#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c0r n GLN 2 N 0.00 1.31 -2.72 2.12 -0.00 -1.26 -3.95 117.38 112.88 3c0r n GLN 2 Ca 0.00 0.28 -0.22 0.00 -0.00 0.00 0.00 57.00 57.06 3c0r n GLN 2 Cb 0.00 -2.93 0.08 0.00 -0.00 0.00 0.00 30.24 27.39 3c0r n GLN 2 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.06 178.02 3c0r s ILE 3 N 9.05 2.25 0.01 -0.39 -4.36 -1.26 -3.39 121.20 123.11 3c0r s ILE 3 Ca 1.05 -0.72 0.06 0.00 -0.26 0.00 0.00 60.65 60.78 3c0r s ILE 3 Cb -0.52 -2.53 -0.02 0.00 1.25 0.00 0.00 42.46 40.63 3c0r s ILE 3 CO 0.38 0.00 -0.18 -0.36 0.24 0.00 0.00 174.94 175.02 3c0r s PHE 4 N -2.94 1.64 -0.15 1.37 0.08 -1.19 -0.44 117.98 116.36 3c0r s PHE 4 Ca 0.63 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 57.36 3c0r s PHE 4 Cb -0.06 -1.02 0.02 0.00 -0.57 0.00 0.00 43.02 41.38 3c0r s PHE 4 CO 0.42 0.02 -0.16 0.08 -0.10 0.00 0.00 175.22 175.47 3c0r s VAL 5 N -0.58 1.73 -0.15 -0.44 1.01 0.09 -0.55 120.40 121.49 3c0r s VAL 5 Ca 0.07 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 3c0r s VAL 5 Cb -0.08 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3c0r s VAL 5 CO 0.00 0.48 0.14 -0.75 0.00 0.00 0.00 175.10 174.97 3c0r s LYS 6 N 1.31 3.74 0.23 2.72 2.20 0.54 -0.06 119.74 130.41 3c0r s LYS 6 Ca 0.02 -0.17 0.08 0.00 -0.36 0.00 0.00 55.97 55.54 3c0r s LYS 6 Cb -0.13 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 3c0r s LYS 6 CO -0.09 0.59 0.08 0.95 -0.36 0.00 0.00 175.35 176.52 3c0r s THR 7 N -0.47 3.98 -1.15 3.43 -4.23 -0.57 -1.28 115.64 115.34 3c0r s THR 7 Ca 0.12 -1.53 0.04 0.00 -1.18 0.00 0.00 61.69 59.14 3c0r s THR 7 Cb -0.12 -3.09 0.04 0.00 1.34 0.00 0.00 72.50 70.67 3c0r s THR 7 CO 0.02 -0.27 1.05 0.18 -0.54 0.00 0.00 174.62 175.05 3c0r n LEU 8 N -0.74 0.00 -1.47 4.79 4.77 -1.25 -2.18 117.00 120.93 3c0r n LEU 8 Ca -0.08 0.43 0.09 0.00 -0.03 0.00 0.00 56.01 56.41 3c0r n LEU 8 Cb 0.57 -0.43 0.34 0.00 -2.33 0.00 0.00 43.42 41.57 3c0r n LEU 8 CO 0.41 -0.37 0.80 0.35 -1.33 0.00 0.00 177.39 177.25 3c0r n THR 9 N -1.43 1.96 -1.00 -5.08 -2.24 -1.26 -4.93 114.28 100.30 3c0r n THR 9 Ca 0.01 -1.30 0.00 0.00 -2.27 0.00 0.00 64.05 60.49 3c0r n THR 9 Cb 0.04 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 3c0r n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3c0r n GLY 10 N 0.80 0.64 3.76 3.38 0.00 -0.93 -5.01 105.19 107.84 3c0r n GLY 10 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 3c0r n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3c0r s LYS 11 N -0.04 4.13 -0.20 1.61 2.20 -1.26 -4.94 119.74 121.25 3c0r s LYS 11 Ca 0.00 0.19 -0.03 0.00 -0.36 0.00 0.00 55.97 55.78 3c0r s LYS 11 Cb 0.00 -3.36 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 3c0r s LYS 11 CO 0.00 0.37 -0.07 0.99 -0.36 0.00 0.00 175.35 176.27 3c0r s THR 12 N 0.04 3.21 -0.09 3.43 2.01 -1.26 -1.52 115.64 121.47 3c0r s THR 12 Ca 0.19 -0.56 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 