#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3c n GLY -1 N 0.00 0.22 3.57 -3.96 0.00 -1.26 -3.79 105.19 99.97 3d3c n GLY -1 Ca 0.00 0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3d3c n GLY -1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d3c s SER 0 N -1.70 5.49 0.00 1.61 0.15 -1.26 -4.86 113.70 113.14 3d3c s SER 0 Ca 0.00 -1.33 0.03 0.00 0.70 0.00 0.00 55.95 55.35 3d3c s SER 0 Cb 0.00 -2.57 -0.01 0.00 -1.71 0.00 0.00 66.02 61.73 3d3c s SER 0 CO 0.00 -2.50 -0.10 -0.04 1.20 0.00 0.00 173.24 171.80 3d3c s MET 1 N 6.22 0.75 0.14 5.44 1.00 -1.25 -5.09 119.30 126.51 3d3c s MET 1 Ca 0.64 -0.39 -0.15 0.00 0.00 0.00 0.00 55.69 55.79 3d3c s MET 1 Cb -0.02 -0.72 0.02 0.00 0.00 0.00 0.00 34.83 34.11 3d3c s MET 1 CO 0.04 0.19 1.69 0.37 0.00 0.00 0.00 175.02 177.31 3d3c h GLN 2 N 5.74 0.69 -4.35 2.03 5.75 -1.95 -3.36 115.11 119.66 3d3c h GLN 2 Ca -0.32 -0.13 -0.73 0.00 -0.15 0.00 0.00 58.65 57.32 3d3c h GLN 2 Cb 1.18 -0.11 -0.24 0.00 1.07 0.00 0.00 27.48 29.38 3d3c h GLN 2 CO 0.49 0.64 -0.37 1.21 -2.65 0.00 0.00 178.83 178.14 3d3c s ASN 3 N -5.95 5.97 -1.00 -0.69 3.04 -1.26 -4.99 114.94 110.06 3d3c s ASN 3 Ca -0.13 -1.40 -0.11 0.00 0.04 0.00 0.00 52.86 51.26 3d3c s ASN 3 Cb 0.11 -2.12 -0.08 0.00 -1.54 0.00 0.00 41.25 37.63 3d3c s ASN 3 CO 0.77 -0.61 2.17 0.00 -3.04 0.00 0.00 177.10 176.38 3d3c n GLN 4 N 5.11 2.18 -3.95 0.43 1.13 -1.26 -3.61 117.38 117.41 3d3c n GLN 4 Ca -0.12 -1.72 -0.17 0.00 -1.94 0.00 0.00 57.00 53.05 3d3c n GLN 4 Cb 0.43 -2.67 -0.16 0.00 0.11 0.00 0.00 30.24 27.96 3d3c n GLN 4 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 3d3c s ARG 5 N 3.65 0.36 -0.29 -1.09 3.52 -1.26 -3.66 118.95 120.18 3d3c s ARG 5 Ca 0.48 0.06 -0.09 0.00 -0.13 0.00 0.00 55.73 56.04 3d3c s ARG 5 Cb 0.12 -0.53 -0.02 0.00 -1.56 0.00 0.00 34.95 32.96 3d3c s ARG 5 CO -0.00 -0.14 0.14 0.42 -0.81 0.00 0.00 175.30 174.91 3d3c s ILE 6 N 1.05 4.68 -0.21 4.11 1.01 0.12 -2.33 121.20 129.64 3d3c s ILE 6 Ca -0.09 -0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.25 3d3c s ILE 6 Cb -0.14 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 3d3c s ILE 6 CO -0.02 0.18 0.10 -0.13 0.00 0.00 0.00 174.94 175.07 3d3c s ARG 7 N 1.65 4.01 -0.05 2.79 0.52 0.12 -0.10 118.95 127.89 3d3c s ARG 7 Ca 0.06 -0.32 0.04 0.00 -0.52 0.00 0.00 55.73 54.99 3d3c s ARG 7 Cb -0.16 -3.34 0.00 0.00 0.52 0.00 0.00 34.95 31.97 3d3c s ARG 7 CO 0.07 0.19 -0.17 0.42 0.02 0.00 0.00 175.30 175.83 3d3c s ILE 8 N 0.64 1.41 -0.09 1.52 1.01 0.72 -1.10 121.20 125.31 3d3c s ILE 8 Ca 0.05 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 60.05 3d3c s ILE 8 Cb -0.13 -1.22 0.00 0.00 0.01 0.00 0.00 42.46 41.12 3d3c s ILE 8 CO 0.01 0.41 -0.20 -0.60 0.00 0.00 0.00 174.94 174.56 3d3c s ARG 9 N 0.18 2.65 -0.03 2.79 3.52 -0.33 -1.19 118.95 126.53 3d3c s ARG 9 Ca -0.07 -0.74 0.06 0.00 -0.13 0.00 0.00 55.73 54.85 3d3c s ARG 9 Cb -0.13 -2.04 -0.02 0.00 -1.56 0.00 0.00 34.95 31.20 3d3c s ARG 9 CO 0.03 0.12 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.93 3d3c s LEU 10 N 0.47 2.41 0.03 -0.88 1.43 0.44 -1.23 118.68 121.35 3d3c s LEU 10 Ca -0.17 -0.34 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 3d3c s LEU 10 Cb -0.17 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 3d3c s LEU 10 CO 0.07 0.33 -0.15 -0.54 0.23 0.00 0.00 176.35 176.28 3d3c s LYS 11 N -0.75 1.05 -0.10 1.70 1.02 0.09 -1.65 119.74 121.10 3d3c s LYS 11 Ca 0.11 -0.75 -0.30 0.00 0.02 0.00 0.00 55.97 55.05 3d3c s LYS 11 Cb -0.10 -1.07 0.12 0.00 -0.52 0.00 0.00 37.83 36.26 3d3c s LYS 11 CO 0.00 0.27 0.97 0.00 -0.92 0.00 0.00 175.35 175.67 3d3c s ALA 12 N -0.77 -1.90 -0.23 5.17 0.00 -1.03 0.32 121.76 123.32 3d3c s ALA 12 Ca 0.03 1.36 0.20 0.00 0.00 0.00 0.00 51.96 53.55 3d3c s ALA 12 Cb -0.08 -0.20 0.04 0.00 0.00 0.00 0.00 23.12 22.89 3d3c s ALA 12 CO 0.01 -0.49 1.17 0.74 0.00 0.00 0.00 175.76 177.19 3d3c h PHE 13 N 2.29 0.00 -3.53 0.00 0.05 -1.75 0.12 116.94 114.12 3d3c h PHE 13 Ca -0.19 0.00 -0.66 0.00 3.82 0.00 0.00 57.97 60.94 3d3c h PHE 13 Cb 1.19 0.00 -0.26 0.00 2.00 0.00 0.00 35.95 38.88 3d3c h PHE 13 CO 0.28 0.23 -0.67 0.34 -0.18 0.00 0.00 178.31 178.31 3d3c s ASP 14 N -5.82 4.77 0.35 2.17 -1.08 -1.26 -4.81 116.67 110.98 3d3c s ASP 14 Ca 0.01 -0.45 0.15 0.00 -0.52 0.00 0.00 52.55 51.74 3d3c s ASP 14 Cb 0.08 -1.83 0.63 0.00 -1.46 0.00 0.00 42.92 40.35 3d3c s ASP 14 CO 0.76 -0.08 1.74 1.12 0.52 0.00 0.00 175.17 179.24 3d3c h HIS 15 N 8.18 0.00 -0.52 -5.34 2.07 -1.96 -1.72 115.15 115.87 3d3c h HIS 15 Ca -0.37 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.06 3d3c h HIS 15 Cb 1.15 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.11 3d3c h HIS 15 CO 0.62 0.44 -0.04 0.00 -3.07 0.00 0.00 177.93 175.88 3d3c h ARG 16 N 0.00 0.90 -0.33 5.12 3.08 -1.99 -0.22 114.38 120.94 3d3c h ARG 16 Ca -0.00 -0.28 -0.14 0.00 0.07 0.00 0.00 59.98 59.63 3d3c h ARG 16 Cb 0.87 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 3d3c h ARG 16 CO 0.06 0.92 -0.33 -0.07 -1.07 0.00 0.00 179.97 179.48 3d3c h LEU 17 N 0.83 0.87 -0.45 3.04 3.38 -1.89 -2.64 115.31 118.44 3d3c h LEU 17 Ca 0.15 -0.47 -0.17 0.00 0.09 0.00 0.00 57.88 57.48 3d3c h LEU 17 Cb 0.54 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3d3c h LEU 17 CO 0.03 1.16 -0.62 -0.29 0.09 0.00 0.00 178.44 178.81 3d3c h ILE 18 N 0.59 1.33 -0.31 1.22 2.10 -1.18 -1.55 117.51 119.72 3d3c h ILE 18 Ca 0.05 -1.90 -0.12 0.00 1.08 0.00 0.00 64.86 63.97 3d3c h ILE 18 Cb 0.91 1.88 -0.01 0.00 -1.09 0.00 0.00 36.82 38.51 3d3c h ILE 18 CO 0.08 0.59 -0.32 0.44 -1.08 0.00 0.00 178.15 177.86 3d3c h ASP 19 N 0.40 0.68 -0.02 2.19 3.32 -1.11 -1.54 116.42 120.35 3d3c h ASP 19 Ca -0.01 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.77 3d3c h ASP 19 Cb 1.18 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 3d3c h ASP 19 CO 0.11 0.95 0.00 -0.61 -1.72 0.00 0.00 179.24 177.98 3d3c h GLN 20 N 0.56 0.04 -0.60 3.56 5.75 -1.38 -0.35 115.11 122.68 3d3c h GLN 20 Ca 0.06 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.61 3d3c h GLN 20 Cb 0.82 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 29.31 3d3c h GLN 20 CO 0.07 0.28 0.32 0.00 -2.65 0.00 0.00 178.83 176.85 3d3c h ALA 21 N 0.75 0.79 -0.23 3.38 0.00 -1.26 -0.56 119.26 122.14 3d3c h ALA 21 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3d3c h ALA 21 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3d3c h ALA 21 CO 0.00 -0.01 0.15 1.15 0.00 0.00 0.00 179.25 180.54 3d3c h THR 22 N 0.60 1.06 -0.96 0.00 2.02 -1.24 -1.52 112.91 112.87 3d3c h THR 22 Ca 0.27 -0.11 0.10 0.00 0.77 0.00 0.00 66.41 67.44 3d3c h THR 22 Cb 0.17 0.72 -0.08 0.00 -1.74 0.00 0.00 68.15 67.22 3d3c h THR 22 CO -0.18 0.06 0.59 0.00 0.37 0.00 0.00 175.52 176.36 3d3c h ALA 23 N 1.08 1.40 -0.35 6.16 0.00 -0.43 -1.25 119.26 125.87 3d3c h ALA 23 Ca 0.08 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 3d3c h ALA 23 Cb -0.04 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3d3c h ALA 23 CO -0.02 0.25 -0.43 0.93 0.00 0.00 0.00 179.25 179.98 3d3c h GLU 24 N 0.99 0.90 -0.12 0.00 5.08 -0.69 -1.14 114.58 119.59 3d3c h GLU 24 Ca 0.46 -0.50 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3d3c h GLU 24 Cb 0.38 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3d3c h GLU 24 CO -0.24 1.15 0.02 0.82 -1.00 0.00 0.00 179.01 179.77 3d3c h ILE 25 N 0.73 1.21 -0.55 3.13 2.04 -0.99 -0.77 117.51 122.31 3d3c h ILE 25 Ca 0.05 -0.65 0.07 0.00 1.00 0.00 0.00 64.86 65.33 3d3c h ILE 25 Cb 1.03 1.41 -0.06 0.00 -0.74 0.00 0.00 36.82 38.46 3d3c h ILE 25 CO 0.10 0.19 0.24 0.58 0.00 0.00 0.00 178.15 179.26 3d3c h VAL 26 N -0.02 0.87 -0.67 1.67 2.07 -1.22 -0.89 116.25 118.06 3d3c h VAL 26 Ca 0.04 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3d3c h VAL 26 Cb 0.27 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3d3c h VAL 26 CO 0.00 0.08 0.25 -0.08 0.02 0.00 0.00 177.57 177.84 3d3c h GLU 27 N 0.45 0.99 -0.53 1.57 4.81 -1.10 -1.32 114.58 119.45 3d3c h GLU 27 Ca 0.26 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 3d3c h GLU 27 Cb 0.24 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3d3c h GLU 27 CO -0.23 0.82 0.10 1.15 -0.73 0.00 0.00 179.01 180.12 3d3c h THR 28 N 0.97 1.25 0.25 0.32 2.02 -0.39 0.13 112.91 117.45 3d3c h THR 28 Ca 0.22 -0.92 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 3d3c h THR 28 Cb 0.21 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.44 3d3c h THR 28 CO -0.02 0.33 -0.12 0.00 0.37 0.00 0.00 175.52 176.09 3d3c h ALA 29 N 0.99 -0.33 -0.11 6.16 0.00 -0.91 -3.05 119.26 122.02 3d3c h ALA 29 Ca 0.16 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3d3c h ALA 29 Cb 0.38 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3d3c h ALA 29 CO 0.01 -0.68 -0.43 0.87 0.00 0.00 0.00 179.25 179.01 