#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 -5.22 -2.13 1.61 7.64 -1.26 -5.06 113.62 109.19 2dbf n SER 2 Ca 0.00 1.63 -0.01 0.00 1.01 0.00 0.00 58.87 61.50 2dbf n SER 2 Cb 0.00 -5.25 0.00 0.00 -1.01 0.00 0.00 64.21 57.95 2dbf n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dbf n SER 3 N 1.78 0.98 -3.26 6.43 2.88 -1.26 -5.13 113.62 116.04 2dbf n SER 3 Ca -0.20 -1.08 -0.09 0.00 -1.33 0.00 0.00 58.87 56.16 2dbf n SER 3 Cb 0.31 -0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.73 2dbf n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dbf s GLY 4 N -1.68 -0.58 -0.03 0.46 0.00 -1.26 -5.03 107.32 99.20 2dbf s GLY 4 Ca 0.02 -0.50 -0.04 0.00 0.00 0.00 0.00 44.72 44.20 2dbf s GLY 4 CO 0.01 3.16 -0.07 -1.26 0.00 0.00 0.00 173.10 174.94 2dbf n SER 5 N 4.18 0.46 -4.83 1.64 2.88 -1.26 -5.02 113.62 111.66 2dbf n SER 5 Ca 0.12 0.07 -0.32 0.00 -1.33 0.00 0.00 58.87 57.41 2dbf n SER 5 Cb 0.51 -0.46 -0.05 0.00 -0.75 0.00 0.00 64.21 63.45 2dbf n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dbf s SER 6 N -4.65 6.77 0.00 -3.46 0.01 -1.26 -4.49 113.70 106.62 2dbf s SER 6 Ca -0.06 1.58 0.00 0.00 1.31 0.00 0.00 55.95 58.78 2dbf s SER 6 Cb 0.01 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2dbf s SER 6 CO 0.09 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2dbf n GLY 7 N -1.06 0.75 2.36 3.44 0.00 -0.90 -4.90 105.19 104.89 2dbf n GLY 7 Ca 0.06 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2dbf n GLY 7 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dbf n ASP 8 N 0.08 7.55 0.02 1.61 -0.08 0.13 -4.38 116.55 121.48 2dbf n ASP 8 Ca 0.00 -3.71 -0.01 0.00 -1.51 0.00 0.00 54.79 49.56 2dbf n ASP 8 Cb 0.12 -1.00 -0.09 0.00 2.34 0.00 0.00 41.12 42.48 2dbf n ASP 8 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 2dbf n MET 9 N -0.71 0.62 -0.22 -0.67 2.81 -1.17 -4.08 117.12 113.71 2dbf n MET 9 Ca 0.58 0.21 0.05 0.00 -1.81 0.00 0.00 57.70 56.74 2dbf n MET 9 Cb 0.59 -1.79 0.32 0.00 -0.71 0.00 0.00 33.22 31.63 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 0.82 -0.04 0.03 1.57 -1.91 -0.58 116.57 116.46 2dbf h LYS 10 Ca -0.18 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2dbf h LYS 10 Cb 1.62 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.74 2dbf h LYS 10 CO 0.05 0.54 0.02 -0.56 -0.57 0.00 0.00 179.45 178.93 2dbf h GLN 11 N 0.84 0.06 -6.64 3.15 3.07 -1.92 -3.42 115.11 110.25 2dbf h GLN 11 Ca 0.33 -0.00 -0.52 0.00 0.09 0.00 0.00 58.65 58.55 2dbf h GLN 11 Cb 0.23 -0.01 0.02 0.00 0.08 0.00 0.00 27.48 27.79 2dbf h GLN 11 CO -0.11 0.05 0.57 -0.51 0.09 0.00 0.00 178.83 178.92 2dbf s LEU 12 N -9.09 4.44 0.60 0.06 1.43 -0.23 -5.01 118.68 110.87 2dbf s LEU 12 Ca -0.05 2.24 -0.17 0.00 -1.03 0.00 0.00 54.13 55.11 2dbf s LEU 12 Cb 0.17 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.75 2dbf s LEU 12 CO 0.68 -0.41 1.10 0.00 0.23 0.00 0.00 176.35 177.95 2dbf s ALA 13 N 0.11 2.63 0.39 4.21 0.00 -1.26 -4.94 121.76 122.89 2dbf s ALA 13 Ca 0.54 0.61 0.10 0.00 0.00 0.00 0.00 51.96 53.21 2dbf s ALA 13 Cb -0.33 -3.31 0.78 0.00 0.00 0.00 0.00 23.12 20.26 2dbf s ALA 13 CO 0.36 -0.94 1.91 1.49 0.00 0.00 0.00 175.76 178.58 2dbf h GLU 14 N 0.61 0.22 -0.07 0.00 4.81 -1.94 -2.25 114.58 115.95 2dbf h GLU 14 Ca -0.48 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 58.61 2dbf h GLU 14 Cb 1.24 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2dbf