#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxt s GLN 12 N 0.00 4.00 -1.20 0.00 -1.52 -1.26 -4.19 119.66 115.50 3dxt s GLN 12 Ca 0.00 1.40 -0.26 0.00 -1.95 0.00 0.00 55.36 54.54 3dxt s GLN 12 Cb 0.00 -2.29 0.02 0.00 -0.22 0.00 0.00 33.01 30.51 3dxt s GLN 12 CO 0.00 -0.26 0.71 -1.71 -0.25 0.00 0.00 175.29 173.77 3dxt n ASN 13 N -0.55 -4.40 0.21 5.90 5.15 -1.26 -4.62 115.26 115.69 3dxt n ASN 13 Ca 0.07 -1.16 0.06 0.00 -0.60 0.00 0.00 54.58 52.95 3dxt n ASN 13 Cb 0.51 -2.51 0.48 0.00 -0.53 0.00 0.00 39.78 37.74 3dxt n ASN 13 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3dxt h PRO 14 N -2.26 0.00 -0.00 1.20 0.13 -1.94 -1.95 132.00 127.18 3dxt h PRO 14 Ca -0.69 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 3dxt h PRO 14 Cb 1.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.51 3dxt h PRO 14 CO 0.51 0.28 0.00 0.09 -0.23 0.00 0.00 178.00 178.65 3dxt n ASN 15 N -3.91 0.09 -3.63 1.44 3.02 -1.26 -4.92 115.26 106.10 3dxt n ASN 15 Ca -0.02 -1.09 -0.26 0.00 -0.03 0.00 0.00 54.58 53.18 3dxt n ASN 15 Cb 0.35 -0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.58 3dxt n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dxt s ASN 17 N -3.25 6.24 -0.11 0.00 0.01 -1.26 -4.05 114.94 112.53 3dxt s ASN 17 Ca 0.58 2.17 -0.29 0.00 -0.71 0.00 0.00 52.86 54.61 3dxt s ASN 17 Cb -0.27 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.76 3dxt s ASN 17 CO 0.72 -0.86 1.54 -0.63 -1.51 0.00 0.00 177.10 176.36 3dxt s ILE 18 N -1.67 3.80 0.06 0.60 1.01 -1.26 -4.40 121.20 119.34 3dxt s ILE 18 Ca 0.64 0.96 -0.05 0.00 0.00 0.00 0.00 60.65 62.21 3dxt s ILE 18 Cb -0.25 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 3dxt s ILE 18 CO 0.30 -0.11 0.29 -0.04 0.00 0.00 0.00 174.94 175.37 3dxt s MET 19 N 3.95 3.56 -0.10 2.79 -1.94 -1.26 -4.98 119.30 121.33 3dxt s MET 19 Ca 0.68 -0.16 0.03 0.00 -1.71 0.00 0.00 55.69 54.53 3dxt s MET 19 Cb -0.29 -3.00 0.00 0.00 2.01 0.00 0.00 34.83 33.56 3dxt s MET 19 CO 0.25 0.58 -0.21 0.42 -0.01 0.00 0.00 175.02 176.06 3dxt s ILE 20 N -1.45 1.85 0.01 2.53 1.01 -1.26 -1.55 121.20 122.33 3dxt s ILE 20 Ca 0.33 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 60.17 3dxt s ILE 20 Cb -0.13 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 3dxt s ILE 20 CO 0.21 0.51 -0.22 -0.36 0.00 0.00 0.00 174.94 175.09 3dxt s PHE 21 N 0.52 2.46 -0.59 3.97 0.40 0.12 -4.99 117.98 119.87 3dxt s PHE 21 Ca -0.15 -0.33 0.06 0.00 -0.60 0.00 0.00 56.93 55.91 3dxt s PHE 21 Cb -0.17 -1.49 0.23 0.00 0.51 0.00 0.00 43.02 42.11 3dxt s PHE 21 CO 0.06 0.13 0.64 0.72 0.70 0.00 0.00 175.22 177.46 3dxt n HIS 22 N 1.99 2.53 -1.75 0.36 8.25 -1.26 -0.29 115.22 125.05 3dxt n HIS 22 Ca -0.16 -4.02 -0.39 0.00 -0.26 0.00 0.00 57.72 52.89 3dxt n HIS 22 Cb 0.52 -0.48 0.03 0.00 1.12 0.00 0.00 29.99 31.18 3dxt n HIS 22 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3dxt n PRO 23 N 1.27 1.89 -1.73 -0.41 -0.04 -1.25 -4.98 135.00 129.74 3dxt n PRO 23 Ca 0.26 0.69 -0.30 0.00 -0.04 0.00 0.00 63.50 64.11 3dxt n PRO 23 Cb 0.43 -2.59 0.18 0.00 -0.04 0.00 0.00 33.50 31.48 3dxt n PRO 23 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3dxt s THR 24 N -1.25 1.92 0.13 0.52 -4.23 -1.26 -3.76 115.64 107.70 3dxt s THR 24 Ca 0.68 0.00 -0.19 0.00 -1.18 0.00 0.00 61.69 61.00 3dxt s THR 24 Cb -0.43 -2.88 -0.06 0.00 1.34 0.00 0.00 72.50 70.47 3dxt s THR 24 CO 0.52 0.00 1.78 0.50 -0.54 0.00 0.00 174.62 176.88 3dxt h LYS 25 N -1.75 0.31 -0.54 3.99 1.63 -1.97 -1.51 116.57 116.73 3dxt h LYS 25 Ca -0.45 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.41 3dxt h LYS 25 Cb 1.26 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 32.76 3dxt h LYS 25 CO 0.42 0.21 0.17 0.93 -3.45 0.00 0.00 179.45 177.72 3dxt h GLU 26 N 0.32 0.32 0.00 1.90 5.08 -2.02 -2.45 114.58 117.73 3dxt h GLU 26 Ca 0.09 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3dxt h GLU 26 Cb -0.03 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3dxt h GLU 26 CO -0.02 0.21 -0.28 0.93 -1.00 0.00 0.00 179.01 178.85 3dxt h GLU 27 N 0.33 0.00 -0.00 2.33 5.08 -1.83 -2.75 114.58 117.73 3dxt h GLU 27 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3dxt h GLU 27 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3dxt h GLU 27 CO -0.30 0.28 0.00 0.34 -1.00 0.00 0.00 179.01 178.33 3dxt n PHE 28 N -3.46 0.00 1.23 4.33 7.35 -0.60 -3.94 117.46 122.36 3dxt n PHE 28 Ca -0.00 -0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.82 3dxt n PHE 28 Cb 0.45 0.00 0.46 0.00 0.35 0.00 0.00 39.48 40.75 3dxt n PHE 28 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 3dxt n ASN 29 N -0.83 0.60 -3.49 -2.13 5.15 -1.04 -4.52 115.26 108.99 3dxt n ASN 29 Ca 0.23 -0.49 -0.25 0.00 -0.60 0.00 0.00 54.58 53.47 3dxt n ASN 29 Cb 0.14 0.02 -0.13 0.00 -0.53 0.00 0.00 39.78 39.28 3dxt n ASN 29 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3dxt s ASP 30 N -2.65 2.89 0.09 1.20 3.68 -1.25 -5.04 116.67 115.59 3dxt s ASP 30 Ca 0.22 -1.10 -0.33 0.00 2.13 0.00 0.00 52.55 53.48 3dxt s ASP 30 Cb 0.19 -0.06 -0.15 0.00 -1.45 0.00 0.00 42.92 41.46 3dxt s ASP 30 CO 0.54 -0.42 1.59 0.15 0.13 0.00 0.00 175.17 177.16 3dxt h PHE 31 N 8.36 -1.14 -0.50 -5.34 3.57 -1.87 -1.34 116.94 118.68 3dxt h PHE 31 Ca -0.18 0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.42 3dxt h PHE 31 Cb 1.03 0.44 -0.07 0.00 2.79 0.00 0.00 35.95 40.15 3dxt h PHE 31 CO 0.28 -0.57 0.10 -0.44 -2.23 0.00 0.00 178.31 175.45 3dxt h ASP 32 N -0.85 -0.01 -0.61 0.41 3.45 -1.98 -0.29 116.42 116.53 3dxt h ASP 32 Ca -0.04 0.09 -0.00 0.00 0.43 0.00 0.00 57.03 57.51 3dxt h ASP 32 Cb 0.76 0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 39.62 3dxt h ASP 32 CO -0.06 0.02 0.37 0.50 -1.57 0.00 0.00 179.24 178.50 3dxt h LYS 33 N 0.23 0.83 -0.12 3.56 3.64 -1.94 -0.93 116.57 121.83 3dxt h LYS 33 Ca 0.25 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.43 3dxt h LYS 33 Cb 0.34 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3dxt h LYS 33 CO -0.33 0.59 -0.48 -0.92 -2.27 0.00 0.00 179.45 176.04 3dxt h TYR 34 N 0.83 0.36 -0.37 1.91 3.20 -0.55 -0.80 116.97 121.55 3dxt h TYR 34 Ca 0.22 -0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3dxt h TYR 34 Cb -0.03 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 3dxt h TYR 34 CO -0.02 0.72 0.15 0.82 -1.64 0.00 0.00 178.16 178.19 3dxt h ILE 35 N 0.24 1.19 -0.74 1.81 1.08 -0.57 -1.58 117.51 118.94 3dxt h ILE 35 Ca 0.01 -0.58 0.10 0.00 -0.39 0.00 0.00 64.86 64.01 3dxt h ILE 35 Cb 0.93 0.89 -0.07 0.00 -3.07 0.00 0.00 36.82 35.50 3dxt h ILE 35 CO 0.08 0.21 0.38 0.00 -0.69 0.00 0.00 178.15 178.12 3dxt h ALA 36 N 0.99 1.04 -0.32 1.87 0.00 -1.00 -2.00 119.26 119.84 3dxt h ALA 36 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3dxt h ALA 36 Cb 0.18 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3dxt h ALA 36 CO -0.01 -0.04 0.20 -0.92 0.00 0.00 0.00 179.25 178.49 3dxt h TYR 37 N 0.63 0.41 -0.62 0.00 5.03 -0.87 -0.48 116.97 121.08 3dxt h TYR 37 Ca 0.37 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.76 3dxt h TYR 37 Cb 0.40 -0.14 -0.06 0.00 1.55 0.00 0.00 36.73 38.48 3dxt h TYR 37 CO -0.10 0.28 0.29 0.52 -1.32 0.00 0.00 178.16 177.83 3dxt h MET 38 N 0.42 0.51 -0.54 1.82 2.86 -0.84 -1.72 114.93 117.44 3dxt h MET 38 Ca 0.12 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3dxt h MET 38 Cb -0.02 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 3dxt h MET 38 CO -0.02 0.34 0.16 0.93 1.06 0.00 0.00 176.91 179.38 3dxt h GLU 39 N 0.52 0.80 0.00 1.72 5.08 -1.04 -1.05 114.58 120.62 3dxt h GLU 39 Ca 0.29 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3dxt h GLU 39 Cb 0.28 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3dxt h GLU 39 CO -0.24 0.70 -0.11 0.66 -1.00 0.00 0.00 179.01 179.02 3dxt h SER 40 N 0.78 0.00 -0.09 1.42 4.64 -0.22 0.86 113.55 120.94 3dxt h SER 40 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 3dxt h SER 40 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3dxt h SER 40 CO -0.01 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 3dxt n GLN 41 N -3.71 1.69 -0.82 4.77 1.13 -0.50 -4.90 117.38 115.04 3dxt n GLN 41 Ca -0.02 -1.02 0.00 0.00 -1.94 0.00 0.00 57.00 54.02 3dxt n GLN 41 Cb 0.21 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.13 3dxt n GLN 41 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dxt n GLY 42 N 1.15 0.51 0.37 1.08 0.00 0.30 -4.14 105.19 104.45 3dxt n GLY 42 Ca 0.18 -0.73 0.02 0.00 0.00 0.00 0.00 46.02 45.48 3dxt n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxt h ALA 43 N 0.00 1.44 0.00 4.61 0.00 -1.46 -2.60 119.26 121.26 3dxt h ALA 43 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3dxt h ALA 43 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3dxt h ALA 43 CO 0.00 0.45 -0.05 1.12 0.00 0.00 0.00 179.25 180.77 3dxt h HIS 44 N 1.11 0.00 -0.49 0.00 2.07 -1.85 -2.63 115.15 113.36 3dxt h HIS 44 Ca 0.37 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.94 3dxt h HIS 44 Cb 0.06 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.01 3dxt h HIS 44 CO -0.00 0.05 0.33 0.00 -3.07 0.00 0.00 177.93 175.24 3dxt h ARG 45 N 0.00 0.43 0.00 5.12 2.47 -1.80 -0.06 114.38 120.54 3dxt h ARG 45 Ca -0.00 -0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.61 3dxt h ARG 45 Cb 0.28 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 3dxt h ARG 45 CO 0.01 0.28 -0.38 0.00 0.56 0.00 0.00 179.97 180.44 3dxt h ALA 46 N 1.73 0.98 0.00 0.04 0.00 -1.61 -3.34 119.26 117.07 3dxt h ALA 46 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3dxt h ALA 46 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3dxt h ALA 46 CO -0.05 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.08 3dxt n GLY 47 N 0.27 1.94 3.19 0.00 0.00 -0.04 -3.62 105.19 106.94 3dxt n GLY 47 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3dxt n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dxt s LEU 48 N 0.00 0.93 0.08 0.99 2.96 -1.26 -1.25 118.68 121.12 3dxt s LEU 48 Ca 0.00 0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 3dxt s LEU 48 Cb 0.00 1.05 -0.04 0.00 0.50 0.00 0.00 46.19 47.71 3dxt s LEU 48 CO 0.00 -0.22 -0.07 0.00 -1.32 0.00 0.00 176.35 174.75 3dxt s ALA 49 N -0.37 0.80 -0.09 5.97 0.00 0.01 -4.26 121.76 123.81 3dxt s ALA 49 Ca -0.05 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 3dxt s ALA 49 Cb -0.03 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 3dxt s ALA 49 CO 0.02 -0.18 -0.01 0.21 0.00 0.00 0.00 175.76 175.79 3dxt s LYS 50 N -3.12 3.06 -0.14 0.00 2.20 -0.60 -1.07 119.74 120.06 3dxt s LYS 50 Ca 0.04 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 3dxt s LYS 50 Cb 0.01 -2.79 0.02 0.00 -1.51 0.00 0.00 37.83 33.56 3dxt s LYS 50 CO -0.04 0.63 -0.14 0.42 -0.36 0.00 0.00 175.35 175.87 3dxt s ILE 51 N -0.68 1.53 -0.31 5.43 1.09 -0.25 -0.70 121.20 127.30 3dxt s ILE 51 Ca 0.11 -0.61 -0.17 0.00 -1.10 0.00 0.00 60.65 58.88 3dxt s ILE 51 Cb -0.12 -1.44 -0.02 0.00 -1.06 0.00 0.00 42.46 39.83 3dxt s ILE 51 CO 0.02 0.45 0.49 -0.63 -0.10 0.00 0.00 174.94 175.17 3dxt s ILE 52 N 1.49 5.06 0.77 2.92 -1.09 0.60 -1.45 121.20 129.50 3dxt s ILE 52 Ca 0.05 0.52 -0.13 0.00 -2.23 0.00 0.00 60.65 58.85 3dxt s ILE 52 Cb -0.13 -3.88 0.06 0.00 -1.58 0.00 0.00 42.46 36.93 3dxt s ILE 52 CO -0.10 -0.08 1.16 -2.84 -1.23 0.00 0.00 174.94 171.85 3dxt s PRO 53 N 2.32 1.98 0.45 2.79 0.02 -1.26 -3.92 135.00 137.36 3dxt s PRO 53 Ca 0.19 1.58 -0.23 0.00 0.02 0.00 0.00 61.00 62.56 3dxt s PRO 53 Cb -0.16 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.43 3dxt s PRO 53 CO 0.12 -1.92 0.96 -0.35 -0.33 0.00 0.00 177.00 175.47 3dxt n PRO 54 N -3.14 1.22 -0.17 5.54 -0.04 -1.25 -4.87 135.00 132.30 3dxt n PRO 54 Ca 0.12 0.44 0.28 0.00 -0.04 0.00 0.00 63.50 64.31 3dxt n PRO 54 Cb 0.51 -2.01 0.72 0.00 -0.04 0.00 0.00 33.50 32.68 3dxt n PRO 54 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3dxt h LYS 55 N 1.33 0.00 0.00 0.54 2.10 -1.92 -1.80 116.57 116.82 3dxt h LYS 55 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3dxt h LYS 55 Cb 1.