#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 -2.73 -3.58 1.61 2.88 -1.26 -5.01 113.62 105.53 2dbf n SER 2 Ca 0.00 1.35 -0.28 0.00 -1.33 0.00 0.00 58.87 58.61 2dbf n SER 2 Cb 0.00 -5.21 0.22 0.00 -0.75 0.00 0.00 64.21 58.47 2dbf n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dbf n SER 3 N 1.36 -1.36 -0.79 -3.46 7.64 -1.26 -4.93 113.62 110.81 2dbf n SER 3 Ca -0.29 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.37 2dbf n SER 3 Cb 0.44 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 2dbf n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbf n GLY 4 N -3.94 -2.39 0.10 0.23 0.00 -1.26 -5.06 105.19 92.88 2dbf n GLY 4 Ca 0.15 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 2dbf n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dbf n SER 5 N 0.00 3.34 -4.74 1.61 3.41 -1.26 -5.02 113.62 110.96 2dbf n SER 5 Ca 0.00 -0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 2dbf n SER 5 Cb 0.00 -0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 2dbf n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dbf s SER 6 N -4.51 6.63 1.09 4.04 0.15 -1.26 -4.83 113.70 115.01 2dbf s SER 6 Ca -0.06 2.66 -0.14 0.00 0.70 0.00 0.00 55.95 59.11 2dbf s SER 6 Cb 0.02 -2.62 0.23 0.00 -1.71 0.00 0.00 66.02 61.94 2dbf s SER 6 CO 0.10 -0.74 1.08 -0.83 1.20 0.00 0.00 173.24 174.05 2dbf s GLY 7 N 0.56 1.56 -0.30 9.45 0.00 -1.26 -4.96 107.32 112.36 2dbf s GLY 7 Ca 0.62 -0.50 0.15 0.00 0.00 0.00 0.00 44.72 44.99 2dbf s GLY 7 CO 0.41 0.21 1.11 1.22 0.00 0.00 0.00 173.10 176.05 2dbf n ASP 8 N -4.48 2.96 -0.01 1.64 8.00 0.12 -4.79 116.55 119.98 2dbf n ASP 8 Ca 0.07 -2.84 -0.02 0.00 0.71 0.00 0.00 54.79 52.71 2dbf n ASP 8 Cb 0.58 -0.44 -0.12 0.00 -0.02 0.00 0.00 41.12 41.12 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 -0.55 0.64 -0.24 -1.24 2.81 -0.10 -3.53 117.12 114.90 2dbf n MET 9 Ca 0.22 0.12 0.08 0.00 -1.81 0.00 0.00 57.70 56.31 2dbf n MET 9 Cb 0.84 -1.70 0.33 0.00 -0.71 0.00 0.00 33.22 31.98 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 0.78 -0.11 0.03 3.64 -1.86 -0.03 116.57 119.01 2dbf h LYS 10 Ca -0.24 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 2dbf h LYS 10 Cb 1.69 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.33 2dbf h LYS 10 CO 0.04 0.52 0.05 -0.56 -2.27 0.00 0.00 179.45 177.22 2dbf h GLN 11 N 0.80 0.15 -6.25 1.90 3.07 -1.96 -3.41 115.11 109.42 2dbf h GLN 11 Ca 0.38 -0.01 -0.56 0.00 0.09 0.00 0.00 58.65 58.55 2dbf h GLN 11 Cb 0.41 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 27.92 2dbf h GLN 11 CO -0.15 0.13 0.85 -0.51 0.09 0.00 0.00 178.83 179.24 2dbf s LEU 12 N -9.13 4.25 0.66 0.06 1.43 -0.03 -5.00 118.68 110.93 2dbf s LEU 12 Ca -0.06 1.86 -0.16 0.00 -1.03 0.00 0.00 54.13 54.74 2dbf s LEU 12 Cb 0.17 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.84 2dbf s LEU 12 CO 0.69 -0.72 1.17 0.00 0.23 0.00 0.00 176.35 177.73 2dbf s ALA 13 N 2.97 2.36 0.21 4.21 0.00 -1.26 -4.89 121.76 125.36 2dbf s ALA 13 Ca 0.59 0.80 -0.10 0.00 0.00 0.00 0.00 51.96 53.25 2dbf s ALA 13 Cb -0.25 -3.41 0.17 0.00 0.00 0.00 0.00 23.12 19.62 2dbf s ALA 13 CO 0.20 -1.46 1.88 1.49 0.00 0.00 0.00 175.76 177.88 2dbf h GLU 14 N 0.17 1.03 -0.41 0.00 4.81 -1.94 -2.04 114.58 116.21 2dbf h GLU 14 Ca -0.48 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 58.64 2dbf h GLU 14 Cb 1.28 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 