#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbf s SER 2 N 0.00 -0.22 -0.02 1.61 0.15 -1.26 -5.17 113.70 108.79 2dbf s SER 2 Ca 0.00 -0.67 -0.01 0.00 0.70 0.00 0.00 55.95 55.97 2dbf s SER 2 Cb 0.00 0.65 0.02 0.00 -1.71 0.00 0.00 66.02 64.99 2dbf s SER 2 CO 0.00 -1.22 0.04 -0.44 1.20 0.00 0.00 173.24 172.82 2dbf s SER 3 N -2.94 0.02 0.00 5.45 0.01 -1.26 -5.03 113.70 109.95 2dbf s SER 3 Ca 0.14 0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2dbf s SER 3 Cb -0.03 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2dbf s SER 3 CO 0.05 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.22 2dbf n GLY 4 N 3.87 -0.36 3.94 3.44 0.00 -1.26 -5.11 105.19 109.71 2dbf n GLY 4 Ca -0.23 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.82 2dbf n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbf s SER 5 N 0.00 6.33 -0.14 1.61 0.01 -1.26 -5.11 113.70 115.15 2dbf s SER 5 Ca 0.00 0.40 -0.06 0.00 1.31 0.00 0.00 55.95 57.61 2dbf s SER 5 Cb 0.00 -2.01 0.06 0.00 0.21 0.00 0.00 66.02 64.28 2dbf s SER 5 CO 0.00 -0.19 0.29 -0.55 0.41 0.00 0.00 173.24 173.20 2dbf s SER 6 N -3.74 0.06 0.00 2.44 0.15 -1.26 -5.07 113.70 106.27 2dbf s SER 6 Ca 0.39 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.70 2dbf s SER 6 Cb -0.10 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 64.95 2dbf s SER 6 CO 0.33 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.16 2dbf n GLY 7 N 5.02 1.08 2.54 9.45 0.00 -1.26 -4.91 105.19 117.10 2dbf n GLY 7 Ca -0.12 -0.90 -0.14 0.00 0.00 0.00 0.00 46.02 44.86 2dbf n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dbf n ASP 8 N 0.00 2.91 -0.03 1.61 8.00 -0.60 -4.80 116.55 123.64 2dbf n ASP 8 Ca 0.00 -2.97 -0.03 0.00 0.71 0.00 0.00 54.79 52.50 2dbf n ASP 8 Cb 0.00 -0.46 -0.13 0.00 -0.02 0.00 0.00 41.12 40.50 2dbf n ASP 8 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2dbf n MET 9 N -0.42 0.65 0.06 -1.24 2.81 -0.29 -4.16 117.12 114.52 2dbf n MET 9 Ca 0.22 0.09 0.14 0.00 -1.81 0.00 0.00 57.70 56.34 2dbf n MET 9 Cb 0.81 -1.66 0.61 0.00 -0.71 0.00 0.00 33.22 32.27 2dbf n MET 9 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2dbf h LYS 10 N 0.00 0.13 0.00 0.03 3.64 -1.87 0.33 116.57 118.83 2dbf h LYS 10 Ca -0.29 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.02 2dbf h LYS 10 Cb 1.80 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.58 2dbf h LYS 10 CO 0.04 0.08 -0.26 -0.56 -2.27 0.00 0.00 179.45 176.48 2dbf h GLN 11 N 0.13 0.00 -6.24 1.90 3.07 -1.96 -3.42 115.11 108.59 2dbf h GLN 11 Ca 0.18 0.00 -0.56 0.00 0.09 0.00 0.00 58.65 58.36 2dbf h GLN 11 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.08 2dbf h GLN 11 CO -0.02 0.26 0.93 -0.51 0.09 0.00 0.00 178.83 179.58 2dbf s LEU 12 N -8.34 4.26 0.75 0.06 1.43 0.10 -4.98 118.68 111.96 2dbf s LEU 12 Ca -0.03 1.95 -0.15 0.00 -1.03 0.00 0.00 54.13 54.87 2dbf s LEU 12 Cb 0.15 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.88 2dbf s LEU 12 CO 0.70 -0.79 1.23 0.00 0.23 0.00 0.00 176.35 177.72 2dbf s ALA 13 N 3.35 2.02 0.22 4.21 0.00 -1.26 -4.86 121.76 125.43 2dbf s ALA 13 Ca 0.62 0.96 -0.08 0.00 0.00 0.00 0.00 51.96 53.46 2dbf s ALA 13 Cb -0.27 -3.51 0.19 0.00 0.00 0.00 0.00 23.12 19.53 2dbf s ALA 13 CO 0.22 -2.06 1.88 0.93 0.00 0.00 0.00 175.76 176.73 2dbf h GLU 14 N -0.43 1.14 -0.20 0.00 5.08 -1.94 -1.89 114.58 116.34 2dbf h GLU 14 Ca -0.48 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 