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.68 3dxt h LYS 55 CO 0.55 0.00 -0.18 1.05 -2.00 0.00 0.00 179.45 178.87 3dxt h GLU 56 N 0.00 0.00 -6.97 0.07 9.09 -2.01 -3.47 114.58 111.29 3dxt h GLU 56 Ca 0.42 0.00 -0.48 0.00 0.05 0.00 0.00 59.36 59.35 3dxt h GLU 56 Cb 1.70 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.81 3dxt h GLU 56 CO -0.00 0.00 0.40 -0.46 0.05 0.00 0.00 179.01 179.00 3dxt s TRP 57 N -3.20 3.26 0.01 2.06 -0.00 -0.68 -5.08 118.94 115.31 3dxt s TRP 57 Ca 0.07 1.64 -0.03 0.00 -0.00 0.00 0.00 56.10 57.78 3dxt s TRP 57 Cb 0.08 -3.10 -0.01 0.00 -0.00 0.00 0.00 33.47 30.44 3dxt s TRP 57 CO 0.67 -0.60 0.04 0.15 -0.00 0.00 0.00 176.95 177.21 3dxt s LYS 58 N -2.58 0.35 0.03 5.86 1.02 -1.26 -4.95 119.74 118.20 3dxt s LYS 58 Ca 0.59 -0.45 -0.19 0.00 0.02 0.00 0.00 55.97 55.94 3dxt s LYS 58 Cb -0.21 0.13 -0.19 0.00 -0.52 0.00 0.00 37.83 37.04 3dxt s LYS 58 CO 0.26 -0.07 1.19 0.00 -0.92 0.00 0.00 175.35 175.82 3dxt h ALA 59 N 4.68 0.16 -2.98 5.17 0.00 -1.96 -3.47 119.26 120.86 3dxt h ALA 59 Ca -0.31 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.13 3dxt h ALA 59 Cb 1.20 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 3dxt h ALA 59 CO 0.42 0.34 0.19 -0.98 0.00 0.00 0.00 179.25 179.22 3dxt s ARG 60 N -3.58 1.85 0.05 0.00 1.70 -1.26 -1.51 118.95 116.20 3dxt s ARG 60 Ca -0.13 -1.11 -0.27 0.00 -0.47 0.00 0.00 55.73 53.75 3dxt s ARG 60 Cb 0.05 0.59 -0.17 0.00 -0.57 0.00 0.00 34.95 34.85 3dxt s ARG 60 CO 0.82 -0.84 1.53 1.49 -1.08 0.00 0.00 175.30 177.21 3dxt h GLU 61 N 2.03 -0.40 -3.60 3.89 4.57 -1.94 -3.48 114.58 115.65 3dxt h GLU 61 Ca -0.22 0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 57.91 3dxt h GLU 61 Cb 1.25 0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 29.85 3dxt h GLU 61 CO 0.28 -0.18 -0.06 0.95 -1.18 0.00 0.00 179.01 178.82 3dxt s THR 62 N -5.57 0.00 -0.20 0.32 -4.23 -1.26 -5.06 115.64 99.63 3dxt s THR 62 Ca -0.15 -1.36 0.13 0.00 -1.18 0.00 0.00 61.69 59.13 3dxt s THR 62 Cb 0.04 -2.31 0.40 0.00 1.34 0.00 0.00 72.50 71.97 3dxt s THR 62 CO 0.61 0.00 1.26 -1.22 -0.54 0.00 0.00 174.62 174.73 3dxt n TYR 63 N -0.43 0.26 0.37 3.99 4.02 -1.26 -4.77 117.16 119.34 3dxt n TYR 63 Ca -0.02 -1.32 0.13 0.00 -0.01 0.00 0.00 57.90 56.69 3dxt n TYR 63 Cb 0.61 -0.27 0.37 0.00 -0.02 0.00 0.00 39.34 40.04 3dxt n TYR 63 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 3dxt h ASP 64 N 0.76 0.00 -0.48 7.72 3.32 -2.03 -3.32 116.42 122.39 3dxt h ASP 64 Ca 0.04 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.78 3dxt h ASP 64 Cb 1.15 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.50 3dxt h ASP 64 CO 0.08 0.00 -0.28 0.59 -1.72 0.00 0.00 179.24 177.92 3dxt n ASN 65 N -2.75 3.58 -0.78 6.45 4.13 -1.26 -4.69 115.26 119.94 3dxt n ASN 65 Ca 0.04 -3.80 0.12 0.00 1.68 0.00 0.00 54.58 52.61 3dxt n ASN 65 Cb 0.42 -0.57 0.06 0.00 -1.54 0.00 0.00 39.78 38.16 3dxt n ASN 65 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 3dxt n ILE 66 N -0.98 0.00 0.29 2.41 -5.35 -1.25 -4.58 119.36 109.90 3dxt n ILE 66 Ca 0.37 -0.41 0.16 0.00 -0.27 0.00 0.00 62.75 62.60 3dxt n ILE 66 Cb 0.92 1.41 0.90 0.00 -1.74 0.00 0.00 39.64 41.13 3dxt n ILE 66 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3dxt h SER 67 N 3.83 0.00 0.31 7.28 0.02 -1.88 -2.95 113.55 120.15 3dxt h SER 67 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dxt h SER 67 Cb 0.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.44 3dxt h SER 67 CO 0.00 0.04 -0.53 -0.62 -1.14 0.00 0.00 176.83 174.58 3dxt n GLU 68 N -3.52 0.28 -1.69 3.45 -0.58 -1.26 -1.54 120.64 115.78 3dxt n GLU 68 Ca -0.02 -0.18 -0.43 0.00 -0.42 0.00 0.00 57.16 56.10 3dxt n GLU 68 Cb 0.16 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.52 3dxt n GLU 68 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3dxt n ILE 69 N -1.20 1.79 -4.10 -3.67 5.41 -1.12 -4.81 119.36 111.66 3dxt n ILE 69 Ca 0.07 -0.45 -0.35 0.00 1.00 0.00 0.00 62.75 63.02 3dxt n ILE 69 Cb 0.35 -1.52 -0.09 0.00 -0.71 0.00 0.00 39.64 37.66 3dxt n ILE 69 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 3dxt s LEU 70 N -0.72 3.81 -0.67 1.39 1.98 -1.26 -1.07 118.68 122.15 3dxt s LEU 70 Ca 0.58 0.15 -0.13 0.00 -2.89 0.00 0.00 54.13 51.83 3dxt s LEU 70 Cb -0.59 -1.93 0.17 0.00 0.66 0.00 0.00 46.19 44.50 3dxt s LEU 70 CO 0.60 0.26 0.60 -0.63 -1.89 0.00 0.00 176.35 175.29 3dxt s ILE 71 N -0.17 5.15 0.22 6.68 1.01 0.27 -4.94 121.20 129.42 3dxt s ILE 71 Ca 0.07 -2.09 -0.09 0.00 0.00 0.00 0.00 60.65 58.54 3dxt s ILE 71 Cb -0.12 -4.25 0.17 0.00 0.01 0.00 0.00 42.46 38.27 3dxt s ILE 71 CO 0.01 -0.93 1.88 0.00 0.00 0.00 0.00 174.94 175.91 3dxt h ALA 72 N 8.19 1.01 -2.48 9.38 0.00 -1.96 -2.40 119.26 131.00 3dxt h ALA 72 Ca -0.08 -0.05 -0.59 0.00 0.00 0.00 0.00 54.91 54.18 3dxt h ALA 72 Cb 1.06 -0.31 -0.39 0.00 0.00 0.00 0.00 17.79 18.15 3dxt h ALA 72 CO 0.86 0.39 -0.91 0.99 0.00 0.00 0.00 179.25 180.58 3dxt s THR 73 N -6.13 0.71 0.65 0.00 2.01 -1.26 -3.44 115.64 108.17 3dxt s THR 73 Ca -0.13 -2.86 -0.18 0.00 0.31 0.00 0.00 61.69 58.84 3dxt s THR 73 Cb 0.16 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.16 3dxt s THR 73 CO 0.79 -1.19 1.24 -2.84 -0.69 0.00 0.00 174.62 171.92 3dxt s PRO 74 N -0.13 2.61 -0.12 4.92 0.02 -1.26 -4.71 135.00 136.34 3dxt s PRO 74 Ca 0.31 1.91 0.01 0.00 0.02 0.00 0.00 61.00 63.25 3dxt s PRO 74 Cb 0.02 -1.87 0.02 0.00 0.02 0.00 0.00 34.50 32.68 3dxt s PRO 74 CO -0.19 -1.51 -0.12 -0.51 -0.33 0.00 0.00 177.00 174.34 3dxt s LEU 75 N -4.44 1.54 -0.21 -5.54 1.43 -0.04 -0.53 118.68 110.88 3dxt s LEU 75 Ca 0.79 -0.39 -0.17 0.00 -1.03 0.00 0.00 54.13 53.32 3dxt s LEU 75 Cb -0.33 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 3dxt s LEU 75 CO 0.39 -0.04 0.48 -1.58 0.23 0.00 0.00 176.35 175.82 3dxt s GLN 76 N 1.32 4.16 -0.60 1.70 0.74 0.36 -0.29 119.66 127.05 3dxt s GLN 76 Ca -0.01 0.32 -0.20 0.00 0.05 0.00 0.00 55.36 55.53 3dxt s GLN 76 Cb -0.14 -3.58 0.10 0.00 1.10 0.00 0.00 33.01 30.49 3dxt s GLN 76 CO -0.06 -0.16 0.75 -0.65 -0.55 0.00 0.00 175.29 174.63 3dxt s GLN 77 N 1.69 3.06 -0.23 1.67 -0.21 0.04 -0.80 119.66 124.87 3dxt s GLN 77 Ca 0.22 -1.22 -0.11 0.00 0.02 0.00 0.00 55.36 54.26 3dxt s GLN 77 Cb -0.15 -4.26 -0.05 0.00 1.00 0.00 0.00 33.01 29.55 3dxt s GLN 77 CO 0.09 -1.59 0.19 0.08 -2.12 0.00 0.00 175.29 171.93 3dxt s VAL 78 N 2.95 5.35 0.07 1.09 1.01 -0.09 -4.01 120.40 126.77 3dxt s VAL 78 Ca 0.14 0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.34 3dxt s VAL 78 Cb -0.23 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3dxt s VAL 78 CO 0.07 0.35 0.25 0.00 0.00 0.00 0.00 175.10 175.76 3dxt s ALA 79 N 1.00 3.95 -0.02 5.51 0.00 -1.26 -0.73 121.76 130.21 3dxt s ALA 79 Ca 0.09 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3dxt s ALA 79 Cb -0.13 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.07 3dxt s ALA 79 CO 0.04 0.77 -0.06 -1.12 0.00 0.00 0.00 175.76 175.39 3dxt s SER 80 N -2.37 0.87 0.00 0.00 0.01 -0.13 -4.99 113.70 107.09 3dxt s SER 80 Ca 0.35 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.48 3dxt s SER 80 Cb -0.13 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.90 3dxt s SER 80 CO 0.25 0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.56 3dxt n GLY 81 N 3.23 0.37 3.54 3.44 0.00 -1.26 -1.31 105.19 113.20 3dxt n GLY 81 Ca -0.17 -1.55 -0.25 0.00 0.00 0.00 0.00 46.02 44.05 3dxt n GLY 81 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dxt s ARG 82 N -1.30 1.81 0.24 1.61 1.70 -0.36 -4.99 118.95 117.67 3dxt s ARG 82 Ca 0.00 -2.00 -0.07 0.00 -0.47 0.00 0.00 55.73 53.19 3dxt s ARG 82 Cb 0.00 -1.38 0.42 0.00 -0.57 0.00 0.00 34.95 33.41 3dxt s ARG 82 CO 0.00 -0.05 1.66 0.00 -1.08 0.00 0.00 175.30 175.83 3dxt h ALA 83 N 1.95 0.80 -0.01 7.88 0.00 -1.91 -2.57 119.26 125.41 3dxt h ALA 83 Ca -0.42 0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3dxt h ALA 83 Cb 1.24 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3dxt h ALA 83 CO 0.75 -0.39 -0.47 0.41 0.00 0.00 0.00 179.25 179.55 3dxt n GLY 84 N -1.38 -0.37 2.74 0.00 0.00 -1.26 -4.76 105.19 100.16 3dxt n GLY 84 Ca 0.13 -0.54 -0.18 0.00 0.00 0.00 0.00 46.02 45.42 3dxt n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dxt s VAL 85 N -2.58 -0.36 0.09 1.61 1.01 -0.97 -0.90 120.40 118.31 3dxt s VAL 85 Ca 0.19 -0.55 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 3dxt s VAL 85 Cb 0.18 -0.97 -0.00 0.00 0.00 0.00 0.00 36.38 35.59 3dxt s VAL 85 CO 0.60 -0.50 0.18 0.72 0.00 0.00 0.00 175.10 176.10 3dxt s PHE 86 N 2.27 0.19 0.30 5.22 -0.71 -0.83 -1.22 117.98 123.20 3dxt s PHE 86 Ca 0.10 -0.62 0.09 0.00 -1.04 0.00 0.00 56.93 55.45 3dxt s PHE 86 Cb -0.14 -0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.55 3dxt s PHE 86 CO -0.31 -0.55 0.09 0.95 -1.34 0.00 0.00 175.22 174.06 3dxt s THR 87 N -3.87 3.30 0.05 -4.49 -4.23 -0.43 -0.76 115.64 105.21 3dxt s THR 87 Ca 0.06 -1.76 0.03 0.00 -1.18 0.00 0.00 61.69 58.85 3dxt s THR 87 Cb 0.05 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 3dxt s THR 87 CO -0.10 -0.27 -0.10 0.00 -0.54 0.00 0.00 174.62 173.61 3dxt s GLN 88 N -3.78 0.65 0.30 3.99 -2.07 -0.36 -0.95 119.66 117.43 3dxt s GLN 88 Ca 0.35 -0.82 0.10 0.00 -1.82 0.00 0.00 55.36 53.17 3dxt s GLN 88 Cb -0.04 -0.52 -0.06 0.00 -1.09 0.00 0.00 33.01 31.30 3dxt s GLN 88 CO 0.22 0.11 -0.13 1.52 -1.32 0.00 0.00 175.29 175.68 3dxt s TYR 89 N -1.29 2.23 -0.30 9.60 -0.85 0.09 -4.73 117.35 122.10 3dxt s TYR 89 Ca -0.06 -0.48 -0.06 0.00 -0.52 0.00 0.00 57.07 55.95 3dxt s TYR 89 Cb -0.10 -1.15 0.02 0.00 0.38 0.00 0.00 41.96 41.11 3dxt s TYR 89 CO 0.01 0.56 0.07 -1.01 -1.52 0.00 0.00 175.55 173.66 3dxt s HIS 90 N -2.67 3.17 -0.19 -3.49 3.76 -1.26 -0.91 115.29 113.69 3dxt s HIS 90 Ca 0.30 -1.17 -0.13 0.00 -0.15 0.00 0.00 55.06 53.91 3dxt s HIS 90 Cb -0.00 -2.24 -0.05 0.00 1.11 0.00 0.00 32.58 31.41 3dxt s HIS 90 CO 0.14 -0.64 0.27 0.21 -0.85 0.00 0.00 174.74 173.88 3dxt s LYS 91 N 1.45 4.20 0.06 1.40 2.20 0.02 -4.89 119.74 124.19 3dxt s LYS 91 Ca 0.01 0.02 -0.30 0.00 -0.36 0.00 0.00 55.97 55.34 3dxt s LYS 91 Cb -0.18 -3.47 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 3dxt s LYS 91 CO 0.02 0.15 1.11 0.15 -0.36 0.00 0.00 175.35 176.42 3dxt s LYS 92 N 0.75 4.51 0.39 4.03 1.02 -1.26 -0.48 119.74 128.69 3dxt s LYS 92 Ca 0.15 1.64 0.08 0.00 0.02 0.00 0.00 55.97 57.85 3dxt s LYS 92 Cb -0.13 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 33.78 3dxt s LYS 92 CO 0.04 -0.12 0.34 0.15 -0.92 0.00 0.00 175.35 174.84 3dxt s LYS 93 N 0.78 2.56 0.57 1.68 -0.14 0.31 -4.93 119.74 120.57 3dxt s LYS 93 Ca 0.55 -1.49 -0.19 0.00 -1.36 0.00 0.00 55.97 53.48 3dxt s LYS 93 Cb -0.27 -2.38 -0.04 0.00 -1.68 0.00 0.00 37.83 33.46 3dxt s LYS 93 CO 0.30 -0.10 1.16 