3c0r s THR 12 Cb -0.14 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 3c0r s THR 12 CO 0.07 0.46 0.08 -0.51 -0.69 0.00 0.00 174.62 174.02 3c0r s ILE 13 N 1.20 4.95 -0.33 1.82 2.07 0.91 -4.91 121.20 126.92 3c0r s ILE 13 Ca 0.02 -0.04 -0.06 0.00 -1.41 0.00 0.00 60.65 59.16 3c0r s ILE 13 Cb -0.14 -3.15 0.04 0.00 0.13 0.00 0.00 42.46 39.34 3c0r s ILE 13 CO -0.02 0.58 0.08 -0.89 -1.91 0.00 0.00 174.94 172.78 3c0r s THR 14 N -1.00 3.69 0.00 4.00 2.01 -1.26 -0.73 115.64 122.34 3c0r s THR 14 Ca 0.15 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 61.06 3c0r s THR 14 Cb -0.12 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.34 3c0r s THR 14 CO 0.05 -0.12 0.00 0.18 -0.69 0.00 0.00 174.62 174.04 3c0r n LEU 15 N 4.79 0.00 -2.91 4.42 4.77 0.42 -4.94 117.00 123.55 3c0r n LEU 15 Ca -0.13 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3c0r n LEU 15 Cb 0.45 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 3c0r n LEU 15 CO 0.31 0.00 0.28 -0.70 -1.33 0.00 0.00 177.39 175.95 3c0r s GLU 16 N 1.95 0.55 0.43 3.23 2.56 -1.26 -4.05 118.70 122.11 3c0r s GLU 16 Ca 0.00 -0.32 0.08 0.00 0.00 0.00 0.00 54.97 54.73 3c0r s GLU 16 Cb 0.00 0.03 -0.01 0.00 2.00 0.00 0.00 34.13 36.15 3c0r s GLU 16 CO 0.00 -0.76 0.43 0.14 -0.56 0.00 0.00 175.26 174.51 3c0r s VAL 17 N 1.60 2.65 0.02 3.70 -7.23 -1.25 -4.94 120.40 114.94 3c0r s VAL 17 Ca 0.19 -1.28 0.08 0.00 -1.81 0.00 0.00 61.98 59.16 3c0r s VAL 17 Cb 0.02 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 3c0r s VAL 17 CO -0.10 0.00 -0.24 -1.61 -0.31 0.00 0.00 175.10 172.84 3c0r s GLU 18 N -4.19 1.76 0.46 4.82 0.41 -1.26 -4.68 118.70 116.03 3c0r s GLU 18 Ca 0.49 -0.97 0.31 0.00 -0.41 0.00 0.00 54.97 54.39 3c0r s GLU 18 Cb -0.04 -1.83 1.40 0.00 -1.78 0.00 0.00 34.13 31.88 3c0r s GLU 18 CO 0.29 0.48 1.69 -1.35 -0.49 0.00 0.00 175.26 175.89 3c0r h PRO 19 N 5.11 0.14 0.00 0.39 0.11 -1.97 0.54 132.00 136.32 3c0r h PRO 19 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3c0r h PRO 19 Cb 1.14 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3c0r h PRO 19 CO 0.45 0.09 0.00 0.66 -0.21 0.00 0.00 178.00 178.99 3c0r h SER 20 N 0.14 0.00 -2.08 -2.05 4.64 -1.96 -1.46 113.55 110.78 3c0r h SER 20 Ca 0.72 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 61.41 3c0r h SER 20 Cb 2.37 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 64.52 3c0r h SER 20 CO -0.25 0.00 0.56 0.47 -0.87 0.00 0.00 176.83 176.74 3c0r n ASP 21 N -2.70 2.26 -3.47 4.97 8.00 0.19 -4.60 116.55 121.19 3c0r n ASP 21 Ca 0.04 1.11 -0.25 0.00 0.71 0.00 0.00 54.79 56.41 3c0r n ASP 21 Cb 0.47 -1.31 0.19 0.00 -0.02 0.00 0.00 41.12 40.45 3c0r n ASP 21 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3c0r n THR 22 N 2.55 0.00 0.10 -3.53 -2.24 -1.26 -2.08 114.28 107.82 3c0r n THR 22 Ca 0.16 -0.59 -0.19 0.00 -2.27 0.00 0.00 64.05 61.16 3c0r n THR 22 Cb 0.25 -1.37 -0.12 0.00 -2.10 0.00 0.00 70.33 