3d3c h LYS 30 N -0.33 0.24 -1.01 0.00 1.57 -1.07 -0.64 116.57 115.34 3d3c h LYS 30 Ca -0.03 -0.12 0.07 0.00 -1.87 0.00 0.00 60.65 58.69 3d3c h LYS 30 Cb 0.26 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.50 3d3c h LYS 30 CO 0.06 0.63 0.65 0.00 -0.57 0.00 0.00 179.45 180.22 3d3c h ARG 31 N 0.20 1.14 -0.47 3.15 3.08 -0.75 -3.28 114.38 117.46 3d3c h ARG 31 Ca 0.02 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 3d3c h ARG 31 Cb 0.85 -0.26 -0.06 0.00 0.08 0.00 0.00 29.97 30.57 3d3c h ARG 31 CO 0.07 0.76 0.08 0.25 -1.07 0.00 0.00 179.97 180.05 3d3c n THR 32 N -4.50 2.60 -0.77 2.04 -2.24 -1.04 -4.91 114.28 105.46 3d3c n THR 32 Ca 0.16 -1.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.02 3d3c n THR 32 Cb 0.19 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 3d3c n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d3c n GLY 33 N -0.42 0.60 4.03 3.38 0.00 -1.21 -4.32 105.19 107.25 3d3c n GLY 33 Ca 0.31 -0.14 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 3d3c n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3c s ALA 34 N -2.00 4.52 0.19 4.61 0.00 -0.27 -4.79 121.76 124.02 3d3c s ALA 34 Ca 0.00 -2.04 0.07 0.00 0.00 0.00 0.00 51.96 49.99 3d3c s ALA 34 Cb 0.00 -1.57 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 3d3c s ALA 34 CO 0.00 -0.92 -0.14 -0.65 0.00 0.00 0.00 175.76 174.05 3d3c s GLN 35 N -4.73 1.27 -0.05 0.00 -1.52 -0.32 -4.32 119.66 110.00 3d3c s GLN 35 Ca 0.62 -1.54 0.07 0.00 -1.95 0.00 0.00 55.36 52.56 3d3c s GLN 35 Cb -0.06 -1.04 -0.01 0.00 -0.22 0.00 0.00 33.01 31.67 3d3c s GLN 35 CO 0.39 0.17 -0.25 0.08 -0.25 0.00 0.00 175.29 175.44 3d3c s VAL 36 N -2.93 2.11 -0.08 1.09 1.01 -1.26 -0.89 120.40 119.45 3d3c s VAL 36 Ca 0.20 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3d3c s VAL 36 Cb -0.01 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3d3c s VAL 36 CO 0.06 0.57 -0.14 -0.13 0.00 0.00 0.00 175.10 175.46 3d3c s ARG 37 N -0.34 2.89 3.93 2.72 1.81 0.22 -4.92 118.95 125.26 3d3c s ARG 37 Ca 0.02 -0.70 0.00 0.00 -1.72 0.00 0.00 55.73 53.32 3d3c s ARG 37 Cb -0.12 -2.48 0.00 0.00 -0.45 0.00 0.00 34.95 31.90 3d3c s ARG 37 CO 0.02 0.43 0.00 0.41 -0.68 0.00 0.00 175.30 175.48 3d3c n GLY 38 N 2.87 0.55 3.77 -3.53 0.00 -1.26 -1.21 105.19 106.38 3d3c n GLY 38 Ca -0.18 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 3d3c n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d3c s PRO 39 N 0.00 3.16 0.03 1.61 0.04 -1.26 -4.96 135.00 133.62 3d3c s PRO 39 Ca 0.00 1.54 0.07 0.00 0.04 0.00 0.00 61.00 62.65 3d3c s PRO 39 Cb 0.00 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 3d3c s PRO 39 CO 0.00 -0.99 -0.19 0.96 0.04 0.00 0.00 177.00 176.82 3d3c s ILE 40 N -1.96 1.56 0.08 0.56 -4.36 0.09 -4.98 121.20 112.19 3d3c s ILE 40 Ca 0.71 -1.07 -0.21 0.00 -0.26 0.00 0.00 60.65 59.82 3d3c s ILE 40 Cb -0.23 -1.34 -0.07 0.00 1.25 0.00 0.00 42.46 42.07 3d3c s ILE 