0.15 -0.76 0.00 0.00 175.35 176.10 3dxt s LYS 94 N -4.07 3.14 0.56 1.68 1.02 -1.26 -4.06 119.74 116.75 3dxt s LYS 94 Ca 0.45 1.69 -0.20 0.00 0.02 0.00 0.00 55.97 57.94 3dxt s LYS 94 Cb -0.04 -1.97 -0.06 0.00 -0.52 0.00 0.00 37.83 35.25 3dxt s LYS 94 CO 0.27 -1.04 1.05 0.00 -0.92 0.00 0.00 175.35 174.72 3dxt n ALA 95 N -1.51 0.47 -3.09 5.17 0.00 -1.22 -4.52 120.51 115.81 3dxt n ALA 95 Ca 0.12 0.07 -0.12 0.00 0.00 0.00 0.00 53.44 53.52 3dxt n ALA 95 Cb 0.50 -2.15 -0.08 0.00 0.00 0.00 0.00 19.45 17.72 3dxt n ALA 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dxt s MET 96 N -2.64 0.78 0.78 0.00 0.23 -0.90 -5.02 119.30 112.53 3dxt s MET 96 Ca 0.72 -0.40 -0.11 0.00 -1.03 0.00 0.00 55.69 54.87 3dxt s MET 96 Cb -0.44 0.34 0.06 0.00 -1.53 0.00 0.00 34.83 33.26 3dxt s MET 96 CO 0.49 -0.24 1.10 0.95 -2.03 0.00 0.00 175.02 175.29 3dxt s THR 97 N -2.19 3.17 0.24 3.16 -4.23 -1.26 -0.56 115.64 113.97 3dxt s THR 97 Ca -0.07 0.38 -0.07 0.00 -1.18 0.00 0.00 61.69 60.75 3dxt s THR 97 Cb -0.02 -3.18 0.23 0.00 1.34 0.00 0.00 72.50 70.87 3dxt s THR 97 CO -0.01 -0.50 1.90 0.58 -0.54 0.00 0.00 174.62 176.06 3dxt h VAL 98 N -0.99 1.20 -0.53 2.29 2.07 -1.00 0.91 116.25 120.21 3dxt h VAL 98 Ca -0.46 -0.42 0.09 0.00 0.82 0.00 0.00 66.70 66.73 3dxt h VAL 98 Cb 1.26 -0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 3dxt h VAL 98 CO 0.60 0.22 0.11 1.23 0.02 0.00 0.00 177.57 179.76 3dxt h GLY 99 N 1.21 0.66 1.15 2.17 0.00 -1.55 0.31 103.07 107.02 3dxt h GLY 99 Ca 0.35 -0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.53 3dxt h GLY 99 CO -0.10 -0.08 -0.19 0.83 0.00 0.00 0.00 176.54 177.01 3dxt h GLU 100 N 0.25 0.98 -0.36 4.80 5.08 -1.65 -2.33 114.58 121.34 3dxt h GLU 100 Ca 0.27 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3dxt h GLU 100 Cb 0.37 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3dxt h GLU 100 CO -0.34 1.07 0.13 -0.92 -1.00 0.00 0.00 179.01 177.95 3dxt h TYR 101 N 0.85 0.57 -0.44 4.33 5.03 -0.34 -1.20 116.97 125.77 3dxt h TYR 101 Ca 0.12 -0.05 0.03 0.00 2.58 0.00 0.00 58.73 61.40 3dxt h TYR 101 Cb 0.76 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.84 3dxt h TYR 101 CO 0.05 0.53 0.24 -0.09 -1.32 0.00 0.00 178.16 177.57 3dxt h ARG 102 N 0.44 0.47 -0.95 1.82 2.43 -0.31 0.16 114.38 118.44 3dxt h ARG 102 Ca 0.12 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.29 3dxt h ARG 102 Cb 0.22 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.60 3dxt h ARG 102 CO -0.01 0.31 0.62 1.25 -1.51 0.00 0.00 179.97 180.63 3dxt h HIS 103 N 0.49 1.16 -0.08 2.20 2.76 -1.18 -1.79 115.15 118.71 3dxt h HIS 103 Ca 0.18 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 3dxt h HIS 103 Cb 0.05 -0.39 -0.00 0.00 1.55 0.00 0.00 27.41 28.62 3dxt h HIS 103 CO -0.08 0.67 0.02 1.25 -1.30 0.00 0.00 177.93 178.49 3dxt h LEU 104 N 1.20 0.12 -1.25 0.26 6.46 -0.46 -2.65 115.31 118.98 3dxt h LEU 104 Ca 0.37 -0.24 0.22 0.00 -0.12 0.00 0.00 57.88 58.11 3dxt h LEU 104 Cb -0.01 -0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 39.79 3dxt h LEU 104 CO -0.12 0.34 0.62 0.00 -0.62 0.00 0.00 178.44 178.66 3dxt h ALA 105 N 0.79 1.99 -0.01 1.25 0.00 -0.28 -1.74 119.26 121.26 3dxt h ALA 105 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dxt h ALA 105 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3dxt h ALA 105 CO 0.00 -0.35 -0.08 0.09 0.00 0.00 0.00 179.25 178.91 3dxt n ASN 106 N -4.66 1.05 -4.79 0.00 3.02 -0.71 -2.71 115.26 106.45 3dxt n ASN 106 Ca 0.23 -1.14 -0.30 0.00 -0.03 0.00 0.00 54.58 53.33 3dxt n ASN 106 Cb 0.70 0.02 0.08 0.00 -0.61 0.00 0.00 39.78 39.98 3dxt n ASN 106 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3dxt s SER 107 N -2.20 4.72 0.26 6.41 1.04 -0.66 -4.60 113.70 118.67 3dxt s SER 107 Ca 0.34 1.53 -0.02 0.00 0.48 0.00 0.00 55.95 58.28 3dxt s SER 107 Cb 0.21 -2.31 0.51 0.00 0.10 0.00 0.00 66.02 64.53 3dxt s SER 107 CO 0.41 -1.86 1.75 0.11 0.98 0.00 0.00 173.24 174.63 3dxt h LYS 108 N -1.01 0.53 -0.82 4.02 1.57 -1.92 0.86 116.57 119.80 3dxt h LYS 108 Ca -0.45 -0.03 0.10 0.00 -1.87 0.00 0.00 60.65 58.39 3dxt h LYS 108 Cb 1.24 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 33.36 3dxt h LYS 108 CO 0.56 0.35 0.46 -0.22 -0.57 0.00 0.00 179.45 180.04 3dxt h LYS 109 N 0.54 0.75 -0.00 3.15 3.64 -1.92 -3.31 116.57 119.42 3dxt h LYS 109 Ca 0.45 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 3dxt h LYS 109 Cb 0.66 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3dxt h LYS 109 CO -0.38 0.49 -0.16 0.66 -2.27 0.00 0.00 179.45 177.79 3dxt n TYR 110 N -4.76 0.00 -2.19 1.91 4.02 -0.83 -5.06 117.16 110.25 3dxt n TYR 110 Ca 0.14 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.66 3dxt n TYR 110 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.61 3dxt n TYR 110 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 3dxt s GLN 111 N -1.13 3.49 0.19 -0.72 -2.07 0.24 -4.32 119.66 115.34 3dxt s GLN 111 Ca 0.06 1.76 -0.32 0.00 -1.82 0.00 0.00 55.36 55.04 3dxt s GLN 111 Cb 0.06 -2.21 -0.15 0.00 -1.09 0.00 0.00 33.01 29.62 3dxt s GLN 111 CO 0.18 -0.77 1.26 2.41 -1.32 0.00 0.00 175.29 177.05 3dxt n THR 112 N -0.92 0.85 -1.62 3.63 -1.04 -1.26 -4.97 114.28 108.95 3dxt n THR 112 Ca 0.10 -0.21 -0.31 0.00 -2.04 0.00 0.00 64.05 61.58 3dxt n THR 112 Cb 0.49 -1.06 0.04 0.00 -1.82 0.00 0.00 70.33 67.99 3dxt n THR 112 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3dxt s PRO 113 N -0.32 3.02 0.51 -2.82 0.04 -1.26 -5.00 135.00 129.17 3dxt s PRO 113 Ca 0.72 0.94 -0.23 0.00 0.04 0.00 0.00 61.00 62.47 3dxt s PRO 113 Cb -0.79 -2.00 -0.06 0.00 0.04 0.00 0.00 34.50 31.69 3dxt s PRO 113 CO 0.51 -1.03 1.35 -1.25 0.04 0.00 0.00 177.00 176.61 3dxt s PRO 114 N -5.03 3.39 0.09 0.56 0.04 -1.26 -5.01 135.00 127.77 3dxt s PRO 114 Ca 0.58 2.22 -0.21 0.00 0.04 0.00 0.00 61.00 63.63 3dxt s PRO 114 Cb -0.14 -2.40 0.05 0.00 0.04 0.00 0.00 34.50 32.06 3dxt s PRO 114 CO 0.54 -0.99 0.50 -3.38 0.04 0.00 0.00 177.00 173.71 3dxt s HIS 115 N -1.30 -0.38 0.10 0.56 -3.43 -1.26 -5.04 115.29 104.54 3dxt s HIS 115 Ca 0.67 0.29 -0.14 0.00 -0.80 0.00 0.00 55.06 55.08 3dxt s HIS 115 Cb -0.40 0.35 -0.10 0.00 -1.43 0.00 0.00 32.58 31.01 3dxt s HIS 115 CO 0.48 -0.69 1.39 1.96 -2.00 0.00 0.00 174.74 175.88 3dxt h GLN 116 N 2.56 0.75 -2.30 -0.38 1.08 -1.95 -3.49 115.11 111.38 3dxt h GLN 116 Ca -0.32 -0.45 0.28 0.00 -1.45 0.00 0.00 58.65 56.70 3dxt h GLN 116 Cb 1.24 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 28.66 3dxt h GLN 116 CO 0.42 1.08 0.79 0.54 -0.95 0.00 0.00 178.83 180.71 3dxt s ASN 117 N -6.72 0.01 0.27 1.46 6.03 -1.26 -5.01 114.94 109.72 3dxt s ASN 117 Ca -0.12 -0.38 -0.01 0.00 -1.03 0.00 0.00 52.86 51.32 3dxt s ASN 117 Cb 0.09 0.28 0.52 0.00 -3.03 0.00 0.00 41.25 39.10 3dxt s ASN 117 CO 0.85 -0.55 1.80 -0.26 -2.03 0.00 0.00 177.10 176.91 3dxt h PHE 118 N 2.00 0.95 -0.51 1.54 0.05 -2.00 -1.77 116.94 117.20 3dxt h PHE 118 Ca -0.24 0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.54 3dxt h PHE 118 Cb 1.20 -0.29 -0.02 0.00 2.00 0.00 0.00 35.95 38.84 3dxt h PHE 118 CO 1.43 0.33 0.16 1.49 -0.18 0.00 0.00 178.31 181.54 3dxt h GLU 119 N 0.81 0.79 -0.52 1.51 4.81 -1.99 -1.21 114.58 118.78 3dxt h GLU 119 Ca 0.47 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.56 3dxt h GLU 119 Cb 0.54 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 3dxt h GLU 119 CO -0.30 0.73 0.29 0.22 -0.73 0.00 0.00 179.01 179.23 3dxt h ASP 120 N 0.69 0.45 -0.74 1.04 -0.00 -1.84 -1.23 116.42 114.79 3dxt h ASP 120 Ca 0.16 0.01 -0.06 0.00 -0.00 0.00 0.00 57.03 57.15 3dxt h ASP 120 Cb 0.27 -0.08 -0.03 0.00 -0.00 0.00 0.00 39.33 39.49 3dxt h ASP 120 CO -0.01 0.32 0.24 -0.07 -0.00 0.00 0.00 179.24 179.72 3dxt h LEU 121 N 0.57 1.07 -0.65 2.28 3.38 -1.06 -1.82 115.31 119.08 3dxt h LEU 121 Ca 0.22 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3dxt h LEU 121 Cb 0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3dxt h LEU 121 CO -0.12 0.99 0.39 -0.08 0.09 0.00 0.00 178.44 179.71 3dxt h GLU 122 N 1.10 0.89 0.05 1.13 4.81 -1.03 0.11 114.58 121.64 3dxt h GLU 122 Ca 0.24 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.40 3dxt h GLU 122 Cb 0.29 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3dxt h GLU 122 CO -0.01 0.64 -0.14 -0.09 -0.73 0.00 0.00 179.01 178.68 3dxt h ARG 123 N 0.89 -0.25 -0.96 1.92 2.43 -0.92 -2.04 114.38 115.45 3dxt h ARG 123 Ca 0.23 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 3dxt h ARG 123 Cb -0.02 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.53 3dxt h ARG 123 CO -0.04 -0.17 0.62 0.87 -1.51 0.00 0.00 179.97 179.74 3dxt h LYS 124 N -0.26 1.16 0.31 0.20 1.57 -0.96 -0.97 116.57 117.62 3dxt h LYS 124 Ca 0.03 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3dxt h LYS 124 Cb 0.29 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3dxt h LYS 124 CO -0.10 0.77 -0.24 -0.92 -0.57 0.00 0.00 179.45 178.38 3dxt h TYR 125 N 1.20 -0.64 0.00 -1.35 3.20 -0.60 0.02 116.97 118.79 3dxt h TYR 125 Ca 0.39 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.15 3dxt h TYR 125 Cb 0.03 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 3dxt h TYR 125 CO -0.01 -0.37 -0.52 -1.49 -1.64 0.00 0.00 178.16 174.14 3dxt h TRP 126 N -0.56 0.00 -0.33 -3.82 4.06 -1.11 0.16 115.95 114.36 3dxt h TRP 126 Ca -0.02 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.77 3dxt h TRP 126 Cb 0.49 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.65 3dxt h TRP 126 CO -0.13 0.52 -0.41 -0.22 -3.56 0.00 0.00 178.44 174.64 3dxt h LYS 127 N 0.00 0.86 0.00 0.49 3.64 -1.02 -3.41 116.57 117.13 3dxt h LYS 127 Ca -0.01 -0.48 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3dxt h LYS 127 Cb 1.03 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3dxt h LYS 127 CO 0.07 1.12 -1.15 0.09 -2.27 0.00 0.00 179.45 177.31 3dxt n ASN 128 N -4.10 3.05 -0.31 4.20 3.02 -0.02 -4.74 115.26 116.36 3dxt n ASN 128 Ca -0.03 -0.09 0.14 0.00 -0.03 0.00 0.00 54.58 54.57 3dxt n ASN 128 Cb 0.55 1.25 0.30 0.00 -0.61 0.00 0.00 39.78 41.28 3dxt n ASN 128 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 3dxt h ARG 129 N 0.00 0.12 0.00 3.52 9.65 -0.82 -1.42 114.38 125.43 3dxt h ARG 129 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3dxt h ARG 129 Cb 0.27 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3dxt h ARG 129 CO 0.00 0.08 0.00 -0.84 2.80 0.00 0.00 179.97 182.01 3dxt h ILE 130 N 0.13 0.00 -0.06 1.20 3.07 -1.85 -2.46 117.51 117.53 3dxt h ILE 130 Ca 0.58 -0.37 0.00 0.00 1.55 0.00 0.00 64.86 66.62 3dxt h ILE 130 Cb 1.21 1.32 0.00 0.00 -0.27 0.00 0.00 36.82 39.08 3dxt h ILE 130 CO -0.74 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 175.14 3dxt n TYR 131 N -2.97 0.07 -4.26 0.16 4.02 -0.53 -4.61 117.16 109.03 3dxt n TYR 131 Ca -0.00 -0.03 -0.14 0.00 -0.01 0.00 0.00 57.90 57.71 3dxt n TYR 131 Cb 0.24 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.46 3dxt n TYR 131 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3dxt s ASN 132 N -1.85 1.76 -0.41 7.72 -0.87 -0.93 -5.12 114.94 115.24 3dxt s ASN 132 Ca 0.36 -1.04 0.02 0.00 -1.57 0.00 0.00 52.86 50.64 3dxt s ASN 132 Cb 0.20 -0.00 0.12 0.00 -0.02 0.00 0.00 41.25 41.55 3dxt s ASN 132 CO 0.31 -0.36 0.18 -0.44 -2.57 0.00 0.00 177.10 174.22 3dxt s SER 133 N -3.18 4.05 0.77 -1.22 0.01 -1.26 -4.71 113.70 108.16 3dxt s SER 133 Ca 0.18 -2.43 -0.11 0.00 1.31 0.00 0.00 55.95 54.89 3dxt s SER 133 Cb 0.03 -1.22 0.05 0.00 0.21 0.00 0.00 66.02 65.09 3dxt s SER 133 CO 0.01 -0.31 1.10 -2.16 0.41 0.00 0.00 173.24 172.30 3dxt s PRO 134 N 0.56 2.34 -0.05 12.44 0.04 -1.26 -4.57 135.00 144.50 3dxt s PRO 134 Ca 0.15 0.55 0.06 0.00 0.04 0.00 0.00 61.00 61.80 3dxt s PRO 134 Cb -0.23 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 3dxt s PRO 134 CO -0.06 -1.42 -0.23 0.42 0.04 0.00 0.00 177.00 175.74 3dxt s ILE 135 N -3.25 2.25 0.11 0.56 1.01 -1.26 -0.78 121.20 119.84 3dxt s ILE 135 Ca 0.60 -1.