#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbf n SER 2 N 0.00 -6.15 -4.71 1.61 2.88 -1.26 -4.97 113.62 101.02 2dbf n SER 2 Ca 0.00 -0.45 -0.37 0.00 -1.33 0.00 0.00 58.87 56.72 2dbf n SER 2 Cb 0.00 -4.83 -0.07 0.00 -0.75 0.00 0.00 64.21 58.56 2dbf n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dbf s SER 3 N -3.15 6.51 -0.72 -3.46 0.15 -1.26 -5.00 113.70 106.77 2dbf s SER 3 Ca 0.49 0.60 -0.26 0.00 0.70 0.00 0.00 55.95 57.48 2dbf s SER 3 Cb -0.22 -2.23 -0.06 0.00 -1.71 0.00 0.00 66.02 61.80 2dbf s SER 3 CO 0.61 0.01 2.09 -0.83 1.20 0.00 0.00 173.24 176.32 2dbf s GLY 4 N 0.70 -0.12 0.13 9.45 0.00 -1.26 -4.78 107.32 111.45 2dbf s GLY 4 Ca 0.20 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 44.07 2dbf s GLY 4 CO 0.07 3.73 0.00 -1.26 0.00 0.00 0.00 173.10 175.64 2dbf n SER 5 N 14.87 -6.97 -3.87 1.64 2.88 -1.26 -4.98 113.62 115.94 2dbf n SER 5 Ca 0.35 0.62 -0.09 0.00 -1.33 0.00 0.00 58.87 58.42 2dbf n SER 5 Cb 0.49 -1.75 -0.07 0.00 -0.75 0.00 0.00 64.21 62.13 2dbf n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dbf s SER 6 N -5.26 0.12 0.37 -3.46 1.04 -1.26 -5.13 113.70 100.11 2dbf s SER 6 Ca 0.00 -0.67 0.02 0.00 0.48 0.00 0.00 55.95 55.78 2dbf s SER 6 Cb 0.00 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.51 2dbf s SER 6 CO 0.00 -0.74 0.35 0.61 0.98 0.00 0.00 173.24 174.44 2dbf n GLY 7 N -0.07 1.33 2.37 7.32 0.00 -1.26 -5.04 105.19 109.84 2dbf n GLY 7 Ca -0.14 -2.08 -0.15 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.85 0.63 -0.08 1.61 9.92 -0.85 -4.89 116.55 120.04 2dbf n ASP 8 Ca 0.06 -2.98 -0.07 0.00 -0.53 0.00 0.00 54.79 51.28 2dbf n ASP 8 Cb 0.23 -0.33 -0.16 0.00 -0.64 0.00 0.00 41.12 40.22 2dbf n ASP 8 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 2dbf n MET 9 N 0.17 0.78 0.19 -1.24 2.81 -1.24 -4.33 117.12 114.27 2dbf n MET 9 Ca 0.19 -0.04 0.08 0.00 -1.81 0.00 0.00 57.70 56.12 2dbf n MET 9 Cb 0.71 -1.50 0.60 0.00 -0.71 0.00 0.00 33.22 32.32 2dbf n MET 9 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 2dbf h LYS 10 N 0.00 0.11 -0.13 0.03 1.57 -1.90 -1.15 116.57 115.09 2dbf h LYS 10 Ca -0.46 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.31 2dbf h LYS 10 Cb 2.03 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 34.31 2dbf h LYS 10 CO 0.02 0.07 0.06 -0.56 -0.57 0.00 0.00 179.45 178.47 2dbf h GLN 11 N 0.11 0.17 -6.98 3.15 3.07 -1.97 -3.43 115.11 109.24 2dbf h GLN 11 Ca 0.05 -0.01 -0.53 0.00 0.09 0.00 0.00 58.65 58.24 2dbf h GLN 11 Cb 0.05 -0.04 0.09 0.00 0.08 0.00 0.00 27.48 27.67 2dbf h GLN 11 CO -0.01 0.14 0.59 -0.51 0.09 0.00 0.00 178.83 179.14 2dbf s LEU 12 N -9.14 4.09 0.34 0.06 1.43 -0.44 -5.02 118.68 110.00 2dbf s LEU 12 Ca -0.06 2.63 -0.04 0.00 -1.03 0.00 0.00 54.13 55.63 2dbf s LEU 12 Cb 0.17 -4.05 -0.05 0.00 0.03 0.00 0.00 46.19 42.29 2dbf s LEU 12 CO 0.69 -1.05 0.61 0.00 0.23 0.00 0.00 176.35 176.83 2dbf s ALA 13 N -1.32 3.58 0.39 4.21 0.00 -1.26 -4.99 121.76 122.37 2dbf s ALA 13 Ca 0.62 -0.58 0.06 0.00 0.00 0.00 0.00 51.96 52.05 2dbf s ALA 13 Cb -0.37 -2.34 0.79 0.00 0.00 0.00 0.00 23.12 21.20 2dbf s ALA 13 CO 0.46 0.09 2.04 1.49 0.00 0.00 0.00 175.76 179.84 2dbf h GLU 14 N 1.26 0.63 -0.08 0.00 4.81 -1.96 -1.11 114.58 118.14 2dbf h GLU 14 Ca -0.48 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 58.65 2dbf h GLU 14 Cb 1.20 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 