h GLU 14 CO 0.56 0.38 -0.37 -0.44 -0.73 0.00 0.00 179.01 178.40 2dbf h ASP 15 N 0.21 0.15 -0.17 1.04 5.19 -1.99 -1.06 116.42 119.79 2dbf h ASP 15 Ca 0.04 -0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.37 2dbf h ASP 15 Cb 0.39 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.85 2dbf h ASP 15 CO 0.02 0.52 -0.01 0.58 -3.12 0.00 0.00 179.24 177.23 2dbf h VAL 16 N 0.13 1.26 0.00 -1.35 2.07 -1.77 -2.88 116.25 113.70 2dbf h VAL 16 Ca 0.01 -0.89 -0.13 0.00 0.82 0.00 0.00 66.70 66.52 2dbf h VAL 16 Cb 0.72 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2dbf h VAL 16 CO 0.05 0.27 -0.61 0.11 0.02 0.00 0.00 177.57 177.41 2dbf h LYS 17 N 0.05 0.00 -0.60 1.57 1.57 -1.45 -3.16 116.57 114.55 2dbf h LYS 17 Ca 0.05 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2dbf h LYS 17 Cb 0.41 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.68 2dbf h LYS 17 CO 0.01 0.61 0.38 -0.07 -0.57 0.00 0.00 179.45 179.81 2dbf h LEU 18 N 0.00 0.62 -1.07 2.94 3.38 -1.09 -2.08 115.31 118.01 2dbf h LEU 18 Ca -0.01 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2dbf h LEU 18 Cb 1.10 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2dbf h LEU 18 CO 0.08 0.44 -0.09 1.56 0.09 0.00 0.00 178.44 180.52 2dbf h GLN 19 N 0.75 0.56 -0.12 1.13 4.20 -1.48 -2.44 115.11 117.70 2dbf h GLN 19 Ca 0.24 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.82 2dbf h GLN 19 Cb -0.00 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2dbf h GLN 19 CO -0.09 0.65 0.08 -0.07 -0.67 0.00 0.00 178.83 178.73 2dbf h LEU 20 N 0.52 0.04 -1.00 1.46 3.38 -1.37 -1.34 115.31 117.01 2dbf h LEU 20 Ca 0.10 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2dbf h LEU 20 Cb 0.47 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2dbf h LEU 20 CO 0.03 0.03 0.12 1.88 0.09 0.00 0.00 178.44 180.59 2dbf h TYR 21 N 0.05 0.87 -0.25 1.13 0.05 -1.24 -2.00 116.97 115.58 2dbf h TYR 21 Ca 0.05 -0.08 -0.17 0.00 0.05 0.00 0.00 58.73 58.58 2dbf h TYR 21 Cb 0.15 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.64 2dbf h TYR 21 CO -0.00 0.74 -0.49 0.87 -1.05 0.00 0.00 178.16 178.23 2dbf h LYS 22 N 0.81 0.78 0.23 4.88 1.57 -1.33 -2.08 116.57 121.43 2dbf h LYS 22 Ca 0.18 -0.50 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 2dbf h LYS 22 Cb 0.31 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2dbf h LYS 22 CO -0.00 1.13 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.82 2dbf h LEU 23 N 0.53 -0.27 -1.77 2.94 3.38 -1.25 -2.34 115.31 116.52 2dbf h LEU 23 Ca 0.01 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2dbf h LEU 23 Cb 1.10 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 2dbf h LEU 23 CO 0.11 -0.19 -0.16 -0.07 0.09 0.00 0.00 178.44 178.22 2dbf h LEU 24 N -0.32 0.00 -2.12 1.67 3.38 -1.43 -2.37 115.31 114.13 2dbf h LEU 24 Ca -0.03 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.02 2dbf h LEU 24 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2dbf h LEU 24 CO 0.05 0.16 0.25 -0.08 0.09 0.00 0.00 178.44 178.92 2dbf h GLU 25 N 0.00 0.00 -6.28 1.13 4.22 -0.80 -2.69 114.58 110.16 2dbf h GLU 25 Ca -0.00 0.00 -0.54 0.00 0.08 0.00 0.00 59.36 58.89 2dbf h GLU 25 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2dbf h GLU 25 CO 0.02 0.00 1.16 0.42 -2.18 0.00 0.00 179.01 178.43 2dbf s ILE 26 N -4.78 3.37 -1.06 2.32 1.01 -0.90 -4.87 121.20 