#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 0.00 -4.74 1.61 2.88 -1.26 -5.10 113.62 107.01 2dbf n SER 2 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 2dbf n SER 2 Cb 0.00 0.16 -0.02 0.00 -0.75 0.00 0.00 64.21 63.60 2dbf n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dbf s SER 3 N -3.25 6.35 -0.41 -3.46 1.04 -1.26 -4.94 113.70 107.76 2dbf s SER 3 Ca 0.00 2.95 0.11 0.00 0.48 0.00 0.00 55.95 59.49 2dbf s SER 3 Cb 0.00 -2.63 0.40 0.00 0.10 0.00 0.00 66.02 63.89 2dbf s SER 3 CO 0.00 -0.95 0.92 0.61 0.98 0.00 0.00 173.24 174.81 2dbf n GLY 4 N 2.70 3.93 3.07 7.32 0.00 -1.26 -5.04 105.19 115.91 2dbf n GLY 4 Ca 0.11 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.09 3.59 -0.04 1.61 0.01 -1.26 -5.05 113.70 109.46 2dbf s SER 5 Ca 0.40 -0.94 -0.31 0.00 1.31 0.00 0.00 55.95 56.42 2dbf s SER 5 Cb 0.38 -1.43 0.07 0.00 0.21 0.00 0.00 66.02 65.25 2dbf s SER 5 CO -0.08 -0.10 0.69 -0.55 0.41 0.00 0.00 173.24 173.61 2dbf s SER 6 N 1.26 -0.65 0.00 2.44 0.15 -1.26 -5.13 113.70 110.51 2dbf s SER 6 Ca -0.01 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.31 2dbf s SER 6 Cb -0.16 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2dbf s SER 6 CO -0.09 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.34 2dbf n GLY 7 N 0.83 -2.17 2.57 9.45 0.00 -1.26 -4.56 105.19 110.05 2dbf n GLY 7 Ca -0.19 -1.51 -0.18 0.00 0.00 0.00 0.00 46.02 44.14 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 0.46 2.82 -0.10 1.61 9.92 -1.24 -4.81 116.55 125.21 2dbf n ASP 8 Ca 0.00 -3.20 -0.10 0.00 -0.53 0.00 0.00 54.79 50.96 2dbf n ASP 8 Cb 0.00 -0.52 -0.16 0.00 -0.64 0.00 0.00 41.12 39.80 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 -0.19 0.69 0.03 -1.24 2.81 -1.26 -4.33 117.12 113.63 2dbf n MET 9 Ca 0.24 0.01 0.08 0.00 -1.81 0.00 0.00 57.70 56.22 2dbf n MET 9 Cb 0.70 -1.53 0.51 0.00 -0.71 0.00 0.00 33.22 32.19 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 0.35 -0.10 0.03 6.56 -1.91 -0.81 116.57 120.69 2dbf h LYS 10 Ca -0.54 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.03 2dbf h LYS 10 Cb 2.22 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 33.79 2dbf h LYS 10 CO 0.03 0.23 0.06 -0.56 -2.06 0.00 0.00 179.45 177.15 2dbf h GLN 11 N 0.36 0.14 -6.85 3.15 3.07 -1.95 -3.42 115.11 109.60 2dbf h GLN 11 Ca 0.16 -0.01 -0.51 0.00 0.09 0.00 0.00 58.65 58.38 2dbf h GLN 11 Cb 0.20 -0.03 0.04 0.00 0.08 0.00 0.00 27.48 27.77 2dbf h GLN 11 CO -0.04 0.10 0.53 -0.51 0.09 0.00 0.00 178.83 179.00 2dbf s LEU 12 N -9.16 4.46 0.41 0.06 1.43 -0.31 -4.97 118.68 110.60 2dbf s LEU 12 Ca -0.06 2.41 -0.13 0.00 -1.03 0.00 0.00 54.13 55.32 2dbf s LEU 12 Cb 0.17 -3.69 -0.08 0.00 0.03 0.00 0.00 46.19 42.62 2dbf s LEU 12 CO 0.69 -0.34 0.81 0.00 0.23 0.00 0.00 176.35 177.74 2dbf s ALA 13 N -1.20 3.27 0.46 4.21 0.00 -1.26 -4.96 121.76 122.28 2dbf s ALA 13 Ca 0.48 -0.04 0.13 0.00 0.00 0.00 0.00 51.96 52.53 2dbf s ALA 13 Cb -0.34 -2.82 1.08 0.00 0.00 0.00 0.00 23.12 21.03 2dbf s ALA 13 CO 0.44 0.04 2.07 1.05 0.00 0.00 0.00 175.76 179.36 2dbf h GLU 14 N 1.47 0.29 -0.13 0.00 4.11 -1.95 -0.70 114.58 117.67 2dbf h GLU 14 Ca -0.47 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 58.91 2dbf h GLU 14 Cb 1.