2dbf h GLU 14 CO 0.64 0.42 -0.26 -0.44 -0.73 0.00 0.00 179.01 178.64 2dbf h ASP 15 N 0.65 0.13 -0.12 1.04 3.32 -1.98 0.42 116.42 119.88 2dbf h ASP 15 Ca 0.19 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.08 2dbf h ASP 15 Cb -0.04 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.48 2dbf h ASP 15 CO -0.04 0.39 -0.39 0.58 -1.72 0.00 0.00 179.24 178.06 2dbf h VAL 16 N 0.12 1.37 0.00 -1.35 2.07 -1.58 -3.24 116.25 113.65 2dbf h VAL 16 Ca 0.02 -1.70 -0.16 0.00 0.82 0.00 0.00 66.70 65.68 2dbf h VAL 16 Cb 0.53 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 2dbf h VAL 16 CO 0.04 0.51 -0.76 0.11 0.02 0.00 0.00 177.57 177.48 2dbf h LYS 17 N 0.06 0.00 -0.29 1.57 1.57 -1.29 -3.21 116.57 114.98 2dbf h LYS 17 Ca -0.02 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2dbf h LYS 17 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 2dbf h LYS 17 CO 0.08 0.76 0.20 -0.07 -0.57 0.00 0.00 179.45 179.86 2dbf h LEU 18 N 0.00 0.08 0.08 2.94 3.38 -0.20 -1.18 115.31 120.41 2dbf h LEU 18 Ca -0.01 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 2dbf h LEU 18 Cb 1.48 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.22 2dbf h LEU 18 CO 0.10 0.05 -1.19 1.56 0.09 0.00 0.00 178.44 179.04 2dbf h GLN 19 N 0.09 0.29 -0.13 1.13 4.20 -1.58 -3.26 115.11 115.85 2dbf h GLN 19 Ca 0.13 -0.46 -0.02 0.00 0.06 0.00 0.00 58.65 58.36 2dbf h GLN 19 Cb 0.42 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 2dbf h GLN 19 CO -0.01 1.20 -0.02 -0.07 -0.67 0.00 0.00 178.83 179.26 2dbf h LEU 20 N 0.10 0.17 -1.18 1.46 3.38 -1.29 -1.63 115.31 116.32 2dbf h LEU 20 Ca -0.13 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2dbf h LEU 20 Cb 1.91 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.60 2dbf h LEU 20 CO 0.20 0.23 -0.34 1.88 0.09 0.00 0.00 178.44 180.50 2dbf h TYR 21 N 0.19 0.13 0.05 1.13 0.05 -1.50 -1.24 116.97 115.79 2dbf h TYR 21 Ca 0.05 -0.03 -0.23 0.00 0.05 0.00 0.00 58.73 58.57 2dbf h TYR 21 Cb 0.17 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.87 2dbf h TYR 21 CO 0.00 0.45 -1.03 0.87 -1.05 0.00 0.00 178.16 177.41 2dbf h LYS 22 N 0.11 0.25 0.14 4.88 1.57 -1.41 -2.80 116.57 119.32 2dbf h LYS 22 Ca 0.01 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 2dbf h LYS 22 Cb 0.66 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2dbf h LYS 22 CO 0.05 1.08 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.87 2dbf h LEU 23 N 0.11 -0.16 -2.05 2.94 3.38 -1.20 -3.22 115.31 115.11 2dbf h LEU 23 Ca -0.08 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.53 2dbf h LEU 23 Cb 1.70 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.49 2dbf h LEU 23 CO 0.16 0.39 0.07 -0.07 0.09 0.00 0.00 178.44 179.07 2dbf h LEU 24 N -0.81 0.00 -2.44 1.67 3.38 -1.36 -0.79 115.31 114.96 2dbf h LEU 24 Ca -0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2dbf h LEU 24 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 2dbf h LEU 24 CO 0.03 0.00 0.08 -0.33 0.09 0.00 0.00 178.44 178.31 2dbf h GLU 25 N 0.00 0.00 -6.52 1.13 4.39 -1.50 -2.56 114.58 109.53 2dbf h GLU 25 Ca 0.04 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.21 2dbf h GLU 25 Cb 0.17 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 28.86 2dbf h GLU 25 CO -0.00 0.00 1.09 -0.89 -1.16 0.00 0.00 179.01 178.05 2dbf n ILE 26 N -3.71 0.32 -1.06 3.13 5.41 -0.30 -4.85 119.36 118.30 2dbf n ILE 26 Ca -0.01 -0.06 -0.32 0.00 1.00 0.00 0.00 62.75 63.36 2dbf n ILE 26 Cb 0.17 -2.09 -0.02 0.00 -0.71 0.00 0.00 39.64 36.99 2dbf n ILE 26 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2dbf n PRO 27 N 5.44 2.84 -4.21 0.38 -0.04 -1.26 -4.00 135.00 134.15 2dbf n PRO 27 Ca 0.18 -1.87 -0.26 0.00 -0.04 0.00 0.00 63.50 61.51 2dbf n PRO 27 Cb 0.37 -2.67 -0.08 0.00 -0.04 0.00 0.00 33.50 31.08 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 2.90 4.78 0.27 3.54 1.11 -1.26 -5.03 116.67 122.98 2dbf s ASP 28 Ca 0.54 -0.41 0.05 0.00 0.18 0.00 0.00 52.55 52.91 2dbf s ASP 28 Cb 0.14 -1.02 0.36 0.00 1.07 0.00 0.00 42.92 43.47 2dbf s ASP 28 CO -0.04 0.08 1.64 1.55 1.18 0.00 0.00 175.17 179.58 2dbf h PRO 29 N 2.60 0.28 -0.28 8.23 0.13 -1.99 -3.10 132.00 137.88 2dbf h PRO 29 Ca -0.47 -0.15 -0.21 0.00 -0.87 0.00 0.00 66.00 64.30 2dbf h PRO 29 Cb 1.21 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.16 2dbf h PRO 29 CO 0.58 0.70 -0.66 -0.25 -0.23 0.00 0.00 178.00 178.14 2dbf n ASP 30 N -3.98 2.80 -1.32 1.44 8.00 -1.26 -4.65 116.55 117.58 2dbf n ASP 30 Ca -0.02 -3.69 -0.06 0.00 0.71 0.00 0.00 54.79 51.74 2dbf n ASP 30 Cb 0.52 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 2dbf n ASP 30 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2dbf n LYS 31 N -0.87 0.25 -4.31 -1.24 5.02 -1.22 -4.03 118.16 111.77 2dbf n LYS 31 Ca 0.27 -1.08 -0.23 0.00 -2.02 0.00 0.00 58.31 55.25 2dbf n LYS 31 Cb 0.82 0.46 -0.08 0.00 -0.02 0.00 0.00 35.03 36.21 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 -1.07 4.36 0.21 4.39 3.84 -1.17 -4.23 114.94 121.27 2dbf s ASN 32 Ca 0.03 -0.77 -0.06 0.00 0.21 0.00 0.00 52.86 52.27 2dbf s ASN 32 Cb 0.09 -0.71 0.18 0.00 -0.55 0.00 0.00 41.25 40.26 2dbf s ASN 32 CO -0.03 -0.06 1.69 4.11 -2.79 0.00 0.00 177.10 180.02 2dbf h TRP 33 N 1.90 1.03 -0.69 0.43 5.08 -1.73 -2.68 115.95 119.28 2dbf h TRP 33 Ca -0.43 -0.17 0.01 0.00 1.08 0.00 0.00 58.89 59.38 2dbf h TRP 33 Cb 1.25 -0.27 -0.04 0.00 -3.00 0.00 0.00 29.16 27.10 2dbf h TRP 33 CO 0.70 0.93 0.45 0.00 -1.28 0.00 0.00 178.44 179.24 2dbf h ALA 34 N 1.10 0.88 -0.49 0.11 0.00 -1.94 -0.37 119.26 118.56 2dbf h ALA 34 Ca 0.16 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 2dbf h ALA 34 Cb 0.53 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2dbf h ALA 34 CO 0.03 0.26 0.04 1.15 0.00 0.00 0.00 179.25 180.74 2dbf h THR 35 N 0.90 1.23 -0.04 0.00 2.02 -1.85 -2.54 112.91 112.64 2dbf h THR 35 Ca 0.26 -0.93 -0.13 0.00 0.77 0.00 0.00 66.41 66.39 2dbf h THR 35 Cb -0.06 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2dbf h THR 35 CO -0.07 0.33 -0.56 0.25 0.37 0.00 0.00 175.52 175.83 2dbf h LEU 36 N 0.75 0.13 -1.39 2.58 5.85 -1.07 -2.98 115.31 119.19 2dbf h LEU 36 Ca 0.15 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2dbf h LEU 36 Cb 0.39 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2dbf h LEU 36 CO 0.01 0.67 0.17 0.00 -0.34 0.00 0.00 178.44 178.95 2dbf h ALA 37 N 1.33 1.52 -0.06 1.25 0.00 -0.65 -0.95 119.26 121.72 2dbf h ALA 37 Ca -0.00 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.56 2dbf h ALA 37 Cb 1.02 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.65 2dbf h ALA 37 CO 0.08 0.37 -0.90 1.96 0.00 0.00 0.00 179.25 180.76 2dbf h GLN 38 N 0.58 0.62 -0.12 0.00 4.20 -1.42 0.25 115.11 119.21 2dbf h GLN 38 Ca 0.14 -0.59 -0.02 0.00 0.06 0.00 0.00 58.65 58.25 2dbf h GLN 38 Cb 0.12 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 2dbf h GLN 38 CO -0.01 1.20 0.01 0.87 -0.67 0.00 0.00 178.83 180.23 2dbf h LYS 39 N 0.38 0.21 0.16 1.46 6.56 -1.31 -3.34 116.57 120.69 2dbf h LYS 39 Ca -0.08 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.44 2dbf h LYS 39 Cb 1.53 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 33.17 2dbf h LYS 39 CO 0.17 0.42 -0.07 -0.07 -2.06 0.00 0.00 179.45 177.84 2dbf h LEU 40 N -0.03 -0.18 0.00 2.94 3.38 -1.26 -3.47 115.31 116.68 2dbf h LEU 40 Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2dbf h LEU 40 Cb 0.32 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2dbf h LEU 40 CO 0.00 -0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.04 2dbf n GLY 41 N -0.45 0.00 1.33 0.83 0.00 -0.89 -5.06 105.19 100.96 2dbf n GLY 41 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 1.69 0.06 0.99 4.77 0.82 -4.84 117.00 120.49 2dbf n LEU 42 Ca 0.00 -2.74 -0.01 0.00 -0.03 0.00 0.00 56.01 53.23 2dbf n LEU 42 Cb 0.00 -0.14 0.28 0.00 -2.33 0.00 0.00 43.42 41.23 2dbf n LEU 42 CO 0.00 0.87 0.80 1.23 -1.33 0.00 0.00 177.39 178.95 2dbf h GLY 43 N 1.15 0.39 2.00 -0.72 0.00 -1.85 -2.30 103.07 101.73 2dbf h GLY 43 Ca -0.13 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 2dbf h GLY 43 CO 0.10 0.27 -0.19 1.19 0.00 0.00 0.00 176.54 177.90 2dbf h ILE 44 N 0.33 1.05 -0.36 2.60 6.09 -1.92 -2.48 117.51 122.82 2dbf h ILE 44 Ca 0.06 -0.67 -0.19 0.00 -1.37 0.00 0.00 64.86 62.68 2dbf h ILE 44 Cb 0.55 1.37 -0.11 0.00 0.47 0.00 0.00 36.82 39.10 2dbf h ILE 44 CO 0.04 0.19 -0.08 0.18 -3.07 0.00 0.00 178.15 175.41 2dbf n LEU 45 N -4.19 4.18 -0.08 2.19 4.77 -0.98 -4.66 117.00 118.23 2dbf n LEU 45 Ca -0.02 -3.80 -0.13 0.00 -0.03 0.00 0.00 56.01 52.03 2dbf n LEU 45 Cb 0.26 -0.64 -0.00 0.00 -2.33 0.00 0.00 43.42 40.70 2dbf n LEU 45 CO 0.36 1.28 0.51 -1.13 -1.33 0.00 0.00 177.39 177.08 2dbf h ASN 46 N 1.00 0.92 0.23 -1.43 -0.73 -0.93 -3.03 115.58 111.60 2dbf h ASN 46 Ca 0.23 -0.44 -0.08 0.00 1.87 0.00 0.00 56.30 57.87 2dbf h ASN 46 Cb 1.69 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 40.00 2dbf h ASN 46 CO 0.40 1.22 -0.33 0.78 -0.37 0.00 0.00 177.43 179.14 2dbf h ASN 47 N 0.68 0.16 -0.68 1.15 2.35 -1.83 -2.77 115.58 114.64 2dbf h ASN 47 Ca 0.04 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2dbf h ASN 47 Cb 1.03 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.33 2dbf h ASN 47 CO 0.10 0.49 0.35 0.00 -1.65 0.00 0.00 177.43 176.73 2dbf h ALA 48 N 1.52 1.30 -0.08 -0.83 0.00 -1.86 -2.37 119.26 116.94 2dbf h ALA 48 Ca 0.02 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 2dbf h ALA 48 Cb 0.66 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2dbf h ALA 48 CO 0.05 0.55 -0.69 0.74 0.00 0.00 0.00 179.25 179.90 2dbf h PHE 49 N 0.99 0.47 -0.80 0.00 0.04 -1.48 -3.00 116.94 113.15 2dbf h PHE 49 Ca 0.25 -0.20 0.01 0.00 2.80 0.00 0.00 57.97 60.82 2dbf h PHE 49 Cb 0.07 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.11 2dbf h PHE 49 CO 0.01 0.93 0.53 -0.09 -0.60 0.00 0.00 178.31 179.09 2dbf h ARG 50 N 0.24 1.05 -0.15 1.51 9.65 -1.20 -2.16 114.38 123.32 2dbf h ARG 50 Ca -0.02 -0.06 -0.16 0.00 -1.10 0.00 0.00 59.98 58.63 2dbf h ARG 50 Cb 1.24 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 29.58 2dbf h ARG 50 CO 0.11 0.70 -0.59 -0.07 2.80 0.00 0.00 179.97 182.93 2dbf h LEU 51 N 1.08 0.56-10.25 3.80 3.38 -1.44 -3.46 115.31 108.99 2dbf h LEU 51 Ca 0.29 -0.31 -0.51 0.00 0.09 0.00 0.00 57.88 57.44 2dbf h LEU 51 Cb -0.12 -0.16 0.20 0.00 0.09 0.00 0.00 40.66 40.67 2dbf h LEU 51 CO -0.06 1.02 0.19 -0.44 0.09 0.00 0.00 178.44 179.24 2dbf s SER 52 N -6.93 2.60 0.35 -0.43 0.01 -0.82 -4.92 113.70 103.56 2dbf s SER 52 Ca -0.07 2.13 0.09 0.00 1.31 0.00 0.00 55.95 59.41 2dbf s SER 52 Cb 0.11 -2.54 0.63 0.00 0.21 0.00 0.00 66.02 64.43 2dbf s SER 52 CO 0.84 -3.30 1.80 1.55 0.41 0.00 0.00 173.24 174.54 2dbf h PRO 53 N -2.00 0.17 -2.67 12.44 0.13 -1.88 -3.37 132.00 134.82 2dbf h PRO 53 Ca -0.45 -0.06 -0.59 0.00 -0.87 0.00 0.00 66.00 64.02 2dbf h PRO 53 Cb 1.28 -0.01 -0.39 0.00 0.13 0.00 0.00 31.00 32.00 2dbf h PRO 53 CO 0.42 0.47 -0.83 0.00 -0.23 0.00 0.00 178.00 177.83 2dbf s ALA 54 N -4.34 1.64 0.48 -0.56 0.00 -1.26 -4.98 121.76 112.74 2dbf s ALA 54 Ca -0.04 -2.40 0.25 0.00 0.00 0.00 0.00 51.96 49.77 2dbf s ALA 54 Cb 0.14 -1.72 1.30 0.00 0.00 0.00 0.00 23.12 22.84 2dbf s ALA 54 CO 0.75 -2.05 1.86 -1.35 0.00 0.00 0.00 175.76 174.96 2dbf h PRO 55 N 6.39 0.18 0.01 0.00 0.11 -1.73 0.30 132.00 137.26 2dbf h PRO 55 Ca 0.11 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 66.01 2dbf h PRO 55 Cb 0.92 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 2dbf h PRO 55 CO 0.39 0.12 -0.91 0.66 -0.21 0.00 0.00 178.00 178.05 2dbf h SER 56 N 0.19 0.12 0.44 -2.05 4.64 -1.92 -1.73 113.55 113.23 2dbf h SER 56 Ca 0.46 -0.10 -0.25 0.00 -0.47 0.00 0.00 61.79 61.42 2dbf h SER 56 Cb 1.51 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 63.57 2dbf h SER 56 CO -0.10 0.96 -1.11 0.50 -0.87 0.00 0.00 176.83 176.22 2dbf h LYS 57 N 0.04 0.37 0.00 4.77 3.64 -0.92 -3.24 116.57 121.24 2dbf h LYS 57 Ca -0.03 -0.50 -0.19 0.00 -1.27 0.00 0.00 60.65 58.67 2dbf h LYS 57 Cb 1.57 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 33.53 2dbf h LYS 57 CO 0.13 1.18 -0.88 1.15 -2.27 0.00 0.00 179.45 178.76 2dbf h THR 58 N 0.17 1.61 -0.07 1.00 2.02 -0.86 -3.11 112.91 113.68 2dbf h THR 58 Ca -0.12 -2.96 0.01 0.00 0.77 0.00 0.00 66.41 64.11 2dbf h THR 58 Cb 1.78 2.61 -0.01 0.00 -1.74 0.00 0.00 68.15 70.79 2dbf h THR 58 CO 0.19 0.85 0.01 0.25 0.37 0.00 0.00 175.52 177.19 2dbf h LEU 59 N 0.01 0.00 -1.29 2.58 5.85 -1.36 -0.41 115.31 120.69 2dbf h LEU 59 Ca -0.02 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 2dbf h LEU 59 Cb 1.55 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 2dbf h LEU 59 CO 0.12 0.01 -0.29 0.24 -0.34 0.00 0.00 178.44 178.18 2dbf h MET 60 N 0.04 0.10 -0.05 1.25 2.86 -1.63 0.88 114.93 118.38 2dbf h MET 60 Ca 0.03 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.52 2dbf h MET 60 Cb 0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 2dbf h MET 60 CO -0.04 0.39 -0.53 -0.44 1.06 0.00 0.00 176.91 177.34 2dbf h ASP 61 N 0.09 0.14 0.42 1.22 3.32 -1.34 -1.88 116.42 118.38 2dbf h ASP 61 Ca 0.01 -0.07 -0.31 0.00 0.02 0.00 0.00 57.03 56.68 2dbf h ASP 61 Cb 0.57 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 2dbf h ASP 61 CO 0.04 0.65 -1.63 0.78 -1.72 0.00 0.00 179.24 177.36 2dbf h ASN 62 N 0.10 0.31 0.08 6.45 2.35 -0.64 -3.27 115.58 120.96 2dbf h ASN 62 Ca -0.00 -0.50 -0.10 0.00 -0.55 0.00 0.00 56.30 55.15 2dbf h ASN 62 Cb 0.97 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 