116.29 2dbf s ILE 26 Ca -0.05 0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.93 2dbf s ILE 26 Cb 0.17 -3.30 -0.07 0.00 0.01 0.00 0.00 42.46 39.26 2dbf s ILE 26 CO 0.61 -0.06 2.21 -0.81 0.00 0.00 0.00 174.94 176.90 2dbf n PRO 27 N 7.40 2.29 -4.82 2.79 -0.04 -1.26 -3.83 135.00 137.52 2dbf n PRO 27 Ca 0.19 -1.82 -0.32 0.00 -0.04 0.00 0.00 63.50 61.52 2dbf n PRO 27 Cb 0.42 -2.73 -0.13 0.00 -0.04 0.00 0.00 33.50 31.02 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 3.60 3.81 0.25 3.54 1.11 -1.25 -5.01 116.67 122.73 2dbf s ASP 28 Ca 0.50 -0.34 -0.03 0.00 0.18 0.00 0.00 52.55 52.86 2dbf s ASP 28 Cb 0.13 -0.68 0.45 0.00 1.07 0.00 0.00 42.92 43.89 2dbf s ASP 28 CO -0.00 0.30 1.78 -0.65 1.18 0.00 0.00 175.17 177.77 2dbf h PRO 29 N 4.96 0.64 -0.51 8.23 0.11 -1.99 -1.40 132.00 142.04 2dbf h PRO 29 Ca -0.47 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.41 2dbf h PRO 29 Cb 1.15 -0.14 -0.12 0.00 0.11 0.00 0.00 31.00 32.00 2dbf h PRO 29 CO 0.49 0.42 0.13 -0.25 -0.21 0.00 0.00 178.00 178.58 2dbf n ASP 30 N -4.84 3.52 -2.69 -2.05 8.00 -1.26 -4.51 116.55 112.72 2dbf n ASP 30 Ca 0.15 -3.45 -0.05 0.00 0.71 0.00 0.00 54.79 52.15 2dbf n ASP 30 Cb 0.36 -0.67 0.12 0.00 -0.02 0.00 0.00 41.12 40.91 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 -0.77 1.29 -4.43 -1.24 5.02 -0.60 -4.26 118.16 113.17 2dbf n LYS 31 Ca 0.36 -1.66 -0.22 0.00 -2.02 0.00 0.00 58.31 54.77 2dbf n LYS 31 Cb 1.17 0.07 -0.10 0.00 -0.02 0.00 0.00 35.03 36.15 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 -1.33 3.19 0.14 4.39 3.04 -0.76 -3.81 114.94 119.80 2dbf s ASN 32 Ca 0.17 -1.05 -0.13 0.00 0.04 0.00 0.00 52.86 51.88 2dbf s ASN 32 Cb 0.42 -0.24 0.02 0.00 -1.54 0.00 0.00 41.25 39.91 2dbf s ASN 32 CO -0.10 -0.08 1.62 4.11 -3.04 0.00 0.00 177.10 179.61 2dbf h TRP 33 N 2.35 0.86 -0.19 0.43 5.08 -1.75 -2.64 115.95 120.10 2dbf h TRP 33 Ca -0.39 -0.13 0.02 0.00 1.08 0.00 0.00 58.89 59.47 2dbf h TRP 33 Cb 1.24 -0.23 -0.01 0.00 -3.00 0.00 0.00 29.16 27.16 2dbf h TRP 33 CO 0.76 0.80 0.13 0.00 -1.28 0.00 0.00 178.44 178.85 2dbf h ALA 34 N 0.95 1.99 -0.17 0.11 0.00 -1.95 -1.12 119.26 119.07 2dbf h ALA 34 Ca 0.14 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2dbf h ALA 34 Cb 0.42 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2dbf h ALA 34 CO 0.01 -0.02 -0.50 1.15 0.00 0.00 0.00 179.25 179.89 2dbf h THR 35 N 0.15 1.33 -0.02 0.00 2.02 -1.80 -3.03 112.91 111.55 2dbf h THR 35 Ca 0.08 -1.73 -0.16 0.00 0.77 0.00 0.00 66.41 65.37 2dbf h THR 35 Cb 0.13 1.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 2dbf h THR 35 CO -0.01 0.53 -0.73 0.25 0.37 0.00 0.00 175.52 175.93 2dbf h LEU 36 N 0.35 0.14 -1.67 2.58 5.85 -1.06 -2.92 115.31 118.58 2dbf h LEU 36 Ca 0.02 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 2dbf h LEU 36 Cb 1.00 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 2dbf h LEU 36 CO 0.09 0.82 -0.10 0.00 -0.34 0.00 0.00 178.44 178.91 2dbf h ALA 37 N 1.18 1.73 0.12 1.25 0.00 -1.23 0.18 119.26 122.49 2dbf h ALA 37 Ca -0.02 -0.13 -0.28 0.00 0.00 0.00 0.00 54.91 54.49 2dbf h ALA 37 Cb 1.