#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxs s LYS 3 N 0.00 3.51 -0.15 1.64 2.20 -1.26 -0.09 119.74 125.58 1nxs s LYS 3 Ca 0.00 -0.58 -0.02 0.00 -0.36 0.00 0.00 55.97 55.01 1nxs s LYS 3 Cb 0.00 -3.01 -0.02 0.00 -1.51 0.00 0.00 37.83 33.29 1nxs s LYS 3 CO 0.00 -0.04 -0.08 0.42 -0.36 0.00 0.00 175.35 175.29 1nxs s ILE 4 N 1.11 3.46 -0.34 5.43 1.01 -0.05 -0.14 121.20 131.68 1nxs s ILE 4 Ca 0.02 -0.51 -0.15 0.00 0.00 0.00 0.00 60.65 60.01 1nxs s ILE 4 Cb -0.15 -2.50 -0.01 0.00 0.01 0.00 0.00 42.46 39.81 1nxs s ILE 4 CO 0.00 0.50 0.36 -0.22 0.00 0.00 0.00 174.94 175.58 1nxs s LEU 5 N 0.52 4.43 -0.32 2.97 0.20 -0.56 -1.29 118.68 124.63 1nxs s LEU 5 Ca -0.06 -0.22 -0.14 0.00 0.69 0.00 0.00 54.13 54.40 1nxs s LEU 5 Cb -0.15 -2.33 -0.02 0.00 -0.43 0.00 0.00 46.19 43.26 1nxs s LEU 5 CO 0.03 -0.33 0.31 -0.63 -0.29 0.00 0.00 176.35 175.44 1nxs s ILE 6 N 2.01 5.22 -0.37 6.68 1.01 0.05 -1.19 121.20 134.60 1nxs s ILE 6 Ca 0.12 0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.75 1nxs s ILE 6 Cb -0.17 -3.74 0.05 0.00 0.01 0.00 0.00 42.46 38.62 1nxs s ILE 6 CO 0.12 0.01 0.18 -0.69 0.00 0.00 0.00 174.94 174.56 1nxs s VAL 7 N 1.92 4.13 -0.20 2.92 1.01 0.82 -0.84 120.40 130.17 1nxs s VAL 7 Ca 0.10 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 60.85 1nxs s VAL 7 Cb -0.17 -3.39 0.07 0.00 0.00 0.00 0.00 36.38 32.89 1nxs s VAL 7 CO 0.11 -0.30 0.45 -0.62 0.00 0.00 0.00 175.10 174.74 1nxs s ASP 8 N 1.65 -0.48 0.00 3.32 -1.08 -0.23 0.30 116.67 120.16 1nxs s ASP 8 Ca 0.01 1.01 0.29 0.00 -0.52 0.00 0.00 52.55 53.34 1nxs s ASP 8 Cb -0.20 1.09 1.30 0.00 -1.46 0.00 0.00 42.92 43.65 1nxs s ASP 8 CO 0.04 -0.21 1.94 -0.90 0.52 0.00 0.00 175.17 176.56 1nxs n ASP 9 N 4.72 0.05 -4.41 -0.34 5.75 -1.18 -4.27 116.55 116.86 1nxs n ASP 9 Ca -0.17 0.20 -0.41 0.00 -0.01 0.00 0.00 54.79 54.41 1nxs n ASP 9 Cb 0.53 -0.37 -0.11 0.00 -1.03 0.00 0.00 41.12 40.14 1nxs n ASP 9 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1nxs s GLU 10 N -2.84 2.98 0.24 0.11 2.02 -1.26 -5.00 118.70 114.95 1nxs s GLU 10 Ca 0.19 -0.98 -0.07 0.00 0.02 0.00 0.00 54.97 54.14 1nxs s GLU 10 Cb 0.19 -3.76 0.23 0.00 0.10 0.00 0.00 34.13 30.90 1nxs s GLU 10 CO 0.51 -0.65 1.89 -0.22 0.02 0.00 0.00 175.26 176.81 1nxs h LYS 11 N 8.46 1.29 -0.75 1.61 1.63 -1.99 -1.79 116.57 125.03 1nxs h LYS 11 Ca -0.27 -0.12 0.12 0.00 -0.85 0.00 0.00 60.65 59.53 1nxs h LYS 11 Cb 1.12 -0.27 -0.08 0.00 -0.60 0.00 0.00 32.23 32.39 1nxs h LYS 11 CO 0.67 0.90 0.34 -1.35 -3.45 0.00 0.00 179.45 176.56 1nxs h PRO 12 N 1.31 0.52 -0.13 1.90 0.11 -1.98 0.02 132.00 133.75 1nxs h PRO 12 Ca 0.34 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 66.19 1nxs h PRO 12 Cb -0.05 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 30.95 1nxs h PRO 12 CO -0.06 0.34 -0.80 0.82 -0.21 0.00 0.00 178.00 178.09 1nxs h ILE 13 N 0.53 1.28 -0.58 4.15 1.08 -1.89 -2.45 117.51 119.63 1nxs h ILE 13 Ca 0.39 -2.00 0.04 0.00 -0.39 0.00 0.00 64.86 62.90 1nxs h ILE 13 Cb 0.52 2.05 -0.04 0.00 -3.07 0.00 0.00 36.82 36.28 1nxs h ILE 13 CO -0.34 0.63 0.33 -1.28 -0.69 0.00 0.00 178.15 176.80 1nxs h SER 14 N 0.49 0.52 -0.67 1.72 0.87 -1.03 -1.61 113.55 113.84 1nxs h SER 14 Ca -0.06 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1nxs h SER 14 Cb 1.43 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.27 1nxs h SER 14 CO 0.16 0.36 0.41 0.44 -0.53 0.00 0.00 176.83 177.67 1nxs h ASP 15 N 0.65 0.80 -0.35 6.23 3.32 -0.90 0.25 116.42 126.41 1nxs h ASP 15 Ca 0.25 -0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 1nxs h ASP 15 Cb 0.09 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1nxs h ASP 15 CO -0.13 0.62 -0.03 0.40 -1.72 0.00 0.00 179.24 178.37 1nxs h ILE 16 N 0.91 1.27 -0.22 0.35 2.04 -1.03 0.68 117.51 121.50 1nxs h ILE 16 Ca 0.24 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.02 1nxs h ILE 16 Cb -0.04 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1nxs h ILE 16 CO -0.05 0.34 -0.02 0.40 0.00 0.00 0.00 178.15 178.83 1nxs h ILE 17 N 0.44 1.27 -0.31 -0.67 2.04 -1.04 -2.04 117.51 117.19 1nxs h ILE 17 