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2dbf h GLU 14 CO 0.64 0.19 -0.06 -0.44 0.07 0.00 0.00 179.01 179.40 2dbf h ASP 15 N 0.29 0.17 -0.16 3.06 5.19 -1.98 0.41 116.42 123.41 2dbf h ASP 15 Ca 0.14 -0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.47 2dbf h ASP 15 Cb 0.18 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 2dbf h ASP 15 CO -0.03 0.27 -0.12 0.58 -3.12 0.00 0.00 179.24 176.82 2dbf h VAL 16 N 0.19 1.33 0.00 -1.35 2.07 -1.48 -3.17 116.25 113.84 2dbf h VAL 16 Ca 0.04 -1.23 -0.11 0.00 0.82 0.00 0.00 66.70 66.22 2dbf h VAL 16 Cb 0.24 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 2dbf h VAL 16 CO 0.01 0.37 -0.53 0.11 0.02 0.00 0.00 177.57 177.55 2dbf h LYS 17 N 0.02 0.00 -0.46 1.57 6.56 -1.39 -3.21 116.57 119.65 2dbf h LYS 17 Ca 0.03 0.00 0.10 0.00 -1.06 0.00 0.00 60.65 59.72 2dbf h LYS 17 Cb 0.63 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.27 2dbf h LYS 17 CO 0.03 0.53 0.32 -0.07 -2.06 0.00 0.00 179.45 178.20 2dbf h LEU 18 N 0.00 0.15 -0.21 2.94 3.38 -0.15 -0.09 115.31 121.33 2dbf h LEU 18 Ca -0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 2dbf h LEU 18 Cb 1.29 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 2dbf h LEU 18 CO 0.07 0.09 -0.91 1.56 0.09 0.00 0.00 178.44 179.34 2dbf h GLN 19 N 0.17 0.05 -0.04 1.13 4.20 -1.58 -3.20 115.11 115.84 2dbf h GLN 19 Ca 0.21 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.85 2dbf h GLN 19 Cb 0.63 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 2dbf h GLN 19 CO -0.03 0.92 -0.03 -0.07 -0.67 0.00 0.00 178.83 178.94 2dbf h LEU 20 N 0.02 0.04 -1.37 1.46 3.38 -1.12 -1.40 115.31 116.33 2dbf h LEU 20 Ca -0.02 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2dbf h LEU 20 Cb 1.59 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 2dbf h LEU 20 CO 0.12 0.09 -0.27 1.88 0.09 0.00 0.00 178.44 180.35 2dbf h TYR 21 N 0.05 0.08 -0.04 1.13 0.05 -1.52 -1.72 116.97 115.00 2dbf h TYR 21 Ca 0.01 -0.01 -0.25 0.00 0.05 0.00 0.00 58.73 58.53 2dbf h TYR 21 Cb 0.09 -0.02 0.02 0.00 1.01 0.00 0.00 36.73 37.83 2dbf h TYR 21 CO 0.00 0.34 -0.95 0.87 -1.05 0.00 0.00 178.16 177.37 2dbf h LYS 22 N 0.07 0.70 0.46 4.88 6.56 -1.40 -2.65 116.57 125.19 2dbf h LYS 22 Ca 0.01 -0.71 -0.02 0.00 -1.06 0.00 0.00 60.65 58.87 2dbf h LYS 22 Cb 0.51 0.19 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 2dbf h LYS 22 CO 0.04 1.29 -0.22 -0.07 -2.06 0.00 0.00 179.45 178.43 2dbf h LEU 23 N 0.39 -0.52 -2.24 2.94 3.38 -1.28 -2.98 115.31 114.99 2dbf h LEU 23 Ca -0.11 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.81 2dbf h LEU 23 Cb 1.60 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.48 2dbf h LEU 23 CO 0.19 -0.17 0.12 -0.07 0.09 0.00 0.00 178.44 178.59 2dbf h LEU 24 N -0.91 0.00 -2.21 1.67 3.38 -1.45 -1.00 115.31 114.79 2dbf h LEU 24 Ca -0.06 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.96 2dbf h LEU 24 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2dbf h LEU 24 CO 0.10 0.00 0.20 -0.08 0.09 0.00 0.00 178.44 178.75 2dbf h GLU 25 N 0.00 0.00 -6.24 1.13 4.81 -1.30 -2.28 114.58 110.70 2dbf h GLU 25 Ca 0.06 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.74 2dbf h GLU 25 Cb 0.29 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.68 2dbf h GLU 25 CO -0.00 0.00 1.28 0.42 -0.73 0.00 0.00 179.01 179.98 2dbf s ILE 26 N -4.67 3.14 -1.10 2.32 1.01 -0.38 -4.86 121.20 116.66 2dbf s ILE 26 Ca -0.05 0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.67 