#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3c h PRO -3 N 0.00 0.00 -0.55 1.61 0.13 -2.01 -3.17 132.00 128.02 3d3c h PRO -3 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.24 3d3c h PRO -3 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 3d3c h PRO -3 CO 0.00 0.17 0.37 -0.07 -0.23 0.00 0.00 178.00 178.25 3d3c h LEU -2 N 0.00 0.25 0.00 1.56 3.38 -1.99 -0.98 115.31 117.53 3d3c h LEU -2 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3d3c h LEU -2 Cb 1.10 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3d3c h LEU -2 CO 0.02 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.31 3d3c n GLY -1 N -1.55 -0.52 0.26 0.83 0.00 -1.20 -2.84 105.19 100.17 3d3c n GLY -1 Ca 0.09 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.05 3d3c n GLY -1 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d3c n SER 0 N -0.99 1.08 -4.16 1.61 7.64 -0.38 -5.02 113.62 113.41 3d3c n SER 0 Ca 0.12 -2.38 -0.34 0.00 1.01 0.00 0.00 58.87 57.28 3d3c n SER 0 Cb 0.06 -0.27 -0.14 0.00 -1.01 0.00 0.00 64.21 62.84 3d3c n SER 0 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3d3c s MET 1 N -1.24 2.65 0.44 1.43 1.00 -1.13 -4.97 119.30 117.49 3d3c s MET 1 Ca 0.13 -1.10 0.25 0.00 0.00 0.00 0.00 55.69 54.97 3d3c s MET 1 Cb 0.11 -2.97 0.88 0.00 0.00 0.00 0.00 34.83 32.86 3d3c s MET 1 CO 0.01 -0.46 1.81 1.96 0.00 0.00 0.00 175.02 178.34 3d3c h GLN 2 N 7.96 0.00 -4.53 2.03 4.20 -1.95 -3.37 115.11 119.45 3d3c h GLN 2 Ca -0.29 0.00 -0.71 0.00 0.06 0.00 0.00 58.65 57.71 3d3c h GLN 2 Cb 1.09 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 28.62 3d3c h GLN 2 CO 0.55 0.20 -0.48 1.21 -0.67 0.00 0.00 178.83 179.64 3d3c s ASN 3 N -6.14 5.80 -1.39 1.46 3.04 -1.26 -5.01 114.94 111.45 3d3c s ASN 3 Ca 0.01 -1.10 -0.12 0.00 0.04 0.00 0.00 52.86 51.69 3d3c s ASN 3 Cb 0.10 -2.05 0.09 0.00 -1.54 0.00 0.00 41.25 37.85 3d3c s ASN 3 CO 0.63 -0.44 2.08 0.00 -3.04 0.00 0.00 177.10 176.33 3d3c n GLN 4 N 5.02 3.17 -3.85 0.43 1.13 -1.26 -3.94 117.38 118.09 3d3c n GLN 4 Ca -0.11 -2.99 -0.12 0.00 -1.94 0.00 0.00 57.00 51.84 3d3c n GLN 4 Cb 0.45 -3.14 -0.14 0.00 0.11 0.00 0.00 30.24 27.53 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 2.03 0.04 -0.36 -1.09 3.52 -1.26 -3.79 118.95 118.03 3d3c s ARG 5 Ca 0.44 0.06 0.01 0.00 -0.13 0.00 0.00 55.73 56.11 3d3c s ARG 5 Cb 0.12 0.01 0.10 0.00 -1.56 0.00 0.00 34.95 33.62 3d3c s ARG 5 CO -0.05 -0.01 0.11 0.42 -0.81 0.00 0.00 175.30 174.95 3d3c s ILE 6 N 0.08 2.74 -0.02 4.11 1.01 -0.19 -1.11 121.20 127.81 3d3c s ILE 6 Ca -0.01 -2.16 -0.28 0.00 0.00 0.00 0.00 60.65 58.21 3d3c s ILE 6 Cb -0.01 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 3d3c s ILE 6 CO -0.00 -0.60 0.90 -0.13 0.00 0.00 0.00 174.94 175.11 3d3c s ARG 7 N 1.02 4.52 -0.11 2.79 1.81 -0.20 -0.63 118.95 128.16 3d3c s ARG 7 Ca 0.08 1.26 0.01 0.00 -1.72 0.00 0.00 55.73 55.37 3d3c s ARG 7 Cb -0.21 -3.46 0.02 0.00 -0.45 