40 CO 0.32 0.24 0.63 -2.16 0.24 0.00 0.00 174.94 174.21 3d3c s PRO 41 N -0.97 4.31 0.28 0.37 0.04 -1.26 -1.56 135.00 136.22 3d3c s PRO 41 Ca 0.07 0.84 -0.01 0.00 0.04 0.00 0.00 61.00 61.94 3d3c s PRO 41 Cb -0.08 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 3d3c s PRO 41 CO 0.01 0.56 0.49 -0.51 0.04 0.00 0.00 177.00 177.59 3d3c s LEU 42 N -0.90 4.10 0.10 -3.56 1.43 -0.82 -5.00 118.68 114.03 3d3c s LEU 42 Ca 0.31 0.51 -0.34 0.00 -1.03 0.00 0.00 54.13 53.58 3d3c s LEU 42 Cb -0.20 -3.32 -0.14 0.00 0.03 0.00 0.00 46.19 42.56 3d3c s LEU 42 CO 0.20 -0.18 1.62 -2.65 0.23 0.00 0.00 176.35 175.58 3d3c n PRO 43 N -1.14 2.05 -1.88 1.29 -0.02 -1.26 -4.53 135.00 129.51 3d3c n PRO 43 Ca -0.04 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 3d3c n PRO 43 Cb 0.55 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.49 3d3c n PRO 43 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3d3c s THR 44 N 1.56 2.35 -0.21 3.45 2.01 -1.26 -4.85 115.64 118.69 3d3c s THR 44 Ca 0.82 0.28 -0.00 0.00 0.31 0.00 0.00 61.69 63.11 3d3c s THR 44 Cb -0.71 -3.18 0.05 0.00 0.01 0.00 0.00 72.50 68.67 3d3c s THR 44 CO 0.42 0.04 -0.04 -0.60 -0.69 0.00 0.00 174.62 173.75 3d3c s ARG 45 N -0.19 1.45 5.87 4.92 3.52 -1.15 -5.00 118.95 128.38 3d3c s ARG 45 Ca 0.63 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 55.46 3d3c s ARG 45 Cb -0.45 -2.36 0.00 0.00 -1.56 0.00 0.00 34.95 30.57 3d3c s ARG 45 CO 0.43 -0.55 0.00 0.43 -0.81 0.00 0.00 175.30 174.80 3d3c n SER 46 N 4.78 0.00 -1.16 -2.12 7.64 -1.26 -3.16 113.62 118.34 3d3c n SER 46 Ca -0.12 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.87 3d3c n SER 46 Cb 0.46 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 63.93 3d3c n SER 46 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3d3c n ARG 47 N 12.29 2.47 -3.59 1.43 1.74 -1.26 -4.95 116.66 124.79 3d3c n ARG 47 Ca 0.00 -2.28 -0.38 0.00 -0.77 0.00 0.00 57.85 54.43 3d3c n ARG 47 Cb 0.00 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 29.83 3d3c n ARG 47 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3d3c s THR 48 N -1.23 5.31 0.08 0.55 2.01 -1.19 -4.31 115.64 116.86 3d3c s THR 48 Ca 0.42 0.20 -0.18 0.00 0.31 0.00 0.00 61.69 62.44 3d3c s THR 48 Cb 0.22 -3.54 -0.07 0.00 0.01 0.00 0.00 72.50 69.13 3d3c s THR 48 CO 0.30 0.26 0.56 -1.00 -0.69 0.00 0.00 174.62 174.05 3d3c s HIS 49 N 1.62 3.77 -0.05 4.92 3.76 0.43 -2.91 115.29 126.83 3d3c s HIS 49 Ca 0.08 1.23 0.05 0.00 -0.15 0.00 0.00 55.06 56.27 3d3c s HIS 49 Cb -0.15 -2.47 -0.01 0.00 1.11 0.00 0.00 32.58 31.06 3d3c s HIS 49 CO 0.10 0.57 -0.22 -0.51 -0.85 0.00 0.00 174.74 173.82 3d3c s LEU 50 N -1.25 2.02 -0.03 0.89 1.43 -1.26 -2.47 118.68 118.01 3d3c s LEU 50 Ca 0.30 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 3d3c s LEU 50 Cb -0.19 -1.24 -0.00 0.00 0.03 0.00 0.00 46.19 44.79 3d3c s LEU 50 CO 0.19 0.21 -0.14 -0.13 0.23 0.00 0.00 176.35 176.71 3d3c s ARG 