2dbf s ILE 26 Cb 0.15 -3.13 -0.07 0.00 0.01 0.00 0.00 42.46 39.43 2dbf s ILE 26 CO 0.56 -0.04 2.30 -0.81 0.00 0.00 0.00 174.94 176.95 2dbf n PRO 27 N 7.87 2.45 -4.28 2.79 -0.04 -1.26 -3.54 135.00 138.99 2dbf n PRO 27 Ca 0.22 -1.75 -0.27 0.00 -0.04 0.00 0.00 63.50 61.66 2dbf n PRO 27 Cb 0.43 -2.64 -0.10 0.00 -0.04 0.00 0.00 33.50 31.15 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 3.29 4.25 0.48 3.54 1.01 -1.26 -5.00 116.67 122.98 2dbf s ASP 28 Ca 0.49 -0.55 0.24 0.00 0.71 0.00 0.00 52.55 53.44 2dbf s ASP 28 Cb 0.13 -0.73 1.22 0.00 1.01 0.00 0.00 42.92 44.56 2dbf s ASP 28 CO -0.03 0.12 1.99 1.55 0.21 0.00 0.00 175.17 179.01 2dbf h PRO 29 N 3.08 0.00 -0.02 8.23 0.13 -1.99 -2.83 132.00 138.60 2dbf h PRO 29 Ca -0.47 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 2dbf h PRO 29 Cb 1.20 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 2dbf h PRO 29 CO 0.53 0.18 -0.64 -0.25 -0.23 0.00 0.00 178.00 177.59 2dbf n ASP 30 N -3.72 1.62 -2.40 1.44 9.92 -1.26 -4.72 116.55 117.43 2dbf n ASP 30 Ca -0.02 -3.43 -0.02 0.00 -0.53 0.00 0.00 54.79 50.80 2dbf n ASP 30 Cb 0.29 -0.47 0.10 0.00 -0.64 0.00 0.00 41.12 40.40 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 -0.71 1.08 -4.47 -1.24 5.02 -1.13 -4.52 118.16 112.19 2dbf n LYS 31 Ca 0.16 -1.00 -0.24 0.00 -2.02 0.00 0.00 58.31 55.22 2dbf n LYS 31 Cb 0.81 0.36 -0.10 0.00 -0.02 0.00 0.00 35.03 36.08 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 -0.93 3.46 0.20 4.39 3.84 -1.08 -3.95 114.94 120.86 2dbf s ASN 32 Ca 0.07 -1.07 -0.10 0.00 0.21 0.00 0.00 52.86 51.98 2dbf s ASN 32 Cb 0.36 -0.28 0.13 0.00 -0.55 0.00 0.00 41.25 40.90 2dbf s ASN 32 CO -0.10 -0.04 1.77 4.11 -2.79 0.00 0.00 177.10 180.05 2dbf h TRP 33 N 2.26 1.07 -0.19 0.43 5.08 -1.67 -2.27 115.95 120.66 2dbf h TRP 33 Ca -0.40 -0.07 0.02 0.00 1.08 0.00 0.00 58.89 59.52 2dbf h TRP 33 Cb 1.25 -0.32 -0.01 0.00 -3.00 0.00 0.00 29.16 27.08 2dbf h TRP 33 CO 0.79 0.81 0.13 0.00 -1.28 0.00 0.00 178.44 178.88 2dbf h ALA 34 N 1.15 1.96 -0.25 0.11 0.00 -1.95 -1.48 119.26 118.81 2dbf h ALA 34 Ca 0.24 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 2dbf h ALA 34 Cb 0.17 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2dbf h ALA 34 CO -0.03 0.02 -0.55 1.15 0.00 0.00 0.00 179.25 179.84 2dbf h THR 35 N 0.18 1.29 -0.23 0.00 2.02 -1.76 -3.09 112.91 111.32 2dbf h THR 35 Ca 0.08 -1.76 -0.13 0.00 0.77 0.00 0.00 66.41 65.36 2dbf h THR 35 Cb 0.09 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2dbf h THR 35 CO -0.01 0.56 -0.42 0.25 0.37 0.00 0.00 175.52 176.27 2dbf h LEU 36 N 0.57 0.59 -1.69 2.58 5.85 -1.08 -2.90 115.31 119.23 2dbf h LEU 36 Ca 0.01 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 2dbf h LEU 36 Cb 1.13 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 2dbf h LEU 36 CO 0.11 0.93 0.01 0.00 -0.34 0.00 0.00 178.44 179.16 2dbf h ALA 37 N 1.09 1.75 0.00 1.25 0.00 -1.26 0.24 119.26 122.33 2dbf h ALA 37 Ca 0.04 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2dbf h ALA 37 Cb 0.92 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2dbf h ALA 37 CO 0.08 0.19 -0.69 1.96 0.00 0.00 0.00 179.25 180.80 2dbf h GLN 38 N 0.20 0.00 0.18 0.00 4.20 -1.43 0.91 115.11 119.16 2dbf h GLN 38 Ca 0.05 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.43 2dbf h GLN 38 Cb 0.13 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.92 