#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d3b n PRO -3 N 0.00 0.27 0.00 1.61 -0.02 -1.26 -4.91 135.00 130.69 3d3b n PRO -3 Ca 0.00 0.16 0.13 0.00 -2.02 0.00 0.00 63.50 61.77 3d3b n PRO -3 Cb 0.00 -2.30 0.67 0.00 -0.02 0.00 0.00 33.50 31.85 3d3b n PRO -3 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3d3b n LEU -2 N -2.46 0.00 0.00 2.45 4.77 -1.26 -5.02 117.00 115.48 3d3b n LEU -2 Ca 0.13 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3d3b n LEU -2 Cb 0.50 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3d3b n LEU -2 CO 0.49 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3d3b n GLY -1 N 1.01 -0.16 0.09 -0.72 0.00 -1.26 -3.99 105.19 100.16 3d3b n GLY -1 Ca 0.12 -1.01 0.13 0.00 0.00 0.00 0.00 46.02 45.27 3d3b n GLY -1 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d3b n SER 0 N -0.89 0.66 -3.63 1.61 3.41 -1.26 -4.81 113.62 108.71 3d3b n SER 0 Ca 0.00 0.56 -0.27 0.00 -0.26 0.00 0.00 58.87 58.90 3d3b n SER 0 Cb 0.00 -0.74 0.02 0.00 -0.26 0.00 0.00 64.21 63.23 3d3b n SER 0 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3d3b n MET 1 N -2.12 -4.73 -1.75 4.33 2.00 -1.26 -4.87 117.12 108.73 3d3b n MET 1 Ca 0.06 0.60 -0.42 0.00 0.00 0.00 0.00 57.70 57.94 3d3b n MET 1 Cb 0.41 -5.43 -0.03 0.00 0.00 0.00 0.00 33.22 28.17 3d3b n MET 1 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 3d3b s GLN 2 N -6.32 4.13 -0.62 0.03 -0.21 -1.26 -1.82 119.66 113.59 3d3b s GLN 2 Ca 0.54 2.58 0.00 0.00 0.02 0.00 0.00 55.36 58.50 3d3b s GLN 2 Cb -0.27 -3.10 0.00 0.00 1.00 0.00 0.00 33.01 30.64 3d3b s GLN 2 CO 0.66 -0.74 0.00 0.09 -2.12 0.00 0.00 175.29 173.18 3d3b n ASN 3 N 4.04 -4.86 -4.93 5.90 3.02 -1.26 -4.98 115.26 112.19 3d3b n ASN 3 Ca 0.16 0.15 -0.29 0.00 -0.03 0.00 0.00 54.58 54.57 3d3b n ASN 3 Cb 0.36 -2.88 -0.04 0.00 -0.61 0.00 0.00 39.78 36.61 3d3b n ASN 3 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3d3b s GLN 4 N -2.11 3.48 -0.01 3.52 -0.21 -0.76 -5.01 119.66 118.56 3d3b s GLN 4 Ca 0.00 -0.43 0.02 0.00 0.02 0.00 0.00 55.36 54.97 3d3b s GLN 4 Cb 0.00 -2.94 0.00 0.00 1.00 0.00 0.00 33.01 31.07 3d3b s GLN 4 CO 0.00 0.51 -0.06 0.50 -2.12 0.00 0.00 175.29 174.12 3d3b s ARG 5 N -2.97 0.57 -0.20 2.91 3.52 0.22 -4.08 118.95 118.91 3d3b s ARG 5 Ca 0.36 -0.20 -0.24 0.00 -0.13 0.00 0.00 55.73 55.53 3d3b s ARG 5 Cb -0.12 -0.56 -0.01 0.00 -1.56 0.00 0.00 34.95 32.69 3d3b s ARG 5 CO 0.28 0.09 0.77 0.42 -0.81 0.00 0.00 175.30 176.05 3d3b s ILE 6 N 0.09 4.91 -0.16 4.11 1.01 -0.19 -2.46 121.20 128.50 3d3b s ILE 6 Ca -0.01 1.47 -0.04 0.00 0.00 0.00 0.00 60.65 62.08 3d3b s ILE 6 Cb -0.05 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.32 3d3b s ILE 6 CO -0.00 0.02 -0.03 -0.13 0.00 0.00 0.00 174.94 174.80 3d3b s ARG 7 N 2.32 3.68 -0.04 2.79 0.52 -0.25 -0.47 118.95 127.50 3d3b s ARG 7 Ca 0.34 -0.51 0.04 0.00 -0.52 0.00 0.00 55.73 55.08 3d3b s ARG 7 Cb -0.16 -2.95 -0.00 0.00 0.52 0.00 0.00 34.95 32.36 3d3b s ARG 7 CO 0.10 0.22 -0.16 0.42 0.02 