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.20 3dxt s ILE 135 Cb -0.13 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.49 3dxt s ILE 135 CO 0.53 0.57 0.10 -0.72 0.00 0.00 0.00 174.94 175.43 3dxt s TYR 136 N -0.36 0.55 -0.35 3.97 -0.00 0.61 -4.38 117.35 117.37 3dxt s TYR 136 Ca 0.03 -0.98 -0.10 0.00 -0.00 0.00 0.00 57.07 56.01 3dxt s TYR 136 Cb -0.12 -0.30 0.02 0.00 -0.00 0.00 0.00 41.96 41.56 3dxt s TYR 136 CO 0.02 -0.52 0.19 0.20 -0.00 0.00 0.00 175.55 175.43 3dxt s GLY 137 N -2.96 1.91 0.02 5.49 0.00 0.19 -0.86 107.32 111.11 3dxt s GLY 137 Ca 0.15 -1.62 0.06 0.00 0.00 0.00 0.00 44.72 43.31 3dxt s GLY 137 CO -0.04 0.80 -0.17 0.00 0.00 0.00 0.00 173.10 173.68 3dxt s ALA 138 N 1.56 2.60 -1.36 3.20 0.00 -1.26 -0.76 121.76 125.74 3dxt s ALA 138 Ca 0.03 -1.15 -0.06 0.00 0.00 0.00 0.00 51.96 50.77 3dxt s ALA 138 Cb -0.19 -0.78 0.03 0.00 0.00 0.00 0.00 23.12 22.18 3dxt s ALA 138 CO 0.06 0.57 0.99 -0.25 0.00 0.00 0.00 175.76 177.13 3dxt n ASP 139 N 1.70 -3.94 -4.58 0.00 8.00 -1.14 -4.93 116.55 111.66 3dxt n ASP 139 Ca -0.16 -0.68 -0.42 0.00 0.71 0.00 0.00 54.79 54.23 3dxt n ASP 139 Cb 0.52 -4.54 -0.05 0.00 -0.02 0.00 0.00 41.12 37.03 3dxt n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dxt s ILE 140 N -3.40 4.70 0.19 0.53 1.01 -0.75 -4.84 121.20 118.64 3dxt s ILE 140 Ca 0.36 0.87 -0.32 0.00 0.00 0.00 0.00 60.65 61.56 3dxt s ILE 140 Cb -0.17 -4.24 -0.12 0.00 0.01 0.00 0.00 42.46 37.94 3dxt s ILE 140 CO 0.77 -0.49 1.72 -0.44 0.00 0.00 0.00 174.94 176.51 3dxt s SER 141 N 1.89 6.40 0.00 3.58 0.01 -1.26 0.31 113.70 124.63 3dxt s SER 141 Ca 0.32 2.83 0.00 0.00 1.31 0.00 0.00 55.95 60.41 3dxt s SER 141 Cb -0.13 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.51 3dxt s SER 141 CO 0.18 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.48 3dxt n GLY 142 N 3.99 0.55 3.00 3.44 0.00 -0.93 -4.84 105.19 110.41 3dxt n GLY 142 Ca 0.16 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.86 3dxt n GLY 142 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dxt s SER 143 N 0.00 -0.13 0.00 1.61 0.15 -1.26 -3.82 113.70 110.25 3dxt s SER 143 Ca 0.00 0.25 0.22 0.00 0.70 0.00 0.00 55.95 57.11 3dxt s SER 143 Cb 0.00 0.26 0.51 0.00 -1.71 0.00 0.00 66.02 65.07 3dxt s SER 143 CO 0.00 -0.05 1.44 0.18 1.20 0.00 0.00 173.24 176.01 3dxt n LEU 144 N 2.99 3.62 -4.72 3.45 4.77 -1.26 -4.97 117.00 120.89 3dxt n LEU 144 Ca -0.13 -1.75 -0.42 0.00 -0.03 0.00 0.00 56.01 53.69 3dxt n LEU 144 Cb 0.59 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 3dxt n LEU 144 CO 0.22 0.85 0.78 -0.36 -1.33 0.00 0.00 177.39 177.55 3dxt s PHE 145 N -1.22 3.56 0.27 -1.77 0.40 -1.26 -4.61 117.98 113.34 3dxt s PHE 145 Ca 0.42 1.51 -0.30 0.00 -0.60 0.00 0.00 56.93 57.95 3dxt s PHE 145 Cb 0.23 -3.27 -0.12 0.00 0.51 0.00 0.00 43.02 40.37 3dxt s PHE 145 CO 0.31 -0.64 1.56 -3.47 0.70 0.00 0.00 175.22 173.68 3dxt n ASP 146 N 3.70 3.59 -0.36 1.36 -0.08 -0.57 -4.85 116.55 119.34 3dxt n ASP 146 Ca 0.07 1.14 0.28 0.00 -1.51 0.00 0.00 54.79 54.77 3dxt n ASP 146 Cb 0.48 -1.55 0.53 0.00 2.34 0.00 0.00 41.12 42.93 3dxt n ASP 146 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3dxt h GLU 147 N 4.78 0.23 -0.00 -0.67 4.81 -1.94 -1.42 114.58 120.37 3dxt h GLU 147 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3dxt h GLU 147 Cb 1.24 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3dxt h GLU 147 CO 0.79 0.15 -0.29 0.09 -0.73 0.00 0.00 179.01 179.03 3dxt n ASN 148 N -4.95 0.35 -4.65 1.04 3.02 -1.26 -4.78 115.26 104.02 3dxt n ASN 148 Ca 0.33 -0.04 -0.43 0.00 -0.03 0.00 0.00 54.58 54.41 3dxt n ASN 148 Cb 1.12 -0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 40.23 3dxt n ASN 148 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dxt s THR 149 N -2.94 3.71 -0.12 3.41 2.01 -0.54 -4.90 115.64 116.27 3dxt s THR 149 Ca 0.14 0.83 0.19 0.00 0.31 0.00 0.00 61.69 63.16 3dxt s THR 149 Cb 0.18 -3.62 -0.22 0.00 0.01 0.00 0.00 72.50 68.84 3dxt s THR 149 CO 0.62 -0.17 0.51 0.29 -0.69 0.00 0.00 174.62 175.17 3dxt n LYS 150 N 7.33 0.65 -4.40 4.92 5.02 -1.26 -4.62 118.16 125.79 3dxt n LYS 150 Ca 0.18 0.02 -0.34 0.00 -2.02 0.00 0.00 58.31 56.15 3dxt n LYS 150 Cb 0.44 -1.64 -0.12 0.00 -0.02 0.00 0.00 35.03 33.70 3dxt n LYS 150 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3dxt s GLN 151 N -3.01 3.63 -1.46 1.97 -0.21 -1.26 -4.60 119.66 114.72 3dxt s GLN 151 Ca -0.06 -0.51 -0.06 0.00 0.02 0.00 0.00 55.36 54.75 3dxt s GLN 151 Cb 0.10 -2.90 0.02 0.00 1.00 0.00 0.00 33.01 31.23 3dxt s GLN 151 CO 0.85 0.28 0.51 0.91 -2.12 0.00 0.00 175.29 175.71 3dxt n TRP 152 N 3.43 -1.84 -2.70 0.91 7.02 -1.26 -4.93 117.44 118.07 3dxt n TRP 152 Ca -0.17 0.45 -0.43 0.00 -1.02 0.00 0.00 57.50 56.33 3dxt n TRP 152 Cb 0.52 -3.93 -0.03 0.00 -2.42 0.00 0.00 31.31 25.46 3dxt n TRP 152 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 3dxt s ASN 153 N -2.64 6.57 0.67 -0.99 3.84 -1.26 -4.92 114.94 116.21 3dxt s ASN 153 Ca 0.30 0.30 0.44 0.00 0.21 0.00 0.00 52.86 54.12 3dxt s ASN 153 Cb -0.14 -2.50 2.42 0.00 -0.55 0.00 0.00 41.25 40.48 3dxt s ASN 153 CO 0.37 -1.16 2.37 -0.07 -2.79 0.00 0.00 177.10 175.82 3dxt h LEU 154 N 10.93 0.00 -0.35 3.21 3.38 -1.95 -0.29 115.31 130.24 3dxt h LEU 154 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3dxt h LEU 154 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3dxt h LEU 154 CO 1.08 0.00 -0.11 0.61 0.09 0.00 0.00 178.44 180.11 3dxt n GLY 155 N -1.09 -0.77 0.32 0.83 0.00 -1.26 -4.14 105.19 99.07 3dxt n GLY 155 Ca -0.03 -0.31 0.05 0.00 0.00 0.00 0.00 46.02 45.73 3dxt n GLY 155 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dxt n HIS 156 N -0.77 0.27 -1.84 1.61 8.25 -0.12 -4.99 115.22 117.63 3dxt n HIS 156 Ca 0.15 -0.68 -0.32 0.00 -0.26 0.00 0.00 57.72 56.62 3dxt n HIS 156 Cb 0.29 -0.11 0.02 0.00 1.12 0.00 0.00 29.99 31.31 3dxt n HIS 156 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3dxt s LEU 157 N -1.74 3.31 0.62 2.41 1.43 -1.22 -4.97 118.68 118.51 3dxt s LEU 157 Ca 0.20 1.65 -0.18 0.00 -1.03 0.00 0.00 54.13 54.76 3dxt s LEU 157 Cb 0.15 -4.50 -0.02 0.00 0.03 0.00 0.00 46.19 41.84 3dxt s LEU 157 CO 0.06 -1.20 1.24 -0.83 0.23 0.00 0.00 176.35 175.84 3dxt s GLY 158 N -3.46 2.76 0.38 -3.19 0.00 -1.26 -5.01 107.32 97.54 3dxt s GLY 158 Ca 0.59 1.07 -0.10 0.00 0.00 0.00 0.00 44.72 46.29 3dxt s GLY 158 CO 0.47 1.47 0.73 -0.51 0.00 0.00 0.00 173.10 175.26 3dxt s THR 159 N -1.55 4.83 0.29 0.90 -4.23 -1.26 -4.88 115.64 109.74 3dxt s THR 159 Ca 0.79 0.52 0.02 0.00 -1.18 0.00 0.00 61.69 61.84 3dxt s THR 159 Cb -0.33 -3.73 0.10 0.00 1.34 0.00 0.00 72.50 69.89 3dxt s THR 159 CO 0.36 -0.48 1.77 0.40 -0.54 0.00 0.00 174.62 176.13 3dxt h ILE 160 N 1.15 1.24 -0.58 2.99 2.04 -1.93 -1.20 117.51 121.22 3dxt h ILE 160 Ca -0.47 -1.07 0.03 0.00 1.00 0.00 0.00 64.86 64.35 3dxt h ILE 160 Cb 1.19 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 3dxt h ILE 160 CO 0.64 0.35 0.34 1.56 0.00 0.00 0.00 178.15 181.04 3dxt h GLN 161 N 0.53 0.64 -0.15 2.37 7.50 -1.94 0.10 115.11 124.17 3dxt h GLN 161 Ca 0.10 -0.04 -0.17 0.00 0.50 0.00 0.00 58.65 59.04 3dxt h GLN 161 Cb 0.52 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 3dxt h GLN 161 CO 0.03 0.42 -0.60 -0.44 -1.50 0.00 0.00 178.83 176.74 3dxt h ASP 162 N 0.66 0.57 0.72 1.46 3.32 -1.87 -1.39 116.42 119.89 3dxt h ASP 162 Ca 0.24 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 3dxt h ASP 162 Cb 0.06 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.46 3dxt h ASP 162 CO -0.12 1.04 -0.35 0.25 -1.72 0.00 0.00 179.24 178.34 3dxt h LEU 163 N 0.37 -0.82 -0.76 1.55 7.12 -1.01 0.14 115.31 121.89 3dxt h LEU 163 Ca -0.00 0.03 0.15 0.00 0.13 0.00 0.00 57.88 58.18 3dxt h LEU 163 Cb 1.15 0.21 -0.10 0.00 -0.53 0.00 0.00 40.66 41.39 3dxt h LEU 163 CO 0.11 -0.58 0.29 0.25 -0.13 0.00 0.00 178.44 178.38 3dxt h LEU 164 N -0.98 0.26 -0.56 2.25 7.12 -0.74 -0.96 115.31 121.69 3dxt h LEU 164 Ca -0.10 0.12 -0.07 0.00 0.13 0.00 0.00 57.88 57.96 3dxt h LEU 164 Cb 0.74 0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.95 3dxt h LEU 164 CO 0.16 0.08 0.09 -0.08 -0.13 0.00 0.00 178.44 178.56 3dxt h GLU 165 N 0.42 0.93 -0.33 1.25 4.81 -1.11 -0.19 114.58 120.36 3dxt h GLU 165 Ca 0.43 -0.25 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 3dxt h GLU 165 Cb 0.67 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3dxt h GLU 165 CO -0.42 0.90 0.18 -0.22 -0.73 0.00 0.00 179.01 178.71 3dxt h LYS 166 N 0.82 0.46 -0.09 1.92 3.64 0.27 0.22 116.57 123.82 3dxt h LYS 166 Ca 0.17 -0.06 -0.23 0.00 -1.27 0.00 0.00 60.65 59.27 3dxt h LYS 166 Cb 0.42 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3dxt h LYS 166 CO 0.01 0.40 -0.85 0.93 -2.27 0.00 0.00 179.45 177.67 3dxt h GLU 167 N 0.41 0.67 0.00 1.90 4.39 -1.16 -3.38 114.58 117.40 3dxt h GLU 167 Ca 0.12 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3dxt h GLU 167 Cb 0.07 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3dxt h GLU 167 CO -0.02 1.21 -0.94 0.00 -1.16 0.00 0.00 179.01 178.10 3dxt n GLY 169 N 1.54 0.65 3.19 0.00 0.00 0.78 -5.01 105.19 106.34 3dxt n GLY 169 Ca 0.00 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 3dxt n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxt s VAL 170 N -2.17 2.36 0.03 1.61 0.11 -1.25 -5.04 120.40 116.05 3dxt s VAL 170 Ca 0.00 -0.85 -0.29 0.00 -2.93 0.00 0.00 61.98 57.91 3dxt s VAL 170 Cb 0.00 -2.00 -0.04 0.00 -1.53 0.00 0.00 36.38 32.81 3dxt s VAL 170 CO 0.00 0.52 0.93 -0.69 -3.33 0.00 0.00 175.10 172.53 3dxt s VAL 171 N 1.09 4.76 0.05 2.04 1.01 -1.26 -3.84 120.40 124.25 3dxt s VAL 171 Ca -0.00 1.96 0.03 0.00 0.00 0.00 0.00 61.98 63.98 3dxt s VAL 171 Cb -0.14 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 3dxt s VAL 171 CO -0.06 0.24 -0.10 0.27 0.00 0.00 0.00 175.10 175.44 3dxt s ILE 172 N 0.57 0.77 1.08 2.22 -4.36 -1.26 -5.10 121.20 115.12 3dxt s ILE 172 Ca 0.48 -1.15 -0.13 0.00 -0.26 0.00 0.00 60.65 59.59 3dxt s ILE 172 Cb -0.21 -0.79 0.23 0.00 1.25 0.00 0.00 42.46 42.94 3dxt s ILE 172 CO 0.27 -0.30 1.07 -1.83 0.24 0.00 0.00 174.94 174.39 3dxt s GLU 173 N -1.60 -0.21 0.00 0.37 1.03 -1.26 -4.99 118.70 112.04 3dxt s GLU 173 Ca -0.06 0.49 0.00 0.00 0.03 0.00 0.00 54.97 55.43 3dxt s GLU 173 Cb -0.10 -1.66 0.00 0.00 -0.80 0.00 0.00 34.13 31.57 3dxt s GLU 173 CO 0.01 -3.16 0.00 0.41 -1.33 0.00 0.00 175.26 171.19 3dxt n GLY 174 N -0.58 2.70 3.50 -3.83 0.00 -1.26 -4.90 105.19 100.83 3dxt n GLY 174 Ca 0.05 -1.83 -0.07 0.00 0.00 0.00 0.00 46.02 44.18 3dxt n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dxt s VAL 175 N -2.44 -0.32 -0.08 1.61 0.11 -1.26 -4.89 120.40 113.14 3dxt s VAL 175 Ca 0.00 0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.03 3dxt s VAL 175 Cb 0.00 -0.86 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 3dxt s VAL 175 CO 0.00 0.02 0.17 0.54 -3.33 0.00 0.00 175.10 