0.00 0.00 34.95 30.85 3d3c s ARG 7 CO -0.06 -0.02 -0.13 0.42 -0.68 0.00 0.00 175.30 174.83 3d3c s ILE 8 N 0.97 1.34 -0.17 1.52 1.01 0.07 -0.69 121.20 125.25 3d3c s ILE 8 Ca 0.48 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.56 3d3c s ILE 8 Cb -0.20 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 3d3c s ILE 8 CO 0.25 0.41 -0.02 -0.60 0.00 0.00 0.00 174.94 174.98 3d3c s ARG 9 N 1.19 3.69 -0.03 2.79 3.52 0.45 -1.61 118.95 128.94 3d3c s ARG 9 Ca -0.03 -0.51 0.04 0.00 -0.13 0.00 0.00 55.73 55.10 3d3c s ARG 9 Cb -0.14 -2.97 -0.03 0.00 -1.56 0.00 0.00 34.95 30.25 3d3c s ARG 9 CO -0.04 0.20 -0.13 -0.51 -0.81 0.00 0.00 175.30 174.00 3d3c s LEU 10 N 0.49 2.81 0.01 -0.88 1.43 0.13 -0.64 118.68 122.03 3d3c s LEU 10 Ca -0.02 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 3d3c s LEU 10 Cb -0.14 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.47 3d3c s LEU 10 CO 0.02 0.33 -0.13 -0.54 0.23 0.00 0.00 176.35 176.26 3d3c s LYS 11 N -0.94 0.95 -0.12 1.70 1.02 0.13 -1.80 119.74 120.68 3d3c s LYS 11 Ca 0.13 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 3d3c s LYS 11 Cb -0.11 -0.93 0.11 0.00 -0.52 0.00 0.00 37.83 36.39 3d3c s LYS 11 CO 0.02 0.24 0.93 0.00 -0.92 0.00 0.00 175.35 175.63 3d3c s ALA 12 N -0.52 -1.89 0.08 5.17 0.00 -0.89 -0.45 121.76 123.25 3d3c s ALA 12 Ca 0.03 1.48 0.12 0.00 0.00 0.00 0.00 51.96 53.59 3d3c s ALA 12 Cb -0.06 -0.46 0.11 0.00 0.00 0.00 0.00 23.12 22.70 3d3c s ALA 12 CO 0.00 -0.36 1.46 0.74 0.00 0.00 0.00 175.76 177.60 3d3c h PHE 13 N 2.57 0.00 -3.57 0.00 0.05 -1.80 0.50 116.94 114.70 3d3c h PHE 13 Ca -0.20 0.00 -0.65 0.00 3.82 0.00 0.00 57.97 60.94 3d3c h PHE 13 Cb 1.17 0.00 -0.23 0.00 2.00 0.00 0.00 35.95 38.89 3d3c h PHE 13 CO 0.30 0.70 -0.64 0.34 -0.18 0.00 0.00 178.31 178.83 3d3c s ASP 14 N -6.62 5.01 0.24 2.17 -1.08 -1.26 -4.76 116.67 110.36 3d3c s ASP 14 Ca 0.01 -0.22 0.08 0.00 -0.52 0.00 0.00 52.55 51.90 3d3c s ASP 14 Cb 0.10 -1.89 0.24 0.00 -1.46 0.00 0.00 42.92 39.91 3d3c s ASP 14 CO 0.77 -0.01 1.54 1.12 0.52 0.00 0.00 175.17 179.11 3d3c h HIS 15 N 8.06 0.11 -0.35 -5.34 2.07 -1.97 -0.86 115.15 116.87 3d3c h HIS 15 Ca -0.38 -0.05 0.00 0.00 -2.85 0.00 0.00 60.37 57.09 3d3c h HIS 15 Cb 1.17 -0.02 -0.02 0.00 2.57 0.00 0.00 27.41 31.12 3d3c h HIS 15 CO 0.65 0.73 0.23 0.00 -3.07 0.00 0.00 177.93 176.47 3d3c h ARG 16 N 0.06 0.46 -0.41 5.12 3.08 -1.98 0.65 114.38 121.35 3d3c h ARG 16 Ca -0.01 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3d3c h ARG 16 Cb 1.20 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 3d3c h ARG 16 CO 0.09 0.32 0.08 -0.07 -1.07 0.00 0.00 179.97 179.32 3d3c h LEU 17 N 0.47 0.65 -0.74 3.04 3.38 -1.93 -1.17 115.31 119.00 3d3c h LEU 17 Ca 0.13 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 3d3c h LEU 17 Cb -0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3d3c h LEU 17 CO -0.03 0.73 -0.23 -0.29 0.09 0.00 0.00 178.44 