57.76 2dbf h GLU 14 Cb 1.31 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 2dbf h GLU 14 CO 0.48 0.78 -0.05 -0.44 -1.00 0.00 0.00 179.01 178.78 2dbf h ASP 15 N 1.16 0.28 -0.53 1.42 5.19 -1.98 0.35 116.42 122.32 2dbf h ASP 15 Ca 0.31 -0.05 -0.07 0.00 -0.62 0.00 0.00 57.03 56.60 2dbf h ASP 15 Cb -0.09 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.32 2dbf h ASP 15 CO -0.06 0.38 0.06 0.58 -3.12 0.00 0.00 179.24 177.07 2dbf h VAL 16 N 0.29 1.26 0.00 -1.35 2.07 -1.69 -2.65 116.25 114.18 2dbf h VAL 16 Ca 0.07 -1.00 -0.20 0.00 0.82 0.00 0.00 66.70 66.38 2dbf h VAL 16 Cb 0.29 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2dbf h VAL 16 CO 0.01 0.36 -1.10 0.11 0.02 0.00 0.00 177.57 176.98 2dbf h LYS 17 N 0.78 0.00 -0.61 1.57 1.57 -1.16 -3.32 116.57 115.41 2dbf h LYS 17 Ca 0.16 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2dbf h LYS 17 Cb 0.45 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 2dbf h LYS 17 CO 0.02 0.74 0.40 -0.07 -0.57 0.00 0.00 179.45 179.97 2dbf h LEU 18 N 0.00 0.70 -1.34 2.94 3.38 -0.20 -2.12 115.31 118.66 2dbf h LEU 18 Ca -0.08 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2dbf h LEU 18 Cb 1.74 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 2dbf h LEU 18 CO 0.10 0.51 -0.01 1.56 0.09 0.00 0.00 178.44 180.69 2dbf h GLN 19 N 0.82 0.42 -0.48 1.13 4.20 -1.58 -2.35 115.11 117.27 2dbf h GLN 19 Ca 0.22 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2dbf h GLN 19 Cb -0.09 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 2dbf h GLN 19 CO -0.05 0.46 0.32 -0.07 -0.67 0.00 0.00 178.83 178.82 2dbf h LEU 20 N 0.41 0.55 -1.42 1.46 3.38 -1.48 -1.35 115.31 116.87 2dbf h LEU 20 Ca 0.09 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2dbf h LEU 20 Cb 0.29 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2dbf h LEU 20 CO 0.01 0.40 -0.13 1.88 0.09 0.00 0.00 178.44 180.70 2dbf h TYR 21 N 0.65 0.24 -0.01 1.13 0.05 -1.28 -0.69 116.97 117.06 2dbf h TYR 21 Ca 0.18 -0.03 -0.16 0.00 0.05 0.00 0.00 58.73 58.77 2dbf h TYR 21 Cb -0.07 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.58 2dbf h TYR 21 CO 0.00 0.36 -0.73 0.87 -1.05 0.00 0.00 178.16 177.61 2dbf h LYS 22 N 0.22 0.10 0.03 4.88 6.56 -1.29 -2.57 116.57 124.49 2dbf h LYS 22 Ca 0.04 -0.09 -0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2dbf h LYS 22 Cb 0.36 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 2dbf h LYS 22 CO 0.02 0.78 -0.01 -0.07 -2.06 0.00 0.00 179.45 178.11 2dbf h LEU 23 N 0.06 -0.03 -2.19 2.94 3.38 -1.08 -3.27 115.31 115.11 2dbf h LEU 23 Ca -0.02 -0.69 0.01 0.00 0.09 0.00 0.00 57.88 57.28 2dbf h LEU 23 Cb 1.29 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 2dbf h LEU 23 CO 0.10 0.73 0.03 -0.07 0.09 0.00 0.00 178.44 179.33 2dbf h LEU 24 N -0.86 0.00 -2.21 1.67 3.38 -1.23 -1.25 115.31 114.79 2dbf h LEU 24 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2dbf h LEU 24 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2dbf h LEU 24 CO 0.01 0.00 0.18 -0.08 0.09 0.00 0.00 178.44 178.64 2dbf h GLU 25 N 0.00 0.00 -6.29 1.13 4.22 -1.51 -2.47 114.58 109.67 2dbf h GLU 25 Ca 0.02 0.00 -0.54 0.00 0.08 0.00 0.00 59.36 58.91 2dbf h GLU 25 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.34 2dbf h GLU 25 CO -0.00 0.00 1.23 0.42 -2.18 0.00 0.00 179.01 178.48 2dbf s ILE 26 N -4.69 3.18 -1.16 2.32 1.01 -0.48 -4.86 121.20 116.52 