Ca 0.10 -0.95 0.07 0.00 1.00 0.00 0.00 64.86 65.07 1nxs h ILE 17 Cb 0.50 1.44 -0.08 0.00 -0.74 0.00 0.00 36.82 37.95 1nxs h ILE 17 CO 0.02 0.29 -0.22 0.50 0.00 0.00 0.00 178.15 178.75 1nxs h LYS 18 N 0.16 -0.18 -0.31 2.37 3.64 -0.38 0.94 116.57 122.82 1nxs h LYS 18 Ca 0.06 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 1nxs h LYS 18 Cb 0.45 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 1nxs h LYS 18 CO 0.02 -0.12 -0.07 0.35 -2.27 0.00 0.00 179.45 177.35 1nxs h PHE 19 N -0.19 -0.15 -0.28 1.91 3.57 -0.75 -0.06 116.94 120.98 1nxs h PHE 19 Ca 0.16 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.55 1nxs h PHE 19 Cb 0.44 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 1nxs h PHE 19 CO -0.41 -0.13 -0.38 -0.91 -2.23 0.00 0.00 178.31 174.26 1nxs h ASN 20 N 0.01 0.82 -0.62 0.41 -0.26 -1.06 -1.58 115.58 113.30 1nxs h ASN 20 Ca 0.15 -0.50 -0.06 0.00 -0.56 0.00 0.00 56.30 55.33 1nxs h ASN 20 Cb 0.23 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.22 1nxs h ASN 20 CO -0.31 1.16 0.18 0.24 -1.06 0.00 0.00 177.43 177.64 1nxs h MET 21 N 0.51 1.00 -0.40 0.81 2.86 -0.72 -2.49 114.93 116.49 1nxs h MET 21 Ca 0.03 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1nxs h MET 21 Cb 0.96 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 1nxs h MET 21 CO 0.09 0.87 0.14 1.15 1.06 0.00 0.00 176.91 180.22 1nxs h THR 22 N 0.96 1.21 -0.46 2.22 2.02 -0.84 -2.23 112.91 115.79 1nxs h THR 22 Ca 0.21 -0.66 0.09 0.00 0.77 0.00 0.00 66.41 66.82 1nxs h THR 22 Cb 0.30 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1nxs h THR 22 CO -0.00 0.24 0.31 0.11 0.37 0.00 0.00 175.52 176.54 1nxs h LYS 23 N 0.50 0.22 0.00 6.66 1.79 -1.11 0.59 116.57 125.22 1nxs h LYS 23 Ca 0.13 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1nxs h LYS 23 Cb 0.23 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1nxs h LYS 23 CO -0.01 0.14 0.00 0.39 -1.08 0.00 0.00 179.45 178.90 1nxs n GLU 24 N -4.46 0.08 -0.31 3.15 -0.58 -0.90 -4.92 120.64 112.71 1nxs n GLU 24 Ca 0.07 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 1nxs n GLU 24 Cb 0.37 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 1nxs n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nxs n GLY 25 N 0.50 0.84 3.81 0.62 0.00 0.20 -5.08 105.19 106.08 1nxs n GLY 25 Ca 0.04 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1nxs n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nxs s TYR 26 N -2.00 3.45 0.02 1.61 2.02 -0.89 -5.01 117.35 116.55 1nxs s TYR 26 Ca 0.00 1.59 -0.28 0.00 -0.37 0.00 0.00 57.07 58.00 1nxs s TYR 26 Cb 0.00 -2.81 -0.04 0.00 -0.40 0.00 0.00 41.96 38.71 1nxs s TYR 26 CO 0.00 0.04 0.89 -2.00 -1.57 0.00 0.00 175.55 172.91 1nxs s GLU 27 N -2.76 4.56 -0.13 -0.62 2.12 0.87 -4.33 118.70 118.41 1nxs s GLU 27 Ca 0.56 1.28 0.01 0.00 0.36 0.00 0.00 54.97 57.18 1nxs s GLU 27 Cb -0.12 -3.42 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 1nxs s GLU 27 CO 0.17 0.08 -0.15 0.08 -0.54 0.00 0.00 175.26 174.90 1nxs s VAL 28 N 0.57 2.83 0.08 3.70 1.01 -1.26 -0.87 120.40 126.46 1nxs s VAL 28 Ca 0.46 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.79 1nxs s VAL 28 Cb -0.21 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1nxs s VAL 28 CO 0.26 0.53 -0.23 0.68 0.00 0.00 0.00 175.10 176.34 1nxs s VAL 29 N 0.37 2.49 0.11 2.92 -7.23 -0.41 -4.98 120.40 113.67 1nxs s VAL 29 Ca -0.12 -1.45 0.10 0.00 -1.81 0.00 0.00 61.98 58.70 1nxs s VAL 29 Cb -0.16 -2.06 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 1nxs s VAL 29 CO 0.06 0.24 -0.26 0.42 -0.31 0.00 0.00 175.10 175.25 1nxs s THR 30 N -0.97 2.14 0.03 5.32 -4.23 -1.26 -0.77 115.64 115.90 1nxs s THR 30 Ca 0.14 -1.66 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 1nxs s THR 30 Cb -0.10 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.83 1nxs s THR 30 CO 0.06 0.11 -0.06 0.00 -0.54 0.00 0.00 174.62 174.18 1nxs s ALA 31 N -1.03 0.42 -0.23 3.99 0.00 -0.02 -4.93 121.76 119.96 1nxs s ALA 31 Ca 0.12 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.48 1nxs s ALA 31 Cb -0.10 