66.99 3c0r n THR 22 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3c0r h ILE 23 N -2.14 1.37 -0.43 2.28 1.08 -1.10 -2.16 117.51 116.42 3c0r h ILE 23 Ca -0.35 -2.70 0.05 0.00 -0.39 0.00 0.00 64.86 61.48 3c0r h ILE 23 Cb 1.02 2.79 -0.05 0.00 -3.07 0.00 0.00 36.82 37.52 3c0r h ILE 23 CO 0.24 0.80 0.15 -0.33 -0.69 0.00 0.00 178.15 178.32 3c0r h GLU 24 N 0.18 0.31 -0.48 2.37 5.08 -1.81 0.27 114.58 120.51 3c0r h GLU 24 Ca -0.16 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3c0r h GLU 24 Cb 1.92 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 31.01 3c0r h GLU 24 CO 0.22 0.20 -0.11 -0.91 -1.00 0.00 0.00 179.01 177.42 3c0r h ASN 25 N 0.32 -0.42 -0.71 1.42 2.35 -1.85 0.19 115.58 116.87 3c0r h ASN 25 Ca 0.20 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 3c0r h ASN 25 Cb 0.20 0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 3c0r h ASN 25 CO -0.21 -0.15 0.45 0.58 -1.65 0.00 0.00 177.43 176.45 3c0r h VAL 26 N 0.01 1.20 -0.42 2.81 2.07 -0.62 0.62 116.25 121.91 3c0r h VAL 26 Ca 0.23 -0.41 -0.15 0.00 0.82 0.00 0.00 66.70 67.19 3c0r h VAL 26 Cb 0.35 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3c0r h VAL 26 CO -0.48 0.20 -0.32 0.11 0.02 0.00 0.00 177.57 177.10 3c0r h LYS 27 N 0.97 0.96 -0.26 1.57 1.57 -0.22 -1.23 116.57 119.94 3c0r h LYS 27 Ca 0.26 -0.47 -0.05 0.00 -1.87 0.00 0.00 60.65 58.52 3c0r h LYS 27 Cb -0.06 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3c0r h LYS 27 CO -0.05 1.14 -0.06 0.00 -0.57 0.00 0.00 179.45 179.91 3c0r h ALA 28 N 0.81 1.43 -0.47 3.86 0.00 -0.31 0.11 119.26 124.68 3c0r h ALA 28 Ca 0.08 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3c0r h ALA 28 Cb 0.91 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3c0r h ALA 28 CO 0.08 0.40 -0.05 0.87 0.00 0.00 0.00 179.25 180.56 3c0r h LYS 29 N 0.38 0.87 -0.56 0.00 1.57 -0.46 -2.43 116.57 115.94 3c0r h LYS 29 Ca 0.08 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 3c0r h LYS 29 Cb 0.35 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3c0r h LYS 29 CO 0.02 0.93 0.23 0.82 -0.57 0.00 0.00 179.45 180.88 3c0r h ILE 30 N 0.71 1.20 -0.81 1.86 2.04 -0.49 -2.22 117.51 119.80 3c0r h ILE 30 Ca 0.13 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.40 3c0r h ILE 30 Cb 0.58 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 3c0r h ILE 30 CO 0.03 0.25 0.53 -0.61 0.00 0.00 0.00 178.15 178.36 3c0r h GLN 31 N 0.81 0.97 -0.30 2.37 4.15 -0.49 0.18 115.11 122.79 3c0r h GLN 31 Ca 0.19 -0.06 -0.05 0.00 0.77 0.00 0.00 58.65 59.51 3c0r h GLN 31 Cb 0.15 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 3c0r h GLN 31 CO -0.02 0.64 0.00 -0.44 -1.93 0.00 0.00 178.83 177.08 3c0r h ASP 32 N 1.00 0.52 0.07 -0.69 3.32 -0.93 0.99 116.42 120.69 3c0r h ASP 32 Ca 0.32 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3c0r h ASP 32 Cb 0.05 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3c0r h ASP 32 CO -0.10 