#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbf s SER 2 N 0.00 7.40 1.01 1.61 0.15 -1.26 -5.05 113.70 117.56 2dbf s SER 2 Ca 0.00 1.68 -0.15 0.00 0.70 0.00 0.00 55.95 58.18 2dbf s SER 2 Cb 0.00 -2.56 0.20 0.00 -1.71 0.00 0.00 66.02 61.95 2dbf s SER 2 CO 0.00 -0.14 1.18 -0.55 1.20 0.00 0.00 173.24 174.93 2dbf s SER 3 N 0.44 2.61 0.00 5.45 0.15 -1.26 -5.04 113.70 116.05 2dbf s SER 3 Ca 0.48 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.81 2dbf s SER 3 Cb -0.22 -1.02 0.00 0.00 -1.71 0.00 0.00 66.02 63.07 2dbf s SER 3 CO 0.28 -3.08 0.00 0.61 1.20 0.00 0.00 173.24 172.25 2dbf n GLY 4 N -2.23 3.87 3.39 9.45 0.00 -1.26 -5.06 105.19 113.35 2dbf n GLY 4 Ca 0.11 -0.95 -0.45 0.00 0.00 0.00 0.00 46.02 44.73 2dbf n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbf s SER 5 N 0.00 6.19 -0.01 1.61 0.01 -1.26 -5.02 113.70 115.22 2dbf s SER 5 Ca 0.00 -1.30 -0.11 0.00 1.31 0.00 0.00 55.95 55.85 2dbf s SER 5 Cb 0.00 -2.26 0.01 0.00 0.21 0.00 0.00 66.02 63.98 2dbf s SER 5 CO 0.00 -0.92 0.22 -0.44 0.41 0.00 0.00 173.24 172.51 2dbf s SER 6 N 3.14 -0.08 0.11 2.44 0.01 -1.26 -5.17 113.70 112.89 2dbf s SER 6 Ca 0.10 -0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.34 2dbf s SER 6 Cb -0.23 0.26 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 2dbf s SER 6 CO 0.08 -0.40 0.07 -0.83 0.41 0.00 0.00 173.24 172.57 2dbf s GLY 7 N -1.32 1.91 -0.34 3.44 0.00 -1.26 -4.95 107.32 104.80 2dbf s GLY 7 Ca -0.14 -1.10 0.07 0.00 0.00 0.00 0.00 44.72 43.55 2dbf s GLY 7 CO 0.03 -1.09 1.50 1.22 0.00 0.00 0.00 173.10 174.76 2dbf n ASP 8 N 0.27 3.36 -0.01 1.64 9.92 -1.22 -4.60 116.55 125.91 2dbf n ASP 8 Ca -0.09 -3.79 0.14 0.00 -0.53 0.00 0.00 54.79 50.52 2dbf n ASP 8 Cb 0.53 -0.64 0.59 0.00 -0.64 0.00 0.00 41.12 40.96 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 -1.05 0.10 0.09 -1.24 2.81 -1.23 -3.49 117.12 113.11 2dbf n MET 9 Ca 0.39 -0.01 -0.06 0.00 -1.81 0.00 0.00 57.70 56.21 2dbf n MET 9 Cb 1.02 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 32.11 2dbf n MET 9 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2dbf h LYS 10 N 0.03 0.20 -0.02 0.03 2.10 -1.89 -3.14 116.57 113.88 2dbf h LYS 10 Ca 0.00 -0.16 -0.16 0.00 -2.00 0.00 0.00 60.65 58.32 2dbf h LYS 10 Cb 0.46 0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.81 2dbf h LYS 10 CO 0.00 0.82 -0.74 -0.56 -2.00 0.00 0.00 179.45 176.98 2dbf h GLN 11 N 0.14 0.12 -6.54 0.07 3.07 -1.94 -3.44 115.11 106.58 2dbf h GLN 11 Ca -0.02 -0.10 -0.53 0.00 0.09 0.00 0.00 58.65 58.09 2dbf h GLN 11 Cb 1.26 0.02 0.04 0.00 0.08 0.00 0.00 27.48 28.88 2dbf h GLN 11 CO 0.11 0.80 1.04 -0.51 0.09 0.00 0.00 178.83 180.36 2dbf s LEU 12 N -7.53 4.38 0.49 0.06 1.43 -1.19 -4.97 118.68 111.35 2dbf s LEU 12 Ca -0.02 2.71 -0.18 0.00 -1.03 0.00 0.00 54.13 55.61 2dbf s LEU 12 Cb 0.11 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.67 2dbf s LEU 12 CO 0.80 -0.95 0.99 0.00 0.23 0.00 0.00 176.35 177.41 2dbf s ALA 13 N 2.21 3.00 0.40 4.21 0.00 -1.26 -4.95 121.76 125.38 2dbf s ALA 13 Ca 0.77 0.33 0.07 0.00 0.00 0.00 0.00 51.96 53.13 2dbf s ALA 13 Cb -0.45 -3.16 0.84 0.00 0.00 0.00 0.00 23.12 20.36 2dbf s ALA 13 CO 0.34 -0.17 2.04 1.49 0.00 0.00 0.00 175.76 179.46 2dbf h GLU 14 N 1.29 0.57 -0.41 0.00 4.81 -1.97 -1.47 114.58 117.39 2dbf h GLU 14 Ca -0.48 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.66 