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1nxs s ALA 31 CO 0.05 -0.04 0.62 1.19 0.00 0.00 0.00 175.76 177.59 1nxs n PHE 32 N 1.76 0.01 -3.92 0.00 3.72 -1.26 -1.06 117.46 116.70 1nxs n PHE 32 Ca -0.21 -0.06 -0.10 0.00 -0.05 0.00 0.00 57.45 57.02 1nxs n PHE 32 Cb 0.55 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.08 1nxs n PHE 32 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1nxs s ASN 33 N -0.27 0.24 0.25 4.37 6.03 -1.26 -4.01 114.94 120.29 1nxs s ASN 33 Ca 0.02 -1.16 -0.02 0.00 -1.03 0.00 0.00 52.86 50.68 1nxs s ASN 33 Cb 0.02 0.75 0.31 0.00 -3.03 0.00 0.00 41.25 39.29 1nxs s ASN 33 CO 0.02 -1.46 1.72 1.23 -2.03 0.00 0.00 177.10 176.58 1nxs h GLY 34 N 2.07 0.80 0.85 0.45 0.00 -1.96 -0.67 103.07 104.61 1nxs h GLY 34 Ca -0.29 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.45 1nxs h GLY 34 CO 0.37 0.54 -0.08 -0.09 0.00 0.00 0.00 176.54 177.28 1nxs h ARG 35 N 0.68 -0.22 -0.99 4.80 2.43 -1.98 -1.93 114.38 117.17 1nxs h ARG 35 Ca 0.12 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.40 1nxs h ARG 35 Cb 0.55 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.08 1nxs h ARG 35 CO 0.03 -0.03 0.62 0.93 -1.51 0.00 0.00 179.97 180.02 1nxs h GLU 36 N -0.38 1.03 -0.22 0.20 5.08 -1.95 -1.36 114.58 116.98 1nxs h GLU 36 Ca -0.02 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1nxs h GLU 36 Cb 0.30 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1nxs h GLU 36 CO 0.04 0.68 0.02 0.00 -1.00 0.00 0.00 179.01 178.74 1nxs h ALA 37 N 1.49 0.20 -0.39 3.43 0.00 -0.76 -0.07 119.26 123.17 1nxs h ALA 37 Ca 0.46 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.29 1nxs h ALA 37 Cb 0.33 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1nxs h ALA 37 CO -0.22 -0.41 -0.28 -0.07 0.00 0.00 0.00 179.25 178.27 1nxs h LEU 38 N 0.09 0.85 -0.32 0.00 3.38 -0.94 -0.07 115.31 118.30 1nxs h LEU 38 Ca 0.10 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1nxs h LEU 38 Cb 0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1nxs h LEU 38 CO -0.16 1.07 0.05 -0.33 0.09 0.00 0.00 178.44 179.16 1nxs h GLU 39 N 0.70 0.54 -0.43 1.13 5.08 -0.95 -1.41 114.58 119.23 1nxs h GLU 39 Ca 0.08 -0.15 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 1nxs h GLU 39 Cb 0.82 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1nxs h GLU 39 CO 0.07 0.63 -0.24 1.96 -1.00 0.00 0.00 179.01 180.43 1nxs h GLN 40 N 0.36 0.90 -0.29 2.33 1.08 -0.92 -1.01 115.11 117.56 1nxs h GLN 40 Ca 0.10 -0.39 0.03 0.00 -1.45 0.00 0.00 58.65 56.94 1nxs h GLN 40 Cb 0.36 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.72 1nxs h GLN 40 CO 0.01 1.04 0.09 0.35 -0.95 0.00 0.00 178.83 179.36 1nxs h PHE 41 N 0.77 0.16 -0.38 2.96 3.57 -0.87 0.21 116.94 123.35 1nxs h PHE 41 Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1nxs h PHE 41 Cb 0.80 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 1nxs h PHE 41 CO 0.05 0.06 0.07 0.93 -2.23 0.00 0.00 178.31 177.19 1nxs h GLU 42 N 0.21 0.63 0.17 1.11 5.08 -1.09 -1.79 114.58 118.91 1nxs h GLU 42 Ca 0.13 -0.17 -0.31 0.00 -1.00 0.00 0.00 59.36 58.02 1nxs h GLU 42 Cb 0.11 -0.08 0.03 0.00 0.50 0.00 0.00 28.75 29.31 1nxs h GLU 42 CO -0.14 0.68 -1.32 0.00 -1.00 0.00 0.00 179.01 177.23 1nxs h ALA 43 N 0.92 -0.03 0.00 3.43 0.00 -1.02 -3.38 119.26 119.18 1nxs h ALA 43 Ca 0.12 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1nxs h ALA 43 Cb 0.35 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1nxs h ALA 43 CO 0.01 0.75 -1.69 0.39 0.00 0.00 0.00 179.25 178.71 1nxs n GLU 44 N -3.71 0.53 -3.79 0.00 -0.58 0.71 -5.02 120.64 108.77 1nxs n GLU 44 Ca -0.14 -0.13 -0.36 0.00 -0.42 0.00 0.00 57.16 56.12 1nxs n GLU 44 Cb 1.03 -1.55 0.04 0.00 -0.57 0.00 0.00 31.44 30.39 1nxs n GLU 44 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1nxs n GLN 45 N -2.16 -0.92 -1.14 3.49 6.02 -0.67 -4.89 117.38 117.11 1nxs n GLN 45 Ca -0.02 0.36 -0.32 0.00 -0.01 0.00 0.00 57.00 57.01 1nxs n GLN 45 Cb 0.52 -3.61 0.12 0.00 1.02 0.00 0.00 30.24 28.29 1nxs n GLN 45 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1nxs s PRO 46 N -6.36 1.76 0.39 -1.09 