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2dbf h ALA 37 CO 0.10 0.20 -1.33 1.96 0.00 0.00 0.00 179.25 180.18 2dbf h GLN 38 N 0.08 0.24 -0.10 0.00 4.20 -1.51 0.68 115.11 118.70 2dbf h GLN 38 Ca 0.02 -0.42 -0.17 0.00 0.06 0.00 0.00 58.65 58.14 2dbf h GLN 38 Cb 0.23 0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.18 2dbf h GLN 38 CO 0.01 1.16 -0.59 0.87 -0.67 0.00 0.00 178.83 179.61 2dbf h LYS 39 N 0.07 0.59 0.39 1.46 6.56 -1.25 -3.36 116.57 121.02 2dbf h LYS 39 Ca -0.17 -0.49 -0.02 0.00 -1.06 0.00 0.00 60.65 58.91 2dbf h LYS 39 Cb 1.98 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 33.75 2dbf h LYS 39 CO 0.18 1.12 -0.19 -0.07 -2.06 0.00 0.00 179.45 178.43 2dbf h LEU 40 N 0.21 -0.45 0.00 2.94 3.38 -0.78 -3.45 115.31 117.17 2dbf h LEU 40 Ca -0.04 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2dbf h LEU 40 Cb 1.24 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2dbf h LEU 40 CO 0.12 -0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.09 2dbf n GLY 41 N -0.04 0.00 1.66 0.83 0.00 -0.99 -5.06 105.19 101.59 2dbf n GLY 41 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 1.02 0.24 0.99 4.77 0.23 -4.87 117.00 119.38 2dbf n LEU 42 Ca 0.00 -2.13 0.10 0.00 -0.03 0.00 0.00 56.01 53.95 2dbf n LEU 42 Cb 0.00 0.06 0.61 0.00 -2.33 0.00 0.00 43.42 41.76 2dbf n LEU 42 CO 0.00 0.59 0.90 1.23 -1.33 0.00 0.00 177.39 178.78 2dbf h GLY 43 N 1.18 0.00 2.00 -0.72 0.00 -1.71 -2.50 103.07 101.32 2dbf h GLY 43 Ca -0.23 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 2dbf h GLY 43 CO 0.10 0.00 -0.39 1.19 0.00 0.00 0.00 176.54 177.44 2dbf h ILE 44 N 0.00 1.27 -0.75 2.60 6.09 -1.89 -2.78 117.51 122.04 2dbf h ILE 44 Ca -0.00 -1.33 -0.42 0.00 -1.37 0.00 0.00 64.86 61.74 2dbf h ILE 44 Cb 0.46 1.72 -0.24 0.00 0.47 0.00 0.00 36.82 39.23 2dbf h ILE 44 CO 0.02 0.38 0.34 0.18 -3.07 0.00 0.00 178.15 176.00 2dbf n LEU 45 N -4.06 5.82 0.10 2.19 4.77 -0.95 -4.55 117.00 120.33 2dbf n LEU 45 Ca -0.02 -3.82 -0.04 0.00 -0.03 0.00 0.00 56.01 52.10 2dbf n LEU 45 Cb 0.42 -0.76 0.11 0.00 -2.33 0.00 0.00 43.42 40.86 2dbf n LEU 45 CO 0.39 1.24 0.44 -1.13 -1.33 0.00 0.00 177.39 177.00 2dbf h ASN 46 N 1.18 0.15 0.57 -1.43 -0.73 -1.45 -3.05 115.58 110.83 2dbf h ASN 46 Ca 0.47 -0.09 -0.16 0.00 1.87 0.00 0.00 56.30 58.39 2dbf h ASN 46 Cb 2.11 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 40.64 2dbf h ASN 46 CO 0.89 0.77 -0.71 -1.13 -0.37 0.00 0.00 177.43 176.88 2dbf h ASN 47 N 0.09 0.14 -0.32 1.15 -0.73 -1.83 -2.84 115.58 111.23 2dbf h ASN 47 Ca -0.01 -0.10 -0.11 0.00 1.87 0.00 0.00 56.30 57.95 2dbf h ASN 47 Cb 1.19 -0.04 -0.02 0.00 0.27 0.00 0.00 38.32 39.72 2dbf h ASN 47 CO 0.10 0.80 -0.20 0.00 -0.37 0.00 0.00 177.43 177.76 2dbf h ALA 48 N 1.19 0.88 -0.28 1.57 0.00 -1.87 -2.72 119.26 118.04 2dbf h ALA 48 Ca -0.02 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 2dbf h ALA 48 Cb 1.26 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2dbf h ALA 48 CO 0.10 0.63 -0.35 0.74 0.00 0.00 0.00 179.25 180.37 2dbf h PHE 49 N 0.70 0.89 -0.68 0.00 0.04 -1.51 -2.92 116.94 113.47 2dbf h PHE 49 Ca 0.10 -0.29 0.04 0.00 2.80 0.00 0.00 57.97 60.62 2dbf h PHE 49 Cb 0.71 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.64 2dbf h PHE 49 CO 0.04 1.06 0.45 -0.09 -0.60 0.00 0.00 178.31 179.16 2dbf h ARG 50 N 0.47 0.78 -0.06 1.51 2.43 -1.43 -1.20 114.38 116.89 2dbf h ARG 50 Ca 0.03 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.05 2dbf h ARG 50 Cb 0.94 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 2dbf h ARG 50 CO 0.08 0.52 -0.47 -0.07 -1.51 0.00 0.00 179.97 178.52 2dbf h LEU 51 N 0.81 0.15-10.31 3.80 3.38 -1.41 -3.45 