0.00 0.00 175.30 175.90 3d3b s ILE 8 N 0.43 1.34 -0.11 1.52 1.01 -0.04 -1.36 121.20 123.99 3d3b s ILE 8 Ca -0.03 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 59.99 3d3b s ILE 8 Cb -0.14 -1.16 0.01 0.00 0.01 0.00 0.00 42.46 41.17 3d3b s ILE 8 CO 0.03 0.39 -0.21 -0.60 0.00 0.00 0.00 174.94 174.55 3d3b s ARG 9 N 0.11 2.77 -0.04 2.79 3.52 -0.24 -1.37 118.95 126.49 3d3b s ARG 9 Ca -0.05 -0.78 0.03 0.00 -0.13 0.00 0.00 55.73 54.81 3d3b s ARG 9 Cb -0.12 -2.18 -0.03 0.00 -1.56 0.00 0.00 34.95 31.07 3d3b s ARG 9 CO 0.02 0.07 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.96 3d3b s LEU 10 N 0.60 2.92 0.04 -0.88 1.02 0.10 -0.89 118.68 121.60 3d3b s LEU 10 Ca -0.13 -0.15 0.04 0.00 0.02 0.00 0.00 54.13 53.90 3d3b s LEU 10 Cb -0.17 -1.63 -0.02 0.00 0.02 0.00 0.00 46.19 44.39 3d3b s LEU 10 CO 0.04 0.33 -0.11 -0.54 0.02 0.00 0.00 176.35 176.09 3d3b s LYS 11 N -0.91 0.71 -0.05 1.70 1.02 -0.29 -1.12 119.74 120.79 3d3b s LYS 11 Ca 0.13 -0.73 -0.30 0.00 0.02 0.00 0.00 55.97 55.09 3d3b s LYS 11 Cb -0.11 -0.64 0.09 0.00 -0.52 0.00 0.00 37.83 36.65 3d3b s LYS 11 CO 0.02 0.15 0.77 0.00 -0.92 0.00 0.00 175.35 175.37 3d3b s ALA 12 N -1.04 -1.80 -0.25 5.17 0.00 -0.72 -0.67 121.76 122.45 3d3b s ALA 12 Ca -0.03 1.28 0.21 0.00 0.00 0.00 0.00 51.96 53.42 3d3b s ALA 12 Cb -0.08 -0.07 0.36 0.00 0.00 0.00 0.00 23.12 23.32 3d3b s ALA 12 CO 0.01 -0.42 1.59 0.74 0.00 0.00 0.00 175.76 177.68 3d3b h PHE 13 N 2.70 0.00 -3.62 0.00 0.05 -1.82 0.82 116.94 115.08 3d3b h PHE 13 Ca -0.25 0.00 -0.69 0.00 3.82 0.00 0.00 57.97 60.85 3d3b h PHE 13 Cb 1.17 0.00 -0.25 0.00 2.00 0.00 0.00 35.95 38.87 3d3b h PHE 13 CO 0.33 0.21 -0.55 0.34 -0.18 0.00 0.00 178.31 178.46 3d3b s ASP 14 N -6.27 5.55 0.45 2.17 -1.08 -1.26 -4.77 116.67 111.47 3d3b s ASP 14 Ca 0.05 -0.85 0.16 0.00 -0.52 0.00 0.00 52.55 51.38 3d3b s ASP 14 Cb 0.07 -1.98 1.05 0.00 -1.46 0.00 0.00 42.92 40.59 3d3b s ASP 14 CO 0.69 -0.30 2.00 1.12 0.52 0.00 0.00 175.17 179.19 3d3b h HIS 15 N 8.36 0.00 -0.62 -5.34 2.07 -1.97 -1.95 115.15 115.70 3d3b h HIS 15 Ca -0.28 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.18 3d3b h HIS 15 Cb 1.11 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.07 3d3b h HIS 15 CO 0.60 0.18 0.14 0.00 -3.07 0.00 0.00 177.93 175.78 3d3b h ARG 16 N 0.00 1.00 -0.52 5.12 3.08 -1.99 -1.60 114.38 119.47 3d3b h ARG 16 Ca -0.00 -0.25 -0.12 0.00 0.07 0.00 0.00 59.98 59.68 3d3b h ARG 16 Cb 0.33 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 3d3b h ARG 16 CO 0.02 0.91 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.61 3d3b h LEU 17 N 0.91 1.03 -0.56 3.04 3.38 -1.78 -2.07 115.31 119.26 3d3b h LEU 17 Ca 0.19 -0.36 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 3d3b h LEU 17 Cb 0.37 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3d3b h LEU 17 CO 0.00 1.16 -0.31 -0.29 0.09 0.00 0.00 178.44 179.09 3d3b h ILE 18 N 0.89 1.28 -0.06 1.22 2.10 -1.15 -1.00 117.51 120.79 3d3b h ILE 18 Ca 0.13 -1.47 -0.17 0.00 1.08 