0.04 -1.26 -4.93 135.00 123.54 1nxs s PRO 46 Ca 0.47 1.56 0.23 0.00 0.04 0.00 0.00 61.00 63.30 1nxs s PRO 46 Cb -0.20 -1.81 0.30 0.00 0.04 0.00 0.00 34.50 32.83 1nxs s PRO 46 CO 0.89 -2.08 1.51 -0.44 0.04 0.00 0.00 177.00 176.93 1nxs h ASP 47 N -1.02 0.00 -4.80 6.66 3.32 -0.89 -3.47 116.42 116.22 1nxs h ASP 47 Ca -0.45 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.54 1nxs h ASP 47 Cb 1.27 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.63 1nxs h ASP 47 CO 0.47 0.00 0.14 -0.51 -1.72 0.00 0.00 179.24 177.62 1nxs s ILE 48 N -3.23 0.00 -0.09 0.35 2.07 -1.16 -4.25 121.20 114.88 1nxs s ILE 48 Ca 0.06 -0.03 0.04 0.00 -1.41 0.00 0.00 60.65 59.31 1nxs s ILE 48 Cb 0.06 -0.97 0.00 0.00 0.13 0.00 0.00 42.46 41.68 1nxs s ILE 48 CO 0.69 -0.02 -0.23 -0.63 -1.91 0.00 0.00 174.94 172.85 1nxs s ILE 49 N -0.90 1.95 -0.29 2.00 1.01 -0.19 -1.49 121.20 123.29 1nxs s ILE 49 Ca -0.09 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.50 1nxs s ILE 49 Cb -0.01 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 1nxs s ILE 49 CO 0.08 0.54 0.17 -0.63 0.00 0.00 0.00 174.94 175.10 1nxs s ILE 50 N 0.35 5.08 -0.28 2.92 1.01 -0.34 -0.48 121.20 129.46 1nxs s ILE 50 Ca -0.17 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.49 1nxs s ILE 50 Cb -0.17 -3.46 0.06 0.00 0.01 0.00 0.00 42.46 38.90 1nxs s ILE 50 CO 0.08 0.21 -0.06 -0.22 0.00 0.00 0.00 174.94 174.95 1nxs s LEU 51 N 1.72 3.72 -0.41 2.97 2.96 0.27 -0.12 118.68 129.78 1nxs s LEU 51 Ca 0.07 -1.40 0.09 0.00 -0.22 0.00 0.00 54.13 52.66 1nxs s LEU 51 Cb -0.16 -1.62 0.28 0.00 0.50 0.00 0.00 46.19 45.19 1nxs s LEU 51 CO 0.09 -0.23 0.61 -0.67 -1.32 0.00 0.00 176.35 174.83 1nxs n ASP 52 N 4.49 0.73 0.00 3.68 2.03 0.15 -1.05 116.55 126.58 1nxs n ASP 52 Ca -0.13 -2.86 0.00 0.00 0.52 0.00 0.00 54.79 52.33 1nxs n ASP 52 Cb 0.42 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1nxs n ASP 52 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1nxs n LEU 53 N 1.02 0.00 0.00 -2.67 7.99 -1.26 -3.12 117.00 118.96 1nxs n LEU 53 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.23 1nxs n LEU 53 Cb 0.55 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.86 1nxs n LEU 53 CO 0.21 0.00 0.00 -2.65 -1.51 0.00 0.00 177.39 173.44 1nxs n PRO 56 N 0.00 0.00 -2.28 3.23 -0.01 -1.26 -4.43 135.00 130.26 1nxs n PRO 56 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 63.50 63.07 1nxs n PRO 56 Cb 0.00 -0.40 0.00 0.00 -0.01 0.00 0.00 33.50 33.10 1nxs n PRO 56 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 175.50 173.58 1nxs n GLU 57 N -2.00 3.50 0.00 -0.52 2.13 -1.26 -3.30 120.64 119.18 1nxs n GLU 57 Ca 0.00 -3.40 0.00 0.00 0.66 0.00 0.00 57.16 54.42 1nxs n GLU 57 Cb 0.00 -2.99 0.00 0.00 0.27 0.00 0.00 31.44 28.72 1nxs n GLU 57 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1nxs n ILE 58 N 3.67 0.00 -0.37 6.31 -5.35 -1.26 -5.03 119.36 117.33 1nxs n ILE 58 Ca 0.41 0.00 0.04 0.00 -0.27 0.00 0.00 62.75 62.94 1nxs n ILE 58 Cb 0.37 0.00 0.20 0.00 -1.74 0.00 0.00 39.64 38.47 1nxs n ILE 58 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1nxs h ASP 59 N 0.00 1.00 -0.43 7.28 5.19 -1.88 -0.53 116.42 127.05 1nxs h ASP 59 Ca 0.00 0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.45 1nxs h ASP 59 Cb 0.00 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.30 1nxs h ASP 59 CO 0.00 0.60 0.27 1.23 -3.12 0.00 0.00 179.24 178.22 1nxs h GLY 60 N 1.11 0.60 1.01 2.75 0.00 -1.77 0.23 103.07 106.99 1nxs h GLY 60 Ca 0.46 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1nxs h GLY 60 CO -0.21 0.20 0.40 1.41 0.00 0.00 0.00 176.54 178.33 1nxs h LEU 61 N 0.55 0.90 -0.67 3.11 3.38 -1.67 -1.40 115.31 119.51 1nxs h LEU 61 Ca 0.16 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1nxs h LEU 61 Cb -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1nxs h LEU 61 CO -0.05 0.74 -0.15 -0.33 0.09 0.00 0.00 178.44 178.73 1nxs h GLU 62 N 0.99 0.87 0.04 1.13 4.39 -0.76 -0.54 114.58 120.71 1nxs h GLU 62 Ca 0.25 -0.33 0.01 0.00 0.34 0.00 0.00 59.36 59.64 1nxs h GLU 62 Cb 0.03 