.56 116.25 122.13 2xai h VAL 193 Ca -0.25 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2xai h VAL 193 Cb 1.06 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 2xai h VAL 193 CO 1.18 0.00 -1.48 0.59 -1.01 0.00 0.00 177.57 176.85 2xai n ASN 194 N -2.90 0.97 -4.61 3.17 3.02 -1.26 -4.49 115.26 109.16 2xai n ASN 194 Ca -0.02 -0.28 -0.43 0.00 -0.03 0.00 0.00 54.58 53.82 2xai n ASN 194 Cb 0.19 1.55 -0.02 0.00 -0.61 0.00 0.00 39.78 40.88 2xai n ASN 194 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2xai s GLN 195 N -3.01 3.63 0.00 3.52 -1.52 -0.97 -4.39 119.66 116.93 2xai s GLN 195 Ca -0.02 1.03 0.00 0.00 -1.95 0.00 0.00 55.36 54.42 2xai s GLN 195 Cb 0.12 -4.00 0.00 0.00 -0.22 0.00 0.00 33.01 28.90 2xai s GLN 195 CO 0.71 -1.49 0.00 0.41 -0.25 0.00 0.00 175.29 174.67 2xai n GLY 196 N 4.94 1.53 3.15 3.09 0.00 -1.25 -4.55 105.19 112.10 2xai n GLY 196 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2xai n GLY 196 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2xai s LYS 197 N 3.23 2.46 7.75 1.61 2.20 0.28 -1.13 119.74 136.14 2xai s LYS 197 Ca 0.00 -1.23 0.00 0.00 -0.36 0.00 0.00 55.97 54.38 2xai s LYS 197 Cb 0.00 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 2xai s LYS 197 CO 0.00 -0.56 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 2xai n GLY 198 N 4.58 3.34 0.21 5.54 0.00 -1.26 -1.11 105.19 116.49 2xai n GLY 198 Ca -0.14 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 45.88 2xai n GLY 198 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2xai n GLN 199 N 13.63 0.75 -2.86 1.61 6.02 -1.26 -4.83 117.38 130.44 2xai n GLN 199 Ca 0.00 -0.42 -0.42 0.00 -0.01 0.00 0.00 57.00 56.15 2xai n GLN 199 Cb 0.00 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.73 2xai n GLN 199 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2xai s ASP 200 N -2.54 6.82 0.30 1.08 2.15 -0.27 -4.25 116.67 119.97 2xai s ASP 200 Ca 0.24 0.98 -0.03 0.00 0.43 0.00 0.00 52.55 54.17 2xai s ASP 200 Cb 0.19 -2.45 -0.05 0.00 -0.30 0.00 0.00 42.92 40.32 2xai s ASP 200 CO 0.53 -0.58 0.55 -0.94 -0.17 0.00 0.00 175.17 174.56 2xai s SER 201 N 1.41 6.40 0.28 -0.34 1.04 -1.26 -0.56 113.70 120.67 2xai s SER 201 Ca 0.36 0.64 -0.02 0.00 0.48 0.00 0.00 55.95 57.41 2xai s SER 201 Cb -0.15 -2.11 0.63 0.00 0.10 0.00 0.00 66.02 64.49 2xai s SER 201 CO 0.09 -0.22 1.60 -0.65 0.98 0.00 0.00 173.24 175.04 2xai h PRO 202 N 1.42 0.07 -0.13 4.02 0.11 -1.79 0.62 132.00 136.32 2xai h PRO 202 Ca -0.48 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.65 2xai h PRO 202 Cb 1.20 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2xai h PRO 202 CO 0.65 0.04 0.09 1.25 -0.21 0.00 0.00 178.00 179.82 2xai h LEU 203 N 0.07 0.06 0.03 2.35 5.85 -1.93 -1.30 115.31 120.44 2xai h LEU 203 Ca 0.52 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.24 2xai h LEU 203 Cb 1.02 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2xai h LEU 203 CO -0.80 0.04 -0.02 0.45 -0.34 0.00 0.00 178.44 177.77 2xai h HIS 204 N 0.06 -0.04 -0.52 1.25 3.86 -0.13 -2.88 115.15 116.75 2xai h HIS 204 Ca 0.06 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 2xai h HIS 204 Cb 0.14 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 2xai h HIS 204 CO -0.00 0.30 0.25 0.00 0.86 0.00 0.00 177.93 179.35 2xai h ALA 205 N 0.56 1.47 0.00 2.45 0.00 -0.85 -1.85 119.26 121.03 2xai h ALA 205 Ca -0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 2xai h ALA 205 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2xai