2dbf h GLU 14 CO 0.53 0.69 0.06 -0.44 -0.73 0.00 0.00 179.01 179.12 2dbf h ASP 15 N 1.06 0.59 -0.54 1.04 3.32 -1.98 0.14 116.42 120.04 2dbf h ASP 15 Ca 0.29 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 2dbf h ASP 15 Cb -0.11 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.26 2dbf h ASP 15 CO -0.06 0.62 0.07 0.58 -1.72 0.00 0.00 179.24 178.72 2dbf h VAL 16 N 0.61 1.25 0.03 -1.35 2.07 -1.73 -2.70 116.25 114.42 2dbf h VAL 16 Ca 0.13 -1.01 -0.23 0.00 0.82 0.00 0.00 66.70 66.41 2dbf h VAL 16 Cb 0.29 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 2dbf h VAL 16 CO 0.00 0.37 -1.12 0.11 0.02 0.00 0.00 177.57 176.95 2dbf h LYS 17 N 0.90 0.05 -0.98 1.57 1.57 -1.03 -3.27 116.57 115.39 2dbf h LYS 17 Ca 0.18 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2dbf h LYS 17 Cb 0.43 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 2dbf h LYS 17 CO 0.01 1.00 0.65 -0.07 -0.57 0.00 0.00 179.45 180.47 2dbf h LEU 18 N 0.01 1.12 -0.96 2.94 3.38 -0.54 -1.81 115.31 119.45 2dbf h LEU 18 Ca -0.06 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 2dbf h LEU 18 Cb 1.83 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 2dbf h LEU 18 CO 0.14 0.80 -0.45 1.56 0.09 0.00 0.00 178.44 180.58 2dbf h GLN 19 N 1.31 0.14 -0.46 1.13 4.20 -1.56 -2.91 115.11 116.95 2dbf h GLN 19 Ca 0.36 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 2dbf h GLN 19 Cb -0.13 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 2dbf h GLN 19 CO -0.08 0.57 0.23 -0.07 -0.67 0.00 0.00 178.83 178.81 2dbf h LEU 20 N 0.11 0.57 -0.62 1.46 3.38 -1.38 -2.37 115.31 116.47 2dbf h LEU 20 Ca 0.01 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2dbf h LEU 20 Cb 0.85 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2dbf h LEU 20 CO 0.07 0.48 0.27 1.88 0.09 0.00 0.00 178.44 181.23 2dbf h TYR 21 N 0.65 0.91 -0.67 1.13 0.05 -1.34 -0.17 116.97 117.54 2dbf h TYR 21 Ca 0.16 -0.06 -0.06 0.00 0.05 0.00 0.00 58.73 58.83 2dbf h TYR 21 Cb 0.05 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.49 2dbf h TYR 21 CO 0.00 0.71 0.19 0.87 -1.05 0.00 0.00 178.16 178.88 2dbf h LYS 22 N 0.85 1.04 0.28 4.88 1.57 -1.50 -0.68 116.57 123.02 2dbf h LYS 22 Ca 0.21 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2dbf h LYS 22 Cb 0.16 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2dbf h LYS 22 CO -0.02 0.91 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.56 2dbf h LEU 23 N 1.00 -0.32 -2.43 2.94 3.38 -1.14 -3.10 115.31 115.64 2dbf h LEU 23 Ca 0.22 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2dbf h LEU 23 Cb 0.32 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2dbf h LEU 23 CO -0.00 0.11 0.03 -0.07 0.09 0.00 0.00 178.44 178.60 2dbf h LEU 24 N -0.83 0.00 -2.17 1.67 3.38 -1.02 -1.41 115.31 114.94 2dbf h LEU 24 Ca -0.04 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.00 2dbf h LEU 24 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2dbf h LEU 24 CO 0.06 0.00 0.25 -0.08 0.09 0.00 0.00 178.44 178.77 2dbf h GLU 25 N 0.00 0.00 -6.23 1.13 4.81 -1.03 -0.55 114.58 112.70 2dbf h GLU 25 Ca 0.01 0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.68 2dbf h GLU 25 Cb 0.08 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2dbf h GLU 25 CO -0.00 0.00 1.24 0.42 -0.73 0.00 0.00 179.01 179.94 2dbf s ILE 26 N -4.65 3.38 -1.02 2.32 1.01 -0.53 -4.87 121.20 116.84 