#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 2.58 0.45 1.61 0.01 -1.26 -5.16 113.70 111.93 2dbf s SER 2 Ca 0.00 -1.76 -0.07 0.00 1.31 0.00 0.00 55.95 55.43 2dbf s SER 2 Cb 0.00 0.61 -0.05 0.00 0.21 0.00 0.00 66.02 66.80 2dbf s SER 2 CO 0.00 -1.03 0.78 -0.55 0.41 0.00 0.00 173.24 172.85 2dbf s SER 3 N -3.56 6.35 -0.30 2.44 0.15 -1.26 -5.09 113.70 112.43 2dbf s SER 3 Ca 0.28 1.00 -0.14 0.00 0.70 0.00 0.00 55.95 57.79 2dbf s SER 3 Cb 0.01 -2.28 0.16 0.00 -1.71 0.00 0.00 66.02 62.20 2dbf s SER 3 CO 0.19 -0.51 0.90 -0.83 1.20 0.00 0.00 173.24 174.19 2dbf s GLY 4 N -3.76 -0.34 0.03 9.45 0.00 -1.26 -5.08 107.32 106.36 2dbf s GLY 4 Ca 0.49 2.86 0.00 0.00 0.00 0.00 0.00 44.72 48.06 2dbf s GLY 4 CO 0.40 3.20 0.00 1.44 0.00 0.00 0.00 173.10 178.14 2dbf n SER 5 N 5.11 0.16 -4.57 1.64 7.64 -1.26 -5.13 113.62 117.21 2dbf n SER 5 Ca -0.10 0.05 -0.26 0.00 1.01 0.00 0.00 58.87 59.57 2dbf n SER 5 Cb 0.52 -0.03 -0.11 0.00 -1.01 0.00 0.00 64.21 63.58 2dbf n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dbf s SER 6 N -4.95 3.58 -0.04 6.43 1.04 -1.26 -4.97 113.70 113.53 2dbf s SER 6 Ca 0.00 -1.33 0.01 0.00 0.48 0.00 0.00 55.95 55.11 2dbf s SER 6 Cb 0.00 -0.33 -0.03 0.00 0.10 0.00 0.00 66.02 65.75 2dbf s SER 6 CO 0.00 -0.43 -0.05 -0.83 0.98 0.00 0.00 173.24 172.91 2dbf s GLY 7 N -3.65 1.75 -0.66 7.32 0.00 -1.26 -4.77 107.32 106.05 2dbf s GLY 7 Ca 0.35 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 44.15 2dbf s GLY 7 CO 0.17 -0.74 1.60 1.22 0.00 0.00 0.00 173.10 175.35 2dbf n ASP 8 N 1.91 6.21 -0.09 1.64 8.00 0.23 -4.58 116.55 129.87 2dbf n ASP 8 Ca -0.17 -3.78 -0.08 0.00 0.71 0.00 0.00 54.79 51.47 2dbf n ASP 8 Cb 0.53 -0.79 -0.16 0.00 -0.02 0.00 0.00 41.12 40.68 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 -0.50 0.69 -0.12 -1.24 2.81 -1.01 -4.21 117.12 113.54 2dbf n MET 9 Ca 0.47 -0.02 0.03 0.00 -1.81 0.00 0.00 57.70 56.36 2dbf n MET 9 Cb 0.43 -1.52 0.34 0.00 -0.71 0.00 0.00 33.22 31.76 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 0.75 -0.31 0.03 1.57 -1.87 -1.45 116.57 115.29 2dbf h LYS 10 Ca -0.50 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.24 2dbf h LYS 10 Cb 2.13 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 34.26 2dbf h LYS 10 CO 0.03 0.50 0.19 -0.56 -0.57 0.00 0.00 179.45 179.03 2dbf h GLN 11 N 0.77 0.42 -6.79 3.15 3.07 -1.92 -3.42 115.11 110.38 2dbf h GLN 11 Ca 0.23 -0.03 -0.52 0.00 0.09 0.00 0.00 58.65 58.41 2dbf h GLN 11 Cb -0.03 -0.09 0.06 0.00 0.08 0.00 0.00 27.48 27.50 2dbf h GLN 11 CO -0.05 0.29 0.70 -0.51 0.09 0.00 0.00 178.83 179.35 2dbf s LEU 12 N -9.36 4.40 0.67 0.06 1.43 -0.55 -4.98 118.68 110.36 2dbf s LEU 12 Ca -0.07 2.65 -0.16 0.00 -1.03 0.00 0.00 54.13 55.52 2dbf s LEU 12 Cb 0.17 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.77 2dbf s LEU 12 CO 0.72 -0.62 1.18 0.00 0.23 0.00 0.00 176.35 177.86 2dbf s ALA 13 N -0.44 2.33 0.29 4.21 0.00 -1.26 -4.92 121.76 121.97 2dbf s ALA 13 Ca 0.55 0.83 -0.01 0.00 0.00 0.00 0.00 51.96 53.32 2dbf s ALA 13 Cb -0.41 -3.42 0.44 