115.31 108.28 2dbf h LEU 51 Ca 0.27 -0.07 -0.49 0.00 0.09 0.00 0.00 57.88 57.68 2dbf h LEU 51 Cb 0.09 -0.04 0.15 0.00 0.09 0.00 0.00 40.66 40.94 2dbf h LEU 51 CO -0.08 0.60 0.26 -0.44 0.09 0.00 0.00 178.44 178.87 2dbf s SER 52 N -6.89 3.66 0.39 -0.43 0.01 -0.46 -4.94 113.70 105.05 2dbf s SER 52 Ca -0.03 1.67 0.13 0.00 1.31 0.00 0.00 55.95 59.02 2dbf s SER 52 Cb 0.13 -2.33 0.78 0.00 0.21 0.00 0.00 66.02 64.82 2dbf s SER 52 CO 0.76 -2.55 1.86 1.55 0.41 0.00 0.00 173.24 175.28 2dbf h PRO 53 N -1.48 0.00 -2.55 12.44 0.13 -1.87 -3.37 132.00 135.30 2dbf h PRO 53 Ca -0.47 -0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.07 2dbf h PRO 53 Cb 1.27 -0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.01 2dbf h PRO 53 CO 0.52 0.33 -0.88 0.00 -0.23 0.00 0.00 178.00 177.74 2dbf s ALA 54 N -4.29 1.39 0.28 -0.56 0.00 -1.26 -5.00 121.76 112.31 2dbf s ALA 54 Ca -0.03 -2.28 0.02 0.00 0.00 0.00 0.00 51.96 49.67 2dbf s ALA 54 Cb 0.15 -1.65 0.64 0.00 0.00 0.00 0.00 23.12 22.25 2dbf s ALA 54 CO 0.72 -2.04 1.75 -1.35 0.00 0.00 0.00 175.76 174.84 2dbf h PRO 55 N 6.32 0.59 -0.04 0.00 0.11 -1.72 0.19 132.00 137.44 2dbf h PRO 55 Ca 0.15 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 2dbf h PRO 55 Cb 0.93 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 2dbf h PRO 55 CO 0.35 0.39 -0.38 0.77 -0.21 0.00 0.00 178.00 178.92 2dbf h SER 56 N 0.61 0.09 0.62 -2.05 0.02 -1.93 -0.14 113.55 110.78 2dbf h SER 56 Ca 0.52 -0.03 -0.22 0.00 -0.84 0.00 0.00 61.79 61.22 2dbf h SER 56 Cb 0.82 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2dbf h SER 56 CO -0.41 0.47 -0.97 0.50 -1.14 0.00 0.00 176.83 175.28 2dbf h LYS 57 N 0.08 0.21 0.00 3.45 3.64 -1.11 -3.25 116.57 119.58 2dbf h LYS 57 Ca 0.01 -0.26 -0.18 0.00 -1.27 0.00 0.00 60.65 58.94 2dbf h LYS 57 Cb 0.72 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 2dbf h LYS 57 CO 0.05 1.03 -0.87 1.15 -2.27 0.00 0.00 179.45 178.54 2dbf h THR 58 N 0.10 1.50 -0.36 1.00 2.02 -0.67 -3.25 112.91 113.26 2dbf h THR 58 Ca -0.06 -3.11 0.03 0.00 0.77 0.00 0.00 66.41 64.04 2dbf h THR 58 Cb 1.64 2.73 -0.03 0.00 -1.74 0.00 0.00 68.15 70.75 2dbf h THR 58 CO 0.15 0.85 0.16 0.25 0.37 0.00 0.00 175.52 177.31 2dbf h LEU 59 N 0.00 0.23 -1.25 2.58 5.85 -1.06 -0.90 115.31 120.76 2dbf h LEU 59 Ca -0.01 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.66 2dbf h LEU 59 Cb 1.66 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.67 2dbf h LEU 59 CO 0.11 0.17 -0.33 0.24 -0.34 0.00 0.00 178.44 178.29 2dbf h MET 60 N 0.34 0.07 -0.14 1.25 2.86 -1.65 -0.44 114.93 117.22 2dbf h MET 60 Ca 0.15 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.64 2dbf h MET 60 Cb 0.08 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2dbf h MET 60 CO -0.12 0.40 -0.46 -0.44 1.06 0.00 0.00 176.91 177.35 2dbf h ASP 61 N 0.07 0.38 0.75 1.22 5.19 -1.38 -1.10 116.42 121.55 2dbf h ASP 61 Ca 0.01 -0.18 -0.25 0.00 -0.62 0.00 0.00 57.03 55.99 2dbf h ASP 61 Cb 0.62 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 40.00 2dbf h ASP 61 CO 0.05 0.79 -1.28 0.78 -3.12 0.00 0.00 179.24 176.45 2dbf h ASN 62 N 0.29 0.10 0.63 6.45 2.35 -0.84 -3.06 115.58 121.50 2dbf h ASN 62 Ca 0.02 -0.13 -0.16 0.00 -0.55 0.00 0.00 56.30 55.48 2dbf h ASN 62 Cb 0.92 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 2dbf h ASN 62 CO 0.08 1.10 -0.75 0.22 -1.65 0.00 0.00 177.43 176.43 