0.00 0.00 64.86 64.43 3d3b h ILE 18 Cb 0.73 1.32 -0.01 0.00 -1.09 0.00 0.00 36.82 37.77 3d3b h ILE 18 CO 0.06 0.49 -0.69 0.44 -1.08 0.00 0.00 178.15 177.36 3d3b h ASP 19 N 0.69 0.36 -0.42 2.19 3.32 -1.24 -1.01 116.42 120.30 3d3b h ASP 19 Ca 0.07 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 56.84 3d3b h ASP 19 Cb 0.86 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 3d3b h ASP 19 CO 0.08 0.94 0.04 -0.61 -1.72 0.00 0.00 179.24 177.97 3d3b h GLN 20 N 0.21 0.71 -0.55 3.56 5.75 -1.17 -1.40 115.11 122.23 3d3b h GLN 20 Ca -0.02 -0.21 -0.07 0.00 -0.15 0.00 0.00 58.65 58.20 3d3b h GLN 20 Cb 1.25 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 29.70 3d3b h GLN 20 CO 0.11 0.77 0.06 0.00 -2.65 0.00 0.00 178.83 177.12 3d3b h ALA 21 N 0.92 0.73 -0.34 3.38 0.00 -1.05 -1.01 119.26 121.89 3d3b h ALA 21 Ca 0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3d3b h ALA 21 Cb 0.42 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3d3b h ALA 21 CO 0.01 0.50 0.22 1.15 0.00 0.00 0.00 179.25 181.13 3d3b h THR 22 N 0.81 1.09 -0.90 0.00 2.02 -1.10 -1.18 112.91 113.65 3d3b h THR 22 Ca 0.16 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.19 3d3b h THR 22 Cb 0.45 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 3d3b h THR 22 CO 0.02 0.08 0.58 0.00 0.37 0.00 0.00 175.52 176.57 3d3b h ALA 23 N 1.12 1.14 -0.65 6.16 0.00 -0.96 -1.03 119.26 125.04 3d3b h ALA 23 Ca 0.12 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3d3b h ALA 23 Cb -0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 3d3b h ALA 23 CO -0.03 0.56 0.19 0.93 0.00 0.00 0.00 179.25 180.90 3d3b h GLU 24 N 1.22 1.02 -0.26 0.00 5.08 -0.74 -0.88 114.58 120.03 3d3b h GLU 24 Ca 0.33 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3d3b h GLU 24 Cb -0.12 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 3d3b h GLU 24 CO -0.07 0.90 0.05 0.82 -1.00 0.00 0.00 179.01 179.72 3d3b h ILE 25 N 0.95 1.22 -0.26 3.13 2.04 -0.87 -0.98 117.51 122.73 3d3b h ILE 25 Ca 0.21 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.36 3d3b h ILE 25 Cb 0.32 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 3d3b h ILE 25 CO -0.00 0.24 0.06 0.58 0.00 0.00 0.00 178.15 179.02 3d3b h VAL 26 N 0.25 0.88 -0.53 1.67 2.07 -1.03 -1.14 116.25 118.42 3d3b h VAL 26 Ca 0.08 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 3d3b h VAL 26 Cb 0.31 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3d3b h VAL 26 CO 0.00 0.03 0.21 -0.33 0.02 0.00 0.00 177.57 177.50 3d3b h GLU 27 N 0.16 0.80 -0.61 1.57 4.39 -1.04 -0.79 114.58 119.06 3d3b h GLU 27 Ca 0.12 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3d3b h GLU 27 Cb 0.12 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3d3b h GLU 27 CO -0.16 0.70 0.36 1.15 -1.16 0.00 0.00 179.01 179.90 3d3b h THR 28 N 0.73 1.19 0.00 1.13 2.02 -0.91 -1.39 112.91 115.68 3d3b h THR 28 Ca 0.18 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 3d3b h THR 28 Cb 0.20 