2dbf h GLU 14 Cb 1.19 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 2dbf h GLU 14 CO 0.61 0.38 0.02 -0.44 -0.73 0.00 0.00 179.01 178.84 2dbf h ASP 15 N 0.59 0.61 0.09 1.04 5.19 -1.99 -0.17 116.42 121.79 2dbf h ASP 15 Ca 0.18 -0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2dbf h ASP 15 Cb 0.00 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.35 2dbf h ASP 15 CO -0.04 0.67 -0.05 0.58 -3.12 0.00 0.00 179.24 177.28 2dbf h VAL 16 N 0.62 1.12 0.00 -1.35 2.07 -1.63 -2.82 116.25 114.25 2dbf h VAL 16 Ca 0.13 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 2dbf h VAL 16 Cb 0.36 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 2dbf h VAL 16 CO 0.01 0.20 -0.20 0.11 0.02 0.00 0.00 177.57 177.71 2dbf h LYS 17 N -0.52 0.00 -0.60 1.57 6.56 -1.39 -2.70 116.57 119.50 2dbf h LYS 17 Ca -0.01 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.50 2dbf h LYS 17 Cb 0.43 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.07 2dbf h LYS 17 CO 0.02 0.20 0.07 -0.07 -2.06 0.00 0.00 179.45 177.62 2dbf h LEU 18 N 0.00 0.97 -1.47 2.94 3.38 -0.93 -2.69 115.31 117.51 2dbf h LEU 18 Ca -0.00 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 2dbf h LEU 18 Cb 0.44 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2dbf h LEU 18 CO 0.03 1.00 -0.24 1.56 0.09 0.00 0.00 178.44 180.88 2dbf h GLN 19 N 0.90 0.04 -0.32 1.13 4.20 -1.22 -2.46 115.11 117.39 2dbf h GLN 19 Ca 0.18 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.90 2dbf h GLN 19 Cb 0.46 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2dbf h GLN 19 CO 0.02 0.28 0.21 -0.07 -0.67 0.00 0.00 178.83 178.60 2dbf h LEU 20 N 0.04 0.28 -0.57 1.46 3.38 -1.42 -1.91 115.31 116.57 2dbf h LEU 20 Ca 0.01 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2dbf h LEU 20 Cb 0.44 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2dbf h LEU 20 CO 0.03 0.19 0.10 1.88 0.09 0.00 0.00 178.44 180.74 2dbf h TYR 21 N 0.32 0.99 -0.19 1.13 0.05 -1.48 -1.05 116.97 116.75 2dbf h TYR 21 Ca 0.13 -0.13 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 2dbf h TYR 21 Cb 0.11 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 2dbf h TYR 21 CO -0.00 0.86 -0.01 0.87 -1.05 0.00 0.00 178.16 178.84 2dbf h LYS 22 N 0.83 0.28 0.08 4.88 1.57 -1.44 -0.79 116.57 121.97 2dbf h LYS 22 Ca 0.17 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2dbf h LYS 22 Cb 0.40 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2dbf h LYS 22 CO 0.01 0.31 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.09 2dbf h LEU 23 N 0.28 -0.09 -2.44 2.94 3.38 -1.25 -3.27 115.31 114.85 2dbf h LEU 23 Ca 0.06 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.59 2dbf h LEU 23 Cb 0.20 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2dbf h LEU 23 CO 0.00 0.58 0.07 -0.07 0.09 0.00 0.00 178.44 179.11 2dbf h LEU 24 N -0.93 0.00 -2.11 1.67 3.38 -1.12 -1.44 115.31 114.76 2dbf h LEU 24 Ca -0.01 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.04 2dbf h LEU 24 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2dbf h LEU 24 CO 0.02 0.00 0.31 -0.33 0.09 0.00 0.00 178.44 178.53 2dbf h GLU 25 N 0.00 0.00 -6.20 1.13 5.08 -1.19 -2.11 114.58 111.29 2dbf h GLU 25 Ca 0.03 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.82 2dbf h GLU 25 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2dbf h GLU 25 CO -0.00 0.00 1.29 0.42 -1.00 0.00 0.00 179.01 179.72 2dbf s ILE 26 N -4.66 3.29 -0.93 3.13 1.01 -0.55 -4.86 121.20 117.63 2dbf s ILE 26 Ca -0.05 0.32 -0.10 0.00 0.00 0.00 0.00 60.65 60.82 2dbf s ILE 26 Cb 0.16 -3.31 -0.07 0.00 0.01 0.00 0.00 42.46 39.25 2dbf s ILE 26 CO 0.56 -0.14 2.11 -0.81 0.00 0.00 0.00 174.94 176.66 2dbf n PRO 27 N 8.07 2.05 -4.10 2.79 -0.04 -1.26 -3.32 135.00 139.19 2dbf n PRO 27 Ca 0.23 -1.62 -0.23 0.00 -0.04 0.00 0.00 63.50 61.84 2dbf n PRO 27 Cb 0.44 -2.61 -0.06 0.00 -0.04 0.00 0.00 33.50 31.24 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 3.72 4.83 0.24 3.54 1.11 -1.26 -4.98 116.67 123.87 2dbf s ASP 28 Ca 0.45 -0.65 0.01 0.00 0.18 0.00 0.00 52.55 52.54 2dbf s ASP 28 Cb 0.12 -0.86 0.28 0.00 1.07 0.00 0.00 42.92 43.52 2dbf s ASP 28 CO -0.00 -0.22 1.61 1.55 1.18 0.00 0.00 175.17 179.29 2dbf h PRO 29 N 1.56 0.45 0.00 8.23 0.13 -1.98 -3.10 132.00 137.29 2dbf h PRO 29 Ca -0.44 -0.23 -0.04 0.00 -0.87 0.00 0.00 66.00 64.41 2dbf h PRO 29 Cb 1.25 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.30 2dbf h PRO 29 CO 0.62 0.80 -0.62 -0.25 -0.23 0.00 0.00 178.00 178.32 2dbf n ASP 30 N -4.01 1.54 -1.16 1.44 9.92 -1.26 -4.69 116.55 118.33 2dbf n ASP 30 Ca -0.02 -3.43 -0.03 0.00 -0.53 0.00 0.00 54.79 50.78 2dbf n ASP 30 Cb 0.52 -0.47 -0.04 0.00 -0.64 0.00 0.00 41.12 40.49 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 -0.74 0.00 -4.40 -1.24 5.02 -1.23 -4.46 118.16 111.11 2dbf n LYS 31 Ca 0.16 -1.33 -0.24 0.00 -2.02 0.00 0.00 58.31 54.88 2dbf n LYS 31 Cb 0.80 0.33 -0.09 0.00 -0.02 0.00 0.00 35.03 36.05 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 3.97 0.19 4.39 3.04 -1.17 -3.99 114.94 120.04 2dbf s ASN 32 Ca 0.11 -0.93 -0.12 0.00 0.04 0.00 0.00 52.86 51.96 2dbf s ASN 32 Cb 0.13 -0.50 0.11 0.00 -1.54 0.00 0.00 41.25 39.45 2dbf s ASN 32 CO -0.06 -0.04 1.83 4.11 -3.04 0.00 0.00 177.10 179.90 2dbf h TRP 33 N 2.06 0.84 -0.18 0.43 5.08 -1.63 -1.92 115.95 120.63 2dbf h TRP 33 Ca -0.42 0.00 0.03 0.00 1.08 0.00 0.00 58.89 59.58 2dbf h TRP 33 Cb 1.25 -0.28 -0.01 0.00 -3.00 0.00 0.00 29.16 27.13 2dbf h TRP 33 CO 0.75 0.56 0.12 0.00 -1.28 0.00 0.00 178.44 178.60 2dbf h ALA 34 N 1.21 2.02 -0.28 0.11 0.00 -1.95 -1.59 119.26 118.78 2dbf h ALA 34 Ca 0.23 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 2dbf h ALA 34 Cb -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2dbf h ALA 34 CO -0.04 -0.05 -0.35 1.15 0.00 0.00 0.00 179.25 179.95 2dbf h THR 35 N 0.12 1.30 -0.10 0.00 2.02 -1.67 -3.08 112.91 111.50 2dbf h THR 35 Ca 0.08 -1.54 -0.09 0.00 0.77 0.00 0.00 66.41 65.63 2dbf h THR 35 Cb 0.16 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2dbf h THR 35 CO -0.01 0.49 -0.34 0.25 0.37 0.00 0.00 175.52 176.28 2dbf h LEU 36 N 0.48 0.19 -0.83 2.58 5.85 -1.05 -2.81 115.31 119.74 2dbf h LEU 36 Ca 0.04 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2dbf h LEU 36 Cb 0.94 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 2dbf h LEU 36 CO 0.08 0.53 0.55 0.00 -0.34 0.00 0.00 178.44 179.26 2dbf h ALA 37 N 1.49 1.05 -0.36 1.25 0.00 -1.24 0.24 119.26 121.69 2dbf h ALA 37 Ca 0.02 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 2dbf h ALA 37 Cb 0.68 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2dbf h ALA 37 CO 0.05 0.46 -0.38 1.96 0.00 0.00 0.00 179.25 181.34 2dbf h GLN 38 N 1.12 0.89 0.22 0.00 4.20 -1.47 0.61 115.11 120.68 