2dbf h TYR 63 N 0.02 0.13 -0.05 1.19 3.20 -1.01 -3.04 116.97 117.41 2dbf h TYR 63 Ca -0.13 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.59 2dbf h TYR 63 Cb 1.89 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 40.14 2dbf h TYR 63 CO 0.02 0.81 -0.31 1.49 -1.64 0.00 0.00 178.16 178.52 2dbf h GLU 64 N 0.06 0.30 -0.06 1.82 4.81 -1.29 -2.09 114.58 118.13 2dbf h GLU 64 Ca -0.02 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 58.97 2dbf h GLU 64 Cb 1.32 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.76 2dbf h GLU 64 CO 0.11 0.91 0.05 0.28 -0.73 0.00 0.00 179.01 179.63 2dbf h VAL 65 N -0.23 0.76 -0.79 0.32 2.07 -1.59 -1.66 116.25 115.13 2dbf h VAL 65 Ca -0.02 0.00 -0.53 0.00 0.82 0.00 0.00 66.70 66.97 2dbf h VAL 65 Cb 0.98 0.96 -0.23 0.00 -1.52 0.00 0.00 31.29 31.48 2dbf h VAL 65 CO 0.06 0.00 0.68 -0.24 0.02 0.00 0.00 177.57 178.09 2dbf n SER 66 N -4.21 6.88 -3.07 0.57 2.88 -1.15 -4.88 113.62 110.64 2dbf n SER 66 Ca -0.02 -3.48 -0.00 0.00 -1.33 0.00 0.00 58.87 54.04 2dbf n SER 66 Cb 0.15 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 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 -0.46 -1.24 3.75 0.46 0.00 -0.64 -4.90 105.19 102.17 2dbf n GLY 67 Ca 0.50 0.47 -0.37 0.00 0.00 0.00 0.00 46.02 46.62 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 -3.00 2.79 0.06 -0.02 0.00 -0.79 -3.28 107.32 103.07 2dbf s GLY 68 Ca 0.00 1.08 0.04 0.00 0.00 0.00 0.00 44.72 45.84 2dbf s GLY 68 CO 0.75 1.51 -0.12 -0.51 0.00 0.00 0.00 173.10 174.73 2dbf s THR 69 N -1.51 0.95 0.07 0.90 -4.23 -1.26 0.21 115.64 110.77 2dbf s THR 69 Ca 0.74 -1.18 -0.01 0.00 -1.18 0.00 0.00 61.69 60.06 2dbf s THR 69 Cb -0.33 -0.93 -0.27 0.00 1.34 0.00 0.00 72.50 72.32 2dbf s THR 69 CO 0.37 -0.22 1.12 0.58 -0.54 0.00 0.00 174.62 175.92 2dbf h VAL 70 N 4.39 1.48 -0.47 2.29 2.07 -1.97 -3.13 116.25 120.91 2dbf h VAL 70 Ca -0.39 -3.09 0.03 0.00 0.82 0.00 0.00 66.70 64.07 2dbf h VAL 70 Cb 1.19 2.89 -0.03 0.00 -1.52 0.00 0.00 31.29 33.83 2dbf h VAL 70 CO 0.41 0.89 0.31 0.03 0.02 0.00 0.00 177.57 179.24 2dbf h ARG 71 N 0.06 0.53 0.01 1.57 2.47 -1.96 -1.29 114.38 115.76 2dbf h ARG 71 Ca -0.13 -0.03 -0.21 0.00 -1.26 0.00 0.00 59.98 58.35 2dbf h ARG 71 Cb 1.94 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 30.11 2dbf h ARG 71 CO 0.18 0.35 -1.00 0.93 0.56 0.00 0.00 179.97 180.99 2dbf h GLU 72 N 0.54 0.02 -0.45 0.04 5.08 -1.99 -2.88 114.58 114.94 2dbf h GLU 72 Ca 0.19 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.43 2dbf h GLU 72 Cb 0.08 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2dbf h GLU 72 CO -0.05 1.00 -0.08 1.25 -1.00 0.00 0.00 179.01 180.13 2dbf h LEU 73 N 0.01 0.85 -0.62 1.33 5.85 -1.21 0.32 115.31 121.83 2dbf h LEU 73 Ca -0.02 -0.35 -0.15 0.00 0.84 0.00 0.00 57.88 58.20 2dbf h LEU 73 Cb 1.75 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 2dbf h LEU 73 CO 0.13 1.01 -0.66 0.58 -0.34 0.00 0.00 178.44 179.16 2dbf h VAL 74 N 0.69 1.43 0.02 1.05 2.07 -1.38 -2.44 116.25 117.69 2dbf h VAL 74 Ca 0.12 -2.16 -0.04 0.00 0.82 0.00 0.00 66.70 65.44 2dbf h VAL 74 Cb 0.62 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2dbf h VAL 74 CO 0.04 0.63 -0.19 -0.33 0.02 0.00 0.00 177.57 177.74 2dbf h GLU 75 N 0.10 0.09 -0.24 1.57 4.39 -1.36 -2.90 114.58 116.23 2dbf h GLU 75 Ca -0.01 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.57 2dbf h GLU 75 Cb 1.17 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 2dbf h GLU 75 CO 0.10 0.97 0.16 0.00 -1.16 0.00 0.00 179.01 179.08 2dbf h ALA 76 N 0.13 1.85 -0.01 3.43 0.00 -0.43 0.36 119.26 124.59 2dbf h ALA 76 Ca -0.03 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2dbf h ALA 76 Cb 1.