2dbf s ILE 26 Ca -0.05 0.21 -0.09 0.00 0.00 0.00 0.00 60.65 60.73 2dbf s ILE 26 Cb 0.16 -3.15 -0.07 0.00 0.01 0.00 0.00 42.46 39.41 2dbf s ILE 26 CO 0.57 -0.04 2.38 -0.81 0.00 0.00 0.00 174.94 177.04 2dbf n PRO 27 N 7.63 2.61 -4.42 2.79 -0.04 -1.26 -3.79 135.00 138.52 2dbf n PRO 27 Ca 0.21 -1.78 -0.31 0.00 -0.04 0.00 0.00 63.50 61.58 2dbf n PRO 27 Cb 0.42 -2.64 -0.11 0.00 -0.04 0.00 0.00 33.50 31.14 2dbf n PRO 27 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dbf s ASP 28 N 3.11 4.37 0.14 3.54 1.11 -1.25 -5.00 116.67 122.69 2dbf s ASP 28 Ca 0.51 -0.29 -0.23 0.00 0.18 0.00 0.00 52.55 52.72 2dbf s ASP 28 Cb 0.13 -0.89 0.01 0.00 1.07 0.00 0.00 42.92 43.24 2dbf s ASP 28 CO -0.03 0.24 1.63 -0.65 1.18 0.00 0.00 175.17 177.53 2dbf h PRO 29 N 4.18 -0.26 -0.88 8.23 0.11 -1.98 -1.92 132.00 139.47 2dbf h PRO 29 Ca -0.48 0.02 -0.52 0.00 0.11 0.00 0.00 66.00 65.12 2dbf h PRO 29 Cb 1.16 0.06 -0.28 0.00 0.11 0.00 0.00 31.00 32.05 2dbf h PRO 29 CO 0.52 -0.18 0.51 -0.25 -0.21 0.00 0.00 178.00 178.40 2dbf n ASP 30 N -5.38 4.91 -2.56 -2.05 9.92 -1.26 -4.36 116.55 115.78 2dbf n ASP 30 Ca -0.02 -3.71 -0.02 0.00 -0.53 0.00 0.00 54.79 50.52 2dbf n ASP 30 Cb 0.29 -0.82 0.12 0.00 -0.64 0.00 0.00 41.12 40.07 2dbf n ASP 30 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2dbf n LYS 31 N -1.04 1.26 -4.43 -1.24 5.02 -0.82 -4.39 118.16 112.52 2dbf n LYS 31 Ca 0.56 -1.14 -0.26 0.00 -2.02 0.00 0.00 58.31 55.45 2dbf n LYS 31 Cb 1.20 0.41 -0.11 0.00 -0.02 0.00 0.00 35.03 36.51 2dbf n LYS 31 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2dbf s ASN 32 N -1.06 3.55 0.25 4.39 3.84 -0.79 -3.90 114.94 121.22 2dbf s ASN 32 Ca 0.08 -0.89 -0.06 0.00 0.21 0.00 0.00 52.86 52.21 2dbf s ASN 32 Cb 0.41 -0.31 0.27 0.00 -0.55 0.00 0.00 41.25 41.07 2dbf s ASN 32 CO -0.12 0.09 1.88 4.11 -2.79 0.00 0.00 177.10 180.28 2dbf h TRP 33 N 2.89 1.19 -0.88 0.43 5.08 -1.70 -2.39 115.95 120.58 2dbf h TRP 33 Ca -0.45 -0.02 -0.01 0.00 1.08 0.00 0.00 58.89 59.49 2dbf h TRP 33 Cb 1.22 -0.39 -0.04 0.00 -3.00 0.00 0.00 29.16 26.96 2dbf h TRP 33 CO 0.72 0.81 0.49 0.00 -1.28 0.00 0.00 178.44 179.18 2dbf h ALA 34 N 1.33 1.12 -0.54 0.11 0.00 -1.93 -1.63 119.26 117.72 2dbf h ALA 34 Ca 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2dbf h ALA 34 Cb -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 2dbf h ALA 34 CO -0.05 0.62 0.25 1.15 0.00 0.00 0.00 179.25 181.22 2dbf h THR 35 N 1.22 1.20 -0.21 0.00 2.02 -1.75 -2.52 112.91 112.88 2dbf h THR 35 Ca 0.31 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 2dbf h THR 35 Cb 0.01 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 2dbf h THR 35 CO -0.05 0.23 -0.16 0.25 0.37 0.00 0.00 175.52 176.16 2dbf h LEU 36 N 0.72 0.34 -1.82 2.58 5.85 -1.13 -2.42 115.31 119.43 2dbf h LEU 36 Ca 0.18 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2dbf h LEU 36 Cb 0.14 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 2dbf h LEU 36 CO -0.02 0.52 0.12 0.00 -0.34 0.00 0.00 178.44 178.72 2dbf h ALA 37 N 1.52 1.87 0.09 1.25 0.00 -0.86 -0.58 119.26 122.54 2dbf h ALA 37 Ca 0.06 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 2dbf h ALA 37 Cb 0.48 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.21 2dbf h ALA 37 CO 0.03 0.12 -1.16 1.96 0.00 0.00 0.00 179.25 180.20 2dbf h GLN 38 N 0.25 0.49 0.07 0.00 1.08 -1.32 0.62 115.11 116.30 2dbf h GLN 38 Ca 0.07 -0.65 -0.00 0.00 -1.45 0.00 