h ALA 205 CO 0.01 0.42 -0.40 0.28 0.00 0.00 0.00 179.25 179.56 2xai h VAL 206 N 0.73 1.03 0.00 0.00 2.07 -1.28 -2.97 116.25 115.83 2xai h VAL 206 Ca 0.18 -1.52 -0.18 0.00 0.82 0.00 0.00 66.70 66.01 2xai h VAL 206 Cb 0.07 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.70 2xai h VAL 206 CO -0.03 0.39 -0.84 0.00 0.02 0.00 0.00 177.57 177.11 2xai h ALA 207 N 1.60 0.54 -0.10 1.67 0.00 -1.11 -2.02 119.26 119.84 2xai h ALA 207 Ca -0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 2xai h ALA 207 Cb 0.85 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 2xai h ALA 207 CO 0.05 1.05 0.02 0.00 0.00 0.00 0.00 179.25 180.38 2xai h ARG 208 N 0.00 0.16 -1.03 0.00 3.08 -1.41 -2.46 114.38 112.73 2xai h ARG 208 Ca -0.01 -0.04 0.26 0.00 0.07 0.00 0.00 59.98 60.26 2xai h ARG 208 Cb 1.55 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 31.49 2xai h ARG 208 CO 0.11 0.34 0.67 1.15 -1.07 0.00 0.00 179.97 181.17 2xai h THR 209 N -0.04 0.54 -1.19 2.04 2.02 -1.52 -3.47 112.91 111.29 2xai h THR 209 Ca 0.03 -0.13 -0.27 0.00 0.77 0.00 0.00 66.41 66.81 2xai h THR 209 Cb 0.25 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 66.74 2xai h THR 209 CO 0.00 0.07 -0.29 0.00 0.37 0.00 0.00 175.52 175.67 2xai n ALA 210 N -2.50 -0.29 -2.16 6.16 0.00 -0.79 -4.95 120.51 115.99 2xai n ALA 210 Ca 0.24 0.17 -0.39 0.00 0.00 0.00 0.00 53.44 53.46 2xai n ALA 210 Cb 0.87 -1.54 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 2xai n ALA 210 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2xai s SER 211 N -2.66 5.53 0.13 0.00 0.15 -1.04 -4.82 113.70 111.00 2xai s SER 211 Ca 0.00 0.25 -0.16 0.00 0.70 0.00 0.00 55.95 56.74 2xai s SER 211 Cb 0.00 -2.54 -0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2xai s SER 211 CO 0.00 -2.20 1.68 -0.33 1.20 0.00 0.00 173.24 173.59 2xai h GLU 212 N 13.68 0.62 -0.28 5.44 5.08 -1.92 -1.63 114.58 135.57 2xai h GLU 212 Ca -0.27 -0.12 0.07 0.00 -1.00 0.00 0.00 59.36 58.04 2xai h GLU 212 Cb 1.14 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 30.22 2xai h GLU 212 CO 1.22 0.59 -0.18 1.49 -1.00 0.00 0.00 179.01 181.12 2xai h GLU 213 N 0.52 -0.15 -0.09 2.33 4.57 -2.00 -2.34 114.58 117.43 2xai h GLU 213 Ca 0.14 0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 58.14 2xai h GLU 213 Cb 0.21 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2xai h GLU 213 CO -0.01 -0.10 -0.72 -0.07 -1.18 0.00 0.00 179.01 176.93 2xai h LEU 214 N -0.16 0.50 -0.72 1.64 3.38 -1.94 -2.99 115.31 115.02 2xai h LEU 214 Ca 0.15 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2xai h LEU 214 Cb 0.39 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2xai h LEU 214 CO -0.37 1.06 0.30 0.00 0.09 0.00 0.00 178.44 179.52 2xai h ALA 215 N 0.93 0.94 -0.83 1.53 0.00 -1.14 -0.75 119.26 119.94 2xai h ALA 215 Ca -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2xai h ALA 215 Cb 1.29 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2xai h ALA 215 CO 0.12 0.55 0.48 0.00 0.00 0.00 0.00 179.25 180.41 2xai h LEU 217 N 1.15 -0.53 -1.65 0.00 5.85 -1.31 -0.24 115.31 118.59 2xai h LEU 217 Ca 0.30 -0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.11 2xai h LEU 217 Cb -0.01 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 2xai h LEU 217 CO -0.05 -0.30 0.44 -0.07 -0.34 0.00 0.00 178.44 178.12 2xai h LEU 218 N -0.72 0.34 -0.03 2.25 3.38 -1.03 -0.96 115.31 118.55 2xai h LEU 218 Ca -0.06 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2xai h