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2dbf h ALA 76 CO 0.04 0.13 -0.72 -0.07 0.00 0.00 0.00 179.25 178.63 2dbf h LEU 77 N 0.31 0.11 0.06 0.00 3.38 -1.51 -3.00 115.31 114.66 2dbf h LEU 77 Ca 0.09 -0.08 -0.26 0.00 0.09 0.00 0.00 57.88 57.72 2dbf h LEU 77 Cb -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2dbf h LEU 77 CO -0.02 0.80 -1.17 -0.09 0.09 0.00 0.00 178.44 178.04 2dbf h ARG 78 N 0.06 0.27 -0.40 1.13 2.43 -1.03 0.75 114.38 117.59 2dbf h ARG 78 Ca -0.02 -0.43 -0.05 0.00 -0.81 0.00 0.00 59.98 58.67 2dbf h ARG 78 Cb 1.28 0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.96 2dbf h ARG 78 CO 0.10 1.18 0.03 1.96 -1.51 0.00 0.00 179.97 181.74 2dbf h GLN 79 N 0.09 0.63 0.03 0.20 4.20 -0.97 -3.27 115.11 116.01 2dbf h GLN 79 Ca -0.12 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.46 2dbf h GLN 79 Cb 1.89 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.58 2dbf h GLN 79 CO 0.19 0.62 -0.01 0.52 -0.67 0.00 0.00 178.83 179.48 2dbf h MET 80 N 0.60 -0.03 0.00 1.46 2.86 -1.58 -3.49 114.93 114.75 2dbf h MET 80 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 2dbf h MET 80 Cb 0.33 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.00 2dbf h MET 80 CO 0.01 -0.02 0.00 0.41 1.06 0.00 0.00 176.91 178.37 2dbf n GLY 81 N 1.69 0.00 3.60 8.32 0.00 -0.91 -4.90 105.19 112.99 2dbf n GLY 81 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 3.10 -0.10 1.61 2.02 0.21 -4.94 117.35 119.25 2dbf s TYR 82 Ca 0.00 -0.03 -0.00 0.00 -0.37 0.00 0.00 57.07 56.67 2dbf s TYR 82 Cb 0.00 -1.89 -0.06 0.00 -0.40 0.00 0.00 41.96 39.60 2dbf s TYR 82 CO 0.00 0.21 -0.10 2.41 -1.57 0.00 0.00 175.55 176.51 2dbf n THR 83 N 2.90 0.58 0.06 -0.71 -1.04 -1.26 -4.48 114.28 110.34 2dbf n THR 83 Ca -0.18 -0.21 -0.15 0.00 -2.04 0.00 0.00 64.05 61.47 2dbf n THR 83 Cb 0.53 -0.99 -0.06 0.00 -1.82 0.00 0.00 70.33 67.98 2dbf n THR 83 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2dbf h GLU 84 N -0.07 0.50 -0.30 -2.82 5.08 -1.99 -2.45 114.58 112.53 2dbf h GLU 84 Ca -0.23 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 57.58 2dbf h GLU 84 Cb 1.33 0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 2dbf h GLU 84 CO -0.06 1.17 0.15 0.00 -1.00 0.00 0.00 179.01 179.27 2dbf h ALA 85 N 0.64 1.70 0.06 3.43 0.00 -1.98 -1.50 119.26 121.61 2dbf h ALA 85 Ca -0.09 -0.06 -0.26 0.00 0.00 0.00 0.00 54.91 54.49 2dbf h ALA 85 Cb 1.61 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 2dbf h ALA 85 CO 0.18 0.25 -1.31 0.82 0.00 0.00 0.00 179.25 179.19 2dbf h ILE 86 N 0.42 1.38 -0.33 0.00 2.04 -1.77 -3.32 117.51 115.93 2dbf h ILE 86 Ca 0.11 -3.07 -0.09 0.00 1.00 0.00 0.00 64.86 62.82 2dbf h ILE 86 Cb 0.04 2.