2dbf s ILE 26 Ca -0.05 0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.92 2dbf s ILE 26 Cb 0.15 -3.39 -0.08 0.00 0.01 0.00 0.00 42.46 39.16 2dbf s ILE 26 CO 0.55 -0.17 2.18 -0.81 0.00 0.00 0.00 174.94 176.70 2dbf n PRO 27 N 7.91 2.22 -4.49 2.79 -0.04 -1.26 -3.30 135.00 138.83 2dbf n PRO 27 Ca 0.22 -1.76 -0.34 0.00 -0.04 0.00 0.00 63.50 61.58 2dbf n PRO 27 Cb 0.44 -2.69 -0.10 0.00 -0.04 0.00 0.00 33.50 31.11 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 3.64 4.84 0.44 3.54 1.01 -1.25 -4.95 116.67 123.94 2dbf s ASP 28 Ca 0.49 -0.01 0.19 0.00 0.71 0.00 0.00 52.55 53.93 2dbf s ASP 28 Cb 0.13 -1.24 1.13 0.00 1.01 0.00 0.00 42.92 43.95 2dbf s ASP 28 CO -0.00 0.34 1.88 -0.65 0.21 0.00 0.00 175.17 176.95 2dbf h PRO 29 N 4.94 0.34 -0.02 8.23 0.11 -1.98 -1.10 132.00 142.52 2dbf h PRO 29 Ca -0.49 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 2dbf h PRO 29 Cb 1.18 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 2dbf h PRO 29 CO 0.54 0.22 -0.54 -0.25 -0.21 0.00 0.00 178.00 177.76 2dbf n ASP 30 N -4.47 1.75 -2.39 -2.05 9.92 -1.26 -4.68 116.55 113.36 2dbf n ASP 30 Ca 0.17 -3.79 -0.02 0.00 -0.53 0.00 0.00 54.79 50.63 2dbf n ASP 30 Cb 0.67 -0.51 0.10 0.00 -0.64 0.00 0.00 41.12 40.74 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 -1.01 1.04 -4.43 -1.24 5.02 -0.52 -4.30 118.16 112.72 2dbf n LYS 31 Ca 0.19 -0.92 -0.25 0.00 -2.02 0.00 0.00 58.31 55.31 2dbf n LYS 31 Cb 0.72 0.33 -0.10 0.00 -0.02 0.00 0.00 35.03 35.96 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 -0.86 3.72 0.13 4.39 3.04 -0.58 -3.81 114.94 120.98 2dbf s ASN 32 Ca 0.07 -0.93 -0.14 0.00 0.04 0.00 0.00 52.86 51.90 2dbf s ASN 32 Cb 0.34 -0.39 -0.00 0.00 -1.54 0.00 0.00 41.25 39.66 2dbf s ASN 32 CO -0.10 0.05 1.60 4.11 -3.04 0.00 0.00 177.10 179.72 2dbf h TRP 33 N 2.42 0.79 -0.66 0.43 5.08 -1.31 -2.82 115.95 119.88 2dbf h TRP 33 Ca -0.42 -0.12 0.04 0.00 1.08 0.00 0.00 58.89 59.47 2dbf h TRP 33 Cb 1.25 -0.21 -0.04 0.00 -3.00 0.00 0.00 29.16 27.16 2dbf h TRP 33 CO 0.76 0.77 0.43 0.00 -1.28 0.00 0.00 178.44 179.12 2dbf h ALA 34 N 0.92 1.66 -0.47 0.11 0.00 -1.95 -1.61 119.26 117.92 2dbf h ALA 34 Ca 0.13 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2dbf h ALA 34 Cb 0.42 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2dbf h ALA 34 CO 0.01 0.26 -0.09 1.15 0.00 0.00 0.00 179.25 180.58 2dbf h THR 35 N 0.76 1.26 -0.09 0.00 2.02 -1.86 -2.73 112.91 112.28 2dbf h THR 35 Ca 0.27 -1.18 -0.08 0.00 0.77 0.00 0.00 66.41 66.19 2dbf h THR 35 Cb 0.11 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2dbf h THR 35 CO -0.08 0.41 -0.33 0.25 0.37 0.00 0.00 175.52 176.14 2dbf h LEU 36 N 0.77 0.17 -0.98 2.58 5.85 -1.08 -2.85 115.31 119.76 2dbf h LEU 36 Ca 0.13 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2dbf h LEU 36 Cb 0.59 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 2dbf h LEU 36 CO 0.04 0.50 0.33 0.00 -0.34 0.00 0.00 178.44 178.96 2dbf h ALA 37 N 1.52 1.20 -0.06 1.25 0.00 -1.10 -0.08 119.26 121.98 2dbf h ALA 37 Ca 0.02 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2dbf h ALA 37 Cb 0.67 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2dbf h ALA 37 CO 0.05 0.60 -0.37 1.96 0.00 0.00 0.00 179.25 181.49 2dbf h GLN 38 N 1.05 0.11 0.01 0.00 4.20 -1.44 0.63 115.11 119.66 2dbf h GLN 38 Ca 0.25 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 2dbf