172.50 3dxt s ASN 176 N 2.00 6.41 0.15 3.54 6.03 -1.26 -5.05 114.94 126.76 3dxt s ASN 176 Ca -0.08 0.47 0.02 0.00 -1.03 0.00 0.00 52.86 52.24 3dxt s ASN 176 Cb -0.08 -2.06 -0.04 0.00 -3.03 0.00 0.00 41.25 36.03 3dxt s ASN 176 CO -0.17 0.36 -0.03 0.42 -2.03 0.00 0.00 177.10 175.65 3dxt s THR 177 N -1.13 0.74 0.78 0.54 -4.23 -1.26 -4.98 115.64 106.10 3dxt s THR 177 Ca 0.20 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 58.62 3dxt s THR 177 Cb -0.12 -1.98 0.06 0.00 1.34 0.00 0.00 72.50 71.80 3dxt s THR 177 CO 0.09 -0.61 1.08 -2.84 -0.54 0.00 0.00 174.62 171.81 3dxt s PRO 178 N -3.88 2.19 0.07 3.99 0.02 -1.26 -4.87 135.00 131.25 3dxt s PRO 178 Ca 0.20 0.88 0.07 0.00 0.02 0.00 0.00 61.00 62.17 3dxt s PRO 178 Cb 0.05 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.64 3dxt s PRO 178 CO 0.01 -1.61 -0.18 0.71 -0.33 0.00 0.00 177.00 175.60 3dxt s TYR 179 N -3.02 1.56 0.02 6.54 1.51 0.09 -2.19 117.35 121.87 3dxt s TYR 179 Ca 0.61 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 56.27 3dxt s TYR 179 Cb -0.16 -0.89 -0.04 0.00 -0.11 0.00 0.00 41.96 40.76 3dxt s TYR 179 CO 0.55 0.11 0.07 -0.51 -1.11 0.00 0.00 175.55 174.67 3dxt s LEU 180 N -1.53 3.83 -0.03 -1.29 1.43 0.15 -1.46 118.68 119.78 3dxt s LEU 180 Ca 0.04 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.25 3dxt s LEU 180 Cb -0.09 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.80 3dxt s LEU 180 CO 0.03 0.24 -0.12 -0.31 0.23 0.00 0.00 176.35 176.42 3dxt s TYR 181 N -1.25 1.19 -0.13 0.29 1.51 0.06 -1.81 117.35 117.21 3dxt s TYR 181 Ca 0.25 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 56.00 3dxt s TYR 181 Cb -0.12 -0.83 0.02 0.00 -0.11 0.00 0.00 41.96 40.91 3dxt s TYR 181 CO 0.16 -0.12 -0.16 -0.06 -1.11 0.00 0.00 175.55 174.26 3dxt s PHE 182 N 0.17 2.23 0.24 2.71 0.40 0.06 -1.29 117.98 122.48 3dxt s PHE 182 Ca -0.04 -1.16 0.07 0.00 -0.60 0.00 0.00 56.93 55.20 3dxt s PHE 182 Cb -0.10 -1.59 -0.05 0.00 0.51 0.00 0.00 43.02 41.79 3dxt s PHE 182 CO 0.01 -0.60 -0.10 0.20 0.70 0.00 0.00 175.22 175.43 3dxt s GLY 183 N 1.17 1.60 0.32 4.36 0.00 -0.80 -0.63 107.32 113.33 3dxt s GLY 183 Ca -0.01 -1.77 0.04 0.00 0.00 0.00 0.00 44.72 42.98 3dxt s GLY 183 CO -0.06 -1.79 0.19 -3.16 0.00 0.00 0.00 173.10 168.28 3dxt s MET 184 N -3.69 1.65 0.08 2.90 0.23 -1.25 -1.61 119.30 117.61 3dxt s MET 184 Ca 0.26 -1.95 -0.37 0.00 -1.03 0.00 0.00 55.69 52.60 3dxt s MET 184 Cb 0.01 0.01 -0.18 0.00 -1.53 0.00 0.00 34.83 33.15 3dxt s MET 184 CO 0.09 -0.51 1.14 1.87 -2.03 0.00 0.00 175.02 175.58 3dxt n TRP 185 N -0.60 0.98 -0.08 3.16 -0.00 -1.26 -1.34 117.44 118.30 3dxt n TRP 185 Ca 0.02 0.84 0.00 0.00 -0.00 0.00 0.00 57.50 58.36 3dxt n TRP 185 Cb 0.64 -2.20 0.00 0.00 -0.00 0.00 0.00 31.31 29.75 3dxt n TRP 185 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 3dxt n LYS 186 N 1.86 0.00 -1.62 5.87 5.02 -0.75 -4.80 118.16 123.75 3dxt n LYS 186 Ca 0.18 0.00 -0.49 0.00 -2.02 0.00 0.00 58.31 55.98 3dxt n LYS 186 Cb 0.16 -2.17 -0.05 0.00 -0.02 0.00 0.00 35.03 32.95 3dxt n LYS 186 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3dxt n THR 187 N -2.00 0.18 -4.65 -0.18 -1.04 -0.45 -4.78 114.28 101.36 3dxt n THR 187 Ca 0.00 -0.05 -0.24 0.00 -2.04 0.00 0.00 64.05 61.72 3dxt n THR 187 Cb 0.00 -1.09 -0.16 0.00 -1.82 0.00 0.00 70.33 67.26 3dxt n THR 187 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3dxt s THR 188 N 0.48 1.19 -0.24 12.58 2.01 -1.26 -1.18 115.64 129.22 3dxt s THR 188 Ca 0.80 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 62.21 3dxt s THR 188 Cb -0.84 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 70.64 3dxt s THR 188 CO 0.45 0.35 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.33 3dxt s PHE 189 N 0.26 3.03 0.74 4.92 0.40 0.33 -4.99 117.98 122.67 3dxt s PHE 189 Ca -0.07 -1.30 -0.11 0.00 -0.60 0.00 0.00 56.93 54.85 3dxt s PHE 189 Cb -0.12 -2.09 0.04 0.00 0.51 0.00 0.00 43.02 41.35 3dxt s PHE 189 CO 0.02 -0.66 1.09 0.00 0.70 0.00 0.00 175.22 176.37 3dxt s ALA 190 N 1.39 2.36 0.04 5.36 0.00 -1.26 -1.71 121.76 127.93 3dxt s ALA 190 Ca 0.02 0.30 -0.32 0.00 0.00 0.00 0.00 51.96 51.96 3dxt s ALA 190 Cb -0.16 -3.27 -0.11 0.00 0.00 0.00 0.00 23.12 19.58 3dxt s ALA 190 CO -0.04 -1.59 1.84 0.91 0.00 0.00 0.00 175.76 176.88 3dxt n TRP 191 N -3.25 2.44 -3.53 0.00 7.02 -0.25 -4.46 117.44 115.42 3dxt n TRP 191 Ca 0.09 -0.08 -0.09 0.00 -1.02 0.00 0.00 57.50 56.40 3dxt n TRP 191 Cb 0.53 -2.69 -0.02 0.00 -2.42 0.00 0.00 31.31 26.70 3dxt n TRP 191 CO 0.00 0.00 0.00 -3.38 -2.02 0.00 0.00 177.69 172.29 3dxt s HIS 192 N 3.28 -0.39 0.43 -5.99 -3.43 -0.52 -4.69 115.29 103.98 3dxt s HIS 192 Ca 0.87 0.17 0.08 0.00 -0.80 0.00 0.00 55.06 55.38 3dxt s HIS 192 Cb -0.58 0.58 0.01 0.00 -1.43 0.00 0.00 32.58 31.15 3dxt s HIS 192 CO 0.43 -0.79 0.51 0.95 -2.00 0.00 0.00 174.74 173.85 3dxt s THR 193 N -3.51 2.77 0.67 -5.38 -4.23 -1.26 -1.06 115.64 103.64 3dxt s THR 193 Ca 0.05 -1.14 -0.13 0.00 -1.18 0.00 0.00 61.69 59.29 3dxt s THR 193 Cb -0.02 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.92 3dxt s THR 193 CO -0.08 0.00 1.07 -1.61 -0.54 0.00 0.00 174.62 173.46 3dxt s GLU 194 N -4.29 2.88 0.26 3.99 0.41 -1.26 -4.89 118.70 115.79 3dxt s GLU 194 Ca 0.52 1.15 -0.29 0.00 -0.41 0.00 0.00 54.97 55.95 3dxt s GLU 194 Cb -0.07 -1.98 -0.15 0.00 -1.78 0.00 0.00 34.13 30.16 3dxt s GLU 194 CO 0.31 -1.15 0.93 -0.25 -0.49 0.00 0.00 175.26 174.61 3dxt n ASP 195 N -2.76 0.81 -1.51 -0.19 8.00 -1.26 -0.20 116.55 119.44 3dxt n ASP 195 Ca 0.09 1.17 -0.12 0.00 0.71 0.00 0.00 54.79 56.64 3dxt n ASP 195 Cb 0.53 -1.21 -0.04 0.00 -0.02 0.00 0.00 41.12 40.37 3dxt n ASP 195 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3dxt n MET 196 N 0.91 -1.41 -4.05 -1.24 2.81 -1.26 -1.59 117.12 111.29 3dxt n MET 196 Ca 0.12 0.67 -0.32 0.00 -1.81 0.00 0.00 57.70 56.35 3dxt n MET 196 Cb 0.30 -4.94 0.00 0.00 -0.71 0.00 0.00 33.22 27.86 3dxt n MET 196 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3dxt n ASP 197 N -0.55 -3.85 -4.69 7.83 8.00 0.72 -3.93 116.55 120.07 3dxt n ASP 197 Ca -0.12 -0.89 -0.29 0.00 0.71 0.00 0.00 54.79 54.20 3dxt n ASP 197 Cb 0.42 -3.36 0.17 0.00 -0.02 0.00 0.00 41.12 38.32 3dxt n ASP 197 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dxt s LEU 198 N -7.25 1.74 0.78 0.64 1.43 -0.62 -3.75 118.68 111.65 3dxt s LEU 198 Ca 0.65 1.20 -0.11 0.00 -1.03 0.00 0.00 54.13 54.84 3dxt s LEU 198 Cb -0.34 -3.44 0.06 0.00 0.03 0.00 0.00 46.19 42.50 3dxt s LEU 198 CO 0.88 -3.00 1.08 -0.31 0.23 0.00 0.00 176.35 175.23 3dxt s TYR 199 N -3.00 2.77 0.06 0.29 1.51 -0.87 -4.18 117.35 113.94 3dxt s TYR 199 Ca 0.65 1.33 0.03 0.00 -1.01 0.00 0.00 57.07 58.07 3dxt s TYR 199 Cb -0.18 -3.04 -0.03 0.00 -0.11 0.00 0.00 41.96 38.60 3dxt s TYR 199 CO 0.57 -1.73 -0.09 -1.54 -1.11 0.00 0.00 175.55 171.65 3dxt s SER 200 N -3.68 1.12 -0.04 2.29 1.04 -0.67 -2.17 113.70 111.59 3dxt s SER 200 Ca 0.60 -0.67 0.03 0.00 0.48 0.00 0.00 55.95 56.40 3dxt s SER 200 Cb -0.15 0.03 0.00 0.00 0.10 0.00 0.00 66.02 65.99 3dxt s SER 200 CO 0.55 -0.23 -0.13 -0.51 0.98 0.00 0.00 173.24 173.90 3dxt s ILE 201 N -1.86 1.15 -0.11 -1.02 2.07 -0.18 -1.00 121.20 120.24 3dxt s ILE 201 Ca -0.03 -0.56 0.00 0.00 -1.41 0.00 0.00 60.65 58.66 3dxt s ILE 201 Cb -0.07 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.55 3dxt s ILE 201 CO -0.00 0.34 -0.10 0.21 -1.91 0.00 0.00 174.94 173.48 3dxt s ASN 202 N 0.14 2.26 -0.19 4.50 3.84 0.06 -1.78 114.94 123.77 3dxt s ASN 202 Ca -0.04 -0.35 -0.06 0.00 0.21 0.00 0.00 52.86 52.62 3dxt s ASN 202 Cb -0.11 -0.94 -0.03 0.00 -0.55 0.00 0.00 41.25 39.63 3dxt s ASN 202 CO 0.02 -0.07 0.02 -0.47 -2.79 0.00 0.00 177.10 173.80 3dxt s TYR 203 N 1.47 3.10 -0.58 0.43 5.04 0.11 -0.55 117.35 126.37 3dxt s TYR 203 Ca 0.02 -0.25 -0.22 0.00 -2.44 0.00 0.00 57.07 54.17 3dxt s TYR 203 Cb -0.13 -2.08 0.06 0.00 0.35 0.00 0.00 41.96 40.15 3dxt s TYR 203 CO -0.07 -0.10 0.88 -1.17 -1.34 0.00 0.00 175.55 173.75 3dxt s LEU 204 N 0.77 4.42 0.08 6.97 2.96 -1.01 -0.75 118.68 132.12 3dxt s LEU 204 Ca 0.01 -0.72 -0.16 0.00 -0.22 0.00 0.00 54.13 53.05 3dxt s LEU 204 Cb -0.14 -2.60 -0.11 0.00 0.50 0.00 0.00 46.19 43.84 3dxt s LEU 204 CO 0.02 -1.23 1.37 0.45 -1.32 0.00 0.00 176.35 175.64 3dxt h HIS 205 N 9.33 0.81 -2.23 5.38 3.86 -0.77 0.20 115.15 131.72 3dxt h HIS 205 Ca -0.27 -0.28 0.00 0.00 -1.16 0.00 0.00 60.37 58.66 3dxt h HIS 205 Cb 1.08 -0.16 -0.17 0.00 1.06 0.00 0.00 27.41 29.22 3dxt h HIS 205 CO 0.90 1.03 0.30 -0.48 0.86 0.00 0.00 177.93 180.54 3dxt s LEU 206 N -8.86 -0.54 0.00 2.43 2.34 -1.07 -4.44 118.68 108.55 3dxt s LEU 206 Ca -0.12 0.36 0.00 0.00 0.06 0.00 0.00 54.13 54.43 3dxt s LEU 206 Cb 0.08 2.36 0.00 0.00 -0.56 0.00 0.00 46.19 48.07 3dxt s LEU 206 CO 0.83 -0.66 0.00 0.61 -1.06 0.00 0.00 176.35 176.07 3dxt n GLY 207 N 0.36 -0.77 3.89 -3.48 0.00 -1.26 -1.49 105.19 102.44 3dxt n GLY 207 Ca -0.15 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 3dxt n GLY 207 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxt s GLU 208 N 0.00 3.03 1.12 1.61 0.41 -0.06 -4.32 118.70 120.49 3dxt s GLU 208 Ca 0.00 0.35 -0.13 0.00 -0.41 0.00 0.00 54.97 54.78 3dxt s GLU 208 Cb 0.00 -2.13 0.26 0.00 -1.78 0.00 0.00 34.13 30.48 3dxt s GLU 208 CO 0.00 -0.81 1.05 -2.14 -0.49 0.00 0.00 175.26 172.87 3dxt s PRO 209 N -5.18 -0.58 -0.08 0.39 0.02 -1.26 -4.69 135.00 123.61 3dxt s PRO 209 Ca 0.56 0.78 0.03 0.00 0.02 0.00 0.00 61.00 62.38 3dxt s PRO 209 Cb -0.11 -1.60 0.01 0.00 0.02 0.00 0.00 34.50 32.82 3dxt s PRO 209 CO 0.50 -3.48 -0.18 0.21 -0.33 0.00 0.00 177.00 173.72 3dxt s LYS 210 N -4.59 2.34 -0.12 5.54 2.20 -0.30 -0.98 119.74 123.83 3dxt s LYS 210 Ca 0.68 -0.63 -0.16 0.00 -0.36 0.00 0.00 55.97 55.50 3dxt s LYS 210 Cb -0.23 -1.84 -0.05 0.00 -1.51 0.00 0.00 37.83 34.20 3dxt s LYS 210 CO 0.63 0.09 0.39 0.99 -0.36 0.00 0.00 175.35 177.09 3dxt s THR 211 N 0.55 5.22 0.05 3.43 2.01 -0.14 -0.21 115.64 126.55 3dxt s THR 211 Ca -0.16 0.77 0.06 0.00 0.31 0.00 0.00 61.69 62.67 3dxt s THR 211 Cb -0.17 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.58 3dxt s THR 211 CO 0.06 0.39 -0.11 0.26 -0.69 0.00 0.00 174.62 174.53 3dxt s TRP 212 N 0.31 2.75 0.03 4.92 0.52 0.65 -1.49 118.94 126.63 3dxt s TRP 212 Ca 0.22 -0.14 0.08 0.00 0.02 0.00 0.00 56.10 56.28 3dxt s TRP 212 Cb -0.14 -1.51 -0.02 0.00 -1.15 0.00 0.00 33.47 30.64 3dxt s TRP 212 CO 0.08 0.36 -0.23 0.71 0.02 0.00 0.00 176.95 177.89 3dxt s TYR 213 N -1.06 2.03 -0.11 -1.98 1.51 0.40 -1.66 117.35 116.48 3dxt s TYR 213 Ca 0.18 -0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 55.76 3dxt s TYR 213 Cb -0.11 -1.24 0.03 0.00 -0.11 0.00 0.00 41.96 40.53 3dxt s TYR 213 CO 0.09 0.06 0.29 0.54 -1.11 0.00 0.00 175.55 175.43 3dxt s VAL 214 N -0.72 -0.01 -0.17 0.71 0.11 -0.47 -1.72 120.40 118.14 3dxt s VAL 214 Ca 0.09 0.03 -0.08 0.00 -2.93 0.00 0.00 61.98 59.09 3dxt s VAL 214 Cb -0.09 -0.41 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 3dxt s VAL 214 CO 0.01 0.01 0.10 -0.69 -3.33 0.00 0.00 175.10 171.20 3dxt s VAL 215 N 0.38 5.14 0.30 2.04 1.01 -0.18 -0.79 120.40 128.30 3dxt s VAL 215 Ca -0.02 0.09 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 3dxt s VAL 215 Cb -0.04 -3.30 -0.12 0.00 0.00 0.00 0.00 36.38 32.92 3dxt s VAL 215 CO -0.02 0.50 1.41 -2.65 0.00 0.00 0.00 175.10 174.34 3dxt n PRO 216 N 3.10 2.25 -0.34 2.72 -0.02 -1.24 -3.45 135.00 138.01 3dxt n PRO 216 