2dbf h GLN 38 Ca 0.30 -0.48 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 2dbf h GLN 38 Cb -0.13 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.67 2dbf h GLN 38 CO -0.07 1.12 -0.11 0.87 -0.67 0.00 0.00 178.83 179.98 2dbf h LYS 39 N 0.69 -0.29 0.42 1.46 6.56 -1.22 -3.25 116.57 120.96 2dbf h LYS 39 Ca 0.05 0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.64 2dbf h LYS 39 Cb 0.97 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.70 2dbf h LYS 39 CO 0.09 -0.07 -0.20 -0.07 -2.06 0.00 0.00 179.45 177.14 2dbf h LEU 40 N -0.47 -0.48 0.00 2.94 3.38 -1.01 -3.48 115.31 116.20 2dbf h LEU 40 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2dbf h LEU 40 Cb 0.35 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2dbf h LEU 40 CO 0.05 -0.33 0.00 0.61 0.09 0.00 0.00 178.44 178.86 2dbf n GLY 41 N -1.29 0.30 1.56 0.83 0.00 -0.52 -5.06 105.19 101.02 2dbf n GLY 41 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.94 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 1.31 0.20 0.99 4.77 0.20 -4.86 117.00 119.61 2dbf n LEU 42 Ca 0.00 -2.36 0.05 0.00 -0.03 0.00 0.00 56.01 53.67 2dbf n LEU 42 Cb 0.00 -0.01 0.42 0.00 -2.33 0.00 0.00 43.42 41.50 2dbf n LEU 42 CO 0.00 0.68 0.75 1.23 -1.33 0.00 0.00 177.39 178.72 2dbf h GLY 43 N 1.20 0.00 2.00 -0.72 0.00 -1.83 -2.74 103.07 100.98 2dbf h GLY 43 Ca -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.07 2dbf h GLY 43 CO 0.11 0.00 -0.33 1.19 0.00 0.00 0.00 176.54 177.51 2dbf h ILE 44 N 0.00 1.24 -0.83 2.60 6.09 -1.91 -2.65 117.51 122.05 2dbf h ILE 44 Ca -0.00 -1.15 -0.46 0.00 -1.37 0.00 0.00 64.86 61.88 2dbf h ILE 44 Cb 0.68 1.62 -0.26 0.00 0.47 0.00 0.00 36.82 39.32 2dbf h ILE 44 CO 0.04 0.33 0.45 0.18 -3.07 0.00 0.00 178.15 176.08 2dbf n LEU 45 N -4.14 6.16 -0.04 2.19 4.77 -1.04 -4.55 117.00 120.35 2dbf n LEU 45 Ca -0.02 -3.80 -0.16 0.00 -0.03 0.00 0.00 56.01 52.00 2dbf n LEU 45 Cb 0.37 -0.79 -0.07 0.00 -2.33 0.00 0.00 43.42 40.60 2dbf n LEU 45 CO 0.38 1.21 0.35 0.78 -1.33 0.00 0.00 177.39 178.79 2dbf h ASN 46 N 1.19 0.81 -0.15 -1.43 4.21 -1.45 -3.12 115.58 115.64 2dbf h ASN 46 Ca 0.52 -0.61 0.00 0.00 1.21 0.00 0.00 56.30 57.42 2dbf h ASN 46 Cb 2.22 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 39.17 2dbf h ASN 46 CO 0.99 1.28 0.10 -1.13 -1.29 0.00 0.00 177.43 177.37 2dbf h ASN 47 N 0.39 0.17 -0.40 5.81 -1.24 -1.82 -1.09 115.58 117.39 2dbf h ASN 47 Ca -0.03 -0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.91 2dbf h ASN 47 Cb 1.23 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 40.22 2dbf h ASN 47 CO 0.13 0.12 -0.03 0.00 -1.29 0.00 0.00 177.43 176.36 2dbf h ALA 48 N 1.91 0.55 -0.08 1.57 0.00 -1.88 -2.63 119.26 118.70 2dbf h ALA 48 Ca 0.05 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 2dbf h ALA 48 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2dbf h ALA 48 CO -0.01 0.35 -0.59 0.74 0.00 0.00 0.00 179.25 179.74 2dbf h PHE 49 N 0.56 0.32 -0.24 0.00 0.04 -1.37 -3.14 116.94 113.10 2dbf h PHE 49 Ca 0.11 -0.12 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 2dbf h PHE 49 Cb 0.52 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 2dbf h PHE 49 CO 0.04 0.78 0.14 -0.09 -0.60 0.00 0.00 178.31 178.58 2dbf h ARG 50 N 0.19 0.33 -0.22 1.51 2.43 -1.09 -2.31 114.38 115.22 2dbf h ARG 50 Ca -0.00 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2dbf