h GLN 38 Cb 0.15 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2dbf h GLN 38 CO -0.03 0.47 -0.08 0.87 -0.67 0.00 0.00 178.83 179.39 2dbf h LYS 39 N 0.10 0.05 -0.63 1.46 6.56 -1.33 -3.31 116.57 119.47 2dbf h LYS 39 Ca 0.01 -0.06 -0.01 0.00 -1.06 0.00 0.00 60.65 59.53 2dbf h LYS 39 Cb 0.70 0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 32.35 2dbf h LYS 39 CO 0.05 0.89 0.34 -0.07 -2.06 0.00 0.00 179.45 178.61 2dbf h LEU 40 N -0.78 0.77 0.00 2.94 3.38 -1.02 -3.47 115.31 117.14 2dbf h LEU 40 Ca -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2dbf h LEU 40 Cb 0.93 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2dbf h LEU 40 CO 0.02 0.63 0.00 0.61 0.09 0.00 0.00 178.44 179.79 2dbf n GLY 41 N -1.24 1.68 0.92 0.83 0.00 -0.48 -5.04 105.19 101.86 2dbf n GLY 41 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.11 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 2.64 0.22 0.99 4.77 0.21 -4.77 117.00 121.06 2dbf n LEU 42 Ca 0.00 -3.68 0.07 0.00 -0.03 0.00 0.00 56.01 52.37 2dbf n LEU 42 Cb 0.00 -0.41 0.53 0.00 -2.33 0.00 0.00 43.42 41.21 2dbf n LEU 42 CO 0.00 1.33 0.86 1.23 -1.33 0.00 0.00 177.39 179.48 2dbf h GLY 43 N 1.15 0.00 2.00 -0.72 0.00 -1.83 -2.38 103.07 101.28 2dbf h GLY 43 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2dbf h GLY 43 CO 0.09 0.00 -0.23 1.19 0.00 0.00 0.00 176.54 177.60 2dbf h ILE 44 N 0.00 1.11 -0.48 2.60 6.09 -1.92 -2.52 117.51 122.40 2dbf h ILE 44 Ca -0.00 -0.79 -0.26 0.00 -1.37 0.00 0.00 64.86 62.44 2dbf h ILE 44 Cb 0.46 1.43 -0.16 0.00 0.47 0.00 0.00 36.82 39.02 2dbf h ILE 44 CO 0.03 0.22 0.02 0.18 -3.07 0.00 0.00 178.15 175.53 2dbf n LEU 45 N -4.20 4.66 0.09 2.19 4.77 -0.91 -4.60 117.00 118.99 2dbf n LEU 45 Ca -0.02 -3.83 -0.07 0.00 -0.03 0.00 0.00 56.01 52.05 2dbf n LEU 45 Cb 0.29 -0.67 0.02 0.00 -2.33 0.00 0.00 43.42 40.73 2dbf n LEU 45 CO 0.36 1.29 0.30 -1.13 -1.33 0.00 0.00 177.39 176.89 2dbf h ASN 46 N 1.08 0.21 0.47 -1.43 -0.73 -1.27 -3.12 115.58 110.80 2dbf h ASN 46 Ca 0.30 -0.16 -0.13 0.00 1.87 0.00 0.00 56.30 58.18 2dbf h ASN 46 Cb 1.80 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 40.31 2dbf h ASN 46 CO 0.55 0.94 -0.58 -1.13 -0.37 0.00 0.00 177.43 176.83 2dbf h ASN 47 N 0.10 0.13 -0.24 1.15 -0.00 -1.81 -2.94 115.58 111.96 2dbf h ASN 47 Ca -0.03 -0.07 -0.05 0.00 -0.00 0.00 0.00 56.30 56.15 2dbf h ASN 47 Cb 1.42 -0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 39.69 2dbf h ASN 47 CO 0.12 0.68 -0.03 0.00 -0.00 0.00 0.00 177.43 178.20 2dbf h ALA 48 N 1.32 0.33 -0.78 1.57 0.00 -1.88 -2.76 119.26 117.07 2dbf h ALA 48 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2dbf h ALA 48 Cb 1.05 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2dbf h ALA 48 CO 0.08 0.10 0.44 0.74 0.00 0.00 0.00 179.25 180.61 2dbf h PHE 49 N 0.20 1.04 -0.13 0.00 0.04 -1.53 -1.51 116.94 115.06 2dbf h PHE 49 Ca 0.06 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.83 2dbf h PHE 49 Cb 0.47 -0.34 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 2dbf h PHE 49 CO 0.04 0.72 0.07 -0.09 -0.60 0.00 0.00 178.31 178.45 2dbf h ARG 50 N 1.08 0.15 -0.18 1.51 1.12 -1.41 -2.39 114.38 114.26 2dbf h ARG 50 Ca 0.28 -0.01 -0.06 0.00 -1.11 0.00 0.00 59.98 59.08 2dbf h ARG 50 Cb 0.01 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 29.92 2dbf h ARG 50 CO -0.05 0.10 -0.16 -0.07 -3.11 0.00 0.00 179.97 