2dbf h ASN 62 CO 0.08 1.43 -0.34 0.22 -1.65 0.00 0.00 177.43 177.16 2dbf h TYR 63 N 0.05 0.42 -0.45 1.19 3.20 -0.81 -1.19 116.97 119.38 2dbf h TYR 63 Ca -0.27 -0.10 -0.11 0.00 3.14 0.00 0.00 58.73 61.38 2dbf h TYR 63 Cb 2.01 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 40.17 2dbf h TYR 63 CO 0.05 0.66 -0.15 1.49 -1.64 0.00 0.00 178.16 178.58 2dbf h GLU 64 N 0.32 0.90 0.00 1.82 4.81 -1.46 0.30 114.58 121.26 2dbf h GLU 64 Ca 0.04 -0.36 -0.10 0.00 -0.13 0.00 0.00 59.36 58.81 2dbf h GLU 64 Cb 0.75 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 2dbf h GLU 64 CO 0.06 1.01 -0.47 0.28 -0.73 0.00 0.00 179.01 179.16 2dbf h VAL 65 N 0.74 0.94 -0.84 0.32 2.07 -1.58 -3.00 116.25 114.90 2dbf h VAL 65 Ca 0.11 -1.90 -0.48 0.00 0.82 0.00 0.00 66.70 65.25 2dbf h VAL 65 Cb 0.70 2.16 -0.25 0.00 -1.52 0.00 0.00 31.29 32.38 2dbf h VAL 65 CO 0.05 0.46 0.62 -0.24 0.02 0.00 0.00 177.57 178.48 2dbf n SER 66 N -3.42 4.91 -1.47 0.57 2.88 -0.46 -4.85 113.62 111.78 2dbf n SER 66 Ca 0.01 -3.43 0.00 0.00 -1.33 0.00 0.00 58.87 54.12 2dbf n SER 66 Cb 0.62 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 63.22 2dbf n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbf n GLY 67 N -0.76 0.39 3.70 0.46 0.00 -1.14 -4.96 105.19 102.87 2dbf n GLY 67 Ca 0.51 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.55 2.32 0.14 -0.02 0.00 0.10 -4.87 107.32 102.44 2dbf s GLY 68 Ca 0.00 0.65 0.06 0.00 0.00 0.00 0.00 44.72 45.43 2dbf s GLY 68 CO 0.00 2.07 -0.13 -0.51 0.00 0.00 0.00 173.10 174.53 2dbf s THR 69 N 1.72 1.33 0.01 0.90 -4.23 -1.26 -2.00 115.64 112.10 2dbf s THR 69 Ca 0.55 -1.86 0.06 0.00 -1.18 0.00 0.00 61.69 59.27 2dbf s THR 69 Cb -0.25 -1.66 -0.24 0.00 1.34 0.00 0.00 72.50 71.69 2dbf s THR 69 CO 0.24 -0.52 0.86 0.58 -0.54 0.00 0.00 174.62 175.24 2dbf h VAL 70 N 3.23 1.14 -0.18 2.29 2.07 -1.97 -3.24 116.25 119.59 2dbf h VAL 70 Ca -0.39 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.24 2dbf h VAL 70 Cb 1.20 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 33.58 2dbf h VAL 70 CO 0.55 0.73 0.12 0.03 0.02 0.00 0.00 177.57 179.02 2dbf h ARG 71 N 0.02 0.24 0.08 1.57 2.47 -1.96 -1.34 114.38 115.46 2dbf h ARG 71 Ca -0.21 -0.01 -0.26 0.00 -1.26 0.00 0.00 59.98 58.24 2dbf h ARG 71 Cb 1.95 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 30.21 2dbf h ARG 71 CO 0.12 0.16 -1.20 0.93 0.56 0.00 0.00 179.97 180.54 2dbf h GLU 72 N 0.25 0.18 -0.20 0.04 4.39 -2.00 -3.03 114.58 114.21 2dbf h GLU 72 Ca 0.07 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.43 2dbf h GLU 72 Cb -0.03 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2dbf h GLU 72 CO -0.01 1.13 0.01 1.25 -1.16 0.00 0.00 179.01 180.22 2dbf h LEU 73 N 0.05 0.34 -1.33 1.33 5.85 -1.37 0.14 115.31 120.33 2dbf h LEU 73 Ca -0.11 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 2dbf h LEU 73 Cb 1.91 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 2dbf h LEU 73 CO 0.17 0.55 -0.24 0.58 -0.34 0.00 0.00 178.44 179.16 2dbf h VAL 74 N 0.12 1.21 0.03 1.05 2.07 -1.39 -1.82 116.25 117.51 2dbf h VAL 74 Ca 0.06 -0.99 -0.14 0.00 0.82 0.00 0.00 66.70 66.45 2dbf h VAL 74 Cb 0.37 1.41 0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2dbf h VAL 74 CO 0.01 0.30 -0.56 -0.33 0.02 0.00 0.00 177.57 177.00 2dbf h GLU 75 N 0.14 0.34 -0.47 1.57 5.08 -1.38 -2.87 114.58 116.99 2dbf h GLU 75 Ca 0.02 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 2dbf h GLU 75 Cb 0.50 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 2dbf h GLU 75 CO 0.03 1.09 0.23 0.00 -1.00 0.00 0.00 179.01 179.37 2dbf h ALA 76 N 0.26 1.53 -0.07 3.43 0.00 -0.59 -0.22 119.26 123.61 2dbf h ALA 76 Ca -0.08 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 2dbf h ALA 76 Cb 1.