0.00 58.65 56.61 2dbf h GLN 38 Cb -0.02 0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2dbf h GLN 38 CO -0.01 1.27 -0.03 0.87 -0.95 0.00 0.00 178.83 179.97 2dbf h LYS 39 N 0.22 -0.09 0.27 1.46 6.56 -1.18 -3.34 116.57 120.47 2dbf h LYS 39 Ca -0.15 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.44 2dbf h LYS 39 Cb 1.84 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 33.52 2dbf h LYS 39 CO 0.21 0.23 -0.13 -0.07 -2.06 0.00 0.00 179.45 177.63 2dbf h LEU 40 N -0.42 -0.31 0.00 2.94 3.38 -1.25 -3.47 115.31 116.19 2dbf h LEU 40 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dbf h LEU 40 Cb 0.36 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2dbf h LEU 40 CO 0.02 -0.21 0.00 0.61 0.09 0.00 0.00 178.44 178.95 2dbf n GLY 41 N -0.96 0.00 1.63 0.83 0.00 -1.01 -5.06 105.19 100.62 2dbf n GLY 41 Ca -0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.00 2dbf n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dbf n LEU 42 N 0.00 0.89 0.25 0.99 4.77 0.21 -4.88 117.00 119.23 2dbf n LEU 42 Ca 0.00 -2.13 0.11 0.00 -0.03 0.00 0.00 56.01 53.96 2dbf n LEU 42 Cb 0.00 0.05 0.68 0.00 -2.33 0.00 0.00 43.42 41.82 2dbf n LEU 42 CO 0.00 0.65 0.96 1.23 -1.33 0.00 0.00 177.39 178.90 2dbf h GLY 43 N 1.11 0.00 1.87 -0.72 0.00 -1.69 -2.27 103.07 101.36 2dbf h GLY 43 Ca -0.25 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.94 2dbf h GLY 43 CO 0.08 0.00 -0.62 1.19 0.00 0.00 0.00 176.54 177.19 2dbf h ILE 44 N 0.00 1.41 -0.90 2.60 6.09 -1.89 -3.04 117.51 121.78 2dbf h ILE 44 Ca -0.00 -2.06 -0.48 0.00 -1.37 0.00 0.00 64.86 60.95 2dbf h ILE 44 Cb 0.33 2.08 -0.28 0.00 0.47 0.00 0.00 36.82 39.42 2dbf h ILE 44 CO 0.02 0.60 0.62 0.18 -3.07 0.00 0.00 178.15 176.49 2dbf n LEU 45 N -3.84 6.50 -0.05 2.19 4.77 -0.86 -4.49 117.00 121.23 2dbf n LEU 45 Ca -0.02 -3.48 -0.13 0.00 -0.03 0.00 0.00 56.01 52.35 2dbf n LEU 45 Cb 0.62 -0.83 -0.07 0.00 -2.33 0.00 0.00 43.42 40.81 2dbf n LEU 45 CO 0.44 1.05 0.58 -1.13 -1.33 0.00 0.00 177.39 176.99 2dbf h ASN 46 N 1.02 0.38 -0.13 -1.43 -0.73 -1.49 -3.02 115.58 110.18 2dbf h ASN 46 Ca 0.57 -0.50 -0.02 0.00 1.87 0.00 0.00 56.30 58.22 2dbf h ASN 46 Cb 2.47 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 40.94 2dbf h ASN 46 CO 1.05 0.81 0.04 0.78 -0.37 0.00 0.00 177.43 179.74 2dbf h ASN 47 N -0.03 0.23 -0.11 1.15 2.35 -1.85 -2.50 115.58 114.82 2dbf h ASN 47 Ca 0.02 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2dbf h ASN 47 Cb 0.71 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.02 2dbf h ASN 47 CO 0.04 0.25 0.05 0.00 -1.65 0.00 0.00 177.43 176.11 2dbf h ALA 48 N 1.79 0.14 -0.34 -0.83 0.00 -1.86 -2.73 119.26 115.44 2dbf h ALA 48 Ca 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2dbf h ALA 48 Cb 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2dbf h ALA 48 CO -0.00 -0.28 0.10 0.74 0.00 0.00 0.00 179.25 179.81 2dbf h PHE 49 N 0.03 0.49 -0.79 0.00 0.04 -1.35 -2.44 116.94 112.91 2dbf h PHE 49 Ca 0.04 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.79 2dbf h PHE 49 Cb 0.16 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.12 2dbf h PHE 49 CO -0.02 0.42 0.52 -0.09 -0.60 0.00 0.00 178.31 178.54 2dbf h ARG 50 N 0.49 1.05 -0.58 1.51 2.43 -1.17 -2.34 114.38 115.78 2dbf h ARG 50 Ca 0.12 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 2dbf h ARG 50 Cb 0.16 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2dbf h ARG 50 CO -0.01 0.71 0.08 -0.07 -1.51 0.00 0.00 179.97 179.17 2dbf h LEU 51 N 1.08 0.89-10.20 3.80 3.38 -1.16 -3.44 115.31 109.65 2dbf h LEU 51 Ca 0.29 -0.20 -0.54 0.00 0.09 0.00 0.00 57.88 57.52 2dbf h LEU 51 Cb -0.11 -0.24 0.18 0.00 0.09 0.00 0.00 40.66 40.59 2dbf h LEU 51 CO -0.06 0.91 0.35 -0.44 0.09 0.00 0.00 178.44 179.28 2dbf s SER 52 N -6.57 3.66 0.51 -0.43 0.01 -0.89 -4.90 113.70 105.10 2dbf s SER 52 Ca -0.11 2.37 0.24 0.00 1.31 0.00 0.00 55.95 59.76 2dbf s SER 52 Cb 0.15 -2.59 1.39 0.00 0.21 0.00 0.00 66.02 65.18 2dbf s SER 52 CO 0.83 -2.62 2.09 1.55 0.41 0.00 0.00 173.24 175.49 2dbf h PRO 53 N -0.83 0.00 -2.57 12.44 0.13 -1.85 -3.35 132.00 135.97 2dbf h PRO 53 Ca -0.46 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.08 2dbf h PRO 53 Cb 1.30 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.04 2dbf h PRO 53 CO 0.47 0.11 -0.87 0.00 -0.23 0.00 0.00 178.00 177.48 2dbf s ALA 54 N -4.42 1.33 0.56 -0.56 0.00 -1.26 -4.98 121.76 112.43 2dbf s ALA 54 Ca -0.04 -2.22 0.30 0.00 0.00 0.00 0.00 51.96 50.01 2dbf s ALA 54 Cb 0.14 -1.65 1.46 0.00 0.00 0.00 0.00 23.12 23.07 2dbf s ALA 54 CO 0.61 -2.06 1.88 -1.35 0.00 0.00 0.00 175.76 174.84 2dbf h PRO 55 N 6.45 0.00 0.02 0.00 0.11 -1.69 0.39 132.00 137.28 2dbf h PRO 55 Ca 0.13 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.03 2dbf h PRO 55 Cb 0.94 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 2dbf h PRO 55 CO 0.34 0.00 -0.98 0.66 -0.21 0.00 0.00 178.00 177.81 2dbf h SER 56 N 0.00 0.10 0.16 -2.05 4.64 -1.92 -2.95 113.55 111.54 2dbf h SER 56 Ca 0.34 -0.10 -0.23 0.00 -0.47 0.00 0.00 61.79 61.34 2dbf h SER 56 Cb 1.53 -0.03 0.02 0.00 -0.31 0.00 0.00 62.40 63.62 2dbf h SER 56 CO -0.00 1.02 -1.03 0.50 -0.87 0.00 0.00 176.83 176.45 2dbf h LYS 57 N 0.03 0.35 -0.08 4.77 3.64 -0.74 -3.30 116.57 121.24 2dbf h LYS 57 Ca -0.03 -0.59 -0.02 0.00 -1.27 0.00 0.00 60.65 58.73 2dbf h LYS 57 Cb 1.70 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.74 2dbf h LYS 57 CO 0.14 1.28 -0.05 1.15 -2.27 0.00 0.00 179.45 179.70 2dbf h THR 58 N -0.25 1.09 -0.32 1.00 2.02 -0.91 -2.53 112.91 113.01 2dbf h THR 58 Ca -0.19 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2dbf h THR 58 Cb 1.77 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 69.26 2dbf h THR 58 CO 0.17 0.12 0.21 0.25 0.37 0.00 0.00 175.52 176.64 2dbf h LEU 59 N 0.11 0.37 -1.14 2.58 5.85 -1.60 -0.33 115.31 121.15 2dbf h LEU 59 Ca 0.03 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 2dbf h LEU 59 Cb 0.17 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2dbf h LEU 59 CO 0.01 0.28 -0.38 0.24 -0.34 0.00 0.00 178.44 178.25 2dbf h MET 60 N 0.43 0.10 -0.04 1.25 2.86 -1.56 0.15 114.93 118.12 2dbf h MET 60 Ca 0.12 -0.04 -0.14 0.00 -2.06 0.00 0.00 59.70 57.58 2dbf h MET 60 Cb -0.04 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2dbf h MET 60 CO -0.02 0.47 -0.60 0.22 1.06 0.00 0.00 176.91 178.03 2dbf h ASP 61 N 0.08 0.17 0.57 1.22 3.58 -1.04 -1.80 116.42 119.20 2dbf h ASP 61 Ca 0.01 -0.10 -0.28 0.00 0.42 0.00 0.00 57.03 57.08 2dbf h ASP 61 Cb 0.71 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.68 2dbf h ASP 61 CO 0.05 0.73 -1.56 0.78 -2.88 0.00 0.00 179.24 176.36 2dbf h ASN 62 N 0.11 0.08 0.25 2.28 2.35 -0.75 -3.29 115.58 116.60 2dbf h ASN 62 Ca -0.01 -0.15 -0.16 0.00 -0.55 0.00 0.00 56.30 55.44 2dbf h ASN 62 Cb 1.09 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 