176.68 2dbf h LEU 51 N 0.15 0.28-10.26 3.80 3.38 -1.19 -3.44 115.31 108.03 2dbf h LEU 51 Ca 0.05 -0.07 -0.52 0.00 0.09 0.00 0.00 57.88 57.43 2dbf h LEU 51 Cb -0.00 -0.07 0.18 0.00 0.09 0.00 0.00 40.66 40.85 2dbf h LEU 51 CO -0.03 0.47 0.27 -0.44 0.09 0.00 0.00 178.44 178.80 2dbf s SER 52 N -6.85 3.41 0.24 -0.43 0.01 -0.59 -4.93 113.70 104.55 2dbf s SER 52 Ca -0.06 2.18 -0.04 0.00 1.31 0.00 0.00 55.95 59.34 2dbf s SER 52 Cb 0.15 -2.57 0.26 0.00 0.21 0.00 0.00 66.02 64.08 2dbf s SER 52 CO 0.75 -2.78 1.75 1.55 0.41 0.00 0.00 173.24 174.91 2dbf h PRO 53 N -1.44 0.91 -2.94 12.44 0.13 -1.85 -3.36 132.00 135.89 2dbf h PRO 53 Ca -0.44 -0.24 -0.61 0.00 -0.87 0.00 0.00 66.00 63.84 2dbf h PRO 53 Cb 1.27 -0.11 -0.40 0.00 0.13 0.00 0.00 31.00 31.89 2dbf h PRO 53 CO 0.45 0.87 -0.72 0.00 -0.23 0.00 0.00 178.00 178.36 2dbf s ALA 54 N -5.09 2.59 0.16 -0.56 0.00 -1.26 -4.99 121.76 112.61 2dbf s ALA 54 Ca -0.10 -2.98 -0.17 0.00 0.00 0.00 0.00 51.96 48.70 2dbf s ALA 54 Cb 0.15 -1.94 0.09 0.00 0.00 0.00 0.00 23.12 21.42 2dbf s ALA 54 CO 0.82 -2.05 1.67 -1.35 0.00 0.00 0.00 175.76 174.85 2dbf h PRO 55 N 6.13 -0.01 -0.87 0.00 0.11 -1.72 0.51 132.00 136.16 2dbf h PRO 55 Ca 0.08 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.19 2dbf h PRO 55 Cb 0.87 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.94 2dbf h PRO 55 CO 0.55 -0.00 0.56 0.66 -0.21 0.00 0.00 178.00 179.55 2dbf h SER 56 N -0.01 1.01 -0.18 -2.05 4.64 -1.92 -1.00 113.55 114.04 2dbf h SER 56 Ca 0.19 -0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.40 2dbf h SER 56 Cb 0.29 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2dbf h SER 56 CO -0.41 0.74 -0.16 0.50 -0.87 0.00 0.00 176.83 176.64 2dbf h LYS 57 N 1.18 0.42 -0.16 4.77 3.64 -1.69 -3.03 116.57 121.69 2dbf h LYS 57 Ca 0.32 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 2dbf h LYS 57 Cb -0.11 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2dbf h LYS 57 CO -0.07 0.77 0.11 1.15 -2.27 0.00 0.00 179.45 179.14 2dbf h THR 58 N 0.07 1.02 0.35 1.00 2.02 0.23 -2.50 112.91 115.10 2dbf h THR 58 Ca 0.03 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 2dbf h THR 58 Cb 0.69 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 2dbf h THR 58 CO 0.04 0.03 -0.17 0.25 0.37 0.00 0.00 175.52 176.05 2dbf h LEU 59 N 0.19 -0.40 -1.95 2.58 5.85 -1.07 -1.68 115.31 118.83 2dbf h LEU 59 Ca 0.06 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2dbf h LEU 59 Cb 0.02 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 2dbf h LEU 59 CO -0.01 -0.22 0.01 0.24 -0.34 0.00 0.00 178.44 178.12 2dbf h MET 60 N -0.54 0.04 -0.02 1.25 2.86 -1.43 0.22 114.93 117.30 2dbf h MET 60 Ca -0.05 -0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.47 2dbf h MET 60 Cb 0.41 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.04 2dbf h MET 60 CO 0.08 0.04 -0.55 -0.44 1.06 0.00 0.00 176.91 177.09 2dbf h ASP 61 N 0.04 0.06 0.54 1.22 5.19 -1.08 -1.26 116.42 121.14 2dbf h ASP 61 Ca 0.01 -0.03 -0.28 0.00 -0.62 0.00 0.00 57.03 56.10 2dbf h ASP 61 Cb 0.01 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.46 2dbf h ASP 61 CO -0.00 0.60 -1.61 0.78 -3.12 0.00 0.00 179.24 175.89 2dbf h ASN 62 N 0.04 0.05 0.29 6.45 2.35 -0.26 -3.30 115.58 121.20 2dbf h ASN 62 Ca -0.00 -0.10 -0.19 0.00 -0.55 0.00 0.00 56.30 55.46 2dbf h ASN 62 Cb 0.99 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.34 