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 3d3b h THR 28 CO -0.01 0.19 -0.00 0.00 0.37 0.00 0.00 175.52 176.07 3d3b h ALA 29 N 1.18 -0.01 -0.34 6.16 0.00 -0.82 -3.10 119.26 122.32 3d3b h ALA 29 Ca 0.22 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 3d3b h ALA 29 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3d3b h ALA 29 CO -0.04 -0.40 -0.09 0.87 0.00 0.00 0.00 179.25 179.59 3d3b h LYS 30 N -0.20 0.57 0.00 0.00 1.57 -1.00 -2.40 116.57 115.11 3d3b h LYS 30 Ca -0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3d3b h LYS 30 Cb 0.20 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3d3b h LYS 30 CO 0.00 0.66 0.00 0.54 -0.57 0.00 0.00 179.45 180.08 3d3b n ARG 31 N -4.21 0.30 -0.07 3.15 1.74 -0.54 -1.38 116.66 115.66 3d3b n ARG 31 Ca 0.01 0.08 0.08 0.00 -0.77 0.00 0.00 57.85 57.26 3d3b n ARG 31 Cb 0.31 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.37 3d3b n ARG 31 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3d3b n THR 32 N -1.29 0.28 -0.46 0.55 -2.24 -0.94 -4.97 114.28 105.21 3d3b n THR 32 Ca 0.10 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3d3b n THR 32 Cb 0.17 1.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3d3b n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d3b n GLY 33 N 0.96 0.86 3.73 3.38 0.00 -0.48 -4.74 105.19 108.91 3d3b n GLY 33 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 3d3b n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d3b s ALA 34 N -2.99 1.52 0.15 4.61 0.00 -0.96 -4.99 121.76 119.10 3d3b s ALA 34 Ca 0.00 -0.26 0.08 0.00 0.00 0.00 0.00 51.96 51.78 3d3b s ALA 34 Cb 0.00 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 3d3b s ALA 34 CO 0.00 -2.39 -0.08 -0.65 0.00 0.00 0.00 175.76 172.64 3d3b s GLN 35 N -5.04 2.14 -0.08 0.00 -0.21 -0.37 -4.17 119.66 111.94 3d3b s GLN 35 Ca 0.64 -1.14 0.01 0.00 0.02 0.00 0.00 55.36 54.88 3d3b s GLN 35 Cb -0.17 -2.25 -0.03 0.00 1.00 0.00 0.00 33.01 31.56 3d3b s GLN 35 CO 0.56 0.47 -0.08 0.08 -2.12 0.00 0.00 175.29 174.20 3d3b s VAL 36 N -1.50 3.63 -0.07 1.09 1.01 -1.26 -0.43 120.40 122.87 3d3b s VAL 36 Ca 0.24 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3d3b s VAL 36 Cb -0.10 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 3d3b s VAL 36 CO 0.15 0.59 -0.18 -0.13 0.00 0.00 0.00 175.10 175.53 3d3b s ARG 37 N -0.66 2.68 3.45 2.72 1.81 -0.07 -4.94 118.95 123.95 3d3b s ARG 37 Ca 0.10 -0.77 0.00 0.00 -1.72 0.00 0.00 55.73 53.34 3d3b s ARG 37 Cb -0.11 -2.35 0.00 0.00 -0.45 0.00 0.00 34.95 32.03 3d3b s ARG 37 CO 0.02 0.47 0.00 0.41 -0.68 0.00 0.00 175.30 175.51 3d3b n GLY 38 N 2.75 0.09 3.80 -3.53 0.00 -1.26 -1.34 105.19 105.70 3d3b n GLY 38 Ca -0.17 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 3d3b n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3d3b s PRO 39 N 0.00 3.40 0.08 1.61 0.04 -1.26 -4.97 135.00 133.90 3d3b s PRO 39 Ca 0.00 1.31 0.08 0.00 0.04 0.00 0.00 61.00 62.43 3d3b s PRO 39 Cb 0.00 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 