178.72 3d3c h ILE 18 N 0.53 1.27 -0.17 1.22 2.10 -1.04 -1.72 117.51 119.70 3d3c h ILE 18 Ca 0.13 -1.32 -0.14 0.00 1.08 0.00 0.00 64.86 64.61 3d3c h ILE 18 Cb 0.36 1.23 -0.01 0.00 -1.09 0.00 0.00 36.82 37.31 3d3c h ILE 18 CO 0.01 0.44 -0.47 0.44 -1.08 0.00 0.00 178.15 177.48 3d3c h ASP 19 N 0.63 0.46 -0.17 2.19 3.32 -0.80 -1.55 116.42 120.51 3d3c h ASP 19 Ca 0.09 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 3d3c h ASP 19 Cb 0.72 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.14 3d3c h ASP 19 CO 0.06 0.87 -0.08 1.56 -1.72 0.00 0.00 179.24 179.92 3d3c h GLN 20 N 0.34 0.36 -0.57 3.56 4.20 -1.00 -1.63 115.11 120.38 3d3c h GLN 20 Ca 0.02 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.58 3d3c h GLN 20 Cb 0.96 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.70 3d3c h GLN 20 CO 0.08 0.67 0.37 0.00 -0.67 0.00 0.00 178.83 179.28 3d3c h ALA 21 N 0.68 0.72 -0.38 3.87 0.00 -1.32 -1.24 119.26 121.58 3d3c h ALA 21 Ca 0.04 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.96 3d3c h ALA 21 Cb 0.56 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3d3c h ALA 21 CO 0.03 0.15 0.11 1.15 0.00 0.00 0.00 179.25 180.69 3d3c h THR 22 N 0.76 0.86 -0.83 0.00 2.02 -1.26 -0.10 112.91 114.35 3d3c h THR 22 Ca 0.21 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 3d3c h THR 22 Cb -0.08 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 3d3c h THR 22 CO -0.05 0.05 0.47 0.00 0.37 0.00 0.00 175.52 176.36 3d3c h ALA 23 N 1.26 1.26 -0.04 6.16 0.00 -0.95 -1.60 119.26 125.36 3d3c h ALA 23 Ca 0.18 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3d3c h ALA 23 Cb 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3d3c h ALA 23 CO -0.20 0.61 -0.68 0.93 0.00 0.00 0.00 179.25 179.91 3d3c h GLU 24 N 1.16 0.18 -0.48 0.00 5.08 -0.68 -0.25 114.58 119.58 3d3c h GLU 24 Ca 0.30 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 3d3c h GLU 24 Cb 0.00 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3d3c h GLU 24 CO -0.05 0.79 0.22 0.82 -1.00 0.00 0.00 179.01 179.79 3d3c h ILE 25 N 0.12 1.20 0.15 3.13 2.04 -0.73 0.10 117.51 123.52 3d3c h ILE 25 Ca -0.02 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 3d3c h ILE 25 Cb 1.22 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3d3c h ILE 25 CO 0.10 0.22 -0.07 0.58 0.00 0.00 0.00 178.15 178.98 3d3c h VAL 26 N 0.64 0.90 -0.07 1.67 2.07 -1.04 -0.42 116.25 119.99 3d3c h VAL 26 Ca 0.16 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.52 3d3c h VAL 26 Cb 0.15 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.89 3d3c h VAL 26 CO -0.02 0.05 -0.41 -0.08 0.02 0.00 0.00 177.57 177.13 3d3c h GLU 27 N -0.30 -0.50 -0.22 1.57 4.81 -1.02 -1.19 114.58 117.73 3d3c h GLU 27 Ca -0.02 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 3d3c h GLU 27 Cb 0.24 0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.67 3d3c h GLU 27 CO 0.03 -0.33 -0.22 1.15 -0.73 