2dbf h ASN 62 CO 0.08 1.09 -0.76 0.22 -1.65 0.00 0.00 177.43 176.40 2dbf h TYR 63 N 0.01 0.53 -0.10 1.19 3.20 -0.59 -2.40 116.97 118.82 2dbf h TYR 63 Ca -0.25 -0.25 -0.01 0.00 3.14 0.00 0.00 58.73 61.37 2dbf h TYR 63 Cb 1.98 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 40.17 2dbf h TYR 63 CO 0.01 1.01 0.04 1.49 -1.64 0.00 0.00 178.16 179.06 2dbf h GLU 64 N 0.26 0.15 0.00 1.82 4.81 -1.37 -1.11 114.58 119.14 2dbf h GLU 64 Ca -0.04 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 2dbf h GLU 64 Cb 1.34 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 2dbf h GLU 64 CO 0.13 0.28 -0.20 0.28 -0.73 0.00 0.00 179.01 178.76 2dbf h VAL 65 N -0.01 0.57 -0.84 0.32 2.07 -1.64 -2.86 116.25 113.86 2dbf h VAL 65 Ca 0.03 -0.98 -0.48 0.00 0.82 0.00 0.00 66.70 66.09 2dbf h VAL 65 Cb 0.19 1.66 -0.26 0.00 -1.52 0.00 0.00 31.29 31.36 2dbf h VAL 65 CO -0.00 0.20 0.61 -1.54 0.02 0.00 0.00 177.57 176.86 2dbf n SER 66 N -3.45 4.79 -2.83 0.57 3.41 -0.90 -4.93 113.62 110.27 2dbf n SER 66 Ca -0.00 -3.42 -0.06 0.00 -0.26 0.00 0.00 58.87 55.12 2dbf n SER 66 Cb 0.38 -0.85 0.01 0.00 -0.26 0.00 0.00 64.21 63.49 2dbf n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dbf n GLY 67 N -0.78 -2.17 3.51 5.00 0.00 -1.08 -4.95 105.19 104.71 2dbf n GLY 67 Ca 0.51 1.01 -0.36 0.00 0.00 0.00 0.00 46.02 47.19 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 -2.27 1.80 0.36 -0.02 0.00 -0.45 -4.81 107.32 101.94 2dbf s GLY 68 Ca 0.18 -1.00 0.08 0.00 0.00 0.00 0.00 44.72 43.97 2dbf s GLY 68 CO 0.77 0.37 0.29 -0.51 0.00 0.00 0.00 173.10 174.02 2dbf s THR 69 N 1.20 3.15 0.04 0.90 -4.23 -1.26 -0.70 115.64 114.74 2dbf s THR 69 Ca 0.04 -1.42 0.03 0.00 -1.18 0.00 0.00 61.69 59.17 2dbf s THR 69 Cb -0.14 -3.09 -0.25 0.00 1.34 0.00 0.00 72.50 70.36 2dbf s THR 69 CO 0.03 -0.12 1.00 0.58 -0.54 0.00 0.00 174.62 175.58 2dbf h VAL 70 N 1.23 1.33 -0.25 2.29 2.07 -1.97 -3.19 116.25 117.76 2dbf h VAL 70 Ca -0.43 -3.03 0.04 0.00 0.82 0.00 0.00 66.70 64.10 2dbf h VAL 70 Cb 1.26 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 33.76 2dbf h VAL 70 CO 0.59 0.82 0.17 -0.09 0.02 0.00 0.00 177.57 179.08 2dbf h ARG 71 N 0.03 0.15 0.02 1.57 2.43 -1.96 -1.20 114.38 115.43 2dbf h ARG 71 Ca -0.16 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 58.75 2dbf h ARG 71 Cb 1.92 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 31.41 2dbf h ARG 71 CO 0.14 0.10 -1.30 0.93 -1.51 0.00 0.00 179.97 178.33 2dbf h GLU 72 N 0.16 0.05 -0.52 0.20 5.08 -1.99 -3.19 114.58 114.36 2dbf h GLU 72 Ca 0.11 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 2dbf h GLU 72 Cb 0.24 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2dbf h GLU 72 CO -0.02 0.88 -0.09 1.25 -1.00 0.00 0.00 179.01 180.03 2dbf h LEU 73 N 0.01 0.98 -0.29 1.33 5.85 -1.25 -0.72 115.31 121.22 2dbf h LEU 73 Ca -0.13 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 2dbf h LEU 73 Cb 1.89 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 2dbf h LEU 73 CO 0.12 1.10 -0.01 0.58 -0.34 0.00 0.00 178.44 179.89 2dbf h VAL 74 N 0.85 1.26 -0.59 1.05 2.07 -1.39 -2.18 116.25 117.33 2dbf h VAL 74 Ca 0.14 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 2dbf h VAL 74 Cb 0.64 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2dbf h VAL 74 CO 0.04 0.31 0.09 -0.33 0.02 0.00 0.00 177.57 177.70 2dbf h GLU 75 N 0.31 0.97 -0.76 1.57 