2dbf h GLN 38 CO 0.00 0.69 -1.61 0.87 -0.67 0.00 0.00 178.83 178.11 2dbf h LYS 39 N 0.00 0.38 -0.21 1.46 6.56 -1.22 -3.35 116.57 120.20 2dbf h LYS 39 Ca -0.01 -0.65 -0.12 0.00 -1.06 0.00 0.00 60.65 58.82 2dbf h LYS 39 Cb 1.24 0.24 -0.01 0.00 -0.57 0.00 0.00 32.23 33.13 2dbf h LYS 39 CO 0.09 1.31 -0.36 -0.07 -2.06 0.00 0.00 179.45 178.36 2dbf h LEU 40 N 0.01 0.47 0.00 2.94 3.38 -0.62 -3.47 115.31 118.02 2dbf h LEU 40 Ca -0.32 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2dbf h LEU 40 Cb 2.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.64 2dbf h LEU 40 CO 0.17 0.80 0.00 0.61 0.09 0.00 0.00 178.44 180.10 2dbf n GLY 41 N -0.16 1.85 0.61 0.83 0.00 -0.63 -5.03 105.19 102.66 2dbf n GLY 41 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 2.61 0.18 0.99 4.77 0.30 -4.73 117.00 121.13 2dbf n LEU 42 Ca 0.00 -3.78 0.05 0.00 -0.03 0.00 0.00 56.01 52.25 2dbf n LEU 42 Cb 0.00 -0.50 0.34 0.00 -2.33 0.00 0.00 43.42 40.93 2dbf n LEU 42 CO 0.00 1.33 0.67 1.23 -1.33 0.00 0.00 177.39 179.29 2dbf h GLY 43 N 0.94 0.00 2.00 -0.72 0.00 -1.59 -2.93 103.07 100.76 2dbf h GLY 43 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2dbf h GLY 43 CO 0.00 0.00 -0.22 1.19 0.00 0.00 0.00 176.54 177.52 2dbf h ILE 44 N 0.00 1.02 -0.80 2.60 6.09 -1.88 -2.48 117.51 122.05 2dbf h ILE 44 Ca -0.00 -0.77 -0.48 0.00 -1.37 0.00 0.00 64.86 62.23 2dbf h ILE 44 Cb 0.87 1.43 -0.27 0.00 0.47 0.00 0.00 36.82 39.32 2dbf h ILE 44 CO 0.05 0.21 0.35 0.18 -3.07 0.00 0.00 178.15 175.88 2dbf n LEU 45 N -4.08 6.15 0.09 2.19 4.77 -1.11 -4.67 117.00 120.33 2dbf n LEU 45 Ca -0.02 -4.00 -0.13 0.00 -0.03 0.00 0.00 56.01 51.83 2dbf n LEU 45 Cb 0.29 -0.77 -0.08 0.00 -2.33 0.00 0.00 43.42 40.53 2dbf n LEU 45 CO 0.35 1.36 0.76 -1.13 -1.33 0.00 0.00 177.39 177.41 2dbf h ASN 46 N 1.44 -0.15 -0.08 -1.43 -0.73 -1.49 -2.60 115.58 110.54 2dbf h ASN 46 Ca 0.49 -0.10 0.01 0.00 1.87 0.00 0.00 56.30 58.57 2dbf h ASN 46 Cb 1.78 0.04 -0.00 0.00 0.27 0.00 0.00 38.32 40.41 2dbf h ASN 46 CO 1.03 0.01 0.05 -0.55 -0.37 0.00 0.00 177.43 177.60 2dbf h ASN 47 N -0.30 0.05 -0.17 1.15 7.08 -1.85 -0.98 115.58 120.57 2dbf h ASN 47 Ca -0.02 -0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.17 2dbf h ASN 47 Cb 0.24 -0.01 -0.01 0.00 -2.08 0.00 0.00 38.32 36.45 2dbf h ASN 47 CO 0.03 0.04 0.03 0.00 -2.08 0.00 0.00 177.43 175.44 2dbf h ALA 48 N 1.96 1.58 0.07 4.14 0.00 -1.81 -2.41 119.26 122.79 2dbf h ALA 48 Ca 0.03 -0.13 -0.30 0.00 0.00 0.00 0.00 54.91 54.51 2dbf h ALA 48 Cb 0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2dbf h ALA 48 CO -0.00 0.32 -1.58 0.74 0.00 0.00 0.00 179.25 178.72 2dbf h PHE 49 N 0.37 0.29 -0.13 0.00 0.04 -1.08 -3.33 116.94 113.09 2dbf h PHE 49 Ca 0.09 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.65 2dbf h PHE 49 Cb 0.20 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2dbf h PHE 49 CO 0.01 1.29 0.08 -0.09 -0.60 0.00 0.00 178.31 179.00 2dbf h ARG 50 N 0.04 0.17 -0.20 1.51 2.43 -0.97 -1.67 114.38 115.70 2dbf h ARG 50 Ca -0.25 -0.01 -0.15 0.00 -0.81 0.00 0.00 59.98 58.76 2dbf h ARG 50 Cb 1.99 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.49 2dbf h ARG 50 CO 0.13 0.12 -0.49 -0.07 -1.51 0.00 0.00 179.97 178.15 2dbf h LEU 51 N 0.18 0.59-10.13 3.80 3.38 -1.55 -3.45 115.31 108.13 2dbf h LEU 51 Ca 0.05 -0.29 -0.50 0.00 0.09 