0.00 0.00 179.01 178.91 3d3c h THR 28 N -0.52 0.43 -0.35 0.32 2.02 -0.87 -1.07 112.91 112.87 3d3c h THR 28 Ca 0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.30 3d3c h THR 28 Cb 0.63 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.41 3d3c h THR 28 CO -0.36 0.00 0.02 0.00 0.37 0.00 0.00 175.52 175.56 3d3c h ALA 29 N 0.81 0.34 0.00 6.16 0.00 -0.83 -3.03 119.26 122.71 3d3c h ALA 29 Ca 0.13 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3d3c h ALA 29 Cb 0.44 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 3d3c h ALA 29 CO -0.36 -0.38 -0.04 0.87 0.00 0.00 0.00 179.25 179.34 3d3c h LYS 30 N 0.13 0.00 0.00 0.00 1.57 -0.82 -2.59 116.57 114.86 3d3c h LYS 30 Ca 0.17 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3d3c h LYS 30 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3d3c h LYS 30 CO -0.27 0.04 -0.16 0.00 -0.57 0.00 0.00 179.45 178.49 3d3c h ARG 31 N 0.00 0.00 -0.00 3.15 2.47 -1.08 -2.60 114.38 116.32 3d3c h ARG 31 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3d3c h ARG 31 Cb 0.96 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 3d3c h ARG 31 CO 0.00 0.16 -0.49 0.25 0.56 0.00 0.00 179.97 180.45 3d3c n THR 32 N -3.75 0.00 -0.44 2.04 -2.24 -1.05 -4.93 114.28 103.91 3d3c n THR 32 Ca -0.02 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3d3c n THR 32 Cb 0.27 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.48 0.78 3.88 3.38 0.00 -0.98 -4.81 105.19 108.92 3d3c n GLY 33 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.07 3.03 0.23 4.61 0.00 -1.00 -4.94 121.76 121.62 3d3c s ALA 34 Ca 0.00 -0.21 0.11 0.00 0.00 0.00 0.00 51.96 51.86 3d3c s ALA 34 Cb 0.00 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 3d3c s ALA 34 CO 0.00 -0.86 -0.17 -0.65 0.00 0.00 0.00 175.76 174.08 3d3c s GLN 35 N -5.24 1.76 -0.11 0.00 -0.21 0.11 -4.09 119.66 111.88 3d3c s GLN 35 Ca 0.56 -1.55 0.00 0.00 0.02 0.00 0.00 55.36 54.39 3d3c s GLN 35 Cb -0.11 -1.91 -0.02 0.00 1.00 0.00 0.00 33.01 31.97 3d3c s GLN 35 CO 0.53 0.38 -0.12 0.08 -2.12 0.00 0.00 175.29 174.03 3d3c s VAL 36 N -2.05 3.17 -0.06 1.09 1.01 -1.26 0.46 120.40 122.76 3d3c s VAL 36 Ca 0.26 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.64 3d3c s VAL 36 Cb -0.07 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 3d3c s VAL 36 CO 0.14 0.54 -0.18 -0.13 0.00 0.00 0.00 175.10 175.47 3d3c s ARG 37 N 0.02 2.61 4.20 2.72 0.52 0.10 -4.94 118.95 124.19 3d3c s ARG 37 Ca -0.04 -0.77 0.00 0.00 -0.52 0.00 0.00 55.73 54.41 3d3c s ARG 37 Cb -0.14 -2.33 0.00 0.00 0.52 0.00 0.00 34.95 33.00 3d3c s ARG 37 CO 0.04 0.50 0.00 0.41 0.02 0.00 0.00 175.30 176.27 3d3c n GLY 38 N 2.66 0.76 3.80 -3.53 0.00 -1.26 -1.44 105.19 106.19 3d3c n GLY 38 Ca -0.17 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.70 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 2.59 0.05 1.61 0.04 -1.26 -4.97 135.00 133.06 3d3c s PRO 39 Ca 0.00 0.93 