Ca -0.17 0.79 0.15 0.00 -2.02 0.00 0.00 63.50 62.26 3dxt n PRO 216 Cb 0.53 -2.45 0.37 0.00 -0.02 0.00 0.00 33.50 31.92 3dxt n PRO 216 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3dxt h PRO 217 N 3.63 0.64 0.00 0.52 0.11 -1.72 0.18 132.00 135.36 3dxt h PRO 217 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dxt h PRO 217 Cb 1.27 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3dxt h PRO 217 CO 0.71 0.42 0.00 1.05 -0.21 0.00 0.00 178.00 179.97 3dxt h GLU 218 N 0.66 0.00 -0.20 1.05 4.11 -1.88 -2.39 114.58 115.93 3dxt h GLU 218 Ca 0.58 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.01 3dxt h GLU 218 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3dxt h GLU 218 CO -0.37 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.43 3dxt n HIS 219 N -2.68 0.43 -0.31 2.06 8.25 0.60 -4.75 115.22 118.82 3dxt n HIS 219 Ca -0.02 -0.67 0.07 0.00 -0.26 0.00 0.00 57.72 56.84 3dxt n HIS 219 Cb 0.09 -0.13 0.22 0.00 1.12 0.00 0.00 29.99 31.29 3dxt n HIS 219 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3dxt h GLY 220 N 1.26 1.42 1.97 -1.41 0.00 -1.12 -1.46 103.07 103.74 3dxt h GLY 220 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3dxt h GLY 220 CO 0.06 0.02 -0.06 1.46 0.00 0.00 0.00 176.54 178.02 3dxt h GLN 221 N 0.71 0.03 -0.75 4.80 4.20 -1.85 -1.77 115.11 120.48 3dxt h GLN 221 Ca 0.46 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 59.11 3dxt h GLN 221 Cb 0.60 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.34 3dxt h GLN 221 CO -0.33 0.10 0.24 0.00 -0.67 0.00 0.00 178.83 178.17 3dxt h ARG 222 N 0.03 1.16 -0.54 1.46 3.08 -1.63 0.14 114.38 118.09 3dxt h ARG 222 Ca 0.01 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.78 3dxt h ARG 222 Cb 0.13 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3dxt h ARG 222 CO 0.01 0.98 0.22 1.25 -1.07 0.00 0.00 179.97 181.36 3dxt h LEU 223 N 1.12 0.74 -0.66 3.04 5.85 -1.35 -2.27 115.31 121.78 3dxt h LEU 223 Ca 0.24 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3dxt h LEU 223 Cb 0.30 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3dxt h LEU 223 CO -0.01 0.70 0.27 -0.33 -0.34 0.00 0.00 178.44 178.73 3dxt h GLU 224 N 0.73 0.99 -0.09 1.25 5.08 -0.75 -0.54 114.58 121.25 3dxt h GLU 224 Ca 0.18 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3dxt h GLU 224 Cb 0.19 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3dxt h GLU 224 CO -0.02 0.83 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.64 3dxt h ARG 225 N 0.94 -0.11 -0.45 2.33 2.43 -0.90 -1.34 114.38 117.29 3dxt h ARG 225 Ca 0.22 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3dxt h ARG 225 Cb 0.20 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3dxt h ARG 225 CO -0.02 -0.07 0.25 1.25 -1.51 0.00 0.00 179.97 179.87 3dxt h LEU 226 N -0.11 0.56 -0.92 3.80 5.85 -1.12 -2.64 115.31 120.73 3dxt h LEU 226 Ca 0.06 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3dxt h LEU 226 Cb 0.20 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 3dxt h LEU 226 CO -0.15 0.48 0.59 0.00 -0.34 0.00 0.00 178.44 179.02 3dxt h ALA 227 N 1.10 1.23 -0.84 1.25 0.00 -0.85 -0.41 119.26 120.75 3dxt h ALA 227 Ca 0.16 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3dxt h ALA 227 Cb 0.04 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 3dxt h ALA 227 CO -0.03 0.42 0.53 -0.09 0.00 0.00 0.00 179.25 180.08 3dxt h ARG 228 N 1.12 0.97 -0.41 0.00 2.43 -0.91 0.12 114.38 117.69 3dxt h ARG 228 Ca 0.38 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.37 3dxt h ARG 228 Cb 0.06 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 3dxt h ARG 228 CO -0.14 0.64 -0.22 1.49 -1.51 0.00 0.00 179.97 180.23 3dxt h GLU 229 N 1.00 0.82 0.00 0.20 4.81 -1.00 -3.19 114.58 117.22 3dxt h GLU 229 Ca 0.35 -0.34 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 3dxt h GLU 229 Cb 0.09 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3dxt h GLU 229 CO -0.14 0.97 -0.96 -0.07 -0.73 0.00 0.00 179.01 178.07 3dxt h LEU 230 N 0.72 0.00 -6.01 1.64 3.38 -0.76 -3.37 115.31 110.90 3dxt h LEU 230 Ca 0.10 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.48 3dxt h LEU 230 Cb 0.75 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.08 3dxt h LEU 230 CO 0.06 0.34 -0.69 0.49 0.09 0.00 0.00 178.44 178.73 3dxt n PHE 231 N -2.92 3.05 -0.21 1.13 3.01 0.39 -4.98 117.46 116.93 3dxt n PHE 231 Ca -0.03 -4.04 -0.08 0.00 1.01 0.00 0.00 57.45 54.31 3dxt n PHE 231 Cb 0.70 -0.51 0.03 0.00 -0.01 0.00 0.00 39.48 39.69 3dxt n PHE 231 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3dxt h PRO 232 N 3.92 0.95 -0.34 -1.08 0.13 -1.72 -0.40 132.00 133.46 3dxt h PRO 232 Ca 0.17 -0.22 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 3dxt h PRO 232 Cb 0.68 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 3dxt h PRO 232 CO 0.77 0.86 0.10 0.78 -0.23 0.00 0.00 178.00 180.28 3dxt h GLY 233 N 0.86 0.57 0.52 1.56 0.00 -1.93 -1.79 103.07 102.87 3dxt h GLY 233 Ca 0.19 -0.35 0.08 0.00 0.00 0.00 0.00 47.33 47.25 3dxt h GLY 233 CO -0.00 0.32 0.25 1.76 0.00 0.00 0.00 176.54 178.87 3dxt h SER 234 N 0.39 0.30 -0.72 0.19 0.02 -1.91 -2.32 113.55 109.50 3dxt h SER 234 Ca 0.11 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 3dxt h SER 234 Cb 0.27 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 3dxt h SER 234 CO -0.00 0.19 0.21 -1.28 -1.14 0.00 0.00 176.83 174.80 3dxt h SER 235 N 0.46 1.07 -0.57 3.07 0.87 -0.87 -2.87 113.55 114.72 3dxt h SER 235 Ca 0.28 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3dxt h SER 235 Cb 0.29 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 3dxt h SER 235 CO -0.25 1.01 0.37 -0.09 -0.53 0.00 0.00 176.83 177.33 3dxt h ARG 236 N 1.09 0.75 0.00 2.24 2.43 -1.03 -2.99 114.38 116.87 3dxt h ARG 236 Ca 0.23 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 3dxt h ARG 236 Cb 0.33 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3dxt h ARG 236 CO -0.00 0.51 -0.20 0.78 -1.51 0.00 0.00 179.97 179.54 3dxt h GLY 237 N 0.77 0.00 -5.62 2.80 0.00 -1.24 -3.44 103.07 96.34 3dxt h GLY 237 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.43 3dxt h GLY 237 CO -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 176.54 176.22 3dxt n GLY 239 N 4.39 -1.02 2.59 0.00 0.00 -1.26 -3.09 105.19 106.81 3dxt n GLY 239 Ca -0.21 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 3dxt n GLY 239 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxt n ALA 240 N -1.66 3.82 0.32 4.61 0.00 -1.26 -4.95 120.51 121.39 3dxt n ALA 240 Ca 0.02 -3.41 0.13 0.00 0.00 0.00 0.00 53.44 50.18 3dxt n ALA 240 Cb 0.15 -0.78 0.59 0.00 0.00 0.00 0.00 19.45 19.41 3dxt n ALA 240 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3dxt h PHE 241 N 2.76 0.00 0.00 0.00 -5.15 -1.85 -0.98 116.94 111.72 3dxt h PHE 241 Ca 0.03 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.80 3dxt h PHE 241 Cb 1.16 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.33 3dxt h PHE 241 CO 0.61 0.00 -0.01 -0.07 -2.00 0.00 0.00 178.31 176.84 3dxt h LEU 242 N 0.00 0.00 -2.14 2.10 3.38 -1.91 -1.03 115.31 115.71 3dxt h LEU 242 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3dxt h LEU 242 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3dxt h LEU 242 CO 0.00 0.01 0.28 0.03 0.09 0.00 0.00 178.44 178.85 3dxt h ARG 243 N 0.00 0.00 0.00 1.13 2.47 -1.51 -1.57 114.38 114.90 3dxt h ARG 243 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3dxt h ARG 243 Cb 0.55 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.87 3dxt h ARG 243 CO 0.00 0.00 -0.01 0.45 0.56 0.00 0.00 179.97 180.97 3dxt h HIS 244 N 0.00 0.00 -5.71 3.04 3.86 -1.36 -3.44 115.15 111.54 3dxt h HIS 244 Ca 0.12 0.00 -0.35 0.00 -1.16 0.00 0.00 60.37 58.98 3dxt h HIS 244 Cb 0.68 0.00 0.16 0.00 1.06 0.00 0.00 27.41 29.31 3dxt h HIS 244 CO 0.00 0.01 -0.76 1.63 0.86 0.00 0.00 177.93 179.68 3dxt n LYS 245 N -3.12 -6.79 0.00 2.45 5.02 -0.59 -4.91 118.16 110.21 3dxt n LYS 245 Ca 0.00 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 3dxt n LYS 245 Cb 0.29 -5.84 0.00 0.00 -0.02 0.00 0.00 35.03 29.46 3dxt n LYS 245 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 3dxt n VAL 246 N -4.29 0.00 -4.11 -0.18 0.24 -1.26 -4.60 118.33 104.12 3dxt n VAL 246 Ca -0.24 -0.38 -0.35 0.00 -2.04 0.00 0.00 64.34 61.33 3dxt n VAL 246 Cb 0.65 1.18 -0.09 0.00 -1.47 0.00 0.00 33.84 34.10 3dxt n VAL 246 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dxt s ALA 247 N -0.18 3.40 -0.03 2.33 0.00 -1.26 -1.23 121.76 124.79 3dxt s ALA 247 Ca 0.00 -0.75 0.06 0.00 0.00 0.00 0.00 51.96 51.27 3dxt s ALA 247 Cb 0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 23.12 21.32 3dxt s ALA 247 CO 0.00 0.34 -0.23 -0.51 0.00 0.00 0.00 175.76 175.36 3dxt s LEU 248 N -0.12 2.03 -0.04 0.00 2.01 0.07 -1.09 118.68 121.54 3dxt s LEU 248 Ca 0.06 -0.44 0.00 0.00 0.01 0.00 0.00 54.13 53.77 3dxt s LEU 248 Cb -0.12 -1.22 0.02 0.00 0.01 0.00 0.00 46.19 44.88 3dxt s LEU 248 CO 0.01 0.26 -0.02 -0.63 1.01 0.00 0.00 176.35 176.99 3dxt s ILE 249 N -0.36 0.34 0.78 -0.59 1.01 -1.26 -1.97 121.20 119.14 3dxt s ILE 249 Ca 0.04 0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.60 3dxt s ILE 249 Cb -0.11 -0.42 0.06 0.00 0.01 0.00 0.00 42.46 42.00 3dxt s ILE 249 CO 0.01 0.19 1.08 -0.94 0.00 0.00 0.00 174.94 175.28 3dxt s SER 250 N 1.14 4.56 0.51 3.58 1.04 -0.08 -4.86 113.70 119.60 3dxt s SER 250 Ca -0.08 1.67 0.18 0.00 0.48 0.00 0.00 55.95 58.20 3dxt s SER 250 Cb -0.14 -2.41 1.30 0.00 0.10 0.00 0.00 66.02 64.87 3dxt s SER 250 CO -0.01 -1.98 2.13 1.55 0.98 0.00 0.00 173.24 175.91 3dxt h PRO 251 N -1.09 0.00 -0.49 4.02 0.13 -1.99 -1.26 132.00 131.32 3dxt h PRO 251 Ca -0.45 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.61 3dxt h PRO 251 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 3dxt h PRO 251 CO 0.54 0.04 0.02 1.15 -0.23 0.00 0.00 178.00 179.52 3dxt h THR 252 N 0.00 1.26 -0.20 1.56 2.02 -1.96 -0.90 112.91 114.70 3dxt h THR 252 Ca -0.00 -1.03 -0.18 0.00 0.77 0.00 0.00 66.41 65.96 3dxt h THR 252 Cb 0.08 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 3dxt h THR 252 CO 0.01 0.36 -0.62 0.58 0.37 0.00 0.00 175.52 176.22 3dxt h VAL 253 N 0.71 1.31 -0.32 3.16 2.07 -1.80 -0.55 116.25 120.81 3dxt h VAL 253 Ca 0.14 -1.86 0.03 0.00 0.82 0.00 0.00 66.70 65.84 3dxt h VAL 253 Cb 0.48 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 3dxt h VAL 253 CO 0.02 0.59 0.13 -0.07 0.02 0.00 0.00 177.57 178.25 3dxt h LEU 254 N 0.51 0.16 -0.44 2.57 3.38 -1.13 -2.29 115.31 118.06 3dxt h LEU 254 Ca -0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3dxt h LEU 254 Cb 1.20 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3dxt h LEU 254 CO 0.12 0.13 0.19 0.50 0.09 0.00 0.00 178.44 179.47 3dxt h LYS 255 N 0.28 0.64 -0.45 1.13 3.64 -0.96 -0.37 116.57 120.48 3dxt h LYS 255 Ca 0.14 -0.11 0.10 0.00 -1.27 0.00 0.00 60.65 59.52 3dxt h LYS 255 Cb 0.10 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3dxt h LYS 255 CO -0.13 0.57 0.31 0.93 -2.27 0.00 0.00 179.45 178.86 3dxt h GLU 256 N 0.56 0.16 -0.65 1.90 5.08 -0.94 -1.77 114.58 118.92 3dxt h GLU 256 Ca 0.15 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3dxt h GLU 256 Cb 0.16 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3dxt h GLU 256 CO -0.02 0.10 0.00 0.09 -1.00 0.00 0.00 179.01 178.19 3dxt n ASN 257 N -4.45 3.78 -1.25 1.42 3.02 -0.88 -4.97 115.26 