0.00 0.00 0.00 0.00 23.12 19.73 2dbf s ALA 13 CO 0.47 -1.51 1.91 1.49 0.00 0.00 0.00 175.76 178.12 2dbf h GLU 14 N 0.13 0.97 -0.14 0.00 4.57 -1.93 -1.94 114.58 116.24 2dbf h GLU 14 Ca -0.48 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 57.53 2dbf h GLU 14 Cb 1.28 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 2dbf h GLU 14 CO 0.52 0.72 -0.19 -0.44 -1.18 0.00 0.00 179.01 178.45 2dbf h ASP 15 N 0.97 0.22 -0.29 1.04 5.19 -1.99 -1.27 116.42 120.30 2dbf h ASP 15 Ca 0.25 -0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.60 2dbf h ASP 15 Cb 0.04 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.48 2dbf h ASP 15 CO -0.04 0.42 0.16 0.58 -3.12 0.00 0.00 179.24 177.24 2dbf h VAL 16 N 0.21 1.12 0.00 -1.35 2.07 -1.71 -2.49 116.25 114.11 2dbf h VAL 16 Ca 0.04 -0.32 -0.14 0.00 0.82 0.00 0.00 66.70 67.09 2dbf h VAL 16 Cb 0.46 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 2dbf h VAL 16 CO 0.03 0.12 -0.68 0.11 0.02 0.00 0.00 177.57 177.17 2dbf h LYS 17 N 0.35 0.00 -0.91 1.57 6.56 -1.43 -3.18 116.57 119.53 2dbf h LYS 17 Ca 0.10 0.00 0.01 0.00 -1.06 0.00 0.00 60.65 59.70 2dbf h LYS 17 Cb 0.06 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 31.67 2dbf h LYS 17 CO -0.02 0.68 0.59 -0.07 -2.06 0.00 0.00 179.45 178.58 2dbf h LEU 18 N 0.00 1.06 -0.94 2.94 3.38 -0.92 -1.93 115.31 118.90 2dbf h LEU 18 Ca -0.01 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 2dbf h LEU 18 Cb 1.26 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2dbf h LEU 18 CO 0.09 0.78 -0.44 1.56 0.09 0.00 0.00 178.44 180.52 2dbf h GLN 19 N 1.24 0.19 -0.89 1.13 4.20 -1.43 -2.99 115.11 116.55 2dbf h GLN 19 Ca 0.33 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.96 2dbf h GLN 19 Cb -0.12 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.61 2dbf h GLN 19 CO -0.07 0.60 0.59 -0.07 -0.67 0.00 0.00 178.83 179.21 2dbf h LEU 20 N 0.16 1.01 -0.54 1.46 3.38 -1.37 -2.32 115.31 117.09 2dbf h LEU 20 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2dbf h LEU 20 Cb 0.84 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 2dbf h LEU 20 CO 0.07 0.73 0.31 1.88 0.09 0.00 0.00 178.44 181.52 2dbf h TYR 21 N 1.19 0.72 -0.11 1.13 0.05 -1.38 -0.96 116.97 117.61 2dbf h TYR 21 Ca 0.33 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 59.07 2dbf h TYR 21 Cb -0.11 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.39 2dbf h TYR 21 CO -0.00 0.51 -0.10 -0.22 -1.05 0.00 0.00 178.16 177.30 2dbf h LYS 22 N 0.72 0.17 -0.00 4.88 3.64 -1.48 0.58 116.57 125.08 2dbf h LYS 22 Ca 0.19 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2dbf h LYS 22 Cb 0.01 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2dbf h LYS 22 CO -0.03 0.28 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.34 2dbf h LEU 23 N 0.17 0.02 -1.44 5.20 3.38 -0.89 -3.23 115.31 118.52 2dbf h LEU 23 Ca 0.04 -0.65 -0.06 0.00 0.09 0.00 0.00 57.88 57.30 2dbf h LEU 23 Cb 0.29 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2dbf h LEU 23 CO 0.02 0.67 -0.26 -0.07 0.09 0.00 0.00 