0.06 0.00 0.04 0.00 0.00 61.00 62.02 3d3c s PRO 39 Cb 0.00 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 3d3c s PRO 39 CO 0.00 -1.34 -0.16 0.96 0.04 0.00 0.00 177.00 176.50 3d3c s ILE 40 N -3.04 1.25 0.18 0.56 -4.36 0.83 -4.97 121.20 111.65 3d3c s ILE 40 Ca 0.59 -1.12 -0.24 0.00 -0.26 0.00 0.00 60.65 59.63 3d3c s ILE 40 Cb -0.15 -1.13 -0.08 0.00 1.25 0.00 0.00 42.46 42.35 3d3c s ILE 40 CO 0.55 -0.00 0.76 -2.16 0.24 0.00 0.00 174.94 174.33 3d3c s PRO 41 N -1.30 4.47 0.09 0.37 0.04 -1.26 -0.91 135.00 136.50 3d3c s PRO 41 Ca 0.02 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.14 3d3c s PRO 41 Cb -0.08 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 3d3c s PRO 41 CO 0.02 0.52 0.23 -0.51 0.04 0.00 0.00 177.00 177.30 3d3c s LEU 42 N -1.40 4.35 0.11 -3.56 1.43 -0.69 -4.95 118.68 113.97 3d3c s LEU 42 Ca 0.38 0.26 -0.36 0.00 -1.03 0.00 0.00 54.13 53.38 3d3c s LEU 42 Cb -0.21 -2.96 -0.16 0.00 0.03 0.00 0.00 46.19 42.88 3d3c s LEU 42 CO 0.24 0.14 1.30 -2.65 0.23 0.00 0.00 176.35 175.61 3d3c n PRO 43 N 0.08 1.18 -1.62 1.29 -0.02 -1.26 -4.27 135.00 130.38 3d3c n PRO 43 Ca -0.05 0.42 -0.50 0.00 -2.02 0.00 0.00 63.50 61.36 3d3c n PRO 43 Cb 0.52 -2.03 -0.05 0.00 -0.02 0.00 0.00 33.50 31.91 3d3c n PRO 43 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3d3c n THR 44 N 2.28 0.16 -3.95 3.45 -1.04 -1.26 -4.80 114.28 109.13 3d3c n THR 44 Ca 0.17 -0.04 -0.35 0.00 -2.04 0.00 0.00 64.05 61.80 3d3c n THR 44 Cb 0.21 -1.06 -0.14 0.00 -1.82 0.00 0.00 70.33 67.52 3d3c n THR 44 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3d3c s ARG 45 N 0.44 3.35 4.60 -2.82 1.81 -0.92 -4.97 118.95 120.44 3d3c s ARG 45 Ca 0.81 -0.64 0.00 0.00 -1.72 0.00 0.00 55.73 54.17 3d3c s ARG 45 Cb -0.85 -2.97 0.00 0.00 -0.45 0.00 0.00 34.95 30.69 3d3c s ARG 45 CO 0.45 -0.19 0.00 0.43 -0.68 0.00 0.00 175.30 175.32 3d3c n SER 46 N 4.74 0.00 -0.96 0.23 7.64 -1.26 -0.93 113.62 123.08 3d3c n SER 46 Ca -0.18 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.79 3d3c n SER 46 Cb 0.51 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.90 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 14.00 2.33 -3.69 1.43 1.74 -1.26 -4.96 116.66 126.24 3d3c n ARG 47 Ca 0.00 -2.12 -0.36 0.00 -0.77 0.00 0.00 57.85 54.60 3d3c n ARG 47 Cb 0.00 -1.42 -0.09 0.00 -1.02 0.00 0.00 32.46 29.92 3d3c n ARG 47 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3d3c s THR 48 N -1.23 5.32 0.38 0.55 -4.23 -0.10 -4.52 115.64 111.80 3d3c s THR 48 Ca 0.33 0.16 -0.23 0.00 -1.18 0.00 0.00 61.69 60.77 3d3c s THR 48 Cb 0.19 -3.47 -0.10 0.00 1.34 0.00 0.00 72.50 70.46 3d3c s THR 48 CO 0.26 0.37 0.95 -1.00 -0.54 0.00 0.00 174.62 174.66 3d3c s HIS 49 N 0.90 3.47 -0.01 3.99 3.76 0.18 -2.17 115.29 125.41 3d3c s HIS 49 Ca 0.07 1.69 0.06 0.00 -0.15 0.00 0.00 55.06 56.72 3d3c s HIS 49 Cb -0.13 -2.89 -0.01 0.00 1.11 0.00 0.00 32.58 30.66 3d3c s HIS 49 CO 0.03 0.01 -0.18 -0.51 -0.85 0.00 0.00 174.74 173.24 3d3c s LEU 50 N -2.69 2.04 -0.02 0.89 1.43 -1.26 -2.10 118.68 116.97 3d3c s LEU 50 Ca 0.57 -0.33 0.02 0.00 -1.03 0.00 0.00 54.13 53.36 3d3c s LEU 50 Cb -0.13 -0.92 0.00 0.00 0.03 0.00 0.00 46.19 45.17 3d3c s LEU 50 CO 0.18 0.22 -0.06 -0.13 0.23 0.00 0.00 176.35 176.79 3d3c s ARG 51 N -0.45 0.63 -0.15 1.70 1.81 -0.74 -1.70 118.95 120.04 3d3c s ARG 51 Ca 0.07 -0.19 -0.01 0.00 -1.72 0.00 0.00 55.73 53.88 3d3c s ARG 51 Cb -0.07 -0.62 -0.01 0.00 -0.45 0.00 0.00 34.95 33.80 3d3c s ARG 51 CO -0.01 0.07 -0.11 -0.51 -0.68 0.00 0.00 175.30 174.06 3d3c s LEU 52 N 0.20 2.75 -0.01 2.53 1.43 -0.08 -0.70 118.68 124.80 3d3c s LEU 52 Ca -0.02 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 3d3c s LEU 52 Cb -0.07 -1.64 -0.00 0.00 0.03 0.00 0.00 46.19 44.51 3d3c s LEU 52 CO -0.00 0.12 -0.08 0.54 0.23 0.00 0.00 176.35 177.16 3d3c s VAL 53 N 0.60 0.68 -0.13 -1.59 0.11 -0.64 -0.12 120.40 119.32 3d3c s VAL 53 Ca -0.07 -0.35 -0.00 0.00 -2.93 0.00 0.00 61.98 58.63 3d3c s VAL 53 Cb -0.15 -0.59 -0.02 0.00 -1.53 0.00 0.00 36.38 34.09 3d3c s VAL 53 CO 0.03 0.20 -0.12 -1.81 -3.33 0.00 0.00 175.10 170.07 3d3c s ASP 54 N -0.04 4.07 -0.26 3.54 1.01 -0.52 -0.75 116.67 123.73 3d3c s ASP 54 Ca 0.01 -0.30 -0.06 0.00 0.71 0.00 0.00 52.55 52.91 3d3c s ASP 54 Cb -0.05 -1.59 -0.01 0.00 1.01 0.00 0.00 42.92 42.28 3d3c s ASP 54 CO -0.00 0.17 0.03 -0.63 0.21 0.00 0.00 175.17 174.96 3d3c s ILE 55 N 0.30 3.86 0.37 0.77 1.01 0.20 -0.72 121.20 126.99 3d3c s ILE 55 Ca -0.09 -0.47 0.08 0.00 0.00 0.00 0.00 60.65 60.17 3d3c s ILE 55 Cb -0.16 -2.86 -0.06 0.00 0.01 0.00 0.00 42.46 39.39 3d3c s ILE 55 CO 0.05 0.27 0.02 0.68 0.00 0.00 0.00 174.94 175.97 3d3c s VAL 56 N 1.53 2.38 -1.45 2.92 -7.23 0.17 -1.02 120.40 117.70 3d3c s VAL 56 Ca 0.05 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.23 3d3c s VAL 56 Cb -0.16 -2.84 0.01 0.00 0.56 0.00 0.00 36.38 33.95 3d3c s VAL 56 CO 0.01 -0.13 0.39 -0.62 -0.31 0.00 0.00 175.10 174.44 3d3c n GLU 57 N -0.98 -3.00 -2.45 4.82 1.02 -1.25 0.05 120.64 118.85 3d3c n GLU 57 Ca -0.04 0.36 -0.33 0.00 -0.02 0.00 0.00 57.16 57.13 3d3c n GLU 57 Cb 0.64 -4.46 -0.03 0.00 -0.02 0.00 0.00 31.44 27.57 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 -6.69 3.77 0.54 3.49 0.04 -1.26 -4.17 135.00 130.73 3d3c s PRO 58 Ca 0.06 1.24 0.07 0.00 0.04 0.00 0.00 61.00 62.42 3d3c s PRO 58 Cb -0.03 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.46 3d3c s PRO 58 CO 0.91 -0.44 0.56 0.95 0.04 0.00 0.00 177.00 179.02 3d3c s THR 59 N -2.19 1.98 0.30 1.26 -4.23 -1.26 -4.99 115.64 106.50 3d3c s THR 59 Ca 0.65 -1.27 0.03 0.00 -1.18 0.00 0.00 61.69 59.92 3d3c s THR 59 Cb -0.14 -2.25 0.09 0.00 1.34 0.00 0.00 72.50 71.54 3d3c s THR 59 CO 0.24 0.00 1.77 -0.08 -0.54 0.00 0.00 174.62 176.01 3d3c h GLU 60 N 0.55 0.50 0.00 3.99 4.57 -1.97 -2.35 114.58 119.87 3d3c h GLU 60 Ca -0.34 -0.16 -0.06 0.00 -1.18 