51 N -0.08 1.34 -0.13 1.70 1.81 -0.66 -1.95 118.95 120.98 3d3c s ARG 51 Ca -0.04 -0.49 0.01 0.00 -1.72 0.00 0.00 55.73 53.49 3d3c s ARG 51 Cb -0.13 -1.22 -0.01 0.00 -0.45 0.00 0.00 34.95 33.14 3d3c s ARG 51 CO 0.03 0.23 -0.17 -0.51 -0.68 0.00 0.00 175.30 174.21 3d3c s LEU 52 N -0.06 2.48 -0.01 2.53 1.43 -0.60 -0.42 118.68 124.03 3d3c s LEU 52 Ca -0.00 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 3d3c s LEU 52 Cb -0.09 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.61 3d3c s LEU 52 CO 0.01 0.15 0.01 0.54 0.23 0.00 0.00 176.35 177.28 3d3c s VAL 53 N 0.44 0.02 -0.05 -1.59 0.11 -0.33 -0.73 120.40 118.26 3d3c s VAL 53 Ca -0.12 0.09 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 3d3c s VAL 53 Cb -0.16 -0.09 -0.02 0.00 -1.53 0.00 0.00 36.38 34.58 3d3c s VAL 53 CO 0.06 0.06 -0.16 -1.81 -3.33 0.00 0.00 175.10 169.92 3d3c s ASP 54 N 0.56 3.90 -0.24 3.54 1.11 -0.35 -0.20 116.67 124.98 3d3c s ASP 54 Ca -0.05 -0.24 -0.07 0.00 0.18 0.00 0.00 52.55 52.38 3d3c s ASP 54 Cb -0.07 -0.83 -0.02 0.00 1.07 0.00 0.00 42.92 43.06 3d3c s ASP 54 CO -0.01 0.33 0.04 -0.63 1.18 0.00 0.00 175.17 176.08 3d3c s ILE 55 N -0.64 4.10 0.30 0.77 1.01 0.86 0.69 121.20 128.28 3d3c s ILE 55 Ca 0.10 -0.25 0.08 0.00 0.00 0.00 0.00 60.65 60.58 3d3c s ILE 55 Cb -0.11 -2.91 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 3d3c s ILE 55 CO 0.01 0.36 0.15 0.68 0.00 0.00 0.00 174.94 176.13 3d3c s VAL 56 N 1.58 3.49 -1.46 2.92 -7.23 -0.07 -0.70 120.40 118.94 3d3c s VAL 56 Ca 0.06 -1.63 -0.05 0.00 -1.81 0.00 0.00 61.98 58.55 3d3c s VAL 56 Cb -0.15 -3.07 0.04 0.00 0.56 0.00 0.00 36.38 33.76 3d3c s VAL 56 CO 0.02 -0.26 0.62 -0.62 -0.31 0.00 0.00 175.10 174.56 3d3c n GLU 57 N -1.14 -3.95 -2.62 4.82 1.02 -1.24 -1.17 120.64 116.36 3d3c n GLU 57 Ca -0.05 0.47 -0.34 0.00 -0.02 0.00 0.00 57.16 57.23 3d3c n GLU 57 Cb 0.60 -4.90 -0.05 0.00 -0.02 0.00 0.00 31.44 27.07 3d3c n GLU 57 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3d3c s PRO 58 N -6.51 3.99 0.55 3.49 0.04 -1.26 -4.11 135.00 131.19 3d3c s PRO 58 Ca 0.23 1.32 0.07 0.00 0.04 0.00 0.00 61.00 62.66 3d3c s PRO 58 Cb -0.12 -2.21 0.07 0.00 0.04 0.00 0.00 34.50 32.28 3d3c s PRO 58 CO 0.87 -0.26 0.76 0.95 0.04 0.00 0.00 177.00 179.36 3d3c s THR 59 N -1.97 2.44 0.23 1.26 -4.23 -1.26 -4.97 115.64 107.14 3d3c s THR 59 Ca 0.64 -0.91 -0.06 0.00 -1.18 0.00 0.00 61.69 60.18 3d3c s THR 59 Cb -0.15 -2.53 0.17 0.00 1.34 0.00 0.00 72.50 71.33 3d3c s THR 59 CO 0.19 0.00 1.81 -0.33 -0.54 0.00 0.00 174.62 175.75 3d3c h GLU 60 N 0.19 1.15 -0.84 3.99 5.08 -1.98 -2.13 114.58 120.05 3d3c h GLU 60 Ca -0.35 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 57.86 3d3c h GLU 60 Cb 1.28 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 30.29 3d3c h GLU 60 CO 0.43 0.92 0.55 -0.22 -1.00 0.00 0.00 179.01 179.69 3d3c h LYS 61 N 1.13 0.98 -0.08 2.33 1.63 -1.95 -0.29 116.57 120.32 3d3c h LYS 61 Ca 