0.70 -0.03 0.11 -1.72 0.00 0.00 179.24 178.20 3c0r h LYS 33 N 0.33 -0.09 0.00 3.56 1.57 -1.31 -3.39 116.57 117.23 3c0r h LYS 33 Ca 0.09 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3c0r h LYS 33 Cb 0.43 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3c0r h LYS 33 CO 0.02 0.33 -0.90 0.39 -0.57 0.00 0.00 179.45 178.72 3c0r n GLU 34 N -4.79 0.13 -3.15 3.15 -0.58 0.62 -4.98 120.64 111.04 3c0r n GLU 34 Ca -0.05 -0.01 -0.15 0.00 -0.42 0.00 0.00 57.16 56.53 3c0r n GLU 34 Cb 0.22 -1.54 0.06 0.00 -0.57 0.00 0.00 31.44 29.61 3c0r n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3c0r n GLY 35 N 1.44 -0.08 3.07 0.62 0.00 0.34 -4.99 105.19 105.59 3c0r n GLY 35 Ca 0.03 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3c0r n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3c0r s ILE 36 N -3.23 1.71 0.28 -0.61 1.01 -1.25 -5.01 121.20 114.11 3c0r s ILE 36 Ca 0.25 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.86 3c0r s ILE 36 Cb -0.11 -1.57 -0.11 0.00 0.01 0.00 0.00 42.46 40.68 3c0r s ILE 36 CO 0.50 0.48 1.52 -2.84 0.00 0.00 0.00 174.94 174.60 3c0r s PRO 37 N 1.22 4.19 0.57 2.79 0.02 -1.26 -3.87 135.00 138.65 3c0r s PRO 37 Ca 0.00 2.46 0.29 0.00 0.02 0.00 0.00 61.00 63.77 3c0r s PRO 37 Cb -0.14 -3.06 1.47 0.00 0.02 0.00 0.00 34.50 32.80 3c0r s PRO 37 CO -0.07 -0.53 1.92 -1.35 -0.33 0.00 0.00 177.00 176.64 3c0r h PRO 38 N 4.77 0.00 0.00 5.54 0.11 -1.97 -1.26 132.00 139.20 3c0r h PRO 38 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3c0r h PRO 38 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3c0r h PRO 38 CO 0.77 0.00 0.00 0.38 -0.21 0.00 0.00 178.00 178.94 3c0r h ASP 39 N 0.00 0.00 -0.29 -2.05 -0.00 -1.97 -2.81 116.42 109.30 3c0r h ASP 39 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.29 3c0r h ASP 39 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.55 3c0r h ASP 39 CO -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.24 3c0r n GLN 40 N -2.59 2.21 -3.69 4.15 1.13 -0.48 -4.92 117.38 113.19 3c0r n GLN 40 Ca 0.04 -1.82 -0.35 0.00 -1.94 0.00 0.00 57.00 52.92 3c0r n GLN 40 Cb 0.42 -1.47 -0.08 0.00 0.11 0.00 0.00 30.24 29.22 3c0r n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3c0r s GLN 41 N -1.63 4.20 -0.16 -1.09 -0.21 -1.06 -0.67 119.66 119.03 3c0r s GLN 41 Ca 0.36 -0.16 -0.02 0.00 0.02 0.00 0.00 55.36 55.55 3c0r s GLN 41 Cb 0.21 -3.43 -0.02 0.00 1.00 0.00 0.00 33.01 30.77 3c0r s GLN 41 CO 0.29 0.27 -0.07 1.03 -2.12 0.00 0.00 175.29 174.70 3c0r s ARG 42 N 0.42 3.49 -0.18 2.91 0.52 0.85 -4.96 118.95 122.01 3c0r s ARG 42 Ca 0.10 -0.61 -0.06 0.00 -0.52 0.00 0.00 55.73 54.64 3c0r s ARG 42 Cb -0.11 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 3c0r s ARG 42 CO -0.01 0.11 0.02 -0.51 0.02 0.00 0.00 175.30 174.93 3c0r s LEU 43 N 0.67 3.52 -0.04 2.53 1.43 -1.26 -1.57 118.68 123.96 3c0r s LEU 43 Ca -0.04 -0.04 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 