0.00 0.00 59.36 57.61 3d3c h GLU 60 Cb 1.29 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.83 3d3c h GLU 60 CO 0.50 0.66 -0.29 1.57 -1.18 0.00 0.00 179.01 180.28 3d3c h LYS 61 N 0.46 0.00 -0.33 1.92 -0.00 -1.95 0.92 116.57 117.58 3d3c h LYS 61 Ca 0.08 0.00 0.03 0.00 -0.00 0.00 0.00 60.65 60.76 3d3c h LYS 61 Cb 0.57 0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.76 3d3c h LYS 61 CO 0.04 0.29 0.14 1.15 -0.00 0.00 0.00 179.45 181.06 3d3c h THR 62 N 0.00 0.95 -0.17 0.07 2.02 -1.76 0.77 112.91 114.79 3d3c h THR 62 Ca -0.00 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 3d3c h THR 62 Cb 0.86 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 3d3c h THR 62 CO 0.04 0.05 -0.01 0.58 0.37 0.00 0.00 175.52 176.55 3d3c h VAL 63 N 0.30 1.26 0.10 3.16 2.07 -1.13 -1.90 116.25 120.12 3d3c h VAL 63 Ca 0.14 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.80 3d3c h VAL 63 Cb 0.09 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3d3c h VAL 63 CO -0.12 0.26 -0.32 0.44 0.02 0.00 0.00 177.57 177.85 3d3c h ASP 64 N 0.03 -0.93 -0.75 0.57 3.32 -0.69 -1.79 116.42 116.18 3d3c h ASP 64 Ca 0.05 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3d3c h ASP 64 Cb 0.40 0.35 -0.03 0.00 0.22 0.00 0.00 39.33 40.27 3d3c h ASP 64 CO 0.01 -0.40 0.34 0.44 -1.72 0.00 0.00 179.24 177.90 3d3c h ASP 65 N -0.53 1.01 -0.75 6.45 3.45 -0.88 -2.34 116.42 122.82 3d3c h ASP 65 Ca 0.04 -0.15 0.03 0.00 0.43 0.00 0.00 57.03 57.37 3d3c h ASP 65 Cb 0.57 -0.26 -0.04 0.00 -0.56 0.00 0.00 39.33 39.04 3d3c h ASP 65 CO -0.20 0.88 0.50 -0.07 -1.57 0.00 0.00 179.24 178.78 3d3c h LEU 66 N 1.07 0.81 -0.25 1.55 3.38 -1.19 -1.50 115.31 119.18 3d3c h LEU 66 Ca 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3d3c h LEU 66 Cb 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3d3c h LEU 66 CO -0.03 0.57 0.00 0.23 0.09 0.00 0.00 178.44 179.30 3d3c n MET 67 N -4.44 0.18 0.00 1.13 2.81 -0.69 -2.84 117.12 113.27 3d3c n MET 67 Ca 0.09 0.27 0.11 0.00 -1.81 0.00 0.00 57.70 56.36 3d3c n MET 67 Cb 0.09 -1.76 -0.01 0.00 -0.71 0.00 0.00 33.22 30.83 3d3c n MET 67 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3d3c n ARG 68 N -2.09 0.82 -2.51 0.03 1.74 -0.62 -4.94 116.66 109.08 3d3c n ARG 68 Ca 0.04 -0.66 -0.43 0.00 -0.77 0.00 0.00 57.85 56.03 3d3c n ARG 68 Cb 0.32 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 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 -2.64 3.69 -0.10 0.55 2.96 -0.84 -5.00 118.68 117.30 3d3c s LEU 69 Ca 0.16 0.75 -0.27 0.00 -0.22 0.00 0.00 54.13 54.55 3d3c s LEU 69 Cb 0.18 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.30 3d3c s LEU 69 CO 0.66 -1.23 0.88 -1.81 -1.32 0.00 0.00 176.35 173.52 3d3c s ASP 70 N 2.82 7.12 0.03 3.68 1.01 -1.26 -5.05 116.67 125.02 3d3c s ASP 70 Ca 0.53 1.37 -0.02 0.00 0.71 0.00 0.00 52.55 55.13 3d3c s ASP 70 Cb -0.11 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 