0.00 0.00 57.88 57.23 2dbf h LEU 51 Cb -0.01 -0.17 0.08 0.00 0.09 0.00 0.00 40.66 40.65 2dbf h LEU 51 CO -0.01 0.98 0.41 -0.44 0.09 0.00 0.00 178.44 179.47 2dbf s SER 52 N -6.89 5.60 0.21 -0.43 0.01 -0.63 -4.95 113.70 106.62 2dbf s SER 52 Ca -0.07 2.08 -0.10 0.00 1.31 0.00 0.00 55.95 59.17 2dbf s SER 52 Cb 0.12 -2.57 0.28 0.00 0.21 0.00 0.00 66.02 64.06 2dbf s SER 52 CO 0.83 -1.30 1.71 -0.65 0.41 0.00 0.00 173.24 174.24 2dbf h PRO 53 N 0.84 0.26 -3.22 12.44 0.11 -1.86 -3.31 132.00 137.26 2dbf h PRO 53 Ca -0.49 -0.02 -0.63 0.00 0.11 0.00 0.00 66.00 64.98 2dbf h PRO 53 Cb 1.25 -0.06 -0.41 0.00 0.11 0.00 0.00 31.00 31.89 2dbf h PRO 53 CO 0.56 0.17 -0.63 0.00 -0.21 0.00 0.00 178.00 177.89 2dbf s ALA 54 N -6.11 3.29 0.57 -0.75 0.00 -1.26 -4.95 121.76 112.54 2dbf s ALA 54 Ca -0.13 -3.35 0.30 0.00 0.00 0.00 0.00 51.96 48.78 2dbf s ALA 54 Cb 0.17 -2.12 1.46 0.00 0.00 0.00 0.00 23.12 22.63 2dbf s ALA 54 CO 0.74 -2.05 1.87 -1.35 0.00 0.00 0.00 175.76 174.98 2dbf h PRO 55 N 6.17 0.00 -0.23 0.00 0.11 -1.65 0.18 132.00 136.58 2dbf h PRO 55 Ca 0.00 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 2dbf h PRO 55 Cb 0.85 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 2dbf h PRO 55 CO 0.67 0.00 -0.52 0.77 -0.21 0.00 0.00 178.00 178.71 2dbf h SER 56 N 0.00 0.71 -0.05 -2.05 0.02 -1.92 -2.09 113.55 108.18 2dbf h SER 56 Ca 0.31 -0.37 -0.12 0.00 -0.84 0.00 0.00 61.79 60.78 2dbf h SER 56 Cb 1.46 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 63.80 2dbf h SER 56 CO -0.00 1.10 -0.44 0.50 -1.14 0.00 0.00 176.83 176.85 2dbf h LYS 57 N 0.51 0.38 -0.11 3.45 3.64 -1.05 -3.21 116.57 120.17 2dbf h LYS 57 Ca 0.02 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 2dbf h LYS 57 Cb 1.07 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 2dbf h LYS 57 CO 0.10 1.00 -0.04 1.15 -2.27 0.00 0.00 179.45 179.40 2dbf h THR 58 N -0.12 1.10 -0.46 1.00 2.02 -1.38 -2.54 112.91 112.54 2dbf h THR 58 Ca -0.04 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 2dbf h THR 58 Cb 1.12 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 2dbf h THR 58 CO 0.09 0.13 0.28 0.25 0.37 0.00 0.00 175.52 176.64 2dbf h LEU 59 N 0.16 0.54 -1.45 2.58 5.85 -1.38 -1.90 115.31 119.71 2dbf h LEU 59 Ca 0.04 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2dbf h LEU 59 Cb 0.18 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2dbf h LEU 59 CO 0.01 0.43 -0.18 0.24 -0.34 0.00 0.00 178.44 178.59 2dbf h MET 60 N 0.61 0.13 -0.14 1.25 2.86 -1.48 0.61 114.93 118.77 2dbf h MET 60 Ca 0.16 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.65 2dbf h MET 60 Cb -0.02 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2dbf h MET 60 CO -0.03 0.32 -0.46 -0.44 1.06 0.00 0.00 176.91 177.36 2dbf h ASP 61 N 0.13 0.36 0.45 1.22 5.19 -1.21 -2.24 116.42 120.32 2dbf h ASP 61 Ca 0.02 -0.17 -0.31 0.00 -0.62 0.00 0.00 57.03 55.96 2dbf h ASP 61 Cb 0.40 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.81 2dbf h ASP 61 CO 0.03 0.78 -1.48 0.78 -3.12 0.00 0.00 179.24 176.22 2dbf h ASN 62 N 0.27 0.47 -0.59 6.45 2.35 -0.82 -3.20 115.58 120.52 2dbf h ASN 62 Ca 0.02 -0.60 -0.05 0.00 -0.55 0.00 0.00 56.30 55.12 2dbf h ASN 62 Cb 0.92 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 39.11 2dbf h ASN 62 CO 0.08 1.49 0.18 0.22 -1.65 0.00 0.00 177.43 177.74 2dbf h TYR 63 N 0.08 0.99 -0.52 1.19 3.20 -0.86 -2.42 116.97 118.63 2dbf h TYR 63 Ca -0.23 -0.09 -0.10 0.00 3.14 0.00 0.00 58.73 61.45 2dbf h TYR 63 Cb 2.03 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 40.00 2dbf h TYR 63 CO 0.07 0.80 -0.06 1.49 -1.64 0.00 0.00 178.16 178.83 2dbf h GLU 64 N 0.93 0.95 0.00 1.82 4.81 -1.51 -2.52 114.58 119.06 2dbf h GLU 64 Ca 0.20 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 2dbf h GLU 64 Cb 0.29 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 2dbf h GLU 64 CO -0.01 0.99 -0.13 0.28 -0.73 0.00 0.00 179.01 179.42 2dbf h VAL 65 N 0.82 0.55 -0.83 0.32 2.07 -1.49 -2.53 116.25 115.16 2dbf h VAL 65 Ca 0.14 -0.58 -0.51 0.00 0.82 0.00 0.00 66.70 66.57 2dbf h VAL 65 Cb 0.60 1.38 -0.25 0.00 -1.52 0.00 0.00 31.29 31.51 2dbf h VAL 65 CO 0.04 0.12 0.65 -1.20 0.02 0.00 0.00 177.57 177.21 2dbf n SER 66 N -3.61 5.84 0.00 0.57 7.64 -0.94 -4.92 113.62 118.21 2dbf n SER 66 Ca -0.02 -3.46 0.00 0.00 1.01 0.00 0.00 58.87 56.40 2dbf n SER 66 Cb 0.25 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 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 -0.64 2.05 0.27 0.23 0.00 -0.95 -4.96 105.19 101.19 2dbf n GLY 67 Ca 0.51 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2dbf n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dbf n GLY 68 N 0.00 -3.41 3.21 -0.02 0.00 -0.98 -4.15 105.19 99.83 2dbf n GLY 68 Ca 0.00 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.92 2dbf n GLY 68 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dbf s THR 69 N -1.72 0.10 -0.09 2.61 -4.23 -1.26 -3.68 115.64 107.37 2dbf s THR 69 Ca 0.00 -0.85 -0.08 0.00 -1.18 0.00 0.00 61.69 59.58 2dbf s THR 69 Cb 0.00 -0.98 -0.28 0.00 1.34 0.00 0.00 72.50 72.58 2dbf s THR 69 CO 0.00 -0.47 0.48 0.58 -0.54 0.00 0.00 174.62 174.67 2dbf h VAL 70 N 3.27 0.73 -0.40 2.29 2.07 -1.99 -3.24 116.25 118.99 2dbf h VAL 70 Ca -0.32 -2.41 -0.02 0.00 0.82 0.00 0.00 66.70 64.77 2dbf h VAL 70 Cb 1.20 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 33.54 2dbf h VAL 70 CO 0.48 0.88 0.15 0.03 0.02 0.00 0.00 177.57 179.14 2dbf h ARG 71 N 0.08 0.56 -0.20 1.57 2.47 -1.97 -1.25 114.38 115.64 2dbf h ARG 71 Ca -0.39 -0.07 -0.14 0.00 -1.26 0.00 0.00 59.98 58.12 2dbf h ARG 71 Cb 2.06 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 30.27 2dbf h ARG 71 CO 0.12 0.47 -0.41 0.93 0.56 0.00 0.00 179.97 181.64 2dbf h GLU 72 N 0.56 0.63 -0.78 0.04 3.07 -2.00 -2.24 114.58 113.86 2dbf h GLU 72 Ca 0.14 -0.41 -0.05 0.00 -0.50 0.00 0.00 59.36 58.54 2dbf h GLU 72 Cb 0.12 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 2dbf h GLU 72 CO -0.01 1.03 0.30 1.25 -1.40 0.00 0.00 179.01 180.17 2dbf h LEU 73 N 0.31 1.08 -1.04 1.33 5.85 -1.49 0.62 115.31 121.97 2dbf h LEU 73 Ca 0.01 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.45 2dbf h LEU 73 Cb 1.01 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 2dbf h LEU 73 CO 0.09 0.97 -0.42 0.58 -0.34 0.00 0.00 178.44 179.32 2dbf h VAL 74 N 1.13 1.31 0.03 1.05 2.07 -1.24 -2.60 116.25 118.00 2dbf h VAL 74 Ca 0.26 -1.50 -0.13 0.00 0.82 0.00 0.00 66.70 66.15 2dbf h VAL 74 Cb 0.23 1.74 0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2dbf h VAL 74 CO -0.02 0.44 -0.54 -0.33 0.02 0.00 0.00 177.57 177.13 2dbf h GLU 75 N 0.10 0.32 -0.20 1.57 5.08 -0.92 -3.05 114.58 117.48 2dbf h GLU 75 Ca 0.01 -0.38 0.03 0.00 -1.00 0.00 0.00 59.36 58.01 2dbf h GLU 75 Cb 0.79 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2dbf h GLU 75 CO 0.06 1.09 0.14 0.00 -1.00 0.00 0.00 179.01 179.29 2dbf h ALA 76 N 0.24 1.99 -0.00 3.43 0.00 -0.85 -0.72 119.26 123.34 2dbf h ALA 76 Ca -0.08 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 2dbf h ALA 76 Cb 1.