3d3b s PRO 39 CO 0.00 -0.76 -0.22 0.96 0.04 0.00 0.00 177.00 177.02 3d3b s ILE 40 N -2.25 1.83 0.18 0.56 -4.36 0.29 -4.96 121.20 112.50 3d3b s ILE 40 Ca 0.66 -1.43 -0.18 0.00 -0.26 0.00 0.00 60.65 59.44 3d3b s ILE 40 Cb -0.17 -1.62 -0.08 0.00 1.25 0.00 0.00 42.46 41.84 3d3b s ILE 40 CO 0.32 0.11 0.65 -2.16 0.24 0.00 0.00 174.94 174.09 3d3b s PRO 41 N -1.59 4.14 0.29 0.37 0.04 -1.26 -0.96 135.00 136.03 3d3b s PRO 41 Ca 0.09 0.72 0.07 0.00 0.04 0.00 0.00 61.00 61.91 3d3b s PRO 41 Cb -0.10 -2.92 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 3d3b s PRO 41 CO 0.03 0.44 0.30 -0.51 0.04 0.00 0.00 177.00 177.31 3d3b s LEU 42 N -1.91 3.85 0.31 -3.56 1.43 -0.73 -4.96 118.68 113.11 3d3b s LEU 42 Ca 0.40 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 3d3b s LEU 42 Cb -0.16 -2.45 -0.12 0.00 0.03 0.00 0.00 46.19 43.48 3d3b s LEU 42 CO 0.20 -0.21 1.44 -2.65 0.23 0.00 0.00 176.35 175.36 3d3b n PRO 43 N -1.35 2.36 -1.60 1.29 -0.02 -1.26 -4.48 135.00 129.95 3d3b n PRO 43 Ca -0.05 0.83 -0.37 0.00 -2.02 0.00 0.00 63.50 61.89 3d3b n PRO 43 Cb 0.58 -2.52 0.06 0.00 -0.02 0.00 0.00 33.50 31.61 3d3b n PRO 43 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3d3b n THR 44 N 1.19 3.74 -3.72 3.45 -2.24 -1.26 -4.77 114.28 110.66 3d3b n THR 44 Ca 0.07 -0.49 -0.15 0.00 -2.27 0.00 0.00 64.05 61.20 3d3b n THR 44 Cb 0.36 -1.14 -0.15 0.00 -2.10 0.00 0.00 70.33 67.29 3d3b n THR 44 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3d3b s ARG 45 N -2.87 0.03 -1.45 -0.78 3.52 -0.69 -4.88 118.95 111.83 3d3b s ARG 45 Ca 0.77 0.38 -0.04 0.00 -0.13 0.00 0.00 55.73 56.71 3d3b s ARG 45 Cb -0.40 -0.25 0.03 0.00 -1.56 0.00 0.00 34.95 32.77 3d3b s ARG 45 CO 0.46 -0.22 0.54 0.43 -0.81 0.00 0.00 175.30 175.70 3d3b n SER 46 N 4.59 -1.14 -1.21 -2.12 7.64 -1.26 -1.01 113.62 119.11 3d3b n SER 46 Ca -0.19 -0.98 -0.16 0.00 1.01 0.00 0.00 58.87 58.55 3d3b n SER 46 Cb 0.51 -3.15 -0.07 0.00 -1.01 0.00 0.00 64.21 60.49 3d3b n SER 46 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3d3b n ARG 47 N -4.41 -1.44 -4.11 1.43 1.74 -1.26 -4.96 116.66 103.65 3d3b n ARG 47 Ca -0.23 1.05 -0.35 0.00 -0.77 0.00 0.00 57.85 57.55 3d3b n ARG 47 Cb 0.65 -5.38 -0.13 0.00 -1.02 0.00 0.00 32.46 26.58 3d3b n ARG 47 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3d3b s THR 48 N -2.41 3.87 0.33 0.55 2.01 -0.18 -4.61 115.64 115.20 3d3b s THR 48 Ca 0.00 -0.34 -0.23 0.00 0.31 0.00 0.00 61.69 61.42 3d3b s THR 48 Cb 0.00 -2.74 -0.10 0.00 0.01 0.00 0.00 72.50 69.67 3d3b s THR 48 CO 0.00 0.44 0.90 -1.00 -0.69 0.00 0.00 174.62 174.26 3d3b s HIS 49 N 0.97 3.58 -0.01 4.92 3.76 0.28 -1.71 115.29 127.07 3d3b s HIS 49 Ca 0.01 1.65 0.01 0.00 -0.15 0.00 0.00 55.06 56.58 3d3b s HIS 49 Cb -0.14 -2.83 0.01 0.00 1.11 0.00 0.00 32.58 30.72 3d3b s HIS 49 CO 0.02 0.15 -0.03 -0.51 -0.85 0.00 0.00 174.74 173.52 3d3b s LEU 50 N -2.37 1.71 0.03 0.89 1.43 -1.26 -1.76 118.68 117.36 3d3b s LEU 50 Ca 0.52 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 