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 1nxs h GLU 62 CO -0.04 0.97 -0.10 0.28 -1.16 0.00 0.00 179.01 178.96 1nxs h VAL 63 N 0.77 0.76 -0.24 3.13 2.07 -0.24 0.21 116.25 122.71 1nxs h VAL 63 Ca 0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 1nxs h VAL 63 Cb 0.68 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1nxs h VAL 63 CO 0.05 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.76 1nxs h ALA 64 N 0.75 0.31 -0.70 1.67 0.00 -1.12 -1.03 119.26 119.15 1nxs h ALA 64 Ca 0.02 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.99 1nxs h ALA 64 Cb 0.21 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 1nxs h ALA 64 CO -0.07 -0.14 0.23 -0.22 0.00 0.00 0.00 179.25 179.05 1nxs h LYS 65 N 0.27 0.35 -0.26 0.00 3.64 -0.88 -2.01 116.57 117.68 1nxs h LYS 65 Ca 0.08 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 1nxs h LYS 65 Cb 0.10 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1nxs h LYS 65 CO -0.01 0.23 -0.37 1.15 -2.27 0.00 0.00 179.45 178.18 1nxs h THR 66 N 0.36 1.31 -0.56 1.00 2.02 -0.06 -2.88 112.91 114.10 1nxs h THR 66 Ca 0.38 -1.57 -0.03 0.00 0.77 0.00 0.00 66.41 65.96 1nxs h THR 66 Cb 0.58 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.65 1nxs h THR 66 CO -0.42 0.50 0.20 0.40 0.37 0.00 0.00 175.52 176.58 1nxs h ILE 67 N 0.44 1.21 0.00 3.11 2.04 -0.96 -2.54 117.51 120.81 1nxs h ILE 67 Ca 0.03 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1nxs h ILE 67 Cb 0.96 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1nxs h ILE 67 CO 0.09 0.26 0.00 0.03 0.00 0.00 0.00 178.15 178.53 1nxs h ARG 68 N 0.80 0.00 -0.94 2.37 2.47 -1.16 0.32 114.38 118.25 1nxs h ARG 68 Ca 0.19 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.99 1nxs h ARG 68 Cb 0.19 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.44 1nxs h ARG 68 CO -0.01 0.00 0.59 0.87 0.56 0.00 0.00 179.97 181.97 1nxs h LYS 69 N 0.00 1.00 0.00 0.04 1.57 -1.31 -3.34 116.57 114.54 1nxs h LYS 69 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1nxs h LYS 69 Cb 0.51 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1nxs h LYS 69 CO 0.00 0.66 -1.08 0.25 -0.57 0.00 0.00 179.45 178.72 1nxs n THR 70 N -4.59 0.00 -3.84 -0.16 -2.24 -0.73 -5.07 114.28 97.66 1nxs n THR 70 Ca 0.15 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.58 1nxs n THR 70 Cb 0.22 0.52 -0.11 0.00 -2.10 0.00 0.00 70.33 68.86 1nxs n THR 70 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nxs s SER 71 N -2.59 -0.09 -0.02 3.42 0.15 0.03 -5.02 113.70 109.58 1nxs s SER 71 Ca -0.01 0.10 0.20 0.00 0.70 0.00 0.00 55.95 56.94 1nxs s SER 71 Cb 0.05 0.28 0.62 0.00 -1.71 0.00 0.00 66.02 65.27 1nxs s SER 71 CO 0.34 -0.20 1.52 -1.54 1.20 0.00 0.00 173.24 174.56 1nxs n SER 72 N 2.30 3.83 -4.59 5.45 3.41 -1.26 -4.12 113.62 118.64 1nxs n SER 72 Ca -0.17 -2.09 -0.52 0.00 -0.26 0.00 0.00 58.87 55.83 1nxs n SER 72 Cb 0.57 -0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 1nxs n SER 72 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1nxs n VAL 73 N 1.41 0.00 -1.70 -3.33 3.14 -1.26 -4.85 118.33 111.74 1nxs n VAL 73 Ca 0.23 -0.00 -0.44 0.00 -2.96 0.00 0.00 64.34 61.18 1nxs n VAL 73 Cb 0.63 -0.80 -0.02 0.00 -1.06 0.00 0.00 33.84 32.59 1nxs n VAL 73 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1nxs n PRO 74 N 2.50 2.33 -4.37 1.45 -0.01 -1.26 -4.88 135.00 130.75 1nxs n PRO 74 Ca 0.18 0.83 -0.31 0.00 -0.01 0.00 0.00 63.50 64.19 1nxs n PRO 74 Cb 0.19 -2.55 -0.16 0.00 -0.01 0.00 0.00 33.50 30.96 1nxs n PRO 74 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 175.50 175.91 1nxs s ILE 75 N 0.08 1.86 -0.32 4.25 1.01 -1.26 -1.02 121.20 125.80 1nxs s ILE 75 Ca 0.68 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 60.43 1nxs s ILE 75 Cb -0.59 -1.68 0.03 0.00 0.01 0.00 0.00 42.46 40.24 1nxs s ILE 75 CO 0.48 0.51 0.08 -0.22 0.00 0.00 0.00 174.94 175.78 1nxs s LEU 76 N 1.09 4.07 0.11 2.97 0.20 0.37 -0.45 118.68 127.05 1nxs s LEU 76 Ca -0.02 -1.01 -0.19 0.00 0.69 0.00 0.00 54.13 53.61 1nxs s LEU 76 Cb -0.14 -1.84 -0.07 0.00 -0.43 0.00 0.00 46.19 43.70 1nxs s LEU 76 CO -0.06 -0.27 