2dbf h ASN 62 CO 0.09 1.13 -0.61 0.22 -1.65 0.00 0.00 177.43 176.61 2dbf h TYR 63 N 0.01 0.46 -0.58 1.19 3.20 -0.69 -2.02 116.97 118.56 2dbf h TYR 63 Ca -0.23 -0.18 -0.10 0.00 3.14 0.00 0.00 58.73 61.36 2dbf h TYR 63 Cb 1.96 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 40.13 2dbf h TYR 63 CO 0.01 0.87 -0.03 1.49 -1.64 0.00 0.00 178.16 178.86 2dbf h GLU 64 N 0.27 1.03 0.00 1.82 4.81 -1.45 0.15 114.58 121.20 2dbf h GLU 64 Ca -0.01 -0.34 -0.16 0.00 -0.13 0.00 0.00 59.36 58.73 2dbf h GLU 64 Cb 1.13 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 2dbf h GLU 64 CO 0.10 1.02 -0.75 0.28 -0.73 0.00 0.00 179.01 178.94 2dbf h VAL 65 N 0.93 1.50 -0.91 0.32 2.07 -1.61 -3.15 116.25 115.40 2dbf h VAL 65 Ca 0.16 -2.59 -0.50 0.00 0.82 0.00 0.00 66.70 64.59 2dbf h VAL 65 Cb 0.58 2.41 -0.28 0.00 -1.52 0.00 0.00 31.29 32.48 2dbf h VAL 65 CO 0.03 0.73 0.64 -1.20 0.02 0.00 0.00 177.57 177.79 2dbf n SER 66 N -3.60 4.30 -1.43 0.57 7.64 -0.76 -4.90 113.62 115.43 2dbf n SER 66 Ca -0.01 -3.50 0.00 0.00 1.01 0.00 0.00 58.87 56.37 2dbf n SER 66 Cb 0.74 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 2dbf n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbf n GLY 67 N -0.96 -0.93 3.40 0.23 0.00 -0.95 -4.96 105.19 101.02 2dbf n GLY 67 Ca 0.55 -0.15 -0.44 0.00 0.00 0.00 0.00 46.02 45.98 2dbf n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dbf s GLY 68 N -0.82 1.88 0.52 -0.02 0.00 0.49 -4.80 107.32 104.58 2dbf s GLY 68 Ca 0.00 -2.02 0.09 0.00 0.00 0.00 0.00 44.72 42.79 2dbf s GLY 68 CO 0.00 1.35 0.72 -0.51 0.00 0.00 0.00 173.10 174.66 2dbf s THR 69 N 2.27 2.41 -0.20 0.90 -4.23 -1.26 -1.14 115.64 114.39 2dbf s THR 69 Ca 0.10 -1.01 0.08 0.00 -1.18 0.00 0.00 61.69 59.68 2dbf s THR 69 Cb -0.23 -2.42 -0.17 0.00 1.34 0.00 0.00 72.50 71.02 2dbf s THR 69 CO 0.08 0.00 -0.08 0.52 -0.54 0.00 0.00 174.62 174.60 2dbf n VAL 70 N -2.11 1.22 0.13 2.29 0.31 -1.26 -4.01 118.33 114.89 2dbf n VAL 70 Ca 0.13 -0.59 0.08 0.00 -0.01 0.00 0.00 64.34 63.95 2dbf n VAL 70 Cb 0.61 -0.95 0.56 0.00 -0.91 0.00 0.00 33.84 33.15 2dbf n VAL 70 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2dbf h ARG 71 N 0.00 0.21 0.04 5.55 2.47 -1.97 -1.32 114.38 119.35 2dbf h ARG 71 Ca -0.48 -0.01 -0.24 0.00 -1.26 0.00 0.00 59.98 57.99 2dbf h ARG 71 Cb 1.89 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 30.14 2dbf h ARG 71 CO -0.03 0.14 -1.18 0.93 0.56 0.00 0.00 179.97 180.39 2dbf h GLU 72 N 0.21 0.08 -0.39 0.04 4.39 -2.00 -3.08 114.58 113.83 2dbf h GLU 72 Ca 0.09 -0.13 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 2dbf h GLU 72 Cb 0.10 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2dbf h GLU 72 CO -0.02 1.00 -0.22 1.25 -1.16 0.00 0.00 179.01 179.87 2dbf h LEU 73 N 0.02 0.79 -0.28 1.33 5.85 -1.42 -0.34 115.31 121.26 2dbf h LEU 73 Ca -0.09 -0.28 -0.16 0.00 0.84 0.00 0.00 57.88 58.19 2dbf h LEU 73 Cb 1.86 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.67 2dbf h LEU 73 CO 0.14 0.98 -0.46 0.58 -0.34 0.00 0.00 178.44 179.35 2dbf h VAL 74 N 0.68 1.29 -0.40 1.05 2.07 -1.38 -2.30 116.25 117.26 2dbf h VAL 74 Ca 0.10 -1.65 -0.15 0.00 0.82 0.00 0.00 66.70 65.82 2dbf h VAL 74 Cb 0.73 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2dbf h VAL 74 CO 0.06 0.53 -0.34 -0.33 0.02 0.00 0.00 177.57 177.51 2dbf h GLU 75 N 0.57 0.91 -0.36 1.57 5.08 -1.45 -2.56 114.58 118.34 2dbf h GLU 75 Ca 0.02 -0.45 -0.07 