0.26 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 60.03 3d3c h LYS 61 Cb 0.18 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 3d3c h LYS 61 CO -0.03 0.65 -0.06 1.15 -3.45 0.00 0.00 179.45 177.71 3d3c h THR 62 N 1.01 0.81 -0.23 1.00 2.02 -1.61 -0.75 112.91 115.17 3d3c h THR 62 Ca 0.34 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.49 3d3c h THR 62 Cb 0.08 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3d3c h THR 62 CO -0.11 0.00 0.01 0.58 0.37 0.00 0.00 175.52 176.38 3d3c h VAL 63 N -0.08 1.25 -0.55 3.16 2.07 -1.08 -1.29 116.25 119.74 3d3c h VAL 63 Ca 0.05 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 3d3c h VAL 63 Cb 0.15 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3d3c h VAL 63 CO -0.12 0.26 0.28 0.44 0.02 0.00 0.00 177.57 178.45 3d3c h ASP 64 N 0.18 0.70 -0.52 0.57 3.32 -1.06 -2.22 116.42 117.38 3d3c h ASP 64 Ca 0.07 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 3d3c h ASP 64 Cb 0.38 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3d3c h ASP 64 CO 0.01 0.61 -0.14 0.44 -1.72 0.00 0.00 179.24 178.44 3d3c h ASP 65 N 0.74 1.03 -0.71 6.45 3.45 -1.04 -1.47 116.42 124.87 3d3c h ASP 65 Ca 0.19 -0.35 0.04 0.00 0.43 0.00 0.00 57.03 57.34 3d3c h ASP 65 Cb 0.08 -0.28 -0.05 0.00 -0.56 0.00 0.00 39.33 38.52 3d3c h ASP 65 CO -0.03 1.15 0.43 -0.07 -1.57 0.00 0.00 179.24 179.15 3d3c h LEU 66 N 0.90 0.68 -0.44 1.55 3.38 -1.17 -1.50 115.31 118.71 3d3c h LEU 66 Ca 0.13 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3d3c h LEU 66 Cb 0.71 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3d3c h LEU 66 CO 0.05 0.46 0.00 0.24 0.09 0.00 0.00 178.44 179.28 3d3c h MET 67 N 0.82 0.00 -0.00 1.13 2.86 -1.11 -2.43 114.93 116.20 3d3c h MET 67 Ca 0.30 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 3d3c h MET 67 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 3d3c h MET 67 CO -0.14 0.00 -0.64 0.54 1.06 0.00 0.00 176.91 177.73 3d3c n ARG 68 N -2.53 0.03 -2.40 1.72 1.74 -0.58 -4.92 116.66 109.74 3d3c n ARG 68 Ca 0.03 -0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.67 3d3c n ARG 68 Cb 0.37 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 3d3c n ARG 68 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3d3c s LEU 69 N -2.98 4.22 -0.41 0.55 2.96 -0.60 -5.01 118.68 117.40 3d3c s LEU 69 Ca 0.11 1.77 -0.13 0.00 -0.22 0.00 0.00 54.13 55.66 3d3c s LEU 69 Cb 0.17 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.36 3d3c s LEU 69 CO 0.75 -0.73 0.28 -1.81 -1.32 0.00 0.00 176.35 173.52 3d3c s ASP 70 N 1.95 5.91 0.60 3.68 1.01 -1.26 -5.02 116.67 123.53 3d3c s ASP 70 Ca 0.56 -1.14 -0.11 0.00 0.71 0.00 0.00 52.55 52.57 3d3c s ASP 70 Cb -0.23 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 3d3c s ASP 70 CO 0.18 -0.49 1.01 -0.76 0.21 0.00 0.00 175.17 175.31 3d3c s LEU 71 N 1.58 3.30 0.42 1.23 1.43 -1.26 -5.01 118.68 120.37 3d3c s LEU 71 Ca 0.03 1.39 -0.26 