3c0r s LEU 43 Cb -0.15 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 3c0r s LEU 43 CO 0.02 0.15 -0.25 -0.63 0.23 0.00 0.00 176.35 175.88 3c0r s ILE 44 N 0.49 1.99 -0.10 -0.59 1.01 0.96 -1.73 121.20 123.23 3c0r s ILE 44 Ca 0.00 -1.05 -0.07 0.00 0.00 0.00 0.00 60.65 59.53 3c0r s ILE 44 Cb -0.13 -1.66 0.03 0.00 0.01 0.00 0.00 42.46 40.70 3c0r s ILE 44 CO 0.02 0.56 0.25 0.12 0.00 0.00 0.00 174.94 175.88 3c0r s PHE 45 N -0.35 -0.29 -1.36 3.97 5.36 -0.69 -0.70 117.98 123.91 3c0r s PHE 45 Ca 0.03 0.71 -0.07 0.00 -0.96 0.00 0.00 56.93 56.64 3c0r s PHE 45 Cb -0.12 0.08 0.04 0.00 -0.34 0.00 0.00 43.02 42.68 3c0r s PHE 45 CO 0.01 -0.17 0.47 0.00 -1.46 0.00 0.00 175.22 174.07 3c0r n ALA 46 N 3.43 -0.99 -0.76 11.12 0.00 -1.26 0.11 120.51 132.16 3c0r n ALA 46 Ca -0.17 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3c0r n ALA 46 Cb 0.56 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 17.01 3c0r n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3c0r n GLY 47 N -1.25 0.79 3.70 0.00 0.00 -1.26 -4.97 105.19 102.20 3c0r n GLY 47 Ca -0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 3c0r n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3c0r s LYS 48 N -0.30 4.42 -0.84 1.61 1.02 0.30 -5.00 119.74 120.94 3c0r s LYS 48 Ca 0.00 0.98 -0.25 0.00 0.02 0.00 0.00 55.97 56.72 3c0r s LYS 48 Cb 0.00 -3.48 0.03 0.00 -0.52 0.00 0.00 37.83 33.86 3c0r s LYS 48 CO 0.00 -0.04 1.38 -1.14 -0.92 0.00 0.00 175.35 174.63 3c0r s GLN 49 N 1.13 3.30 0.47 1.68 2.00 -1.26 -1.71 119.66 125.27 3c0r s GLN 49 Ca 0.40 -0.53 -0.24 0.00 -2.00 0.00 0.00 55.36 52.99 3c0r s GLN 49 Cb -0.18 -4.64 -0.07 0.00 0.80 0.00 0.00 33.01 28.92 3c0r s GLN 49 CO 0.18 -2.23 1.29 -0.51 -0.50 0.00 0.00 175.29 173.53 3c0r s LEU 50 N 5.71 4.03 -0.14 3.68 1.43 -0.70 -5.02 118.68 127.67 3c0r s LEU 50 Ca 0.41 2.62 -0.03 0.00 -1.03 0.00 0.00 54.13 56.11 3c0r s LEU 50 Cb -0.05 -4.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.02 3c0r s LEU 50 CO 0.06 -1.13 -0.05 -1.61 0.23 0.00 0.00 176.35 173.84 3c0r s GLU 51 N -2.60 3.55 0.30 1.70 2.02 -1.26 -4.75 118.70 117.66 3c0r s GLU 51 Ca 0.64 -0.55 0.05 0.00 0.02 0.00 0.00 54.97 55.13 3c0r s GLU 51 Cb -0.37 -2.84 0.75 0.00 0.10 0.00 0.00 34.13 31.77 3c0r s GLU 51 CO 0.45 0.28 1.72 -0.44 0.02 0.00 0.00 175.26 177.29 3c0r h ASP 52 N 6.57 0.52 1.06 -0.19 3.32 -1.95 -1.47 116.42 124.27 3c0r h ASP 52 Ca -0.32 0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.85 3c0r h ASP 52 Cb 1.19 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 3c0r h ASP 52 CO 0.61 0.09 -0.09 1.23 -1.72 0.00 0.00 179.24 179.36 3c0r h GLY 53 N 0.53 0.00 -0.79 2.75 0.00 -1.97 -2.69 103.07 100.90 3c0r h GLY 53 Ca 0.57 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 47.44 3c0r h GLY 53 CO -0.47 0.00 0.32 0.50 0.00 0.00 0.00 176.54 176.89 3c0r s ARG 54 N -3.63 1.45 0.55 4.80 1.81 -0.55 -4.85 118.95 118.53 3c0r s ARG 54 Ca 