LEU 218 Cb 0.52 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.22 2xai h LEU 218 CO 0.10 0.19 -0.29 0.24 0.09 0.00 0.00 178.44 178.78 2xai h MET 219 N 0.38 0.24 -1.59 1.13 2.86 -1.27 0.22 114.93 116.90 2xai h MET 219 Ca 0.31 -0.22 0.48 0.00 -2.06 0.00 0.00 59.70 58.21 2xai h MET 219 Cb 0.70 0.06 -0.09 0.00 0.06 0.00 0.00 31.60 32.33 2xai h MET 219 CO -0.09 0.91 1.10 -0.44 1.06 0.00 0.00 176.91 179.46 2xai h ASP 220 N -0.35 0.10 -0.54 1.22 5.19 0.31 0.54 116.42 122.88 2xai h ASP 220 Ca -0.03 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2xai h ASP 220 Cb 0.99 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.55 2xai h ASP 220 CO 0.06 -0.07 0.00 0.49 -3.12 0.00 0.00 179.24 176.60 2xai n PHE 221 N -4.27 1.00 -1.60 4.55 3.72 -0.86 -4.95 117.46 115.05 2xai n PHE 221 Ca 0.38 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 2xai n PHE 221 Cb 1.65 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 40.07 2xai n PHE 221 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xai n GLY 222 N 0.91 0.73 3.74 1.37 0.00 0.19 -4.79 105.19 107.34 2xai n GLY 222 Ca 0.21 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 45.15 2xai n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xai n ALA 223 N -1.06 1.64 -2.60 4.61 0.00 0.71 -4.91 120.51 118.89 2xai n ALA 223 Ca 0.00 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 2xai n ALA 223 Cb 0.39 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 2xai n ALA 223 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2xai s ASP 224 N -0.73 6.67 0.00 0.00 2.15 -1.26 -4.81 116.67 118.69 2xai s ASP 224 Ca 0.67 0.53 0.28 0.00 0.43 0.00 0.00 52.55 54.46 2xai s ASP 224 Cb -0.44 -2.48 1.28 0.00 -0.30 0.00 0.00 42.92 40.98 2xai s ASP 224 CO 0.53 -0.95 1.93 0.35 -0.17 0.00 0.00 175.17 176.86 2xai n THR 225 N 6.16 0.09 0.22 1.71 -2.24 -1.26 -3.43 114.28 115.52 2xai n THR 225 Ca 0.08 0.02 0.06 0.00 -2.27 0.00 0.00 64.05 61.94 2xai n THR 225 Cb 0.48 -0.55 0.10 0.00 -2.10 0.00 0.00 70.33 68.26 2xai n THR 225 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xai n GLN 226 N -1.42 1.54 -2.46 -0.78 1.13 -1.26 -4.32 117.38 109.82 2xai n GLN 226 Ca 0.09 -1.57 -0.38 0.00 -1.94 0.00 0.00 57.00 53.20 2xai n GLN 226 Cb 0.29 -1.25 -0.04 0.00 0.11 0.00 0.00 30.24 29.35 2xai n GLN 226 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2xai s ALA 227 N -1.00 3.21 -0.08 -1.58 0.00 -1.22 -4.93 121.76 116.17 2xai s ALA 227 Ca 0.18 0.83 0.02 0.00 0.00 0.00 0.00 51.96 53.00 2xai s ALA 227 Cb 0.11 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 2xai s ALA 227 CO 0.16 -0.27 -0.12 0.15 0.00 0.00 0.00 175.76 175.67 2xai s LYS 228 N -2.08 2.79 0.00 0.00 -0.14 -1.26 -3.98 119.74 115.08 2xai s LYS 228 Ca 0.53 -0.66 -0.00 0.00 -1.36 0.00 0.00 55.97 54.48 2xai s LYS 228 Cb -0.28 -2.49 0.00 0.00 -1.68 0.00 0.00 37.83 33.38 2xai s LYS 228 CO 0.35 0.52 0.00 0.27 -0.76 0.00 0.00 175.35 175.73 2xai n ASN 229 N 2.62 0.00 0.09 2.83 0.23 -0.29 -4.85 115.26 115.90 2xai n ASN 229 Ca -0.18 -1.00 0.02 0.00 -0.53 0.00 0.00 54.58 52.89 2xai n ASN 229 Cb 0.52 -0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.59 2xai n ASN 229 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2xai h ALA 230 N -1.88 1.47 -0.09 -2.53 0.00 -1.90 -0.95 119.26 113.38 2xai h ALA 230 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2xai h ALA 230 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2xai h ALA 230 CO 0.00 0.38 0.00 0.39 0.00 0.00 0.00 