h ARG 50 Cb 1.09 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 2dbf h ARG 50 CO 0.09 0.28 0.14 -0.07 -1.51 0.00 0.00 179.97 178.90 2dbf h LEU 51 N 0.29 0.23-10.21 3.80 3.38 -1.47 -3.43 115.31 107.89 2dbf h LEU 51 Ca 0.09 -0.01 -0.52 0.00 0.09 0.00 0.00 57.88 57.53 2dbf h LEU 51 Cb 0.04 -0.06 0.13 0.00 0.09 0.00 0.00 40.66 40.86 2dbf h LEU 51 CO -0.02 0.16 0.36 -0.44 0.09 0.00 0.00 178.44 178.60 2dbf s SER 52 N -6.85 4.61 0.35 -0.43 0.01 -0.87 -4.94 113.70 105.59 2dbf s SER 52 Ca -0.07 2.09 0.07 0.00 1.31 0.00 0.00 55.95 59.36 2dbf s SER 52 Cb 0.17 -2.56 0.66 0.00 0.21 0.00 0.00 66.02 64.50 2dbf s SER 52 CO 0.70 -1.97 1.86 1.55 0.41 0.00 0.00 173.24 175.79 2dbf h PRO 53 N -0.35 0.34 -2.75 12.44 0.13 -1.83 -3.36 132.00 136.62 2dbf h PRO 53 Ca -0.46 -0.09 -0.60 0.00 -0.87 0.00 0.00 66.00 63.98 2dbf h PRO 53 Cb 1.26 -0.04 -0.40 0.00 0.13 0.00 0.00 31.00 31.95 2dbf h PRO 53 CO 0.52 0.48 -0.79 0.00 -0.23 0.00 0.00 178.00 177.97 2dbf s ALA 54 N -4.69 2.17 0.33 -0.56 0.00 -1.26 -4.98 121.76 112.77 2dbf s ALA 54 Ca -0.06 -2.78 0.09 0.00 0.00 0.00 0.00 51.96 49.22 2dbf s ALA 54 Cb 0.15 -1.82 0.84 0.00 0.00 0.00 0.00 23.12 22.28 2dbf s ALA 54 CO 0.75 -2.04 1.79 -1.35 0.00 0.00 0.00 175.76 174.91 2dbf h PRO 55 N 6.05 0.65 -0.08 0.00 0.11 -1.71 0.19 132.00 137.20 2dbf h PRO 55 Ca 0.13 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.10 2dbf h PRO 55 Cb 0.88 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 2dbf h PRO 55 CO 0.48 0.43 -0.41 0.77 -0.21 0.00 0.00 178.00 179.06 2dbf h SER 56 N 0.66 0.19 0.74 -2.05 0.02 -1.94 -1.29 113.55 109.89 2dbf h SER 56 Ca 0.56 -0.08 -0.19 0.00 -0.84 0.00 0.00 61.79 61.25 2dbf h SER 56 Cb 1.01 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2dbf h SER 56 CO -0.34 0.59 -0.86 0.50 -1.14 0.00 0.00 176.83 175.57 2dbf h LYS 57 N 0.16 0.08 0.00 3.45 3.64 -1.10 -3.22 116.57 119.57 2dbf h LYS 57 Ca 0.01 -0.09 -0.19 0.00 -1.27 0.00 0.00 60.65 59.11 2dbf h LYS 57 Cb 0.80 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 2dbf h LYS 57 CO 0.06 0.89 -0.91 1.15 -2.27 0.00 0.00 179.45 178.37 2dbf h THR 58 N 0.04 1.62 0.81 1.00 2.02 -0.92 -3.12 112.91 114.36 2dbf h THR 58 Ca -0.02 -3.16 -0.04 0.00 0.77 0.00 0.00 66.41 63.96 2dbf h THR 58 Cb 1.51 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 70.64 2dbf h THR 58 CO 0.12 0.89 -0.45 0.25 0.37 0.00 0.00 175.52 176.70 2dbf h LEU 59 N 0.00 -1.12 -1.95 2.58 5.85 -1.25 0.12 115.31 119.55 2dbf h LEU 59 Ca -0.01 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2dbf h LEU 59 Cb 1.65 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 42.99 2dbf h LEU 59 CO 0.12 -0.72 0.06 0.24 -0.34 0.00 0.00 178.44 177.80 2dbf h MET 60 N -1.17 0.07 -0.02 1.25 2.86 -1.69 0.53 114.93 116.76 2dbf h MET 60 Ca -0.11 -0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.39 2dbf h MET 60 Cb 0.92 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 2dbf h MET 60 CO 0.14 0.04 -0.60 -0.44 1.06 0.00 0.00 176.91 177.11 2dbf h ASP 61 N 0.07 0.08 0.45 1.22 3.32 -1.41 -2.69 116.42 117.46 2dbf h ASP 61 Ca 0.04 -0.05 -0.30 0.00 0.02 0.00 0.00 57.03 56.74 2dbf h ASP 61 Cb 0.07 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 2dbf h ASP 61 CO -0.01 0.66 -1.74 0.59 -1.72 0.00 0.00 179.24 177.02 2dbf n ASN 62 N -3.84 1.02 0.16 6.45 3.02 0.39 -3.77 115.26 118.69 2dbf n ASN 62 Ca -0.02 