3d3b s LEU 50 Cb -0.15 -0.22 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 3d3b s LEU 50 CO 0.20 -0.00 -0.07 -0.13 0.23 0.00 0.00 176.35 176.57 3d3b s ARG 51 N 0.31 0.51 -0.03 1.70 1.81 -0.28 -1.78 118.95 121.20 3d3b s ARG 51 Ca -0.03 -0.66 0.07 0.00 -1.72 0.00 0.00 55.73 53.39 3d3b s ARG 51 Cb -0.06 -0.32 -0.01 0.00 -0.45 0.00 0.00 34.95 34.11 3d3b s ARG 51 CO -0.01 0.06 -0.23 -0.51 -0.68 0.00 0.00 175.30 173.94 3d3b s LEU 52 N -1.32 2.03 -0.07 2.53 1.43 -0.13 -0.72 118.68 122.43 3d3b s LEU 52 Ca -0.08 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.47 3d3b s LEU 52 Cb -0.09 -1.19 0.03 0.00 0.03 0.00 0.00 46.19 44.97 3d3b s LEU 52 CO 0.00 0.26 0.31 0.54 0.23 0.00 0.00 176.35 177.69 3d3b s VAL 53 N -0.39 0.03 0.15 -1.59 0.11 -0.47 -0.54 120.40 117.70 3d3b s VAL 53 Ca 0.05 -0.25 0.08 0.00 -2.93 0.00 0.00 61.98 58.93 3d3b s VAL 53 Cb -0.10 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 3d3b s VAL 53 CO 0.00 -0.14 -0.19 -1.81 -3.33 0.00 0.00 175.10 169.64 3d3b s ASP 54 N -0.59 2.64 -0.17 3.54 1.01 -0.45 -0.86 116.67 121.80 3d3b s ASP 54 Ca -0.07 -0.82 0.01 0.00 0.71 0.00 0.00 52.55 52.39 3d3b s ASP 54 Cb -0.04 -0.15 0.02 0.00 1.01 0.00 0.00 42.92 43.75 3d3b s ASP 54 CO 0.02 -0.01 -0.20 -0.63 0.21 0.00 0.00 175.17 174.56 3d3b s ILE 55 N -1.82 2.10 -0.01 0.77 1.01 0.38 -0.89 121.20 122.74 3d3b s ILE 55 Ca 0.13 -0.94 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 3d3b s ILE 55 Cb -0.07 -1.87 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 3d3b s ILE 55 CO 0.06 0.54 0.07 -0.69 0.00 0.00 0.00 174.94 174.92 3d3b s VAL 56 N 1.13 4.66 -1.32 2.92 1.01 0.43 -1.03 120.40 128.21 3d3b s VAL 56 Ca 0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.57 3d3b s VAL 56 Cb -0.14 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3d3b s VAL 56 CO -0.09 0.36 0.67 -0.62 0.00 0.00 0.00 175.10 175.43 3d3b n GLU 57 N 1.25 -4.75 -2.11 2.72 1.02 -1.26 -1.24 120.64 116.27 3d3b n GLU 57 Ca -0.13 0.60 -0.37 0.00 -0.02 0.00 0.00 57.16 57.23 3d3b n GLU 57 Cb 0.53 -5.11 0.01 0.00 -0.02 0.00 0.00 31.44 26.84 3d3b n GLU 57 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3d3b s PRO 58 N -6.03 3.48 0.44 3.49 0.04 -1.26 -4.47 135.00 130.69 3d3b s PRO 58 Ca 0.00 1.88 0.07 0.00 0.04 0.00 0.00 61.00 62.99 3d3b s PRO 58 Cb -0.00 -2.28 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 3d3b s PRO 58 CO 0.82 -0.81 0.30 0.95 0.04 0.00 0.00 177.00 178.30 3d3b s THR 59 N -1.51 2.28 0.23 1.26 -4.23 -1.26 -4.83 115.64 107.58 3d3b s THR 59 Ca 0.68 -1.52 -0.07 0.00 -1.18 0.00 0.00 61.69 59.60 3d3b s THR 59 Cb -0.31 -2.80 0.19 0.00 1.34 0.00 0.00 72.50 70.92 3d3b s THR 59 CO 0.37 0.00 1.84 -0.08 -0.54 0.00 0.00 174.62 176.21 3d3b h GLU 60 N 1.12 0.86 -0.80 3.99 4.57 -1.95 -1.97 114.58 120.40 3d3b h GLU 60 Ca -0.41 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 57.75 3d3b h GLU 60 Cb 1.27 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 29.62 