0.01 0.34 0.05 0.00 -1.72 0.00 0.00 55.73 54.41 3c0r s ARG 54 Cb 0.09 -1.87 0.04 0.00 -0.45 0.00 0.00 34.95 32.76 3c0r s ARG 54 CO 0.59 -1.99 0.38 0.95 -0.68 0.00 0.00 175.30 174.55 3c0r s THR 55 N -3.29 1.56 0.24 0.02 -4.23 -1.26 -2.10 115.64 106.58 3c0r s THR 55 Ca 0.63 -1.53 0.10 0.00 -1.18 0.00 0.00 61.69 59.71 3c0r s THR 55 Cb -0.14 -2.09 -0.05 0.00 1.34 0.00 0.00 72.50 71.57 3c0r s THR 55 CO 0.53 0.00 1.57 -0.07 -0.54 0.00 0.00 174.62 176.11 3c0r h LEU 56 N 0.76 0.00 -1.72 4.79 3.38 -1.28 -3.19 115.31 118.06 3c0r h LEU 56 Ca -0.37 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 3c0r h LEU 56 Cb 1.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 3c0r h LEU 56 CO 0.58 0.66 -0.18 0.77 0.09 0.00 0.00 178.44 180.36 3c0r h SER 57 N 0.00 0.00 -0.03 -0.43 4.64 -1.57 1.17 113.55 117.33 3c0r h SER 57 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3c0r h SER 57 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3c0r h SER 57 CO 0.09 0.18 0.00 0.47 -0.87 0.00 0.00 176.83 176.69 3c0r n ASP 58 N -3.88 0.29 -0.56 4.97 8.00 -1.20 -3.47 116.55 120.71 3c0r n ASP 58 Ca -0.02 -1.55 0.03 0.00 0.71 0.00 0.00 54.79 53.96 3c0r n ASP 58 Cb 0.27 -0.02 0.04 0.00 -0.02 0.00 0.00 41.12 41.39 3c0r n ASP 58 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3c0r n TYR 59 N -0.55 0.00 -4.08 1.24 4.01 0.38 -4.99 117.16 113.17 3c0r n TYR 59 Ca 0.12 -0.36 -0.32 0.00 -0.16 0.00 0.00 57.90 57.19 3c0r n TYR 59 Cb 0.10 -0.10 -0.08 0.00 -0.31 0.00 0.00 39.34 38.96 3c0r n TYR 59 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 3c0r n ASN 60 N -0.29 -0.50 -4.57 7.72 6.94 0.14 -4.84 115.26 119.88 3c0r n ASN 60 Ca 0.05 -1.08 -0.43 0.00 -0.02 0.00 0.00 54.58 53.10 3c0r n ASN 60 Cb 0.75 -1.36 -0.04 0.00 -2.36 0.00 0.00 39.78 36.76 3c0r n ASN 60 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3c0r s ILE 61 N -3.49 4.56 0.33 1.53 -1.09 -1.20 -5.00 121.20 116.85 3c0r s ILE 61 Ca 0.40 0.73 0.10 0.00 -2.23 0.00 0.00 60.65 59.64 3c0r s ILE 61 Cb -0.23 -4.37 -0.06 0.00 -1.58 0.00 0.00 42.46 36.22 3c0r s ILE 61 CO 0.87 -0.72 -0.10 -1.58 -1.23 0.00 0.00 174.94 172.18 3c0r s GLN 62 N 3.52 1.84 -0.07 2.79 2.00 -1.26 -4.85 119.66 123.62 3c0r s GLN 62 Ca 0.35 -1.87 -0.07 0.00 -2.00 0.00 0.00 55.36 51.76 3c0r s GLN 62 Cb -0.11 -1.76 -0.03 0.00 0.80 0.00 0.00 33.01 31.91 3c0r s GLN 62 CO 0.23 0.18 0.24 1.63 -0.50 0.00 0.00 175.29 177.07 3c0r n LYS 63 N -0.79 0.00 -1.91 1.67 5.02 -1.26 0.10 118.16 120.99 3c0r n LYS 63 Ca -0.05 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.12 3c0r n LYS 63 Cb 0.63 -0.23 -0.02 0.00 -0.02 0.00 0.00 35.03 35.39 3c0r n LYS 63 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3c0r n GLU 64 N 0.60 -0.95 -2.74 1.97 1.02 -1.22 -4.98 120.64 114.33 3c0r n GLU 64 Ca 0.05 0.73 -0.42 0.00 -0.02 0.00 0.00 57.16 57.49 3c0r n GLU 64 Cb -0.01 -4.86 -0.03 0.00 -0.02 0.00 0.00 31.44 26.52 3c0r n GLU 64 