0.39 0.02 0.00 -0.03 0.00 0.00 54.58 54.95 2dbf n ASN 62 Cb 0.60 -0.16 0.36 0.00 -0.61 0.00 0.00 39.78 39.97 2dbf n ASN 62 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2dbf h TYR 63 N 0.01 0.09 -0.10 3.10 3.20 0.00 -2.05 116.97 121.22 2dbf h TYR 63 Ca -0.30 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.47 2dbf h TYR 63 Cb 2.02 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 40.27 2dbf h TYR 63 CO 0.01 0.39 -0.27 1.49 -1.64 0.00 0.00 178.16 178.14 2dbf h GLU 64 N 0.08 0.36 0.00 1.82 4.81 -1.61 0.31 114.58 120.34 2dbf h GLU 64 Ca 0.01 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 58.94 2dbf h GLU 64 Cb 0.59 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 2dbf h GLU 64 CO 0.04 0.86 -0.24 0.28 -0.73 0.00 0.00 179.01 179.23 2dbf h VAL 65 N -0.08 1.04 -0.86 0.32 2.07 -1.62 -2.66 116.25 114.46 2dbf h VAL 65 Ca -0.00 -0.85 -0.56 0.00 0.82 0.00 0.00 66.70 66.11 2dbf h VAL 65 Cb 0.87 1.47 -0.25 0.00 -1.52 0.00 0.00 31.29 31.87 2dbf h VAL 65 CO 0.06 0.23 0.73 -1.54 0.02 0.00 0.00 177.57 177.07 2dbf n SER 66 N -4.07 6.85 0.00 0.57 3.41 -0.78 -4.91 113.62 114.69 2dbf n SER 66 Ca -0.02 -3.56 0.00 0.00 -0.26 0.00 0.00 58.87 55.03 2dbf n SER 66 Cb 0.31 -0.97 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 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 -0.62 2.06 1.65 5.00 0.00 -1.00 -4.96 105.19 107.31 2dbf n GLY 67 Ca 0.54 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.69 3.27 -0.02 0.00 0.11 -4.64 105.19 100.22 2dbf n GLY 68 Ca 0.00 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.19 1.57 -0.08 2.61 -4.23 -1.26 -3.42 115.64 110.63 2dbf s THR 69 Ca -0.05 -1.58 0.06 0.00 -1.18 0.00 0.00 61.69 58.94 2dbf s THR 69 Cb 0.00 -1.51 -0.24 0.00 1.34 0.00 0.00 72.50 72.10 2dbf s THR 69 CO 0.14 -0.18 0.52 0.52 -0.54 0.00 0.00 174.62 175.08 2dbf n VAL 70 N 0.92 1.66 -0.04 2.29 0.31 -1.26 -3.52 118.33 118.69 2dbf n VAL 70 Ca -0.18 -0.75 0.07 0.00 -0.01 0.00 0.00 64.34 63.46 2dbf n VAL 70 Cb 0.55 -1.25 0.44 0.00 -0.91 0.00 0.00 33.84 32.66 2dbf n VAL 70 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2dbf h ARG 71 N 0.02 0.51 0.11 5.55 2.47 -1.96 -0.19 114.38 120.90 2dbf h ARG 71 Ca -0.35 -0.03 -0.27 0.00 -1.26 0.00 0.00 59.98 58.07 2dbf h ARG 71 Cb 2.03 -0.12 -0.00 0.00 -1.65 0.00 0.00 29.97 30.23 2dbf h ARG 71 CO 0.08 0.34 -1.22 0.93 0.56 0.00 0.00 179.97 180.66 2dbf h GLU 72 N 0.53 0.23 -0.24 0.04 5.08 -1.99 -2.79 114.58 115.43 2dbf h GLU 72 Ca 0.20 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 2dbf h GLU 72 Cb 0.15 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2dbf h GLU 72 CO -0.05 1.18 -0.01 1.25 -1.00 0.00 0.00 179.01 180.38 2dbf h LEU 73 N 0.06 0.43 -1.03 1.33 5.85 -1.38 0.35 115.31 120.92 2dbf h LEU 73 Ca -0.12 -0.32 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 2dbf h LEU 73 Cb 1.94 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.85 2dbf h LEU 73 CO 0.19 0.64 -0.42 0.58 -0.34 0.00 0.00 178.44 179.09 2dbf h VAL 74 N 0.20 1.31 0.12 1.05 2.07 -1.17 -2.02 116.25 117.81 2dbf h VAL 74 Ca 0.07 -1.51 -0.25 0.00 0.82 0.00 0.00 66.70 65.83 2dbf h VAL 74 Cb 0.43 1.75 0.03 0.00 -1.52 0.00 0.00 31.29 31.97 2dbf h VAL 74 CO 0.01 0.44 -1.05 -0.33 0.02 0.00 0.00 177.57 176.67 2dbf h GLU 75 N 0.10 0.50 -0.42 1.57 5.08 -1.33 -3.07 114.58 117.00 2dbf h GLU 75 Ca 0.01 -0.70 -0.01 