0.00 -1.03 0.00 0.00 54.13 54.27 3d3c s LEU 71 Cb -0.21 -4.43 -0.09 0.00 0.03 0.00 0.00 46.19 41.50 3d3c s LEU 71 CO 0.07 -0.82 1.36 0.00 0.23 0.00 0.00 176.35 177.18 3d3c s ALA 72 N -3.10 3.27 0.25 4.21 0.00 -1.26 -4.94 121.76 120.19 3d3c s ALA 72 Ca 0.55 1.33 -0.31 0.00 0.00 0.00 0.00 51.96 53.53 3d3c s ALA 72 Cb -0.11 -3.53 -0.13 0.00 0.00 0.00 0.00 23.12 19.35 3d3c s ALA 72 CO 0.51 -0.97 1.38 0.00 0.00 0.00 0.00 175.76 176.69 3d3c n ALA 73 N 0.04 1.02 -0.39 0.00 0.00 -1.26 -2.07 120.51 117.84 3d3c n ALA 73 Ca 0.04 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3d3c n ALA 73 Cb 0.43 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3d3c n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d3c n GLY 74 N 2.01 0.79 3.19 0.00 0.00 -1.26 -5.05 105.19 104.87 3d3c n GLY 74 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3d3c n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d3c s VAL 75 N -2.10 2.67 -0.02 1.61 1.01 -0.88 -4.17 120.40 118.52 3d3c s VAL 75 Ca 0.00 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 3d3c s VAL 75 Cb 0.00 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3d3c s VAL 75 CO 0.00 0.38 0.24 -1.81 0.00 0.00 0.00 175.10 173.91 3d3c s ASP 76 N 1.34 6.48 0.11 3.32 1.01 0.15 -4.87 116.67 124.21 3d3c s ASP 76 Ca 0.03 0.54 0.07 0.00 0.71 0.00 0.00 52.55 53.90 3d3c s ASP 76 Cb -0.15 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.66 3d3c s ASP 76 CO -0.07 0.30 -0.18 -0.69 0.21 0.00 0.00 175.17 174.73 3d3c s VAL 77 N -1.22 1.53 -0.05 -1.27 1.01 -1.26 -0.73 120.40 118.41 3d3c s VAL 77 Ca 0.24 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 60.67 3d3c s VAL 77 Cb -0.13 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.79 3d3c s VAL 77 CO 0.13 -0.19 -0.06 -1.10 0.00 0.00 0.00 175.10 173.88 3d3c s GLN 78 N -2.12 1.02 -0.08 2.72 -0.21 -0.36 -5.00 119.66 115.63 3d3c s GLN 78 Ca 0.06 -0.18 0.01 0.00 0.02 0.00 0.00 55.36 55.27 3d3c s GLN 78 Cb -0.09 -0.95 0.02 0.00 1.00 0.00 0.00 33.01 32.99 3d3c s GLN 78 CO 0.04 -0.04 -0.09 0.42 -2.12 0.00 0.00 175.29 173.50 3d3c s ILE 79 N 0.80 0.95 -0.05 1.08 1.01 -1.26 -1.19 121.20 122.54 3d3c s ILE 79 Ca -0.12 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.26 3d3c s ILE 79 Cb -0.14 -0.93 -0.00 0.00 0.01 0.00 0.00 42.46 41.39 3d3c s ILE 79 CO 0.01 0.33 -0.20 -0.94 0.00 0.00 0.00 174.94 174.14 3d3c s SER 80 N 1.13 2.56 -0.07 3.58 1.04 -0.26 -4.99 113.70 116.68 3d3c s SER 80 Ca -0.06 -0.43 0.06 0.00 0.48 0.00 0.00 55.95 55.99 3d3c s SER 80 Cb -0.14 -0.77 -0.01 0.00 0.10 0.00 0.00 66.02 65.20 3d3c s SER 80 CO -0.01 0.18 -0.25 -0.76 0.98 0.00 0.00 173.24 173.38 3d3c s LEU 81 N 0.02 2.09 0.00 2.42 1.02 -1.26 -0.70 118.68 122.27 3d3c s LEU 81 Ca -0.06 -0.52 0.00 0.00 0.02 0.00 0.00 54.13 53.58 3d3c s LEU 81 Cb -0.13 -1.38 0.00 0.00 0.02 0.00 0.00 46.19 44.69 3d3c s LEU 81 CO 0.03 0.23 0.00 0.61 0.02 0.00 0.00 176.35 177.24