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3c0r s SER 65 N -2.60 7.10 -0.25 1.62 0.15 0.29 -4.89 113.70 115.12 3c0r s SER 65 Ca 0.00 1.36 -0.15 0.00 0.70 0.00 0.00 55.95 57.87 3c0r s SER 65 Cb 0.00 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 3c0r s SER 65 CO 0.00 -0.50 0.36 -0.89 1.20 0.00 0.00 173.24 173.41 3c0r s THR 66 N 2.44 5.20 0.25 6.45 2.01 -1.26 -3.17 115.64 127.55 3c0r s THR 66 Ca 0.44 0.57 0.06 0.00 0.31 0.00 0.00 61.69 63.06 3c0r s THR 66 Cb -0.17 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.62 3c0r s THR 66 CO 0.12 0.20 0.32 -0.76 -0.69 0.00 0.00 174.62 173.81 3c0r s LEU 67 N 1.80 4.14 -0.11 4.42 1.02 0.28 -4.85 118.68 125.38 3c0r s LEU 67 Ca 0.15 -0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.26 3c0r s LEU 67 Cb -0.15 -2.70 -0.02 0.00 0.02 0.00 0.00 46.19 43.34 3c0r s LEU 67 CO 0.09 -0.09 -0.12 -1.00 0.02 0.00 0.00 176.35 175.25 3c0r s HIS 68 N -2.04 2.81 -0.21 0.29 3.76 0.12 -0.34 115.29 119.67 3c0r s HIS 68 Ca 0.34 -0.49 -0.06 0.00 -0.15 0.00 0.00 55.06 54.70 3c0r s HIS 68 Cb -0.09 -1.80 -0.03 0.00 1.11 0.00 0.00 32.58 31.77 3c0r s HIS 68 CO 0.28 -0.09 0.03 -1.17 -0.85 0.00 0.00 174.74 172.94 3c0r s LEU 69 N 0.08 3.42 -0.05 0.89 2.96 -0.40 -0.03 118.68 125.55 3c0r s LEU 69 Ca -0.05 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 3c0r s LEU 69 Cb -0.14 -1.88 -0.00 0.00 0.50 0.00 0.00 46.19 44.66 3c0r s LEU 69 CO 0.04 0.05 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.26 3c0r s VAL 70 N 1.09 1.46 0.45 1.68 1.01 -0.61 -3.81 120.40 121.67 3c0r s VAL 70 Ca 0.03 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 3c0r s VAL 70 Cb -0.14 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 3c0r s VAL 70 CO 0.02 0.42 0.69 -0.76 0.00 0.00 0.00 175.10 175.48 3c0r s LEU 71 N 0.14 3.66 0.00 3.92 1.43 -1.26 -0.11 118.68 126.47 3c0r s LEU 71 Ca -0.06 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 3c0r s LEU 71 Cb -0.13 -3.33 0.00 0.00 0.03 0.00 0.00 46.19 42.76 3c0r s LEU 71 CO 0.03 -0.65 0.00 0.54 0.23 0.00 0.00 176.35 176.50 3c0r n ARG 72 N -2.11 0.00 -4.06 1.70 1.74 0.15 -4.86 116.66 109.22 3c0r n ARG 72 Ca 0.00 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 56.76 3c0r n ARG 72 Cb 0.57 -0.06 -0.00 0.00 -1.02 0.00 0.00 32.46 31.94 3c0r n ARG 72 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3c0r n LEU 73 N -0.74 -2.13 -4.75 0.55 4.77 -1.26 -4.93 117.00 108.51 3c0r n LEU 73 Ca 0.00 -0.92 -0.40 0.00 -0.03 0.00 0.00 56.01 54.66 3c0r n LEU 73 Cb 0.00 -2.29 -0.05 0.00 -2.33 0.00 0.00 43.42 38.74 3c0r n LEU 73 CO 0.00 0.38 0.54 -0.13 -1.33 0.00 0.00 177.39 176.85 3c0r s ARG 74 N -6.73 4.62 0.00 3.23 0.52 -1.26 -5.25 118.95 114.07 3c0r s ARG 74 Ca 0.59 1.24 0.00 0.00 -0.52 0.00 0.00 55.73 57.04 3c0r s ARG 74 Cb -0.31 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 31.84 3c0r s ARG 74 CO 0.88 0.39 0.00 0.41 0.02 0.00 0.00 175.30 177.00