0.00 -1.00 0.00 0.00 59.36 57.66 2dbf h GLU 75 Cb 0.79 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 2dbf h GLU 75 CO 0.06 1.30 0.21 0.00 -1.00 0.00 0.00 179.01 179.58 2dbf h ALA 76 N 0.22 0.54 -0.16 3.43 0.00 -0.24 -0.95 119.26 122.11 2dbf h ALA 76 Ca -0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2dbf h ALA 76 Cb 1.77 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 2dbf h ALA 76 CO 0.20 0.10 0.02 -0.07 0.00 0.00 0.00 179.25 179.50 2dbf h LEU 77 N 0.54 0.21 -0.22 0.00 3.38 -1.47 -1.96 115.31 115.78 2dbf h LEU 77 Ca 0.15 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 2dbf h LEU 77 Cb 0.11 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2dbf h LEU 77 CO -0.02 0.24 -0.91 -0.09 0.09 0.00 0.00 178.44 177.75 2dbf h ARG 78 N 0.23 0.30 -0.55 1.13 2.43 -1.33 0.49 114.38 117.09 2dbf h ARG 78 Ca 0.06 -0.33 -0.11 0.00 -0.81 0.00 0.00 59.98 58.79 2dbf h ARG 78 Cb 0.13 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2dbf h ARG 78 CO 0.00 1.03 -0.08 1.96 -1.51 0.00 0.00 179.97 181.37 2dbf h GLN 79 N 0.17 1.01 -0.05 0.20 4.20 -0.48 -2.97 115.11 117.19 2dbf h GLN 79 Ca -0.06 -0.35 -0.18 0.00 0.06 0.00 0.00 58.65 58.12 2dbf h GLN 79 Cb 1.54 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.24 2dbf h GLN 79 CO 0.15 1.03 -0.73 0.52 -0.67 0.00 0.00 178.83 179.13 2dbf h MET 80 N 0.90 0.29 0.00 1.46 2.86 -1.42 -3.47 114.93 115.54 2dbf h MET 80 Ca 0.15 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2dbf h MET 80 Cb 0.63 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.35 2dbf h MET 80 CO 0.04 0.90 0.00 0.41 1.06 0.00 0.00 176.91 179.32 2dbf n GLY 81 N 0.55 1.97 3.79 8.32 0.00 -0.92 -4.81 105.19 114.09 2dbf n GLY 81 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 3.76 -0.05 1.61 2.02 0.17 -4.97 117.35 117.89 2dbf s TYR 82 Ca 0.00 1.26 0.01 0.00 -0.37 0.00 0.00 57.07 57.97 2dbf s TYR 82 Cb 0.00 -2.55 -0.03 0.00 -0.40 0.00 0.00 41.96 38.97 2dbf s TYR 82 CO 0.00 0.49 -0.04 2.41 -1.57 0.00 0.00 175.55 176.84 2dbf n THR 83 N 2.12 0.29 -0.01 -0.71 -1.04 -1.26 -4.45 114.28 109.22 2dbf n THR 83 Ca -0.09 -0.12 -0.17 0.00 -2.04 0.00 0.00 64.05 61.63 2dbf n THR 83 Cb 0.51 -0.70 -0.09 0.00 -1.82 0.00 0.00 70.33 68.23 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 0.62 -0.82 -2.82 5.08 -1.98 -2.62 114.58 112.04 2dbf h GLU 84 Ca -0.11 -0.54 0.02 0.00 -1.00 0.00 0.00 59.36 57.73 2dbf h GLU 84 Cb 1.18 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 2dbf h GLU 84 CO -0.02 1.16 0.54 0.00 -1.00 0.00 0.00 179.01 179.69 2dbf h ALA 85 N 0.47 1.46 -0.01 3.43 0.00 -1.97 -1.23 119.26 121.41 2dbf h ALA 85 Ca -0.06 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 2dbf h ALA 85 Cb 1.32 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2dbf h ALA 85 CO 0.14 0.47 -0.70 0.82 0.00 0.00 0.00 179.25 179.98 2dbf h ILE 86 N 1.05 1.49 -0.25 0.00 2.04 -1.78 -3.17 117.51 116.88 2dbf h ILE 86 Ca 0.31 -2.36 -0.16 0.00 1.00 0.00 0.00 64.86 63.65 2dbf h ILE 86 Cb -0.04 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 2dbf h ILE 86 CO -0.08 0.68 -0.49 -0.33 0.00 0.00 0.00 178.15 177.93 2dbf h GLU 87 N 0.03 0.68 -0.54 2.37 4.39 -0.93 -2.15 114.58 118.43 2dbf h GLU 87 Ca -0.01 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.29 2dbf h GLU 87 Cb 1.25 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.90 2dbf h GLU 87 CO 0.10 1.01 0.31 0.28 -1.16 0.00 0.00 179.01 179.55 2dbf h VAL 88 N 0.54 1.16 0.08 3.13 2.07 -1.23 0.62 116.25 122.61 2dbf h VAL 88 Ca 0.03 -0.37 -0.25 0.00 0.82 0.00 0.00 66.70 66.93 2dbf h VAL 88 Cb 1.04 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2dbf h VAL 88 CO 0.10 0.17 -1.11 0.40 0.02 0.00 0.00 177.57 177.15 2dbf h ILE 89 N 0.74 1.50 0.04 4.57 2.04 -1.54 -2.98 117.51 121.89 2dbf h ILE 89 Ca 0.19 -2.91 -0.23 0.00 1.00 0.00 0.00 64.86 62.91 2dbf h ILE 89 Cb -0.01 2.