179.25 180.02 2xai n GLU 231 N -4.27 1.34 -0.01 0.00 1.02 -1.26 -4.87 120.64 112.60 2xai n GLU 231 Ca -0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 56.77 2xai n GLU 231 Cb 0.26 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 2xai n GLU 231 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2xai n GLY 232 N 0.41 2.64 3.82 0.62 0.00 -0.36 -5.00 105.19 107.31 2xai n GLY 232 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2xai n GLY 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xai s LYS 233 N -0.00 4.26 0.46 1.61 1.02 -1.26 -4.57 119.74 121.26 2xai s LYS 233 Ca 0.00 0.96 -0.04 0.00 0.02 0.00 0.00 55.97 56.90 2xai s LYS 233 Cb 0.00 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 2xai s LYS 233 CO 0.00 0.26 0.75 1.03 -0.92 0.00 0.00 175.35 176.47 2xai s ARG 234 N -2.38 3.52 0.13 1.68 0.52 -1.26 -1.13 118.95 120.03 2xai s ARG 234 Ca 0.50 0.11 -0.17 0.00 -0.52 0.00 0.00 55.73 55.64 2xai s ARG 234 Cb -0.15 -2.42 -0.02 0.00 0.52 0.00 0.00 34.95 32.88 2xai s ARG 234 CO 0.20 -0.16 1.73 -1.35 0.02 0.00 0.00 175.30 175.74 2xai h PRO 235 N 0.30 0.46 -0.22 3.54 0.11 -1.75 -0.17 132.00 134.28 2xai h PRO 235 Ca -0.47 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.65 2xai h PRO 235 Cb 1.21 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2xai h PRO 235 CO 0.62 0.39 0.58 -0.24 -0.21 0.00 0.00 178.00 179.13 2xai h VAL 236 N 0.41 0.10 0.00 3.15 3.04 -1.93 0.35 116.25 121.37 2xai h VAL 236 Ca 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.81 2xai h VAL 236 Cb 0.06 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 29.81 2xai h VAL 236 CO -0.02 0.00 -0.24 -0.33 -1.01 0.00 0.00 177.57 175.98 2xai h GLU 237 N 0.00 0.00 0.00 4.17 5.08 -1.41 -3.17 114.58 119.25 2xai h GLU 237 Ca 0.10 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 2xai h GLU 237 Cb 1.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 2xai h GLU 237 CO -0.00 0.00 -0.52 -0.07 -1.00 0.00 0.00 179.01 177.42 2xai h LEU 238 N 0.00 0.00 -9.74 1.33 3.38 -0.98 -3.48 115.31 105.82 2xai h LEU 238 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2xai h LEU 238 Cb 0.84 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.65 2xai h LEU 238 CO 0.00 0.52 0.79 -0.69 0.09 0.00 0.00 178.44 179.15 2xai s VAL 239 N -3.01 2.56 0.71 1.22 1.01 -1.20 -4.21 120.40 117.47 2xai s VAL 239 Ca 0.03 0.46 -0.16 0.00 0.00 0.00 0.00 61.98 62.32 2xai s VAL 239 Cb 0.08 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 33.19 2xai s VAL 239 CO 0.74 0.07 1.22 -2.84 0.00 0.00 0.00 175.10 174.30 2xai s PRO 240 N -0.27 2.25 0.31 2.72 0.02 -1.26 -4.91 135.00 133.86 2xai s PRO 240 Ca 0.61 1.82 0.25 0.00 0.02 0.00 0.00 61.00 63.70 2xai s PRO 240 Cb -0.43 -1.84 1.08 0.00 0.02 0.00 0.00 34.50 33.33 2xai s PRO 240 CO 0.43 -1.77 1.75 -1.00 -0.33 0.00 0.00 177.00 176.09 2xai h PRO 241 N -0.08 0.00 -0.02 5.54 0.13 -2.00 -2.71 132.00 132.86 2xai h PRO 241 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2xai h PRO 241 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2xai h PRO 241 CO 0.51 0.00 -0.13 0.39 -0.23 0.00 0.00 178.00 178.53 2xai n GLU 242 N -2.37 1.51 -3.30 0.86 4.71 -1.26 -4.90 120.64 115.89 2xai n GLU 242 Ca 0.01 -1.03 -0.38 0.00 -0.01 0.00 0.00 57.16 55.75 2xai n GLU 242 Cb 0.22 -1.48 -0.06 0.00 -1.01 0.00 0.00 31.44 29.11 2xai n GLU 242 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2xai s SER 243 N -2.20 6.79 0.64 1.62 0.15 -1.02 -4.92 113.70 114.76 2xai s SER 243 Ca 