3d3b h GLU 60 CO 0.62 0.57 0.53 0.87 -1.18 0.00 0.00 179.01 180.42 3d3b h LYS 61 N 0.88 0.99 0.01 1.92 1.57 -1.96 -0.83 116.57 119.16 3d3b h LYS 61 Ca 0.35 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 59.08 3d3b h LYS 61 Cb 0.17 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3d3b h LYS 61 CO -0.17 0.66 -0.06 1.15 -0.57 0.00 0.00 179.45 180.46 3d3b h THR 62 N 1.02 0.85 -0.36 -0.16 2.02 -1.67 -0.10 112.91 114.52 3d3b h THR 62 Ca 0.31 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.48 3d3b h THR 62 Cb -0.01 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3d3b h THR 62 CO -0.09 0.00 0.17 0.58 0.37 0.00 0.00 175.52 176.55 3d3b h VAL 63 N -0.11 1.17 -0.39 3.16 2.07 -1.03 -0.47 116.25 120.65 3d3b h VAL 63 Ca 0.02 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.07 3d3b h VAL 63 Cb 0.13 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3d3b h VAL 63 CO -0.05 0.18 0.23 0.44 0.02 0.00 0.00 177.57 178.39 3d3b h ASP 64 N 0.44 0.37 -0.62 0.57 3.32 -1.09 -0.93 116.42 118.49 3d3b h ASP 64 Ca 0.12 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 3d3b h ASP 64 Cb 0.13 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3d3b h ASP 64 CO -0.01 0.27 0.23 0.00 -1.72 0.00 0.00 179.24 178.01 3d3b h ALA 65 N 1.17 1.19 -0.50 3.45 0.00 -0.65 -0.92 119.26 123.00 3d3b h ALA 65 Ca 0.15 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3d3b h ALA 65 Cb 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3d3b h ALA 65 CO -0.07 0.58 -0.07 -0.07 0.00 0.00 0.00 179.25 179.62 3d3b h LEU 66 N 0.94 0.87 -0.50 0.00 3.38 -0.72 -1.64 115.31 117.64 3d3b h LEU 66 Ca 0.22 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3d3b h LEU 66 Cb 0.22 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3d3b h LEU 66 CO -0.01 0.97 0.32 -0.03 0.09 0.00 0.00 178.44 179.77 3d3b h MET 67 N 0.80 0.66 -0.04 1.13 4.05 -0.51 -2.95 114.93 118.07 3d3b h MET 67 Ca 0.14 -0.05 -0.14 0.00 -0.28 0.00 0.00 59.70 59.37 3d3b h MET 67 Cb 0.58 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.22 3d3b h MET 67 CO 0.04 0.46 -0.60 0.00 0.23 0.00 0.00 176.91 177.03 3d3b h ARG 68 N 0.67 0.13 -6.56 0.39 3.08 -0.95 -3.44 114.38 107.69 3d3b h ARG 68 Ca 0.18 -0.09 -0.54 0.00 0.07 0.00 0.00 59.98 59.60 3d3b h ARG 68 Cb -0.05 0.01 0.05 0.00 0.08 0.00 0.00 29.97 30.07 3d3b h ARG 68 CO -0.04 0.69 0.99 -0.11 -1.07 0.00 0.00 179.97 180.43 3d3b n LEU 69 N -3.85 3.75 -4.49 3.04 7.94 -0.64 -4.95 117.00 117.81 3d3b n LEU 69 Ca -0.02 1.04 -0.43 0.00 -1.11 0.00 0.00 56.01 55.49 3d3b n LEU 69 Cb 0.61 -1.52 -0.07 0.00 0.53 0.00 0.00 43.42 42.97 3d3b n LEU 69 CO 0.43 0.05 0.29 -1.81 -1.11 0.00 0.00 177.39 175.24 3d3b s ASP 70 N 1.68 6.26 0.20 1.96 1.01 -1.26 -5.00 116.67 121.51 3d3b s ASP 70 Ca 0.79 -0.61 -0.30 0.00 0.71 0.00 0.00 52.55 53.14 3d3b s ASP 70 Cb -0.55 -2.28 -0.08 0.00 1.01 0.00 0.00 42.92 41.01 3d3b s ASP 70 CO 0.36 -0.76 0.97 -0.76 0.21 0.00 0.00 175.17 175.19 3d3b s LEU 71 N 2.57 4.59 0.57 1.23 