111.93 3dxt n ASN 257 Ca 0.07 -1.99 -0.12 0.00 -0.03 0.00 0.00 54.58 52.50 3dxt n ASN 257 Cb 0.41 -0.43 -0.02 0.00 -0.61 0.00 0.00 39.78 39.13 3dxt n ASN 257 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dxt n GLY 258 N 1.51 0.40 3.68 7.41 0.00 -0.67 -4.99 105.19 112.53 3dxt n GLY 258 Ca 0.22 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 3dxt n GLY 258 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dxt s ILE 259 N -2.57 4.84 0.11 -0.61 -1.09 -0.21 -5.01 121.20 116.67 3dxt s ILE 259 Ca 0.00 1.78 -0.31 0.00 -2.23 0.00 0.00 60.65 59.89 3dxt s ILE 259 Cb 0.00 -4.20 -0.07 0.00 -1.58 0.00 0.00 42.46 36.61 3dxt s ILE 259 CO 0.00 0.01 1.31 -2.16 -1.23 0.00 0.00 174.94 172.87 3dxt s PRO 260 N 2.15 4.37 0.20 2.79 0.05 -1.26 -4.59 135.00 138.72 3dxt s PRO 260 Ca 0.42 1.97 -0.18 0.00 0.05 0.00 0.00 61.00 63.25 3dxt s PRO 260 Cb -0.17 -3.27 0.03 0.00 0.05 0.00 0.00 34.50 31.14 3dxt s PRO 260 CO 0.14 -0.34 0.55 -0.59 0.05 0.00 0.00 177.00 176.81 3dxt s PHE 261 N 0.90 -0.14 0.21 0.56 -0.12 -1.26 -4.30 117.98 113.82 3dxt s PHE 261 Ca 0.61 -0.20 0.03 0.00 -0.05 0.00 0.00 56.93 57.32 3dxt s PHE 261 Cb -0.34 0.43 -0.05 0.00 -0.63 0.00 0.00 43.02 42.43 3dxt s PHE 261 CO 0.31 -0.95 0.01 -0.80 -0.05 0.00 0.00 175.22 173.75 3dxt s ASN 262 N -2.87 1.53 0.08 1.98 0.01 0.03 -4.97 114.94 110.73 3dxt s ASN 262 Ca 0.09 -1.22 0.03 0.00 -0.71 0.00 0.00 52.86 51.05 3dxt s ASN 262 Cb -0.01 0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.68 3dxt s ASN 262 CO -0.02 -0.56 -0.08 0.00 -1.51 0.00 0.00 177.10 174.93 3dxt s ARG 263 N -3.90 0.74 -0.11 -0.60 1.70 -1.26 -1.36 118.95 114.16 3dxt s ARG 263 Ca 0.28 -1.09 -0.30 0.00 -0.47 0.00 0.00 55.73 54.14 3dxt s ARG 263 Cb 0.06 -0.35 0.08 0.00 -0.57 0.00 0.00 34.95 34.17 3dxt s ARG 263 CO 0.07 0.04 0.77 -1.50 -1.08 0.00 0.00 175.30 173.60 3dxt s ILE 264 N -2.51 0.00 -0.22 4.99 2.07 -0.67 -5.00 121.20 119.86 3dxt s ILE 264 Ca 0.03 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.21 3dxt s ILE 264 Cb -0.02 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.54 3dxt s ILE 264 CO -0.01 0.00 0.03 -0.89 -1.91 0.00 0.00 174.94 172.16 3dxt s THR 265 N -0.95 4.15 -0.04 4.00 2.01 -1.26 -0.25 115.64 123.29 3dxt s THR 265 Ca -0.07 -0.24 -0.22 0.00 0.31 0.00 0.00 61.69 61.47 3dxt s THR 265 Cb -0.01 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.56 3dxt s THR 265 CO 0.07 0.39 0.65 -1.58 -0.69 0.00 0.00 174.62 173.46 3dxt s GLN 266 N 1.21 4.40 0.33 4.92 0.74 0.71 -4.95 119.66 127.02 3dxt s GLN 266 Ca 0.04 0.81 0.09 0.00 0.05 0.00 0.00 55.36 56.34 3dxt s GLN 266 Cb -0.14 -3.41 -0.05 0.00 1.10 0.00 0.00 33.01 30.51 3dxt s GLN 266 CO 0.02 0.18 0.07 -1.21 -0.55 0.00 0.00 175.29 173.81 3dxt s GLU 267 N 0.41 2.25 0.34 1.67 2.02 -1.26 -1.16 118.70 122.97 3dxt s GLU 267 Ca 0.34 -1.61 -0.28 0.00 0.02 0.00 0.00 54.97 53.44 3dxt s GLU 267 Cb -0.18 -2.08 -0.12 0.00 0.10 0.00 0.00 34.13 31.85 3dxt s GLU 267 CO 0.17 0.15 1.32 0.00 0.02 0.00 0.00 175.26 176.93 3dxt n ALA 268 N -1.04 1.43 -0.48 5.21 0.00 -1.26 -1.92 120.51 122.45 3dxt n ALA 268 Ca -0.04 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3dxt n ALA 268 Cb 0.61 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.79 3dxt n ALA 268 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxt n GLY 269 N 0.84 0.75 3.56 0.00 0.00 0.70 -5.01 105.19 106.03 3dxt n GLY 269 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3dxt n GLY 269 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxt s GLU 270 N -0.52 2.66 0.19 1.61 2.02 -0.81 -4.40 118.70 119.46 3dxt s GLU 270 Ca 0.00 -0.61 -0.11 0.00 0.02 0.00 0.00 54.97 54.28 3dxt s GLU 270 Cb 0.00 -2.53 -0.07 0.00 0.10 0.00 0.00 34.13 31.64 3dxt s GLU 270 CO 0.00 0.65 0.53 -0.06 0.02 0.00 0.00 175.26 176.40 3dxt s PHE 271 N -0.81 3.48 -0.04 1.61 0.40 -0.53 -2.40 117.98 119.70 3dxt s PHE 271 Ca 0.13 0.90 0.05 0.00 -0.60 0.00 0.00 56.93 57.41 3dxt s PHE 271 Cb -0.11 -2.27 -0.01 0.00 0.51 0.00 0.00 43.02 41.15 3dxt s PHE 271 CO 0.02 0.33 -0.18 -1.64 0.70 0.00 0.00 175.22 174.45 3dxt s MET 272 N -2.52 1.78 -0.13 0.44 -1.94 0.29 -1.09 119.30 116.13 3dxt s MET 272 Ca 0.44 -0.64 0.00 0.00 -1.71 0.00 0.00 55.69 53.78 3dxt s MET 272 Cb -0.12 -1.57 -0.01 0.00 2.01 0.00 0.00 34.83 35.13 3dxt s MET 272 CO 0.21 0.28 -0.15 0.08 -0.01 0.00 0.00 175.02 175.43 3dxt s VAL 273 N -0.06 2.83 0.06 -6.03 1.01 -0.23 -0.76 120.40 117.22 3dxt s VAL 273 Ca -0.02 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3dxt s VAL 273 Cb -0.11 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3dxt s VAL 273 CO 0.02 0.53 0.24 0.42 0.00 0.00 0.00 175.10 176.31 3dxt s THR 274 N 0.46 5.35 0.17 3.92 -4.23 -0.17 -0.81 115.64 120.32 3dxt s THR 274 Ca -0.11 -0.21 0.07 0.00 -1.18 0.00 0.00 61.69 60.27 3dxt s THR 274 Cb -0.16 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.03 3dxt s THR 274 CO 0.05 0.18 -0.01 -0.36 -0.54 0.00 0.00 174.62 173.93 3dxt s PHE 275 N -1.48 2.83 -0.13 3.99 0.40 -0.38 -1.66 117.98 121.54 3dxt s PHE 275 Ca 0.34 -0.14 -0.39 0.00 -0.60 0.00 0.00 56.93 56.14 3dxt s PHE 275 Cb -0.13 -1.38 -0.16 0.00 0.51 0.00 0.00 43.02 41.86 3dxt s PHE 275 CO 0.24 0.51 1.58 -2.30 0.70 0.00 0.00 175.22 175.96 3dxt n PRO 276 N -0.03 1.14 -1.49 0.24 -0.02 -1.26 -1.00 135.00 132.58 3dxt n PRO 276 Ca -0.10 0.41 -0.11 0.00 -2.02 0.00 0.00 63.50 61.69 3dxt n PRO 276 Cb 0.55 -2.08 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 3dxt n PRO 276 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 3dxt n TYR 277 N 4.22 -0.10 -2.90 6.00 9.36 -1.25 -4.80 117.16 127.70 3dxt n TYR 277 Ca 0.23 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 61.02 3dxt n TYR 277 Cb 0.15 -2.11 -0.05 0.00 -0.63 0.00 0.00 39.34 36.70 3dxt n TYR 277 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 3dxt s GLY 278 N -2.82 1.48 0.14 2.98 0.00 -0.17 -4.15 107.32 104.79 3dxt s GLY 278 Ca 0.00 -1.32 -0.31 0.00 0.00 0.00 0.00 44.72 43.09 3dxt s GLY 278 CO 0.00 1.94 1.41 -0.19 0.00 0.00 0.00 173.10 176.26 3dxt s TYR 279 N 3.69 3.20 0.07 1.90 1.51 -1.22 -4.55 117.35 121.94 3dxt s TYR 279 Ca 0.28 0.94 -0.02 0.00 -1.01 0.00 0.00 57.07 57.26 3dxt s TYR 279 Cb -0.14 -3.72 -0.04 0.00 -0.11 0.00 0.00 41.96 37.95 3dxt s TYR 279 CO 0.18 -2.51 0.01 -3.38 -1.11 0.00 0.00 175.55 168.74 3dxt s HIS 280 N 0.90 0.54 0.24 2.71 -3.43 -0.23 -1.01 115.29 115.00 3dxt s HIS 280 Ca 0.64 -1.05 -0.15 0.00 -0.80 0.00 0.00 55.06 53.70 3dxt s HIS 280 Cb -0.38 -0.37 0.01 0.00 -1.43 0.00 0.00 32.58 30.41 3dxt s HIS 280 CO 0.32 -0.42 0.52 0.00 -2.00 0.00 0.00 174.74 173.16 3dxt s ALA 281 N -3.94 -0.58 0.00 -1.38 0.00 -0.70 -1.44 121.76 113.72 3dxt s ALA 281 Ca 0.10 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3dxt s ALA 281 Cb 0.08 0.96 0.00 0.00 0.00 0.00 0.00 23.12 24.16 3dxt s ALA 281 CO -0.08 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.23 3dxt n GLY 282 N -0.38 -1.35 3.29 0.00 0.00 -0.70 -0.45 105.19 105.61 3dxt n GLY 282 Ca -0.04 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.87 3dxt n GLY 282 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dxt s PHE 283 N -2.51 -0.22 -0.02 1.61 -0.12 -0.55 -0.51 117.98 115.66 3dxt s PHE 283 Ca 0.00 0.23 -0.16 0.00 -0.05 0.00 0.00 56.93 56.95 3dxt s PHE 283 Cb 0.00 0.16 -0.05 0.00 -0.63 0.00 0.00 43.02 42.49 3dxt s PHE 283 CO 0.00 -0.49 0.43 -0.80 -0.05 0.00 0.00 175.22 174.30 3dxt s ASN 284 N -1.74 6.80 0.42 1.98 0.01 -0.32 -0.97 114.94 121.12 3dxt s ASN 284 Ca -0.08 0.95 0.23 0.00 -0.71 0.00 0.00 52.86 53.24 3dxt s ASN 284 Cb -0.02 -2.26 0.51 0.00 0.41 0.00 0.00 41.25 39.88 3dxt s ASN 284 CO 0.00 0.26 1.66 0.45 -1.51 0.00 0.00 177.10 177.96 3dxt h HIS 285 N 5.10 0.00 0.00 2.20 3.86 -1.30 -1.99 115.15 123.02 3dxt h HIS 285 Ca -0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 3dxt h HIS 285 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 3dxt h HIS 285 CO 0.69 0.15 0.00 0.41 0.86 0.00 0.00 177.93 180.03 3dxt n GLY 286 N 0.84 -1.16 3.66 2.45 0.00 -1.26 -4.29 105.19 105.43 3dxt n GLY 286 Ca 0.02 -0.92 -0.49 0.00 0.00 0.00 0.00 46.02 44.64 3dxt n GLY 286 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3dxt n PHE 287 N 3.22 2.14 -4.02 1.61 7.35 -1.24 -3.89 117.46 122.62 3dxt n PHE 287 Ca 0.00 0.28 -0.10 0.00 -0.76 0.00 0.00 57.45 56.88 3dxt n PHE 287 Cb 0.00 -2.53 -0.05 0.00 0.35 0.00 0.00 39.48 37.24 3dxt n PHE 287 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3dxt s ASN 288 N 1.93 0.02 -0.03 -2.13 6.03 -0.63 -0.88 114.94 119.24 3dxt s ASN 288 Ca 0.85 -1.02 -0.00 0.00 -1.03 0.00 0.00 52.86 51.66 3dxt s ASN 288 Cb -0.77 0.58 0.03 0.00 -3.03 0.00 0.00 41.25 38.07 3dxt s ASN 288 CO 0.46 -1.14 0.03 0.00 -2.03 0.00 0.00 177.10 174.41 3dxt s ALA 290 N 1.31 1.87 0.02 0.00 0.00 -0.41 0.01 121.76 124.55 3dxt s ALA 290 Ca -0.06 -1.45 0.06 0.00 0.00 0.00 0.00 51.96 50.50 3dxt s ALA 290 Cb -0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.83 3dxt s ALA 290 CO -0.03 0.18 -0.17 -2.00 0.00 0.00 0.00 175.76 173.74 3dxt s GLU 291 N -2.85 1.25 0.01 0.00 2.12 0.07 -0.76 118.70 118.54 3dxt s GLU 291 Ca 0.15 -0.74 -0.13 0.00 0.36 0.00 0.00 54.97 54.60 3dxt s GLU 291 Cb -0.05 -1.27 0.02 0.00 0.26 0.00 0.00 34.13 33.09 3dxt s GLU 291 CO 0.06 0.33 0.28 0.00 -0.54 0.00 0.00 175.26 175.39 3dxt s ALA 292 N -0.63 -0.67 0.01 6.30 0.00 -0.53 0.05 121.76 126.29 3dxt s ALA 292 Ca 0.05 0.13 -0.13 0.00 0.00 0.00 0.00 51.96 52.01 3dxt s ALA 292 Cb -0.07 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.24 3dxt s ALA 292 CO 0.01 -0.31 0.27 -1.50 0.00 0.00 0.00 175.76 174.22 3dxt s ILE 293 N -1.83 0.08 0.41 0.00 2.07 -0.73 -0.73 121.20 120.46 3dxt s ILE 293 Ca -0.10 -0.63 -0.17 0.00 -1.41 0.00 0.00 60.65 58.34 3dxt s ILE 293 Cb -0.04 -0.74 -0.09 0.00 0.13 0.00 0.00 42.46 41.72 3dxt s ILE 293 CO 0.01 -0.35 0.86 0.20 -1.91 0.00 0.00 174.94 173.76 3dxt s ASN 294 N -1.68 6.77 0.26 4.50 0.01 -1.26 -1.01 114.94 122.52 3dxt s ASN 294 Ca -0.10 1.46 -0.06 0.00 -0.71 0.00 0.00 52.86 53.45 3dxt s ASN 294 Cb -0.03 -2.45 -0.01 0.00 0.41 0.00 0.00 41.25 39.16 3dxt s ASN 294 CO 0.00 -0.36 0.37 0.72 -1.51 0.00 0.00 177.10 176.32 3dxt s PHE 295 N -2.23 0.80 0.07 2.20 -0.12 -0.92 -4.87 117.98 112.90 3dxt s PHE 295 Ca 0.57 -1.08 0.02 0.00 -0.05 0.00 0.00 56.93 56.40 3dxt s PHE 295 Cb -0.10 -0.13 -0.03 0.00 -0.63 0.00 0.00 43.02 42.14 3dxt s PHE 295 CO 0.21 -0.92 -0.07 0.00 -0.05 0.00 0.00 175.22 174.39 3dxt s ALA 296 N -3.83 0.77 0.29 1.99 0.00 -1.26 -2.06 121.76 117.66 3dxt s ALA 296 Ca 0.30 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 51.25 3dxt s ALA 296 Cb 0.02 0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 3dxt s ALA 296 CO 0.13 -0.11 0.10 0.95 0.00 0.00 0.00 175.76 176.83 3dxt s THR 297 N -2.38 0.67 0.34 0.00 -4.23 -1.26 -4.98 115.64 103.80 3dxt s THR 297 Ca -0.00 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.60 3dxt s THR 297 Cb -0.03 -2.63 0.32 0.00 1.34 0.00 0.00 72.50 71.50 3dxt s THR 297 CO -0.02 0.00 1.83 -0.65 -0.54 0.00 0.00 174.62 175.24 3dxt h PRO 298 N 2.25 0.68 0.00 3.99 0.11 -2.02 -1.21 132.00 135.79 3dxt h PRO 298 Ca -0.38 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 3dxt h PRO 298 Cb 1.25 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3dxt h PRO 298 CO 0.61 0.45 -0.07 -0.09 -0.21 0.00 0.00 178.00 178.69 3dxt h ARG 299 N 0.70 0.00 0.00 1.05 2.43 -2.04 -2.58 114.38 