0.30 0.94 0.26 0.00 0.70 0.00 0.00 55.95 58.14 2xai s SER 243 Cb 0.20 -2.31 1.41 0.00 -1.71 0.00 0.00 66.02 63.61 2xai s SER 243 CO 0.41 0.06 1.79 -0.65 1.20 0.00 0.00 173.24 176.05 2xai h PRO 244 N 6.18 0.00 -0.31 5.44 0.11 -1.90 -1.92 132.00 139.59 2xai h PRO 244 Ca -0.43 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 2xai h PRO 244 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2xai h PRO 244 CO 0.72 0.00 -0.00 1.25 -0.21 0.00 0.00 178.00 179.76 2xai h LEU 245 N 0.00 0.53 0.21 2.35 5.85 -1.91 -1.59 115.31 120.75 2xai h LEU 245 Ca 0.00 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2xai h LEU 245 Cb 0.80 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2xai h LEU 245 CO 0.00 0.72 -0.38 0.00 -0.34 0.00 0.00 178.44 178.43 2xai h ALA 246 N 0.84 -0.96 0.00 1.25 0.00 -1.61 0.83 119.26 119.61 2xai h ALA 246 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2xai h ALA 246 Cb 0.44 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2xai h ALA 246 CO 0.02 -1.02 0.15 0.00 0.00 0.00 0.00 179.25 178.39 2xai n GLN 247 N -4.67 0.07 -0.03 0.00 10.64 -1.14 -0.77 117.38 121.48 2xai n GLN 247 Ca -0.07 0.51 -0.21 0.00 -1.83 0.00 0.00 57.00 55.40 2xai n GLN 247 Cb 0.32 -1.87 -0.13 0.00 -0.86 0.00 0.00 30.24 27.70 2xai n GLN 247 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 2xai h LEU 248 N 0.00 0.24 0.02 2.61 5.85 -0.14 -3.23 115.31 120.66 2xai h LEU 248 Ca 0.00 -0.77 -0.00 0.00 0.84 0.00 0.00 57.88 57.95 2xai h LEU 248 Cb 0.29 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2xai h LEU 248 CO 0.00 1.60 -0.01 -0.26 -0.34 0.00 0.00 178.44 179.43 2xai h PHE 249 N -0.49 -0.02 0.00 1.25 0.05 0.13 -2.09 116.94 115.76 2xai h PHE 249 Ca -0.33 -0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.45 2xai h PHE 249 Cb 1.63 0.01 -0.00 0.00 2.00 0.00 0.00 35.95 39.59 2xai h PHE 249 CO 0.11 0.06 -0.02 -0.07 -0.18 0.00 0.00 178.31 178.21 2xai h LEU 250 N -0.10 0.00 -0.84 1.54 3.38 -1.59 1.05 115.31 118.75 2xai h LEU 250 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2xai h LEU 250 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2xai h LEU 250 CO 0.00 0.02 -0.27 1.05 0.09 0.00 0.00 178.44 179.33 2xai h GLU 251 N 0.00 0.00 -0.95 1.13 4.11 -1.42 -3.27 114.58 114.18 2xai h GLU 251 Ca -0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.79 2xai h GLU 251 Cb 0.08 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 28.99 2xai h GLU 251 CO 0.00 0.27 0.29 0.54 0.07 0.00 0.00 179.01 180.19 2xai n ARG 252 N -3.35 3.01 -0.07 1.06 5.12 0.36 -4.75 116.66 118.04 2xai n ARG 252 Ca 0.01 -3.61 -0.12 0.00 -1.93 0.00 0.00 57.85 52.20 2xai n ARG 252 Cb 0.50 -2.29 -0.09 0.00 -1.16 0.00 0.00 32.46 29.42 2xai n ARG 252 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2xai h GLU 253 N 2.10 0.00 0.00 5.56 4.39 -1.58 -3.48 114.58 121.57 2xai h GLU 253 Ca 0.52 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.22 2xai h GLU 253 Cb 1.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2xai h GLU 253 CO 1.30 0.72 0.00 0.41 -1.16 0.00 0.00 179.01 180.28 2xai n GLY 254 N 1.62 -3.56 3.81 -3.84 0.00 -1.26 -4.97 105.19 96.98 2xai n GLY 254 Ca -0.11 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.33 2xai n GLY 254 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2xai s PRO 255 N -2.32 4.25 0.96 1.61 0.04 -1.26 -5.03 135.00 133.25 2xai s PRO 255 Ca 0.00 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.12 2xai s PRO 255 Cb 0.00 