2.01 -1.26 -5.01 118.68 123.39 3d3b s LEU 71 Ca 0.17 1.94 -0.21 0.00 0.01 0.00 0.00 54.13 56.05 3d3b s LEU 71 Cb -0.16 -3.60 -0.04 0.00 0.01 0.00 0.00 46.19 42.39 3d3b s LEU 71 CO 0.15 0.04 1.34 0.00 1.01 0.00 0.00 176.35 178.90 3d3b n ALA 72 N 1.90 1.48 -1.71 4.21 0.00 -1.26 -4.95 120.51 120.18 3d3b n ALA 72 Ca -0.00 0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.11 3d3b n ALA 72 Cb 0.47 -2.35 -0.00 0.00 0.00 0.00 0.00 19.45 17.57 3d3b n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3d3b n ALA 73 N -1.27 1.44 -0.12 0.00 0.00 -1.26 -3.04 120.51 116.27 3d3b n ALA 73 Ca 0.12 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.89 3d3b n ALA 73 Cb 0.45 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.63 3d3b n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d3b n GLY 74 N 0.74 0.69 3.19 0.00 0.00 -1.26 -5.06 105.19 103.48 3d3b n GLY 74 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3d3b n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d3b s VAL 75 N -2.15 1.88 -0.18 1.61 1.01 -1.17 -4.35 120.40 117.05 3d3b s VAL 75 Ca 0.00 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 3d3b s VAL 75 Cb 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 3d3b s VAL 75 CO 0.00 0.52 0.21 -0.62 0.00 0.00 0.00 175.10 175.21 3d3b s ASP 76 N 0.32 6.31 -0.16 3.32 2.15 0.15 -4.92 116.67 123.83 3d3b s ASP 76 Ca -0.16 0.36 0.01 0.00 0.43 0.00 0.00 52.55 53.19 3d3b s ASP 76 Cb -0.17 -2.14 0.02 0.00 -0.30 0.00 0.00 42.92 40.34 3d3b s ASP 76 CO 0.07 0.13 -0.15 -0.69 -0.17 0.00 0.00 175.17 174.36 3d3b s VAL 77 N 0.46 1.72 -0.20 1.11 1.01 -1.26 -1.14 120.40 122.10 3d3b s VAL 77 Ca 0.12 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 3d3b s VAL 77 Cb -0.12 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 3d3b s VAL 77 CO 0.01 0.44 0.12 -1.10 0.00 0.00 0.00 175.10 174.57 3d3b s GLN 78 N 1.42 4.13 -0.01 2.72 -0.21 -0.06 -4.98 119.66 122.67 3d3b s GLN 78 Ca 0.04 -0.25 0.01 0.00 0.02 0.00 0.00 55.36 55.18 3d3b s GLN 78 Cb -0.13 -3.39 0.00 0.00 1.00 0.00 0.00 33.01 30.49 3d3b s GLN 78 CO -0.11 0.27 -0.02 -1.50 -2.12 0.00 0.00 175.29 171.81 3d3b s ILE 79 N 0.43 0.22 0.05 1.08 2.07 -1.26 -1.08 121.20 122.70 3d3b s ILE 79 Ca 0.07 -0.09 -0.03 0.00 -1.41 0.00 0.00 60.65 59.20 3d3b s ILE 79 Cb -0.12 -0.21 -0.03 0.00 0.13 0.00 0.00 42.46 42.24 3d3b s ILE 79 CO -0.01 0.08 0.02 -0.94 -1.91 0.00 0.00 174.94 172.18 3d3b s SER 80 N 0.12 0.34 -0.08 4.50 1.04 -0.46 -4.99 113.70 114.17 3d3b s SER 80 Ca -0.01 -0.78 0.01 0.00 0.48 0.00 0.00 55.95 55.65 3d3b s SER 80 Cb -0.03 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.31 3d3b s SER 80 CO -0.00 -0.54 -0.10 -0.22 0.98 0.00 0.00 173.24 173.35 3d3b s LEU 81 N -2.50 1.49 0.00 2.42 2.96 -1.26 -1.09 118.68 120.70 3d3b s LEU 81 Ca 0.00 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 3d3b s LEU 81 Cb 0.03 -0.79 0.00 0.00 0.50 0.00 0.00 46.19 45.92 3d3b s LEU 81 CO -0.07 -0.02 0.00 0.61 -1.32 0.00 0.00 176.35 175.55