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.84 2dbf h ILE 89 CO -0.03 0.85 -1.02 1.56 0.00 0.00 0.00 178.15 179.51 2dbf h GLN 90 N 0.10 0.28 -0.07 2.37 4.20 -0.86 -2.92 115.11 118.22 2dbf h GLN 90 Ca -0.10 -0.36 -0.10 0.00 0.06 0.00 0.00 58.65 58.15 2dbf h GLN 90 Cb 1.81 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.69 2dbf h GLN 90 CO 0.18 1.09 -0.40 0.00 -0.67 0.00 0.00 178.83 179.03 2dbf h ALA 91 N 0.77 1.19 0.12 3.87 0.00 0.16 -3.32 119.26 122.05 2dbf h ALA 91 Ca -0.08 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2dbf h ALA 91 Cb 1.69 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2dbf h ALA 91 CO 0.17 0.56 -0.06 0.00 0.00 0.00 0.00 179.25 179.92 2dbf h ALA 92 N 1.46 -0.34 -1.84 0.00 0.00 -1.54 -3.43 119.26 113.57 2dbf h ALA 92 Ca 0.01 -0.03 -0.57 0.00 0.00 0.00 0.00 54.91 54.32 2dbf h ALA 92 Cb 0.77 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.56 2dbf h ALA 92 CO 0.06 -0.33 0.89 0.45 0.00 0.00 0.00 179.25 180.32 2dbf s SER 93 N -3.64 6.78 -0.42 0.00 0.15 -1.10 -4.95 113.70 110.53 2dbf s SER 93 Ca -0.02 0.77 0.05 0.00 0.70 0.00 0.00 55.95 57.44 2dbf s SER 93 Cb 0.00 -2.55 0.18 0.00 -1.71 0.00 0.00 66.02 61.95 2dbf s SER 93 CO 0.07 -1.07 0.40 -0.24 1.20 0.00 0.00 173.24 173.60 2dbf n SER 94 N 7.37 -0.63 -2.04 5.45 2.88 -1.26 -4.72 113.62 120.65 2dbf n SER 94 Ca 0.12 -2.46 -0.23 0.00 -1.33 0.00 0.00 58.87 54.96 2dbf n SER 94 Cb 0.48 -0.38 0.15 0.00 -0.75 0.00 0.00 64.21 63.71 2dbf n SER 94 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dbf n SER 95 N 2.63 4.64 -2.80 -3.46 3.41 -1.26 -4.97 113.62 111.81 2dbf n SER 95 Ca 0.28 -3.70 -0.10 0.00 -0.26 0.00 0.00 58.87 55.08 2dbf n SER 95 Cb 0.49 -0.81 -0.02 0.00 -0.26 0.00 0.00 64.21 63.61 2dbf n SER 95 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dbf n GLY 96 N -1.06 3.99 3.77 5.00 0.00 -1.26 -5.12 105.19 110.51 2dbf n GLY 96 Ca 0.55 -2.25 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 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 -2.57 4.34 0.13 1.61 0.04 -1.26 -4.95 135.00 132.34 2dbf s PRO 97 Ca 0.00 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2dbf s PRO 97 Cb 0.00 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2dbf s PRO 97 CO 0.00 -0.12 0.00 0.43 0.04 0.00 0.00 177.00 177.35 2dbf n SER 98 N 0.67 0.23 0.00 6.66 7.64 -1.26 -5.06 113.62 122.50 2dbf n SER 98 Ca 0.01 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2dbf n SER 98 Cb 0.44 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2dbf n SER 98 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dbf n SER 99 N -3.11 0.00 0.00 6.43 2.88 -1.26 -5.32 113.62 113.24 2dbf n SER 99 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2dbf n SER 99 Cb 0.00 0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2dbf n SER 99 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42