0.00 -1.00 0.00 0.00 59.36 57.86 2dbf h GLU 75 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 2dbf h GLU 75 CO 0.10 1.11 -0.06 0.00 -1.00 0.00 0.00 179.01 179.16 2dbf h ALA 76 N 0.84 1.22 -0.12 3.43 0.00 -1.06 -1.02 119.26 122.55 2dbf h ALA 76 Ca 0.07 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2dbf h ALA 76 Cb 0.93 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2dbf h ALA 76 CO 0.09 0.51 -0.50 -0.07 0.00 0.00 0.00 179.25 179.28 2dbf h LEU 77 N 0.56 0.36 -0.08 0.00 3.38 -1.29 -2.87 115.31 115.36 2dbf h LEU 77 Ca 0.11 -0.18 -0.25 0.00 0.09 0.00 0.00 57.88 57.65 2dbf h LEU 77 Cb 0.45 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.12 2dbf h LEU 77 CO 0.02 0.80 -0.94 -0.09 0.09 0.00 0.00 178.44 178.33 2dbf h ARG 78 N 0.26 0.71 -0.44 1.13 2.43 -1.08 0.36 114.38 117.77 2dbf h ARG 78 Ca 0.01 -0.69 -0.00 0.00 -0.81 0.00 0.00 59.98 58.49 2dbf h ARG 78 Cb 0.97 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 2dbf h ARG 78 CO 0.08 1.28 0.26 1.96 -1.51 0.00 0.00 179.97 182.05 2dbf h GLN 79 N 0.44 0.58 0.13 0.20 4.20 -1.15 -2.34 115.11 117.17 2dbf h GLN 79 Ca -0.10 -0.04 -0.28 0.00 0.06 0.00 0.00 58.65 58.29 2dbf h GLN 79 Cb 1.58 -0.13 0.01 0.00 0.30 0.00 0.00 27.48 29.24 2dbf h GLN 79 CO 0.19 0.41 -1.26 0.52 -0.67 0.00 0.00 178.83 178.01 2dbf h MET 80 N 0.60 0.28 0.00 1.46 2.86 -1.51 -3.48 114.93 115.14 2dbf h MET 80 Ca 0.16 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 2dbf h MET 80 Cb -0.02 0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2dbf h MET 80 CO -0.03 1.23 0.00 0.41 1.06 0.00 0.00 176.91 179.58 2dbf n GLY 81 N 1.54 1.96 3.70 8.32 0.00 -0.82 -4.71 105.19 115.17 2dbf n GLY 81 Ca -0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 2dbf n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dbf s TYR 82 N -2.00 3.47 -0.10 1.61 2.02 0.12 -4.94 117.35 117.53 2dbf s TYR 82 Ca 0.00 0.91 0.07 0.00 -0.37 0.00 0.00 57.07 57.68 2dbf s TYR 82 Cb 0.00 -2.65 -0.11 0.00 -0.40 0.00 0.00 41.96 38.80 2dbf s TYR 82 CO 0.00 0.05 0.00 2.41 -1.57 0.00 0.00 175.55 176.44 2dbf n THR 83 N 4.04 0.68 0.05 -0.71 -1.04 -1.26 -4.36 114.28 111.67 2dbf n THR 83 Ca -0.05 -0.38 -0.09 0.00 -2.04 0.00 0.00 64.05 61.48 2dbf n THR 83 Cb 0.51 -0.78 -0.13 0.00 -1.82 0.00 0.00 70.33 68.11 2dbf n THR 83 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2dbf h GLU 84 N 0.00 0.06 -0.03 -2.82 4.81 -1.99 -3.02 114.58 111.59 2dbf h GLU 84 Ca -0.27 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 58.75 2dbf h GLU 84 Cb 1.57 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.97 2dbf h GLU 84 CO 0.00 0.93 -0.51 0.00 -0.73 0.00 0.00 179.01 178.69 2dbf h ALA 85 N 0.90 1.10 0.17 2.92 0.00 -1.97 -2.98 119.26 119.39 2dbf h ALA 85 Ca -0.11 -0.47 -0.31 0.00 0.00 0.00 0.00 54.91 54.02 2dbf h ALA 85 Cb 1.87 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 19.61 2dbf h ALA 85 CO 0.13 0.65 -1.33 0.82 0.00 0.00 0.00 179.25 179.52 2dbf h ILE 86 N 0.06 1.30 -0.15 0.00 2.04 -1.76 -3.26 117.51 115.73 2dbf h ILE 86 Ca -0.00 -2.60 0.00 0.00 1.00 0.00 0.00 64.86 63.26 2dbf h ILE 86 Cb 0.93 2.84 -0.01 0.00 -0.74 0.00 0.00 36.82 39.84 2dbf h ILE 86 CO 0.07 0.78 0.10 -0.33 0.00 0.00 0.00 178.15 178.78 2dbf h GLU 87 N 0.21 0.19 -0.04 2.37 4.39 -1.48 -0.93 114.58 119.29 2dbf h GLU 87 Ca -0.21 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.40 2dbf h GLU 87 Cb 2.01 