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2xai s PRO 255 CO 0.00 -0.02 0.19 -2.30 0.04 0.00 0.00 177.00 174.91 2xai n PRO 256 N -0.40 -0.26 -1.22 0.56 -0.02 -1.26 -4.98 135.00 127.42 2xai n PRO 256 Ca 0.06 -0.04 -0.29 0.00 -2.02 0.00 0.00 63.50 61.21 2xai n PRO 256 Cb 0.53 -1.71 0.17 0.00 -0.02 0.00 0.00 33.50 32.47 2xai n PRO 256 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2xai s SER 257 N -1.84 2.75 0.09 2.55 1.04 -1.26 -4.92 113.70 112.11 2xai s SER 257 Ca 0.54 1.16 0.17 0.00 0.48 0.00 0.00 55.95 58.30 2xai s SER 257 Cb -0.20 -1.81 -0.11 0.00 0.10 0.00 0.00 66.02 64.00 2xai s SER 257 CO 0.70 -3.05 0.88 0.25 0.98 0.00 0.00 173.24 173.00 2xai h LEU 258 N -1.84 0.00 -0.56 2.42 5.85 -1.98 -2.20 115.31 117.01 2xai h LEU 258 Ca -0.54 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.05 2xai h LEU 258 Cb 1.33 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 2xai h LEU 258 CO 0.58 0.52 -0.27 0.24 -0.34 0.00 0.00 178.44 179.17 2xai h MET 259 N 0.00 0.87 0.00 1.25 2.86 -1.98 0.84 114.93 118.77 2xai h MET 259 Ca -0.14 -0.39 -0.00 0.00 -2.06 0.00 0.00 59.70 57.11 2xai h MET 259 Cb 1.52 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.16 2xai h MET 259 CO 0.04 1.03 -0.00 0.37 1.06 0.00 0.00 176.91 179.42 2xai h GLN 260 N 0.74 -0.00 -0.64 1.72 5.75 -1.92 -0.97 115.11 119.78 2xai h GLN 260 Ca 0.09 0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.62 2xai h GLN 260 Cb 0.83 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.34 2xai h GLN 260 CO 0.07 0.18 0.43 -0.07 -2.65 0.00 0.00 178.83 176.79 2xai h LEU 261 N -0.18 0.66 -0.78 -2.39 3.38 -1.30 -1.42 115.31 113.28 2xai h LEU 261 Ca -0.00 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2xai h LEU 261 Cb 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2xai h LEU 261 CO 0.00 0.46 -0.08 0.00 0.09 0.00 0.00 178.44 178.91 2xai h ARG 263 N 0.76 0.17 -0.74 0.00 2.43 -0.28 0.32 114.38 117.05 2xai h ARG 263 Ca 0.13 -0.09 0.16 0.00 -0.81 0.00 0.00 59.98 59.38 2xai h ARG 263 Cb 0.57 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.99 2xai h ARG 263 CO 0.04 0.59 -0.07 -0.07 -1.51 0.00 0.00 179.97 178.94 2xai h LEU 264 N -0.25 -0.49 0.17 3.80 3.38 -1.36 -0.55 115.31 120.01 2xai h LEU 264 Ca 0.01 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2xai h LEU 264 Cb 0.56 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2xai h LEU 264 CO 0.02 -0.21 -0.08 -0.09 0.09 0.00 0.00 178.44 178.17 2xai h ARG 265 N 0.05 -0.21 -0.81 1.13 9.65 -1.18 -2.88 114.38 120.14 2xai h ARG 265 Ca 0.38 0.01 -0.00 0.00 -1.10 0.00 0.00 59.98 59.27 2xai h ARG 265 Cb 0.64 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 29.23 2xai h ARG 265 CO -0.70 0.06 0.49 0.82 2.80 0.00 0.00 179.97 183.44 2xai h ILE 266 N -0.48 1.22 0.00 1.20 2.04 -0.68 -2.36 117.51 118.45 2xai h ILE 266 Ca -0.02 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 2xai h ILE 266 Cb 0.37 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.53 2xai h ILE 266 CO 0.04 0.23 -0.08 0.03 0.00 0.00 0.00 178.15 178.37 2xai h ARG 267 N 1.11 0.00 0.00 2.37 3.08 -1.10 -2.53 114.38 117.31 2xai h ARG 267 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2xai h ARG 267 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 2xai h ARG 267 CO -0.05 0.08 0.00 -0.22 -1.07 0.00 0.00 179.97 178.71 2xai h LYS 268 N 0.00 0.00 0.00 0.04 3.64 -1.20 -2.11 116.57 116.94 2xai h LYS 268 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2xai h LYS 268 