5.08 -1.53 -2.12 114.58 118.11 2dbf h GLU 75 Ca 0.08 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2dbf h GLU 75 Cb 0.45 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 2dbf h GLU 75 CO 0.02 0.93 0.44 0.00 -1.00 0.00 0.00 179.01 179.39 2dbf h ALA 76 N 1.01 1.36 -0.10 3.43 0.00 -1.06 -0.74 119.26 123.16 2dbf h ALA 76 Ca 0.18 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2dbf h ALA 76 Cb 0.43 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2dbf h ALA 76 CO 0.01 0.55 -0.53 -0.07 0.00 0.00 0.00 179.25 179.21 2dbf h LEU 77 N 1.04 0.30 -0.50 0.00 3.38 -1.14 -3.01 115.31 115.38 2dbf h LEU 77 Ca 0.27 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 2dbf h LEU 77 Cb -0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2dbf h LEU 77 CO -0.05 0.77 -0.71 -0.09 0.09 0.00 0.00 178.44 178.45 2dbf h ARG 78 N 0.21 0.23 -0.67 1.13 2.43 -0.70 0.26 114.38 117.28 2dbf h ARG 78 Ca 0.01 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 58.92 2dbf h ARG 78 Cb 1.00 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 2dbf h ARG 78 CO 0.08 0.85 0.17 1.96 -1.51 0.00 0.00 179.97 181.52 2dbf h GLN 79 N 0.16 1.05 0.21 0.20 4.20 -1.04 -3.05 115.11 116.83 2dbf h GLN 79 Ca -0.02 -0.24 -0.32 0.00 0.06 0.00 0.00 58.65 58.13 2dbf h GLN 79 Cb 1.27 -0.15 0.03 0.00 0.30 0.00 0.00 27.48 28.93 2dbf h GLN 79 CO 0.11 0.92 -1.40 0.52 -0.67 0.00 0.00 178.83 178.32 2dbf h MET 80 N 1.00 0.54 0.00 1.46 2.86 -1.50 -3.48 114.93 115.81 2dbf h MET 80 Ca 0.21 -0.86 0.00 0.00 -2.06 0.00 0.00 59.70 56.99 2dbf h MET 80 Cb 0.34 0.31 0.00 0.00 0.06 0.00 0.00 31.60 32.31 2dbf h MET 80 CO -0.00 1.41 0.00 0.41 1.06 0.00 0.00 176.91 179.79 2dbf n GLY 81 N 1.60 1.61 3.70 8.32 0.00 -0.54 -4.75 105.19 115.13 2dbf n GLY 81 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 3.50 -0.15 1.61 2.02 0.80 -4.94 117.35 118.19 2dbf s TYR 82 Ca 0.00 1.03 0.09 0.00 -0.37 0.00 0.00 57.07 57.82 2dbf s TYR 82 Cb 0.00 -2.71 -0.15 0.00 -0.40 0.00 0.00 41.96 38.70 2dbf s TYR 82 CO 0.00 0.05 -0.02 2.41 -1.57 0.00 0.00 175.55 176.42 2dbf n THR 83 N 3.97 0.98 0.03 -0.71 -1.04 -1.26 -4.29 114.28 111.95 2dbf n THR 83 Ca -0.03 -0.52 -0.19 0.00 -2.04 0.00 0.00 64.05 61.26 2dbf n THR 83 Cb 0.51 -0.80 -0.12 0.00 -1.82 0.00 0.00 70.33 68.10 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 0.00 0.44 -0.99 -2.82 5.08 -1.99 -2.92 114.58 111.37 2dbf h GLU 84 Ca -0.38 -0.53 0.05 0.00 -1.00 0.00 0.00 59.36 57.50 2dbf h GLU 84 Cb 1.78 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 31.13 2dbf h GLU 84 CO -0.01 1.18 0.65 0.00 -1.00 0.00 0.00 179.01 179.83 2dbf h ALA 85 N 0.27 1.39 0.00 3.43 0.00 -1.98 -0.48 119.26 121.90 2dbf h ALA 85 Ca -0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2dbf h ALA 85 Cb 1.48 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2dbf h ALA 85 CO 0.15 0.49 -0.54 0.82 0.00 0.00 0.00 179.25 180.17 2dbf h ILE 86 N 1.21 1.37 -0.00 0.00 2.04 -1.75 -2.98 117.51 117.41 2dbf h ILE 86 Ca 0.41 -1.88 -0.17 0.00 1.00 0.00 0.00 64.86 64.22 2dbf h ILE 86 Cb 0.08 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 2dbf h ILE 86 CO -0.14 0.53 -0.80 -0.33 0.00 0.00 0.00 178.15 177.41 2dbf h GLU 87 N 0.00 0.09 -0.13 2.37 4.39 -1.05 -1.68 114.58 118.56 2dbf h GLU 87 Ca -0.01 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 2dbf h GLU 87 Cb 0.97 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 2dbf h GLU 87 CO 0.07 0.84 -0.28 0.28 -1.16 0.00 0.00 179.01 178.76 2dbf h VAL 88 N 0.05 1.25 0.00 3.13 2.07 -0.98 -0.67 116.25 121.10 2dbf h VAL 88 Ca -0.02 -1.