113.94 3dxt h ARG 299 Ca 0.50 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.58 3dxt h ARG 299 Cb 0.84 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 3dxt h ARG 299 CO -0.26 0.07 -0.45 2.35 -1.51 0.00 0.00 179.97 180.17 3dxt h TRP 300 N 0.00 0.00 -0.64 2.20 7.01 -1.61 -3.36 115.95 119.55 3dxt h TRP 300 Ca -0.00 0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.10 3dxt h TRP 300 Cb 0.17 0.00 -0.12 0.00 -2.10 0.00 0.00 29.16 27.11 3dxt h TRP 300 CO 0.00 0.45 -0.37 0.82 -2.79 0.00 0.00 178.44 176.54 3dxt h ILE 301 N 0.00 0.12 -0.00 2.65 1.08 -1.54 0.99 117.51 120.81 3dxt h ILE 301 Ca -0.00 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.45 3dxt h ILE 301 Cb 0.80 0.12 -0.00 0.00 -3.07 0.00 0.00 36.82 34.67 3dxt h ILE 301 CO 0.06 0.00 -0.07 0.44 -0.69 0.00 0.00 178.15 177.89 3dxt h ASP 302 N -0.16 0.01 -0.37 1.72 3.32 -1.80 -1.59 116.42 117.54 3dxt h ASP 302 Ca 0.23 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.17 3dxt h ASP 302 Cb 0.56 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3dxt h ASP 302 CO -0.72 0.08 -0.18 1.88 -1.72 0.00 0.00 179.24 178.57 3dxt h TYR 303 N 0.01 0.90 -0.93 4.55 -1.99 -1.08 -2.92 116.97 115.51 3dxt h TYR 303 Ca 0.00 -0.22 -0.01 0.00 2.00 0.00 0.00 58.73 60.50 3dxt h TYR 303 Cb 0.13 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 38.61 3dxt h TYR 303 CO 0.00 0.96 0.53 0.78 -0.00 0.00 0.00 178.16 180.44 3dxt h GLY 304 N 0.57 1.36 1.75 3.88 0.00 -0.23 -1.11 103.07 109.30 3dxt h GLY 304 Ca 0.08 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 3dxt h GLY 304 CO 0.05 0.57 0.00 0.50 0.00 0.00 0.00 176.54 177.67 3dxt h LYS 305 N 1.29 0.32 -0.03 4.80 1.57 -1.31 -3.03 116.57 120.18 3dxt h LYS 305 Ca 0.33 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3dxt h LYS 305 Cb -0.01 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3dxt h LYS 305 CO -0.06 0.35 -0.02 -1.33 -0.57 0.00 0.00 179.45 177.82 3dxt n MET 306 N -4.36 2.13 -1.94 3.15 2.81 -0.79 -4.80 117.12 113.32 3dxt n MET 306 Ca 0.00 -1.68 -0.42 0.00 -1.81 0.00 0.00 57.70 53.80 3dxt n MET 306 Cb 0.19 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.21 3dxt n MET 306 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dxt s ALA 307 N -2.03 3.72 0.42 3.04 0.00 -0.49 -4.97 121.76 121.45 3dxt s ALA 307 Ca 0.30 1.38 -0.25 0.00 0.00 0.00 0.00 51.96 53.38 3dxt s ALA 307 Cb 0.20 -3.60 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 3dxt s ALA 307 CO 0.32 -0.79 1.30 -1.12 0.00 0.00 0.00 175.76 175.47 3dxt s SER 308 N 0.79 6.21 0.02 0.00 0.01 -1.26 -5.04 113.70 114.43 3dxt s SER 308 Ca 0.65 2.64 0.07 0.00 1.31 0.00 0.00 55.95 60.62 3dxt s SER 308 Cb -0.44 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.14 3dxt s SER 308 CO 0.37 -0.92 -0.20 -1.10 0.41 0.00 0.00 173.24 171.80 3dxt s GLN 309 N -2.33 1.48 -0.12 12.44 -1.52 -1.26 -4.90 119.66 123.46 3dxt s GLN 309 Ca 0.59 -0.85 -0.24 0.00 -1.95 0.00 0.00 55.36 52.90 3dxt s GLN 309 Cb -0.38 -1.53 -0.03 0.00 -0.22 0.00 0.00 33.01 30.86 3dxt s GLN 309 CO 0.48 0.40 0.77 0.00 -0.25 0.00 0.00 175.29 176.69 3dxt n SER 311 N 4.50 2.45 -0.04 0.00 7.64 -1.26 -4.74 113.62 122.17 3dxt n SER 311 Ca 0.02 -2.25 0.13 0.00 1.01 0.00 0.00 58.87 57.77 3dxt n SER 311 Cb 0.50 -0.17 0.39 0.00 -1.01 0.00 0.00 64.21 63.92 3dxt n SER 311 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dxt n GLY 313 N 1.45 0.75 0.43 0.00 0.00 -1.25 -4.97 105.19 101.60 3dxt n GLY 313 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 3dxt n GLY 313 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dxt n GLU 314 N -2.09 1.52 -3.17 1.61 4.07 -1.26 -4.26 120.64 117.05 3dxt n GLU 314 Ca 0.00 -0.91 -0.26 0.00 -0.06 0.00 0.00 57.16 55.93 3dxt n GLU 314 Cb 0.00 -1.35 -0.06 0.00 -0.06 0.00 0.00 31.44 29.97 3dxt n GLU 314 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3dxt n ALA 315 N -0.04 4.10 -1.93 4.31 0.00 -1.26 -4.61 120.51 121.09 3dxt n ALA 315 Ca 0.08 -4.56 -0.42 0.00 0.00 0.00 0.00 53.44 48.54 3dxt n ALA 315 Cb 0.39 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 3dxt n ALA 315 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3dxt s ARG 316 N -2.85 4.20 0.00 0.00 3.00 -1.26 -4.95 118.95 117.09 3dxt s ARG 316 Ca 0.44 2.34 0.00 0.00 0.00 0.00 0.00 55.73 58.51 3dxt s ARG 316 Cb 0.23 -3.48 0.00 0.00 0.00 0.00 0.00 34.95 31.69 3dxt s ARG 316 CO -0.08 -0.70 0.00 0.28 0.00 0.00 0.00 175.30 174.80 3dxt n VAL 317 N 4.53 0.00 -4.12 3.52 0.31 -1.26 -5.17 118.33 116.14 3dxt n VAL 317 Ca 0.15 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.37 3dxt n VAL 317 Cb 0.40 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.25 3dxt n VAL 317 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3dxt s THR 318 N 2.30 0.00 0.48 2.52 2.01 -1.26 -5.02 115.64 116.67 3dxt s THR 318 Ca 0.00 -1.77 0.14 0.00 0.31 0.00 0.00 61.69 60.37 3dxt s THR 318 Cb 0.00 -2.39 0.23 0.00 0.01 0.00 0.00 72.50 70.35 3dxt s THR 318 CO 0.00 0.00 2.07 -0.26 -0.69 0.00 0.00 174.62 175.74 3dxt h PHE 319 N 2.48 0.05 -0.99 4.92 0.04 -2.02 -2.83 116.94 118.58 3dxt h PHE 319 Ca -0.32 -0.00 0.06 0.00 2.80 0.00 0.00 57.97 60.51 3dxt h PHE 319 Cb 1.25 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 39.32 3dxt h PHE 319 CO 0.37 0.11 0.64 0.66 -0.60 0.00 0.00 178.31 179.49 3dxt h SER 320 N 0.05 1.02 1.23 2.17 4.64 -1.95 -1.83 113.55 118.88 3dxt h SER 320 Ca 0.01 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3dxt h SER 320 Cb 0.14 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3dxt h SER 320 CO 0.01 0.65 0.00 -0.03 -0.87 0.00 0.00 176.83 176.59 3dxt h MET 321 N 1.16 0.00 -0.62 4.77 -1.53 -1.92 -3.28 114.93 113.52 3dxt h MET 321 Ca 0.43 0.00 0.12 0.00 -3.44 0.00 0.00 59.70 56.80 3dxt h MET 321 Cb 0.16 0.00 -0.09 0.00 -0.55 0.00 0.00 31.60 31.12 3dxt h MET 321 CO -0.17 0.00 0.16 0.22 0.14 0.00 0.00 176.91 177.26 3dxt h ASP 322 N 0.00 0.05 0.36 1.39 3.58 -1.38 -1.88 116.42 118.55 3dxt h ASP 322 Ca 0.00 0.11 -0.18 0.00 0.42 0.00 0.00 57.03 57.38 3dxt h ASP 322 Cb 0.62 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 3dxt h ASP 322 CO 0.00 0.03 -0.73 0.00 -2.88 0.00 0.00 179.24 175.66 3dxt h ALA 323 N 1.49 0.65 -0.44 -0.78 0.00 -1.71 0.06 119.26 118.53 3dxt h ALA 323 Ca 0.33 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 3dxt h ALA 323 Cb 0.49 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3dxt h ALA 323 CO -0.40 0.79 -0.02 0.74 0.00 0.00 0.00 179.25 180.36 3dxt h PHE 324 N 0.21 0.87 -0.40 0.00 0.04 -1.60 -0.26 116.94 115.80 3dxt h PHE 324 Ca -0.03 -0.16 -0.09 0.00 2.80 0.00 0.00 57.97 60.50 3dxt h PHE 324 Cb 1.29 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 39.21 3dxt h PHE 324 CO 0.03 0.85 -0.10 0.28 -0.60 0.00 0.00 178.31 178.78 3dxt h VAL 325 N 0.63 1.28 -0.88 -0.55 2.07 -1.16 -0.73 116.25 116.91 3dxt h VAL 325 Ca 0.12 -1.19 0.06 0.00 0.82 0.00 0.00 66.70 66.52 3dxt h VAL 325 Cb 0.52 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 3dxt h VAL 325 CO 0.03 0.40 0.55 -0.09 0.02 0.00 0.00 177.57 178.47 3dxt h ARG 326 N 0.58 0.96 0.08 1.57 2.43 -0.70 0.15 114.38 119.46 3dxt h ARG 326 Ca 0.10 -0.06 -0.32 0.00 -0.81 0.00 0.00 59.98 58.89 3dxt h ARG 326 Cb 0.62 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3dxt h ARG 326 CO 0.04 0.64 -1.75 -0.89 -1.51 0.00 0.00 179.97 176.50 3dxt n ILE 327 N -4.61 1.69 0.04 1.20 2.08 -0.13 -4.00 119.36 115.63 3dxt n ILE 327 Ca 0.13 -0.43 -0.04 0.00 0.56 0.00 0.00 62.75 62.97 3dxt n ILE 327 Cb 0.19 -1.85 -0.09 0.00 -0.75 0.00 0.00 39.64 37.14 3dxt n ILE 327 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3dxt h LEU 328 N -0.32 0.00 -5.62 1.39 3.38 -1.17 -3.39 115.31 109.58 3dxt h LEU 328 Ca -0.40 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.04 3dxt h LEU 328 Cb 1.77 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 42.11 3dxt h LEU 328 CO -0.02 0.80 -0.94 0.00 0.09 0.00 0.00 178.44 178.36 3dxt n GLN 329 N -3.10 2.05 -0.33 1.13 6.02 0.53 -4.67 117.38 119.02 3dxt n GLN 329 Ca -0.08 -4.07 0.10 0.00 -0.01 0.00 0.00 57.00 52.94 3dxt n GLN 329 Cb 0.91 -1.95 0.27 0.00 1.02 0.00 0.00 30.24 30.49 3dxt n GLN 329 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3dxt h PRO 330 N 2.98 0.73 0.00 -1.09 0.13 -1.69 0.42 132.00 133.48 3dxt h PRO 330 Ca 0.11 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 3dxt h PRO 330 Cb 0.76 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 3dxt h PRO 330 CO 0.65 0.48 -0.06 1.49 -0.23 0.00 0.00 178.00 180.33 3dxt h GLU 331 N 0.75 0.00 0.00 0.86 4.81 -1.93 -2.49 114.58 116.58 3dxt h GLU 331 Ca 0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 3dxt h GLU 331 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3dxt h GLU 331 CO -0.36 0.06 -0.79 0.54 -0.73 0.00 0.00 179.01 177.73 3dxt n ARG 332 N -4.02 0.16 0.18 1.92 1.74 0.11 -4.60 116.66 112.14 3dxt n ARG 332 Ca -0.03 0.01 -0.14 0.00 -0.77 0.00 0.00 57.85 56.92 3dxt n ARG 332 Cb 0.15 -1.56 -0.08 0.00 -1.02 0.00 0.00 32.46 29.95 3dxt n ARG 332 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3dxt h TYR 333 N 0.00 -0.37 -0.11 -1.55 3.20 -1.07 -0.18 116.97 116.90 3dxt h TYR 333 Ca 0.00 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.90 3dxt h TYR 333 Cb 0.63 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 38.97 3dxt h TYR 333 CO 0.00 -0.19 -0.19 -0.44 -1.64 0.00 0.00 178.16 175.70 3dxt h ASP 334 N -0.45 -0.59 -0.24 -2.11 3.45 -1.81 0.43 116.42 115.10 3dxt h ASP 334 Ca -0.04 0.10 -0.00 0.00 0.43 0.00 0.00 57.03 57.52 3dxt h ASP 334 Cb 0.34 0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 39.36 3dxt h ASP 334 CO 0.07 -0.24 0.15 0.25 -1.57 0.00 0.00 179.24 177.89 3dxt h LEU 335 N -0.26 0.29 -0.16 1.55 5.85 -1.83 -1.74 115.31 119.01 3dxt h LEU 335 Ca 0.09 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3dxt h LEU 335 Cb 0.39 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3dxt h LEU 335 CO -0.25 0.25 0.00 -0.25 -0.34 0.00 0.00 178.44 177.85 3dxt h TRP 336 N 0.30 -0.01 -0.11 1.25 7.01 -0.64 -2.30 115.95 121.45 3dxt h TRP 336 Ca 0.09 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.14 3dxt h TRP 336 Cb 0.02 0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.04 3dxt h TRP 336 CO -0.05 -0.02 -0.32 -0.22 -2.79 0.00 0.00 178.44 175.04 3dxt h LYS 337 N 0.06 -0.39 0.00 2.65 3.11 0.16 -0.75 116.57 121.40 3dxt h LYS 337 Ca 0.08 0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.91 3dxt h LYS 337 Cb 0.09 0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.41 3dxt h LYS 337 CO -0.13 -0.26 -0.17 0.07 -2.81 0.00 0.00 179.45 176.15 3dxt h ARG 338 N -0.41 0.00 -0.21 1.90 0.11 -1.25 0.65 114.38 115.17 3dxt h ARG 338 Ca 0.09 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.17 3dxt h ARG 338 Cb 0.55 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 3dxt h ARG 338 CO -0.34 0.17 0.11 0.78 0.10 0.00 0.00 179.97 180.78 3dxt h GLY 339 N 0.57 0.31 2.00 0.08 0.00 -0.68 -1.86 103.07 103.49 3dxt h GLY 339 Ca -0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 3dxt h GLY 339 CO 0.02 0.12 -0.27 1.46 0.00 0.00 0.00 176.54 177.87 3dxt h GLN 340 N 0.29 0.00 -0.02 4.80 1.08 0.17 -3.33 115.11 118.10 3dxt h GLN 340 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3dxt h GLN 340 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3dxt h GLN 340 CO -0.01 0.27 0.00 -0.25 -0.95 0.00 0.00 178.83 177.89