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.61 2dbf h GLU 87 CO 0.25 0.13 -0.34 0.28 -1.16 0.00 0.00 179.01 178.16 2dbf h VAL 88 N 0.20 1.26 0.02 3.13 2.07 -1.57 -0.12 116.25 121.23 2dbf h VAL 88 Ca 0.06 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 2dbf h VAL 88 Cb -0.01 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2dbf h VAL 88 CO -0.01 0.36 -0.01 0.40 0.02 0.00 0.00 177.57 178.33 2dbf h ILE 89 N 0.06 0.64 -0.16 4.57 2.04 -1.29 -3.30 117.51 120.08 2dbf h ILE 89 Ca 0.01 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 64.42 2dbf h ILE 89 Cb 0.64 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2dbf h ILE 89 CO 0.05 0.21 0.10 1.56 0.00 0.00 0.00 178.15 180.08 2dbf h GLN 90 N -1.00 0.19 -0.12 2.37 4.20 -1.41 0.17 115.11 119.52 2dbf h GLN 90 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2dbf h GLN 90 Cb 0.37 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2dbf h GLN 90 CO 0.00 0.13 0.08 0.00 -0.67 0.00 0.00 178.83 178.37 2dbf h ALA 91 N 1.90 1.92 0.00 3.87 0.00 -1.13 -3.31 119.26 122.52 2dbf h ALA 91 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2dbf h ALA 91 Cb -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2dbf h ALA 91 CO -0.01 0.07 -0.88 0.00 0.00 0.00 0.00 179.25 178.42 2dbf n ALA 92 N -2.52 0.78 -1.45 0.00 0.00 -0.49 -5.01 120.51 111.82 2dbf n ALA 92 Ca -0.01 -0.75 -0.30 0.00 0.00 0.00 0.00 53.44 52.38 2dbf n ALA 92 Cb 0.09 0.03 0.10 0.00 0.00 0.00 0.00 19.45 19.66 2dbf n ALA 92 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dbf s SER 93 N -5.73 4.27 -0.24 0.00 0.15 0.48 -4.67 113.70 107.96 2dbf s SER 93 Ca -0.26 1.39 -0.07 0.00 0.70 0.00 0.00 55.95 57.71 2dbf s SER 93 Cb 0.04 -2.12 0.03 0.00 -1.71 0.00 0.00 66.02 62.26 2dbf s SER 93 CO 0.38 -2.12 0.15 -1.20 1.20 0.00 0.00 173.24 171.65 2dbf n SER 94 N -3.54 -3.45 -4.39 5.45 7.64 -1.26 -4.53 113.62 109.54 2dbf n SER 94 Ca 0.07 1.38 -0.19 0.00 1.01 0.00 0.00 58.87 61.14 2dbf n SER 94 Cb 0.56 -5.29 -0.10 0.00 -1.01 0.00 0.00 64.21 58.36 2dbf n SER 94 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dbf s SER 95 N -1.06 1.99 0.00 6.43 0.15 -1.26 -4.92 113.70 115.03 2dbf s SER 95 Ca -0.17 -1.33 0.00 0.00 0.70 0.00 0.00 55.95 55.14 2dbf s SER 95 Cb 0.01 -0.01 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2dbf s SER 95 CO 0.79 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2dbf n GLY 96 N -0.57 0.49 3.48 9.45 0.00 -1.26 -5.10 105.19 111.68 2dbf n GLY 96 Ca -0.03 0.07 -0.46 0.00 0.00 0.00 0.00 46.02 45.60 2dbf n GLY 96 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2dbf n PRO 97 N 0.00 1.04 -1.29 1.61 -0.02 -1.26 -4.82 135.00 130.26 2dbf n PRO 97 Ca 0.00 0.23 -0.28 0.00 -2.02 0.00 0.00 63.50 61.44 2dbf n PRO 97 Cb 0.00 -2.60 0.13 0.00 -0.02 0.00 0.00 33.50 31.01 2dbf n PRO 97 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2dbf n SER 98 N 11.13 5.57 -2.92 2.55 2.88 -1.26 -4.69 113.62 126.88 2dbf n SER 98 Ca 0.42 -3.72 -0.01 0.00 -1.33 0.00 0.00 58.87 54.23 2dbf n SER 98 Cb 0.28 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 2dbf n SER 98 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dbf s SER 99 N -1.76 -1.22 0.00 -3.46 0.15 -1.26 -5.36 113.70 100.79 2dbf s SER 99 Ca 0.60 -1.03 0.30 0.00 0.70 0.00 0.00 55.95 56.51 2dbf s SER 99 Cb 0.49 1.58 1.47 0.00 -1.71 0.00 0.00 66.02 67.84 2dbf s SER 99 CO 0.04 -0.09 1.98 0.61 1.20 0.00 0.00 173.24 176.98