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.20 2dbf h VAL 88 Cb 1.41 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 2dbf h VAL 88 CO 0.11 0.36 -0.65 0.40 0.02 0.00 0.00 177.57 177.81 2dbf h ILE 89 N 0.22 1.08 -0.06 4.57 2.04 -1.51 -3.34 117.51 120.51 2dbf h ILE 89 Ca 0.03 -2.05 0.02 0.00 1.00 0.00 0.00 64.86 63.86 2dbf h ILE 89 Cb 0.61 2.28 -0.00 0.00 -0.74 0.00 0.00 36.82 38.97 2dbf h ILE 89 CO 0.04 0.37 0.05 1.56 0.00 0.00 0.00 178.15 180.17 2dbf h GLN 90 N -1.00 0.00 -0.30 2.37 4.20 -1.35 0.41 115.11 119.44 2dbf h GLN 90 Ca -0.17 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 2dbf h GLN 90 Cb 1.03 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 2dbf h GLN 90 CO -0.10 0.00 0.16 0.00 -0.67 0.00 0.00 178.83 178.22 2dbf h ALA 91 N 1.96 0.38 0.17 3.87 0.00 -1.25 -3.24 119.26 121.15 2dbf h ALA 91 Ca 0.03 -0.07 -0.35 0.00 0.00 0.00 0.00 54.91 54.52 2dbf h ALA 91 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2dbf h ALA 91 CO -0.00 -0.09 -1.79 0.00 0.00 0.00 0.00 179.25 177.37 2dbf h ALA 92 N 1.04 0.22 -2.01 0.00 0.00 -1.52 -3.47 119.26 113.51 2dbf h ALA 92 Ca 0.10 -1.19 -0.46 0.00 0.00 0.00 0.00 54.91 53.37 2dbf h ALA 92 Cb 0.06 0.49 0.10 0.00 0.00 0.00 0.00 17.79 18.44 2dbf h ALA 92 CO -0.02 1.09 0.23 0.45 0.00 0.00 0.00 179.25 181.00 2dbf s SER 93 N -7.22 4.38 0.57 0.00 0.15 0.14 -4.96 113.70 106.76 2dbf s SER 93 Ca -0.17 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.70 2dbf s SER 93 Cb 0.06 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.68 2dbf s SER 93 CO 0.84 -1.87 0.00 -0.24 1.20 0.00 0.00 173.24 173.17 2dbf n SER 94 N -3.05 -8.35 -3.60 5.45 2.88 -1.26 -4.64 113.62 101.04 2dbf n SER 94 Ca 0.11 1.28 0.02 0.00 -1.33 0.00 0.00 58.87 58.95 2dbf n SER 94 Cb 0.60 -4.92 -0.00 0.00 -0.75 0.00 0.00 64.21 59.14 2dbf n SER 94 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dbf s SER 95 N -7.29 -0.04 0.00 -3.46 1.04 -1.26 -4.99 113.70 97.70 2dbf s SER 95 Ca 0.00 -0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.34 2dbf s SER 95 Cb 0.00 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.23 2dbf s SER 95 CO 0.00 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2dbf n GLY 96 N -0.49 -1.93 3.59 7.32 0.00 -1.26 -5.12 105.19 107.29 2dbf n GLY 96 Ca -0.09 0.99 -0.42 0.00 0.00 0.00 0.00 46.02 46.50 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 3.23 -1.21 1.61 0.04 -1.26 -4.93 135.00 132.48 2dbf s PRO 97 Ca 0.00 1.05 -0.13 0.00 0.04 0.00 0.00 61.00 61.95 2dbf s PRO 97 Cb 0.00 -4.19 0.18 0.00 0.04 0.00 0.00 34.50 30.53 2dbf s PRO 97 CO 0.00 -1.99 1.43 0.45 0.04 0.00 0.00 177.00 176.93 2dbf n SER 98 N 10.41 5.24 -2.69 6.66 2.88 -1.26 -4.42 113.62 130.44 2dbf n SER 98 Ca 0.20 -2.99 -0.21 0.00 -1.33 0.00 0.00 58.87 54.54 2dbf n SER 98 Cb 0.48 -1.56 0.01 0.00 -0.75 0.00 0.00 64.21 62.40 2dbf n SER 98 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dbf n SER 99 N 5.41 -5.95 0.00 -3.46 7.64 -1.26 -5.38 113.62 110.61 2dbf n SER 99 Ca 0.36 -0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2dbf n SER 99 Cb 0.42 -4.89 0.00 0.00 -1.01 0.00 0.00 64.21 58.74 2dbf n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64