3d3c s ASP 70 CO 0.29 -0.32 0.22 -0.76 0.21 0.00 0.00 175.17 174.80 3d3c s LEU 71 N 1.58 4.36 0.44 1.23 1.43 -1.26 -5.07 118.68 121.39 3d3c s LEU 71 Ca 0.43 0.35 -0.25 0.00 -1.03 0.00 0.00 54.13 53.64 3d3c s LEU 71 Cb -0.18 -2.81 -0.09 0.00 0.03 0.00 0.00 46.19 43.14 3d3c s LEU 71 CO 0.18 0.21 1.37 0.00 0.23 0.00 0.00 176.35 178.34 3d3c n ALA 72 N 0.63 1.73 -1.65 4.21 0.00 -1.26 -4.94 120.51 119.24 3d3c n ALA 72 Ca -0.08 0.25 -0.40 0.00 0.00 0.00 0.00 53.44 53.21 3d3c n ALA 72 Cb 0.52 -2.34 0.02 0.00 0.00 0.00 0.00 19.45 17.65 3d3c n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d3c n ALA 73 N -0.25 0.67 -0.34 0.00 0.00 -1.26 -2.45 120.51 116.87 3d3c n ALA 73 Ca 0.06 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.68 3d3c n ALA 73 Cb 0.41 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 1.05 0.68 3.13 0.00 0.00 -1.26 -5.05 105.19 103.74 3d3c n GLY 74 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.63 2.18 -0.15 1.61 1.01 -1.03 -4.04 120.40 117.36 3d3c s VAL 75 Ca 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 60.91 3d3c s VAL 75 Cb 0.00 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 3d3c s VAL 75 CO 0.00 0.46 0.14 -1.81 0.00 0.00 0.00 175.10 173.89 3d3c s ASP 76 N 1.28 6.33 0.14 3.32 -0.00 0.41 -4.88 116.67 123.27 3d3c s ASP 76 Ca 0.03 0.39 0.07 0.00 -0.00 0.00 0.00 52.55 53.05 3d3c s ASP 76 Cb -0.14 -2.08 -0.04 0.00 -0.00 0.00 0.00 42.92 40.66 3d3c s ASP 76 CO -0.11 0.33 -0.04 0.68 -0.00 0.00 0.00 175.17 176.02 3d3c s VAL 77 N -0.55 3.60 -0.04 -1.27 -7.23 -1.26 -0.70 120.40 112.95 3d3c s VAL 77 Ca 0.13 -1.33 0.02 0.00 -1.81 0.00 0.00 61.98 58.99 3d3c s VAL 77 Cb -0.12 -2.75 0.01 0.00 0.56 0.00 0.00 36.38 34.08 3d3c s VAL 77 CO 0.02 -0.00 -0.10 -1.10 -0.31 0.00 0.00 175.10 173.61 3d3c s GLN 78 N -2.60 1.22 -0.10 4.82 -0.21 0.19 -4.98 119.66 118.00 3d3c s GLN 78 Ca 0.25 -0.32 0.02 0.00 0.02 0.00 0.00 55.36 55.34 3d3c s GLN 78 Cb -0.10 -1.09 0.01 0.00 1.00 0.00 0.00 33.01 32.83 3d3c s GLN 78 CO 0.17 0.06 -0.17 0.42 -2.12 0.00 0.00 175.29 173.65 3d3c s ILE 79 N 0.47 1.55 -0.08 1.08 1.01 -1.26 -0.41 121.20 123.56 3d3c s ILE 79 Ca -0.09 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 59.91 3d3c s ILE 79 Cb -0.12 -1.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.94 3d3c s ILE 79 CO 0.02 0.45 -0.21 -0.94 0.00 0.00 0.00 174.94 174.25 3d3c s SER 80 N 0.77 3.37 -0.23 3.58 1.04 0.14 -5.01 113.70 117.36 3d3c s SER 80 Ca -0.11 -0.45 -0.03 0.00 0.48 0.00 0.00 55.95 55.83 3d3c s SER 80 Cb -0.16 -1.12 -0.00 0.00 0.10 0.00 0.00 66.02 64.84 3d3c s SER 80 CO 0.02 0.22 -0.04 -0.76 0.98 0.00 0.00 173.24 173.65 3d3c s LEU 81 N -0.01 2.96 0.00 2.42 1.02 -1.26 -1.04 118.68 122.77 3d3c s LEU 81 Ca -0.07 -0.49 0.00 0.00 0.02 0.00 0.00 54.13 53.59 3d3c s LEU 81 Cb -0.15 -1.72 0.00 0.00 0.02 0.00 0.00 46.19 44.34 3d3c s LEU 81 CO 0.05 -0.05 0.00 0.61 0.02 0.00 0.00 176.35 176.98