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.88 2dbf h ILE 86 CO -0.02 0.84 -0.15 -0.33 0.00 0.00 0.00 178.15 178.49 2dbf h GLU 87 N 0.03 0.59 -0.07 2.37 5.08 -0.92 -2.18 114.58 119.49 2dbf h GLU 87 Ca -0.14 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.04 2dbf h GLU 87 Cb 1.92 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 31.11 2dbf h GLU 87 CO 0.15 0.72 0.05 0.28 -1.00 0.00 0.00 179.01 179.21 2dbf h VAL 88 N 0.53 0.97 0.11 3.13 2.07 -1.38 0.40 116.25 122.08 2dbf h VAL 88 Ca 0.09 -0.00 -0.24 0.00 0.82 0.00 0.00 66.70 67.37 2dbf h VAL 88 Cb 0.57 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2dbf h VAL 88 CO 0.04 0.00 -1.19 0.40 0.02 0.00 0.00 177.57 176.83 2dbf h ILE 89 N 0.01 1.18 -0.19 4.57 2.04 -1.60 -3.30 117.51 120.22 2dbf h ILE 89 Ca 0.03 -2.43 -0.09 0.00 1.00 0.00 0.00 64.86 63.38 2dbf h ILE 89 Cb 0.13 2.85 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 2dbf h ILE 89 CO -0.00 0.69 -0.28 1.56 0.00 0.00 0.00 178.15 180.12 2dbf h GLN 90 N -0.38 0.37 -0.77 2.37 4.20 -1.05 -0.20 115.11 119.65 2dbf h GLN 90 Ca -0.25 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.33 2dbf h GLN 90 Cb 1.68 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 29.40 2dbf h GLN 90 CO 0.07 0.62 0.50 0.00 -0.67 0.00 0.00 178.83 179.35 2dbf h ALA 91 N 1.39 0.98 0.00 3.87 0.00 -0.34 -3.23 119.26 121.92 2dbf h ALA 91 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2dbf h ALA 91 Cb 0.66 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2dbf h ALA 91 CO 0.05 0.37 -0.09 0.00 0.00 0.00 0.00 179.25 179.58 2dbf h ALA 92 N 1.29 0.01 -2.36 0.00 0.00 -1.60 -3.45 119.26 113.16 2dbf h ALA 92 Ca 0.29 -0.37 -0.55 0.00 0.00 0.00 0.00 54.91 54.28 2dbf h ALA 92 Cb -0.09 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2dbf h ALA 92 CO -0.07 0.06 0.54 0.45 0.00 0.00 0.00 179.25 180.23 2dbf s SER 93 N -6.01 7.20 -0.22 0.00 0.15 -0.10 -5.00 113.70 109.72 2dbf s SER 93 Ca -0.13 1.73 -0.29 0.00 0.70 0.00 0.00 55.95 57.96 2dbf s SER 93 Cb -0.01 -2.56 0.15 0.00 -1.71 0.00 0.00 66.02 61.88 2dbf s SER 93 CO 0.43 -0.43 1.14 -0.44 1.20 0.00 0.00 173.24 175.14 2dbf s SER 94 N 1.16 -0.25 -0.23 5.45 0.01 -1.26 -4.55 113.70 114.03 2dbf s SER 94 Ca 0.53 0.30 0.03 0.00 1.31 0.00 0.00 55.95 58.12 2dbf s SER 94 Cb -0.23 0.24 -0.16 0.00 0.21 0.00 0.00 66.02 66.09 2dbf s SER 94 CO 0.24 -0.21 -0.19 -1.20 0.41 0.00 0.00 173.24 172.29 2dbf n SER 95 N 0.82 2.06 -4.09 2.44 7.64 -1.26 -5.00 113.62 116.23 2dbf n SER 95 Ca -0.07 -0.12 -0.20 0.00 1.01 0.00 0.00 58.87 59.49 2dbf n SER 95 Cb 0.58 -0.28 -0.14 0.00 -1.01 0.00 0.00 64.21 63.36 2dbf n SER 95 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dbf s GLY 96 N -6.20 0.63 0.17 0.23 0.00 -1.26 -5.13 107.32 95.76 2dbf s GLY 96 Ca -0.30 -0.59 -0.30 0.00 0.00 0.00 0.00 44.72 43.53 2dbf s GLY 96 CO 0.56 -0.53 1.13 2.56 0.00 0.00 0.00 173.10 176.83 2dbf s PRO 97 N -0.52 4.55 -0.30 2.90 0.04 -1.26 -5.03 135.00 135.38 2dbf s PRO 97 Ca 0.03 1.77 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 2dbf s PRO 97 Cb -0.05 -3.27 0.13 0.00 0.04 0.00 0.00 34.50 31.35 2dbf s PRO 97 CO -0.00 0.01 0.74 -1.54 0.04 0.00 0.00 177.00 176.25 2dbf s SER 98 N 0.02 -0.97 -0.92 6.66 1.04 -1.26 -5.09 113.70 113.19 2dbf s SER 98 Ca 0.51 1.37 -0.25 0.00 0.48 0.00 0.00 55.95 58.06 2dbf s SER 98 Cb -0.30 1.96 -0.08 0.00 0.10 0.00 0.00 66.02 67.70 2dbf s SER 98 CO 0.35 -0.20 2.04 -0.55 0.98 0.00 0.00 173.24 175.87 2dbf s SER 99 N 2.51 4.82 0.00 7.02 0.15 -1.26 -5.25 113.70 121.70 2dbf s SER 99 Ca -0.06 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 55.94 2dbf s SER 99 Cb -0.09 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2dbf s SER 99 CO -0.19 -3.07 0.00 0.61 1.20 0.00 0.00 173.24 171.79