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 2dbf h ALA 76 CO 0.11 -0.02 -0.73 -0.07 0.00 0.00 0.00 179.25 178.54 2dbf h LEU 77 N 0.16 0.00 -0.37 0.00 3.38 -1.51 -2.82 115.31 114.16 2dbf h LEU 77 Ca 0.08 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.88 2dbf h LEU 77 Cb 0.14 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2dbf h LEU 77 CO -0.01 0.73 -0.82 -0.09 0.09 0.00 0.00 178.44 178.34 2dbf h ARG 78 N 0.00 0.06 -0.02 1.13 2.43 -1.05 0.70 114.38 117.64 2dbf h ARG 78 Ca -0.01 -0.07 -0.16 0.00 -0.81 0.00 0.00 59.98 58.93 2dbf h ARG 78 Cb 1.29 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.84 2dbf h ARG 78 CO 0.09 0.84 -0.74 1.96 -1.51 0.00 0.00 179.97 180.62 2dbf h GLN 79 N 0.03 0.12 0.10 0.20 4.20 -1.28 -3.24 115.11 115.24 2dbf h GLN 79 Ca -0.02 -0.10 -0.29 0.00 0.06 0.00 0.00 58.65 58.30 2dbf h GLN 79 Cb 1.44 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.23 2dbf h GLN 79 CO 0.11 0.80 -1.45 0.52 -0.67 0.00 0.00 178.83 178.15 2dbf h MET 80 N 0.07 0.20 0.00 1.46 2.86 -1.48 -3.48 114.93 114.56 2dbf h MET 80 Ca -0.02 -0.34 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 2dbf h MET 80 Cb 1.30 0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.09 2dbf h MET 80 CO 0.11 1.06 0.00 0.41 1.06 0.00 0.00 176.91 179.55 2dbf n GLY 81 N 1.60 1.88 3.78 8.32 0.00 -0.50 -4.76 105.19 115.51 2dbf n GLY 81 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 3.75 -0.00 1.61 2.02 0.23 -4.96 117.35 118.00 2dbf s TYR 82 Ca 0.00 1.27 -0.00 0.00 -0.37 0.00 0.00 57.07 57.97 2dbf s TYR 82 Cb 0.00 -2.58 -0.00 0.00 -0.40 0.00 0.00 41.96 38.97 2dbf s TYR 82 CO 0.00 0.46 -0.00 2.41 -1.57 0.00 0.00 175.55 176.84 2dbf n THR 83 N 2.24 0.02 -0.06 -0.71 -1.04 -1.26 -4.43 114.28 109.03 2dbf n THR 83 Ca -0.08 -0.01 -0.15 0.00 -2.04 0.00 0.00 64.05 61.78 2dbf n THR 83 Cb 0.51 -0.67 -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 0.65 -0.82 -2.82 4.22 -1.99 -2.92 114.58 110.90 2dbf h GLU 84 Ca -0.01 -0.43 0.03 0.00 0.08 0.00 0.00 59.36 59.03 2dbf h GLU 84 Cb 1.01 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.27 2dbf h GLU 84 CO -0.00 1.05 0.54 0.00 -2.18 0.00 0.00 179.01 178.42 2dbf h ALA 85 N 0.59 1.48 -0.51 2.92 0.00 -1.98 -2.19 119.26 119.57 2dbf h ALA 85 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2dbf h ALA 85 Cb 1.05 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2dbf h ALA 85 CO 0.10 0.45 -0.04 0.82 0.00 0.00 0.00 179.25 180.58 2dbf h ILE 86 N 1.04 1.27 -0.59 0.00 2.04 -1.80 -2.90 117.51 116.57 2dbf h ILE 86 Ca 0.32 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 2dbf h ILE 86 Cb -0.01 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 2dbf h ILE 86 CO -0.09 0.40 0.28 -0.33 0.00 0.00 0.00 178.15 178.42 2dbf h GLU 87 N 0.79 0.83 -0.42 2.37 4.39 -1.22 -0.20 114.58 121.11 2dbf h GLU 87 Ca 0.14 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 2dbf h GLU 87 Cb 0.58 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2dbf h GLU 87 CO 0.03 0.65 0.11 