0.60 -0.04 -0.29 0.00 0.00 176.35 176.29 1nxs s MET 77 N 1.41 4.20 -0.01 1.98 -1.94 -0.16 -0.56 119.30 124.21 1nxs s MET 77 Ca -0.01 0.75 0.05 0.00 -1.71 0.00 0.00 55.69 54.77 1nxs s MET 77 Cb -0.19 -3.14 -0.01 0.00 2.01 0.00 0.00 34.83 33.50 1nxs s MET 77 CO 0.02 0.57 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.92 1nxs s LEU 78 N -1.38 2.03 -0.21 -0.03 1.43 -0.22 -0.59 118.68 119.72 1nxs s LEU 78 Ca 0.33 -0.31 -0.28 0.00 -1.03 0.00 0.00 54.13 52.84 1nxs s LEU 78 Cb -0.19 -0.88 0.13 0.00 0.03 0.00 0.00 46.19 45.28 1nxs s LEU 78 CO 0.20 0.21 1.02 -0.55 0.23 0.00 0.00 176.35 177.46 1nxs s SER 79 N -0.38 -0.39 0.44 2.29 0.15 -0.87 -4.22 113.70 110.71 1nxs s SER 79 Ca 0.06 0.55 0.24 0.00 0.70 0.00 0.00 55.95 57.50 1nxs s SER 79 Cb -0.07 0.50 0.92 0.00 -1.71 0.00 0.00 66.02 65.66 1nxs s SER 79 CO -0.01 -0.27 1.83 0.00 1.20 0.00 0.00 173.24 176.00 1nxs h ALA 80 N 3.14 1.03 -2.63 5.45 0.00 -1.88 0.14 119.26 124.51 1nxs h ALA 80 Ca -0.22 -0.21 -0.53 0.00 0.00 0.00 0.00 54.91 53.96 1nxs h ALA 80 Cb 1.17 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.95 1nxs h ALA 80 CO 0.24 0.28 0.66 0.15 0.00 0.00 0.00 179.25 180.58 1nxs s LYS 81 N -3.66 4.38 -0.03 0.00 1.02 -1.26 -4.66 119.74 115.53 1nxs s LYS 81 Ca 0.00 2.02 0.04 0.00 0.02 0.00 0.00 55.97 58.06 1nxs s LYS 81 Cb 0.10 -3.22 0.07 0.00 -0.52 0.00 0.00 37.83 34.26 1nxs s LYS 81 CO 0.64 -0.29 0.97 -0.40 -0.92 0.00 0.00 175.35 175.34 1nxs n ASP 82 N 3.08 0.64 -4.91 2.83 5.75 -1.26 -4.84 116.55 117.84 1nxs n ASP 82 Ca 0.08 -2.11 -0.27 0.00 -0.01 0.00 0.00 54.79 52.47 1nxs n ASP 82 Cb 0.43 -0.21 0.01 0.00 -1.03 0.00 0.00 41.12 40.32 1nxs n ASP 82 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1nxs s SER 83 N -1.29 5.94 0.18 -1.12 1.04 -1.26 -4.91 113.70 112.28 1nxs s SER 83 Ca 0.07 0.84 -0.13 0.00 0.48 0.00 0.00 55.95 57.21 1nxs s SER 83 Cb 0.06 -1.99 0.09 0.00 0.10 0.00 0.00 66.02 64.28 1nxs s SER 83 CO 0.01 -0.82 1.85 -0.08 0.98 0.00 0.00 173.24 175.17 1nxs h GLU 84 N 0.01 0.77 -0.62 4.02 4.81 -1.99 -1.61 114.58 119.97 1nxs h GLU 84 Ca -0.46 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 58.77 1nxs h GLU 84 Cb 1.23 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 30.39 1nxs h GLU 84 CO 0.61 0.51 0.36 0.35 -0.73 0.00 0.00 179.01 180.11 1nxs h PHE 85 N 0.79 0.66 -0.25 0.92 3.57 -1.98 0.02 116.94 120.66 1nxs h PHE 85 Ca 0.21 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.71 1nxs h PHE 85 Cb -0.09 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 1nxs h PHE 85 CO -0.03 0.34 0.05 -0.44 -2.23 0.00 0.00 178.31 176.00 1nxs h ASP 86 N 0.68 0.39 -0.14 0.41 3.32 -1.69 -0.15 116.42 119.24 1nxs h ASP 86 Ca 0.27 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1nxs h ASP 86 Cb 0.11 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1nxs h ASP 86 CO -0.14 0.55 0.04 0.11 -1.72 0.00 0.00 179.24 178.08 1nxs h LYS 87 N 0.23 0.22 -0.26 3.56 1.57 -1.23 -1.68 116.57 118.98 1nxs h LYS 87 Ca 0.08 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1nxs h LYS 87 Cb 0.32 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1nxs h LYS 87 CO 0.00 0.35 0.16 0.28 -0.57 0.00 0.00 179.45 179.68 1nxs h VAL 88 N 0.05 1.09 -0.28 0.50 2.07 -0.89 -2.27 116.25 116.51 1nxs h VAL 88 Ca 0.05 -0.20 -0.13 0.00 0.82 0.00 0.00 66.70 67.24 1nxs h VAL 88 Cb 0.22 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1nxs h VAL 88 CO -0.00 0.09 -0.34 -0.29 0.02 0.00 0.00 177.57 177.04 1nxs h ILE 89 N 0.34 1.29 -0.23 4.57 6.09 -1.01 -1.51 117.51 127.04 1nxs h ILE 89 Ca 0.09 -1.48 0.02 0.00 -1.37 0.00 0.00 64.86 62.12 1nxs h ILE 89 Cb -0.00 1.44 -0.02 0.00 0.47 0.00 0.00 36.82 38.71 1nxs h ILE 89 CO -0.02 0.47 0.10 1.23 -3.07 0.00 0.00 178.15 176.86 1nxs h GLY 90 N 1.01 0.29 0.87 8.18 0.00 -1.05 -2.34 103.07 110.03 1nxs h GLY 90 Ca 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1nxs h GLY 90 CO 0.07 0.05 0.06 1.41 0.00 0.00 0.00 176.54 178.13 1nxs h LEU 91 N 0.21 0.31 -0.85 3.11 3.38 -1.28 -2.33 115.31 117.85 1nxs h LEU 91 Ca 0.10 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.93 