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2xai h LYS 268 CO 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.19 2xai s PHE 270 N -3.32 3.47 0.89 0.00 0.08 -0.79 -5.10 117.98 113.20 2xai s PHE 270 Ca 0.05 0.41 -0.13 0.00 0.12 0.00 0.00 56.93 57.37 2xai s PHE 270 Cb 0.09 -1.95 0.13 0.00 -0.57 0.00 0.00 43.02 40.73 2xai s PHE 270 CO 0.42 0.60 1.21 0.20 -0.10 0.00 0.00 175.22 177.54 2xai s GLY 271 N -0.74 1.64 -0.01 4.36 0.00 -1.26 -4.90 107.32 106.40 2xai s GLY 271 Ca 0.13 -0.79 -0.37 0.00 0.00 0.00 0.00 44.72 43.69 2xai s GLY 271 CO 0.03 -0.19 1.53 1.39 0.00 0.00 0.00 173.10 175.86 2xai n ILE 272 N -3.60 0.13 -2.77 0.90 2.08 -1.26 -0.96 119.36 113.88 2xai n ILE 272 Ca 0.10 -0.02 -0.21 0.00 0.56 0.00 0.00 62.75 63.18 2xai n ILE 272 Cb 0.60 -1.13 0.01 0.00 -0.75 0.00 0.00 39.64 38.38 2xai n ILE 272 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2xai n GLN 273 N 3.77 -3.35 0.00 0.38 6.02 0.20 -4.81 117.38 119.59 2xai n GLN 273 Ca 0.21 0.88 0.03 0.00 -0.01 0.00 0.00 57.00 58.11 2xai n GLN 273 Cb 0.20 -5.64 0.02 0.00 1.02 0.00 0.00 30.24 25.84 2xai n GLN 273 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2xai n GLN 274 N -3.52 0.54 0.28 -1.09 1.13 -0.14 -4.72 117.38 109.86 2xai n GLN 274 Ca -0.16 -0.73 0.19 0.00 -1.94 0.00 0.00 57.00 54.36 2xai n GLN 274 Cb 0.64 -1.06 0.94 0.00 0.11 0.00 0.00 30.24 30.87 2xai n GLN 274 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2xai h HIS 275 N 0.97 0.00 0.00 1.08 3.86 -1.88 -0.44 115.15 118.74 2xai h HIS 275 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2xai h HIS 275 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2xai h HIS 275 CO 0.00 0.00 0.00 1.12 0.86 0.00 0.00 177.93 179.91 2xai h HIS 276 N 0.00 0.00 0.00 2.45 2.07 -1.93 -2.22 115.15 115.51 2xai h HIS 276 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2xai h HIS 276 Cb 0.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.11 2xai h HIS 276 CO 0.00 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 176.49 2xai n LYS 277 N -2.78 0.16 0.13 5.12 5.02 -0.18 -1.98 118.16 123.66 2xai n LYS 277 Ca -0.02 0.14 0.19 0.00 -2.02 0.00 0.00 58.31 56.60 2xai n LYS 277 Cb 0.09 -1.50 0.75 0.00 -0.02 0.00 0.00 35.03 34.35 2xai n LYS 277 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2xai h ILE 278 N 0.00 0.31 -0.78 -0.18 2.04 -1.62 0.45 117.51 117.72 2xai h ILE 278 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 2xai h ILE 278 Cb 0.24 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2xai h ILE 278 CO 0.00 0.00 0.51 0.74 0.00 0.00 0.00 178.15 179.40 2xai h THR 279 N 0.00 0.93 0.00 -0.27 2.02 -1.65 -2.70 112.91 111.24 2xai h THR 279 Ca 0.16 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2xai h THR 279 Cb 1.02 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2xai h THR 279 CO -0.00 0.13 0.00 0.29 0.37 0.00 0.00 175.52 176.30 2xai n LYS 280 N -4.50 0.06 -1.35 6.66 4.76 0.16 -4.85 118.16 119.10 2xai n LYS 280 Ca 0.13 0.06 -0.31 0.00 -2.87 0.00 0.00 58.31 55.32 2xai n LYS 280 Cb 0.34 -1.58 0.08 0.00 -1.84 0.00 0.00 35.03 32.04 2xai n LYS 280 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2xai s LEU 281 N -3.38 3.08 -0.33 -0.35 1.43 -1.02 -5.01 118.68 113.10 2xai s LEU 281 Ca 0.13 1.82 -0.15 0.00 -1.03 0.00 0.00 54.13 54.90 2xai s LEU 281 Cb 0.17 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.85 2xai s LEU 281 CO 0.54 -1.92 0.36 -0.69 0.23 0.00 0.00 176.35 174.87 2xai s VAL 282 N -2.86 5.17 0.00 -1.59 1.01 -1.26 -5.00 120.40 115.87 2xai s VAL 282 Ca 0.61 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.71 2xai s VAL 282 Cb -0.17 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2xai s VAL 282 CO 0.54 -0.05 0.00 -0.11 0.00 0.00 0.00 175.10 175.48 2xai n LEU 283 N 5.37 0.00 -4.60 3.92 7.94 -1.26 -5.14 117.00 123.23 2xai n LEU 283 Ca -0.09 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.40 2xai n LEU 283 Cb 0.50 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.46 2xai n LEU 283 CO 0.40 0.00 0.54 -2.65 -1.11 0.00 0.00 177.39 174.57 2xai n PRO 284 N -0.04 1.26 -0.33 1.96 -0.02 -1.26 -4.78 135.00 131.78 2xai n PRO 284 Ca 0.00 0.45 0.03 0.00 -2.02 0.00 0.00 63.50 61.96 2xai n PRO 284 Cb 0.00 -2.01 0.21 0.00 -0.02 0.00 0.00 33.50 31.68 2xai n PRO 284 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2xai h GLU 285 N 1.40 1.07 -0.05 -0.52 4.57 -2.00 -1.16 114.58 117.89 2xai h GLU 285 Ca -0.44 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 57.69 2xai h GLU 285 Cb 1.34 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 29.69 2xai h GLU 285 CO 0.56 0.71 0.13 0.38 -1.18 0.00 0.00 179.01 179.60 2xai h ASP 286 N 1.10 0.00 0.00 1.04 3.04 -2.00 -1.69 116.42 117.91 2xai h ASP 286 Ca 0.40 0.00 -0.31 0.00 -3.24 0.00 0.00 57.03 53.88 2xai h ASP 286 Cb 0.15 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 38.39 2xai h ASP 286 CO -0.15 0.00 -2.28 0.18 -2.04 0.00 0.00 179.24 174.95 2xai n LEU 287 N -3.32 0.00 -0.05 0.15 4.77 -0.53 -3.26 117.00 114.76 2xai n LEU 287 Ca -0.02 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.98 2xai n LEU 287 Cb 0.21 0.42 0.33 0.00 -2.33 0.00 0.00 43.42 42.05 2xai n LEU 287 CO 0.21 0.42 1.08 0.11 -1.33 0.00 0.00 177.39 177.88 2xai h LYS 288 N 0.00 0.63 0.03 3.23 1.57 -0.79 0.16 116.57 121.39 2xai h LYS 288 Ca -0.46 -0.08 -0.24 0.00 -1.87 0.00 0.00 60.65 58.00 2xai h LYS 288 Cb 2.04 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 34.24 2xai h LYS 288 CO 0.03 0.51 -1.01 1.96 -0.57 0.00 0.00 179.45 180.37 2xai h GLN 289 N 0.63 0.43 -0.07 3.15 4.20 -1.48 -2.74 115.11 119.24 2xai h GLN 289 Ca 0.16 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2xai h GLN 289 Cb 0.10 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 2xai h GLN 289 CO -0.02 1.16 0.04 0.35 -0.67 0.00 0.00 178.83 179.69 2xai h PHE 290 N 0.23 0.09 -0.21 2.96 3.57 -1.48 0.50 116.94 122.60 2xai h PHE 290 Ca -0.10 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.46 2xai h PHE 290 Cb 1.66 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.36 2xai h PHE 290 CO 0.07 0.07 0.25 -0.07 -2.23 0.00 0.00 178.31 176.40 2xai h LEU 291 N 0.08 0.00 -0.92 0.59 3.38 -0.64 -2.66 115.31 115.14 2xai h LEU 291 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2xai h LEU 291 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2xai h LEU 291 CO -0.01 0.00 -0.17 0.18 0.09 0.00 0.00 178.44 178.53 2xai n LEU 292 N -3.69 1.42 -1.62 1.67 4.77 -0.93 -4.95 117.00 113.67 2xai n LEU 292 Ca 0.02 -0.82 -0.04 0.00 -0.03 0.00 0.00 56.01 55.14 2xai n LEU 292 Cb 0.38 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.49 2xai n LEU 292 CO 0.26 0.28 0.03 1.41 -1.33 0.00 0.00 177.39 178.04 2xai n HIS 293 N -0.04 -0.54 -0.01 -1.77 8.25 0.05 -5.06 115.22 116.09 2xai n HIS 293 Ca 0.05 0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 2xai n HIS 293 Cb 0.24 -2.77 0.00 0.00 1.12 0.00 0.00 29.99 28.58 2xai n HIS 293 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26