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2dbf h ALA 76 CO 0.11 0.38 -0.58 -0.07 0.00 0.00 0.00 179.25 179.09 2dbf h LEU 77 N 0.65 0.23 -0.19 0.00 3.38 -1.39 -2.37 115.31 115.63 2dbf h LEU 77 Ca 0.16 -0.13 -0.20 0.00 0.09 0.00 0.00 57.88 57.81 2dbf h LEU 77 Cb 0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2dbf h LEU 77 CO -0.02 0.76 -0.93 -0.09 0.09 0.00 0.00 178.44 178.25 2dbf h ARG 78 N 0.16 0.08 -0.11 1.13 2.43 -1.12 0.61 114.38 117.57 2dbf h ARG 78 Ca -0.00 -0.11 -0.18 0.00 -0.81 0.00 0.00 59.98 58.88 2dbf h ARG 78 Cb 1.06 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2dbf h ARG 78 CO 0.09 0.95 -0.67 1.96 -1.51 0.00 0.00 179.97 180.79 2dbf h GLN 79 N 0.04 0.45 0.00 0.20 4.20 -0.97 -3.35 115.11 115.69 2dbf h GLN 79 Ca -0.03 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.33 2dbf h GLN 79 Cb 1.60 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 29.44 2dbf h GLN 79 CO 0.13 0.96 -0.06 0.52 -0.67 0.00 0.00 178.83 179.71 2dbf h MET 80 N 0.32 0.00 0.00 1.46 2.86 -1.46 -3.49 114.93 114.62 2dbf h MET 80 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2dbf h MET 80 Cb 1.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.89 2dbf h MET 80 CO 0.12 0.24 0.00 0.41 1.06 0.00 0.00 176.91 178.74 2dbf n GLY 81 N 1.72 0.00 3.58 8.32 0.00 -0.49 -4.84 105.19 113.49 2dbf n GLY 81 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 3.17 -0.05 1.61 2.02 0.20 -4.94 117.35 119.37 2dbf s TYR 82 Ca 0.00 -0.06 0.01 0.00 -0.37 0.00 0.00 57.07 56.64 2dbf s TYR 82 Cb 0.00 -2.04 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 2dbf s TYR 82 CO 0.00 0.08 -0.04 2.41 -1.57 0.00 0.00 175.55 176.44 2dbf n THR 83 N 3.55 0.26 0.08 -0.71 -1.04 -1.26 -4.48 114.28 110.69 2dbf n THR 83 Ca -0.17 -0.10 -0.08 0.00 -2.04 0.00 0.00 64.05 61.65 2dbf n THR 83 Cb 0.52 -0.68 -0.06 0.00 -1.82 0.00 0.00 70.33 68.29 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 0.11 -0.32 -2.82 4.81 -2.00 -3.05 114.58 111.32 2dbf h GLU 84 Ca -0.10 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 58.85 2dbf h GLU 84 Cb 1.16 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2dbf h GLU 84 CO -0.01 0.98 -0.31 0.00 -0.73 0.00 0.00 179.01 178.94 2dbf h ALA 85 N 0.96 0.86 -0.08 2.92 0.00 -1.98 -2.85 119.26 119.08 2dbf h ALA 85 Ca -0.04 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 2dbf h ALA 85 Cb 1.65 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 2dbf h ALA 85 CO 0.14 0.63 -0.54 0.82 0.00 0.00 0.00 179.25 180.30 2dbf h ILE 86 N 0.59 1.37 -0.64 0.00 2.04 -1.78 -3.10 117.51 115.98 2dbf h ILE 86 Ca 0.07 -1.84 -0.09 0.00 1.00 0.00 0.00 64.86 64.00 2dbf h ILE 86 Cb 0.81 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 2dbf h ILE 86 CO 0.07 0.54 0.06 -0.33 0.00 0.00 0.00 178.15 178.49 2dbf h GLU 87 N 0.17 1.08 -0.65 2.37 4.39 -1.40 0.03 114.58 120.57 2dbf h GLU 87 Ca 0.00 -0.32 -0.00 0.00 0.34 0.00 0.00 59.36 59.38 2dbf h GLU 87 Cb 1.01 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.52 