1nxs h LEU 91 Cb 0.05 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.65 1nxs h LEU 91 CO -0.08 0.44 0.51 -0.33 0.09 0.00 0.00 178.44 179.07 1nxs h GLU 92 N 0.16 0.87 0.00 1.13 4.39 -1.23 -0.99 114.58 118.92 1nxs h GLU 92 Ca 0.07 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1nxs h GLU 92 Cb 0.25 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1nxs h GLU 92 CO -0.00 0.58 0.00 1.28 -1.16 0.00 0.00 179.01 179.70 1nxs n LEU 93 N -4.67 0.00 0.00 1.33 4.77 -0.89 -4.87 117.00 112.67 1nxs n LEU 93 Ca 0.13 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1nxs n LEU 93 Cb 0.23 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1nxs n LEU 93 CO 0.29 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1nxs n GLY 94 N 0.50 1.05 3.66 -0.72 0.00 -0.38 -3.85 105.19 105.46 1nxs n GLY 94 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1nxs n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nxs n ALA 95 N 0.00 0.84 0.09 4.61 0.00 -0.89 -4.72 120.51 120.44 1nxs n ALA 95 Ca 0.00 0.31 0.08 0.00 0.00 0.00 0.00 53.44 53.83 1nxs n ALA 95 Cb 0.00 -2.19 -0.01 0.00 0.00 0.00 0.00 19.45 17.25 1nxs n ALA 95 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nxs h ASP 96 N 2.11 0.00 -5.05 0.00 3.32 -1.08 -3.40 116.42 112.32 1nxs h ASP 96 Ca -0.45 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 1nxs h ASP 96 Cb 1.31 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.74 1nxs h ASP 96 CO 0.60 0.17 0.05 -0.62 -1.72 0.00 0.00 179.24 177.72 1nxs s ASP 97 N -5.55 -0.36 -0.11 6.45 -1.08 -1.16 -5.03 116.67 109.83 1nxs s ASP 97 Ca -0.01 -0.23 -0.04 0.00 -0.52 0.00 0.00 52.55 51.75 1nxs s ASP 97 Cb 0.09 0.54 0.05 0.00 -1.46 0.00 0.00 42.92 42.14 1nxs s ASP 97 CO 0.79 -0.93 0.22 -0.47 0.52 0.00 0.00 175.17 175.30 1nxs s TYR 98 N -3.80 -0.31 -0.06 -5.34 6.14 -1.26 -0.99 117.35 111.74 1nxs s TYR 98 Ca 0.03 0.80 0.05 0.00 0.64 0.00 0.00 57.07 58.59 1nxs s TYR 98 Cb 0.00 -0.10 -0.00 0.00 0.42 0.00 0.00 41.96 42.28 1nxs s TYR 98 CO -0.11 -0.30 -0.20 0.08 0.64 0.00 0.00 175.55 175.66 1nxs s VAL 99 N 2.14 1.68 0.37 3.14 1.01 0.24 -4.98 120.40 124.00 1nxs s VAL 99 Ca -0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.04 1nxs s VAL 99 Cb -0.12 -1.44 -0.06 0.00 0.00 0.00 0.00 36.38 34.76 1nxs s VAL 99 CO -0.07 0.47 0.72 0.42 0.00 0.00 0.00 175.10 176.64 1nxs s THR 100 N 0.05 4.83 -0.17 3.92 -4.23 -1.26 -2.06 115.64 116.72 1nxs s THR 100 Ca -0.06 0.53 -0.08 0.00 -1.18 0.00 0.00 61.69 60.90 1nxs s THR 100 Cb -0.13 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 69.95 1nxs s THR 100 CO 0.03 -0.44 0.11 -0.54 -0.54 0.00 0.00 174.62 173.25 1nxs s LYS 101 N -3.68 3.89 0.45 3.99 1.02 0.49 -3.52 119.74 122.39 1nxs s LYS 101 Ca 0.50 -0.23 -0.12 0.00 0.02 0.00 0.00 55.97 56.15 1nxs s LYS 101 Cb -0.10 -3.29 -0.06 0.00 -0.52 0.00 0.00 37.83 33.85 1nxs s LYS 101 CO 0.29 0.45 0.84 -1.25 -0.92 0.00 0.00 175.35 174.76 1nxs s PRO 102 N -0.08 3.79 0.26 -1.68 0.04 -1.26 -4.51 135.00 131.56 1nxs s PRO 102 Ca 0.09 0.59 0.11 0.00 0.04 0.00 0.00 61.00 61.83 1nxs s PRO 102 Cb -0.12 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 32.07 1nxs s PRO 102 CO 0.00 -0.14 -0.18 -0.59 0.04 0.00 0.00 177.00 176.13 1nxs s PHE 103 N -2.51 2.15 -0.07 0.56 -0.12 -1.23 -5.11 117.98 111.65 1nxs s PHE 103 Ca 0.53 -0.39 -0.29 0.00 -0.05 0.00 0.00 56.93 56.73 1nxs s PHE 103 Cb -0.10 -0.95 -0.02 0.00 -0.63 0.00 0.00 43.02 41.31 1nxs s PHE 103 CO 0.34 0.63 0.97 0.45 -0.05 0.00 0.00 175.22 177.55 1nxs s SER 104 N -3.47 7.25 0.23 1.98 0.15 -1.26 -4.95 113.70 113.64 1nxs s SER 104 Ca 0.28 1.53 -0.06 0.00 0.70 0.00 0.00 55.95 58.40 1nxs s SER 104 Cb -0.04 -2.54 0.33 0.00 -1.71 0.00 0.00 66.02 62.06 1nxs s SER 104 CO 0.13 -0.35 1.83 0.78 1.20 0.00 0.00 173.24 176.82 1nxs h ASN 105 N 6.98 0.71 0.00 5.45 2.35 -1.99 -2.50 115.58 126.58 1nxs h ASN 105 Ca -0.35 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1nxs h ASN 105 Cb 1.18 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.43 1nxs h ASN 105 CO 0.81 0.44 0.00 0.54 -1.65 0.00 0.00 177.43 177.57 