0.28 -1.16 0.00 0.00 179.01 178.92 2dbf h VAL 88 N 0.83 1.19 0.02 3.13 2.07 -1.22 0.13 116.25 122.40 2dbf h VAL 88 Ca 0.21 -0.66 -0.03 0.00 0.82 0.00 0.00 66.70 67.03 2dbf h VAL 88 Cb 0.09 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2dbf h VAL 88 CO -0.03 0.24 -0.13 0.40 0.02 0.00 0.00 177.57 178.08 2dbf h ILE 89 N 0.61 1.73 -0.12 4.57 2.04 -1.26 -3.30 117.51 121.79 2dbf h ILE 89 Ca 0.14 -2.32 -0.03 0.00 1.00 0.00 0.00 64.86 63.65 2dbf h ILE 89 Cb 0.23 3.30 -0.01 0.00 -0.74 0.00 0.00 36.82 39.60 2dbf h ILE 89 CO -0.00 0.61 -0.05 1.56 0.00 0.00 0.00 178.15 180.27 2dbf h GLN 90 N -0.87 0.17 -0.45 2.37 4.20 -1.00 0.17 115.11 119.70 2dbf h GLN 90 Ca -0.02 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2dbf h GLN 90 Cb 1.08 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 2dbf h GLN 90 CO 0.02 0.23 0.29 0.00 -0.67 0.00 0.00 178.83 178.71 2dbf h ALA 91 N 1.79 1.67 0.00 3.87 0.00 -0.83 -3.35 119.26 122.41 2dbf h ALA 91 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dbf h ALA 91 Cb 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2dbf h ALA 91 CO 0.01 0.31 -0.19 0.00 0.00 0.00 0.00 179.25 179.38 2dbf n ALA 92 N -2.47 0.16 -0.79 0.00 0.00 -0.78 -5.02 120.51 111.61 2dbf n ALA 92 Ca 0.04 -0.34 -0.28 0.00 0.00 0.00 0.00 53.44 52.85 2dbf n ALA 92 Cb 0.06 0.01 0.23 0.00 0.00 0.00 0.00 19.45 19.74 2dbf n ALA 92 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2dbf s SER 93 N -4.33 1.42 -0.20 0.00 0.01 0.53 -4.68 113.70 106.44 2dbf s SER 93 Ca -0.05 1.31 -0.10 0.00 1.31 0.00 0.00 55.95 58.41 2dbf s SER 93 Cb 0.01 -2.03 0.04 0.00 0.21 0.00 0.00 66.02 64.24 2dbf s SER 93 CO 0.08 -3.90 0.20 -0.24 0.41 0.00 0.00 173.24 169.80 2dbf n SER 94 N -4.69 -1.68 -3.50 2.44 2.88 -1.26 -4.54 113.62 103.26 2dbf n SER 94 Ca 0.04 1.33 -0.12 0.00 -1.33 0.00 0.00 58.87 58.79 2dbf n SER 94 Cb 0.56 -5.17 -0.03 0.00 -0.75 0.00 0.00 64.21 58.82 2dbf n SER 94 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dbf s SER 95 N -0.82 -0.48 0.00 -3.46 0.01 -1.26 -4.94 113.70 102.74 2dbf s SER 95 Ca -0.23 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2dbf s SER 95 Cb 0.02 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.70 2dbf s SER 95 CO 0.78 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 174.38 2dbf n GLY 96 N 0.15 2.08 0.13 3.44 0.00 -1.26 -4.89 105.19 104.84 2dbf n GLY 96 Ca -0.13 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 2dbf n GLY 96 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbf h PRO 97 N 0.00 0.36 -3.98 1.61 0.13 -1.99 -3.48 132.00 124.65 2dbf h PRO 97 Ca 0.00 -0.17 -0.19 0.00 -0.87 0.00 0.00 66.00 64.77 2dbf h PRO 97 Cb 0.00 -0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.04 2dbf h PRO 97 CO 0.00 0.71 -0.20 -1.54 -0.23 0.00 0.00 178.00 176.74 2dbf s SER 98 N -6.08 0.46 -0.35 1.44 1.04 -1.26 -5.04 113.70 103.91 2dbf s SER 98 Ca -0.14 -1.28 -0.06 0.00 0.48 0.00 0.00 55.95 54.95 2dbf s SER 98 Cb 0.05 0.61 0.01 0.00 0.10 0.00 0.00 66.02 66.79 2dbf s SER 98 CO 0.75 -1.21 0.22 -0.24 0.98 0.00 0.00 173.24 173.74 2dbf n SER 99 N -0.93 -7.87 0.00 7.02 2.88 -1.26 -4.64 113.62 108.82 2dbf n SER 99 Ca -0.00 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.62 2dbf n SER 99 Cb 0.62 -5.27 0.00 0.00 -0.75 0.00 0.00 64.21 58.81 2dbf n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42