2dbf h GLU 87 CO 0.08 1.02 0.38 0.28 -1.16 0.00 0.00 179.01 179.62 2dbf h VAL 88 N 1.00 1.18 0.12 3.13 2.07 -1.43 0.27 116.25 122.58 2dbf h VAL 88 Ca 0.19 -0.41 -0.22 0.00 0.82 0.00 0.00 66.70 67.07 2dbf h VAL 88 Cb 0.49 0.28 0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2dbf h VAL 88 CO 0.02 0.19 -0.93 0.40 0.02 0.00 0.00 177.57 177.28 2dbf h ILE 89 N 0.89 1.42 -0.10 4.57 2.04 -1.47 -3.14 117.51 121.73 2dbf h ILE 89 Ca 0.23 -2.44 -0.07 0.00 1.00 0.00 0.00 64.86 63.58 2dbf h ILE 89 Cb -0.03 2.96 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 2dbf h ILE 89 CO -0.04 0.71 -0.27 1.56 0.00 0.00 0.00 178.15 180.10 2dbf h GLN 90 N -0.13 0.17 -0.34 2.37 4.20 -0.76 0.53 115.11 121.16 2dbf h GLN 90 Ca -0.15 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.39 2dbf h GLN 90 Cb 1.69 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.44 2dbf h GLN 90 CO 0.18 0.44 -0.24 0.00 -0.67 0.00 0.00 178.83 178.54 2dbf h ALA 91 N 1.57 0.96 0.11 3.87 0.00 -0.54 -3.23 119.26 122.00 2dbf h ALA 91 Ca 0.02 -0.36 -0.34 0.00 0.00 0.00 0.00 54.91 54.23 2dbf h ALA 91 Cb 0.57 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2dbf h ALA 91 CO 0.04 0.61 -1.85 0.00 0.00 0.00 0.00 179.25 178.04 2dbf h ALA 92 N 1.16 0.44 -3.33 0.00 0.00 -1.43 -3.45 119.26 112.65 2dbf h ALA 92 Ca 0.08 -1.34 -0.55 0.00 0.00 0.00 0.00 54.91 53.10 2dbf h ALA 92 Cb 0.71 0.58 -0.38 0.00 0.00 0.00 0.00 17.79 18.70 2dbf h ALA 92 CO 0.05 1.30 -0.79 -1.54 0.00 0.00 0.00 179.25 178.28 2dbf s SER 93 N -6.90 2.84 -1.26 0.00 1.04 0.18 -5.05 113.70 104.56 2dbf s SER 93 Ca -0.17 -0.67 -0.18 0.00 0.48 0.00 0.00 55.95 55.41 2dbf s SER 93 Cb 0.07 -0.90 0.01 0.00 0.10 0.00 0.00 66.02 65.29 2dbf s SER 93 CO 0.80 -0.19 1.93 -1.54 0.98 0.00 0.00 173.24 175.22 2dbf n SER 94 N 4.88 4.03 -2.63 7.02 3.41 -1.24 -3.82 113.62 125.27 2dbf n SER 94 Ca -0.12 -2.83 -0.04 0.00 -0.26 0.00 0.00 58.87 55.62 2dbf n SER 94 Cb 0.48 -1.65 -0.04 0.00 -0.26 0.00 0.00 64.21 62.74 2dbf n SER 94 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dbf n SER 95 N 8.74 -2.19 0.00 4.04 2.88 -1.26 -4.63 113.62 121.21 2dbf n SER 95 Ca 0.49 1.38 0.00 0.00 -1.33 0.00 0.00 58.87 59.41 2dbf n SER 95 Cb 0.44 -5.29 0.00 0.00 -0.75 0.00 0.00 64.21 58.60 2dbf n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbf n GLY 96 N 1.48 1.01 3.62 0.46 0.00 -1.26 -4.53 105.19 105.97 2dbf n GLY 96 Ca -0.33 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.58 2dbf n GLY 96 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbf s PRO 97 N 0.00 3.73 -0.10 1.61 0.04 -1.26 -4.89 135.00 134.13 2dbf s PRO 97 Ca 0.00 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 62.30 2dbf s PRO 97 Cb 0.00 -4.05 0.09 0.00 0.04 0.00 0.00 34.50 30.58 2dbf s PRO 97 CO 0.00 -1.38 0.80 -1.12 0.04 0.00 0.00 177.00 175.34 2dbf s SER 98 N 4.38 -0.56 -0.52 6.66 0.01 -1.26 -5.02 113.70 117.39 2dbf s SER 98 Ca 0.71 0.64 0.07 0.00 1.31 0.00 0.00 55.95 58.68 2dbf s SER 98 Cb -0.23 0.49 0.19 0.00 0.21 0.00 0.00 66.02 66.68 2dbf s SER 98 CO 0.30 -0.50 0.73 -0.44 0.41 0.00 0.00 173.24 173.74 2dbf s SER 99 N -1.09 -1.44 0.00 2.44 0.01 -1.26 -4.56 113.70 107.80 2dbf s SER 99 Ca -0.07 -1.73 0.28 0.00 1.31 0.00 0.00 55.95 55.75 2dbf s SER 99 Cb -0.00 1.89 1.69 0.00 0.21 0.00 0.00 66.02 69.81 2dbf s SER 99 CO 0.07 -0.05 2.03 0.61 0.41 0.00 0.00 173.24 176.31