1nxs n ARG 106 N -4.70 0.00 0.00 0.81 5.12 -1.26 -1.58 116.66 115.05 1nxs n ARG 106 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 1nxs n ARG 106 Cb 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.51 1nxs n ARG 106 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 1nxs n GLU 107 N 0.00 0.00 -0.34 5.56 2.13 -1.25 0.57 120.64 127.31 1nxs n GLU 107 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 1nxs n GLU 107 Cb 0.00 0.00 0.09 0.00 0.27 0.00 0.00 31.44 31.80 1nxs n GLU 107 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1nxs h LEU 108 N 0.00 1.06 -0.59 4.31 5.85 -1.46 1.57 115.31 126.05 1nxs h LEU 108 Ca 0.00 -0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1nxs h LEU 108 Cb 0.00 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 1nxs h LEU 108 CO 0.00 0.79 0.33 1.56 -0.34 0.00 0.00 178.44 180.78 1nxs h GLN 109 N 1.24 0.62 -0.17 1.25 4.20 1.65 -0.74 115.11 123.15 1nxs h GLN 109 Ca 0.33 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.88 1nxs h GLN 109 Cb -0.10 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 1nxs h GLN 109 CO -0.07 0.41 -0.42 0.00 -0.67 0.00 0.00 178.83 178.08 1nxs h ALA 110 N 1.30 0.97 -0.27 3.87 0.00 0.14 -1.93 119.26 123.33 1nxs h ALA 110 Ca 0.26 -0.43 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1nxs h ALA 110 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1nxs h ALA 110 CO -0.15 0.63 -0.47 0.00 0.00 0.00 0.00 179.25 179.26 1nxs h ARG 111 N 0.32 0.73 -0.54 0.00 3.08 0.24 0.30 114.38 118.52 1nxs h ARG 111 Ca 0.03 -0.42 -0.08 0.00 0.07 0.00 0.00 59.98 59.58 1nxs h ARG 111 Cb 0.88 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 1nxs h ARG 111 CO 0.07 1.04 0.02 0.28 -1.07 0.00 0.00 179.97 180.32 1nxs h VAL 112 N 0.58 1.26 -0.46 2.04 2.07 -1.00 -0.95 116.25 119.80 1nxs h VAL 112 Ca 0.03 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1nxs h VAL 112 Cb 1.03 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1nxs h VAL 112 CO 0.10 0.38 0.21 0.11 0.02 0.00 0.00 177.57 178.39 1nxs h LYS 113 N 0.81 0.67 -0.58 1.57 1.57 -1.15 -0.95 116.57 118.50 1nxs h LYS 113 Ca 0.15 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1nxs h LYS 113 Cb 0.50 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1nxs h LYS 113 CO 0.02 0.58 0.31 0.00 -0.57 0.00 0.00 179.45 179.80 1nxs h ALA 114 N 1.05 0.74 -0.40 3.86 0.00 -0.70 0.42 119.26 124.24 1nxs h ALA 114 Ca 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1nxs h ALA 114 Cb 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1nxs h ALA 114 CO -0.02 0.26 0.21 -0.07 0.00 0.00 0.00 179.25 179.64 1nxs h LEU 115 N 0.78 0.50 -0.95 0.00 3.38 -0.90 -1.99 115.31 116.13 1nxs h LEU 115 Ca 0.20 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1nxs h LEU 115 Cb 0.06 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1nxs h LEU 115 CO -0.03 0.45 0.16 -0.07 0.09 0.00 0.00 178.44 179.04 1nxs h LEU 116 N 0.51 0.87 -1.27 1.67 3.38 -0.82 -1.65 115.31 118.00 1nxs h LEU 116 Ca 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1nxs h LEU 116 Cb 0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1nxs h LEU 116 CO -0.02 0.83 0.24 -0.09 0.09 0.00 0.00 178.44 179.49 1nxs h ARG 117 N 0.89 0.74 0.00 1.13 2.43 -0.57 -0.91 114.38 118.10 1nxs h ARG 117 Ca 0.19 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1nxs h ARG 117 Cb 0.30 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1nxs h ARG 117 CO -0.00 0.59 -0.69 0.54 -1.51 0.00 0.00 179.97 178.89 1nxs n ARG 118 N -4.36 0.26 0.00 0.20 5.12 -0.78 -3.64 116.66 113.46 1nxs n ARG 118 Ca 0.04 0.06 0.06 0.00 -1.93 0.00 0.00 57.85 56.08 1nxs n ARG 118 Cb 0.14 -1.65 -0.02 0.00 -1.16 0.00 0.00 32.46 29.77 1nxs n ARG 118 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1nxs n SER 119 N -2.02 1.07 0.00 0.55 7.64 -0.65 -5.08 113.62 115.13 1nxs n SER 119 Ca 0.03 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.87 1nxs n SER 119 Cb 0.43 0.63 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 1nxs n SER 119 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70