178.44 178.88 2dbf h LEU 24 N -0.62 0.00 -2.16 1.67 3.38 -1.03 -2.67 115.31 113.88 2dbf h LEU 24 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2dbf h LEU 24 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2dbf h LEU 24 CO 0.00 0.26 0.26 -0.08 0.09 0.00 0.00 178.44 178.98 2dbf h GLU 25 N 0.00 0.00 -6.42 1.13 4.81 -0.90 -3.04 114.58 110.16 2dbf h GLU 25 Ca -0.00 0.00 -0.53 0.00 -0.13 0.00 0.00 59.36 58.69 2dbf h GLU 25 Cb 0.57 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.97 2dbf h GLU 25 CO 0.03 0.00 1.10 0.42 -0.73 0.00 0.00 179.01 179.83 2dbf s ILE 26 N -4.65 2.97 -1.20 2.32 1.01 -1.01 -4.87 121.20 115.77 2dbf s ILE 26 Ca -0.05 0.28 -0.08 0.00 0.00 0.00 0.00 60.65 60.80 2dbf s ILE 26 Cb 0.15 -3.18 -0.07 0.00 0.01 0.00 0.00 42.46 39.37 2dbf s ILE 26 CO 0.56 -0.01 2.43 -0.81 0.00 0.00 0.00 174.94 177.11 2dbf n PRO 27 N 6.31 2.71 -4.17 2.79 -0.04 -1.26 -4.10 135.00 137.23 2dbf n PRO 27 Ca 0.18 -1.81 -0.29 0.00 -0.04 0.00 0.00 63.50 61.54 2dbf n PRO 27 Cb 0.40 -2.64 -0.08 0.00 -0.04 0.00 0.00 33.50 31.14 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 3.01 4.81 0.39 3.54 1.11 -1.26 -5.03 116.67 123.24 2dbf s ASP 28 Ca 0.52 -0.30 0.17 0.00 0.18 0.00 0.00 52.55 53.12 2dbf s ASP 28 Cb 0.13 -1.06 0.79 0.00 1.07 0.00 0.00 42.92 43.85 2dbf s ASP 28 CO -0.04 0.14 1.81 1.55 1.18 0.00 0.00 175.17 179.81 2dbf h PRO 29 N 3.17 0.00 -0.01 8.23 0.13 -1.99 -3.03 132.00 138.49 2dbf h PRO 29 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2dbf h PRO 29 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2dbf h PRO 29 CO 0.58 0.36 -0.51 -0.40 -0.23 0.00 0.00 178.00 177.79 2dbf n ASP 30 N -3.79 1.73 -2.55 1.44 5.68 -1.26 -4.68 116.55 113.12 2dbf n ASP 30 Ca -0.01 -3.87 -0.03 0.00 -0.50 0.00 0.00 54.79 50.38 2dbf n ASP 30 Cb 0.44 -0.52 0.11 0.00 -1.14 0.00 0.00 41.12 40.00 2dbf n ASP 30 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2dbf n LYS 31 N -1.08 1.17 -4.38 0.11 5.02 -1.17 -4.29 118.16 113.54 2dbf n LYS 31 Ca 0.19 -1.16 -0.24 0.00 -2.02 0.00 0.00 58.31 55.08 2dbf n LYS 31 Cb 0.70 0.31 -0.09 0.00 -0.02 0.00 0.00 35.03 35.93 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 -1.00 4.09 0.21 4.39 3.04 -1.15 -4.24 114.94 120.27 2dbf s ASN 32 Ca 0.10 -0.85 -0.05 0.00 0.04 0.00 0.00 52.86 52.09 2dbf s ASN 32 Cb 0.39 -0.57 0.16 0.00 -1.54 0.00 0.00 41.25 39.68 2dbf s ASN 32 CO -0.11 -0.01 1.63 4.11 -3.04 0.00 0.00 177.10 179.69 2dbf h TRP 33 N 2.05 0.95 -0.67 0.43 5.08 -1.82 -2.83 115.95 119.12 2dbf h TRP 33 Ca -0.42 -0.20 0.01 0.00 1.08 0.00 0.00 58.89 59.35 2dbf h TRP 33 Cb 1.25 -0.23 -0.03 0.00 -3.00 0.00 0.00 29.16 27.15 2dbf h TRP 33 CO 0.74 0.95 0.44 0.00 -1.28 0.00 0.00 178.44 179.29 2dbf h ALA 34 N 1.05 0.86 -0.79 0.11 0.00 -1.94 -0.51 119.26 118.04 2dbf h ALA 34 Ca 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2dbf h ALA 34 Cb 0.70 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2dbf h ALA 34 CO 0.05 0.27 0.36 1.15 0.00 0.00 0.00 179.25 181.07 2dbf h THR 35 N 0.90 1.25 -0.12 0.00 2.02 -1.89 -2.43 112.91 112.64 2dbf h THR 35 Ca 0.25 -0.75 -0.10 0.00 0.77 0.00 0.00 66.41 66.58 2dbf h THR 35 Cb -0.09 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 2dbf h THR 35 CO -0.06 0.31 -0.39 0.25 0.37 0.00 0.00 175.52 176.00 2dbf h LEU 36 N 1.13 0.27 -1.48 2.58 5.85 -1.20 -2.77 115.31 119.68 2dbf h LEU 36 Ca 0.27 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2dbf h LEU 36 Cb 0.16 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2dbf h LEU 36 CO -0.03 0.64 0.10 0.00 -0.34 0.00 0.00 178.44 178.81 2dbf h ALA 37 N 1.37 1.59 0.05 1.25 0.00 -0.61 -0.74 119.26 122.18 2dbf h ALA 37 Ca 0.02 -0.11 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 2dbf h ALA 37 Cb 0.79 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2dbf h ALA 37 CO 0.06 0.31 -1.03 1.96 0.00 0.00 0.00 179.25 180.56 2dbf h GLN 38 N 0.44 0.24 0.16 0.00 4.20 -1.31 0.63 115.11 119.47 2dbf h GLN 38 Ca 0.11 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 2dbf h GLN 38 Cb 0.14 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2dbf h GLN 38 CO -0.01 1.08 -0.08 0.87 -0.67 0.00 0.00 178.83 180.03 2dbf h LYS 39 N 0.11 -0.20 0.17 1.46 6.56 -1.16 -3.36 116.57 120.15 2dbf h LYS 39 Ca -0.08 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.52 2dbf h LYS 39 Cb 1.70 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 33.41 2dbf h LYS 39 CO 0.16 0.19 -0.08 -0.07 -2.06 0.00 0.00 179.45 177.59 2dbf h LEU 40 N -0.66 -0.19 0.00 2.94 3.38 -1.27 -3.48 115.31 116.03 2dbf h LEU 40 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2dbf h LEU 40 Cb 0.49 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2dbf h LEU 40 CO 0.04 -0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.04 2dbf n GLY 41 N -1.06 0.00 1.58 0.83 0.00 -1.04 -5.06 105.19 100.45 2dbf n GLY 41 Ca -0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.01 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 0.72 0.22 0.99 4.77 0.22 -4.89 117.00 119.02 2dbf n LEU 42 Ca 0.00 -2.13 0.06 0.00 -0.03 0.00 0.00 56.01 53.91 2dbf n LEU 42 Cb 0.00 0.05 0.49 0.00 -2.33 0.00 0.00 43.42 41.63 2dbf n LEU 42 CO 0.00 0.72 0.84 1.23 -1.33 0.00 0.00 177.39 178.85 2dbf h GLY 43 N 1.02 0.00 1.92 -0.72 0.00 -1.71 -2.47 103.07 101.11 2dbf h GLY 43 Ca -0.27 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 2dbf h GLY 43 CO 0.05 0.00 -0.51 1.19 0.00 0.00 0.00 176.54 177.27 2dbf h ILE 44 N 0.00 1.36 -0.96 2.60 6.09 -1.90 -2.90 117.51 121.80 2dbf h ILE 44 Ca -0.00 -1.75 -0.50 0.00 -1.37 0.00 0.00 64.86 61.24 2dbf h ILE 44 Cb 0.48 1.90 -0.30 0.00 0.47 0.00 0.00 36.82 39.38 2dbf h ILE 44 CO 0.03 0.51 0.61 0.18 -3.07 0.00 0.00 178.15 176.41 2dbf n LEU 45 N -3.94 6.58 -0.10 2.19 4.77 -0.94 -4.51 117.00 121.05 2dbf n LEU 45 Ca -0.02 -3.62 -0.09 0.00 -0.03 0.00 0.00 56.01 52.25 2dbf n LEU 45 Cb 0.53 -0.83 0.06 0.00 -2.33 0.00 0.00 43.42 40.86 2dbf n LEU 45 CO 0.41 1.07 0.68 0.78 -1.33 0.00 0.00 177.39 179.00 2dbf h ASN 46 N 1.00 0.84 0.16 -1.43 2.35 -1.40 -2.95 115.58 114.15 2dbf h ASN 46 Ca 0.61 -0.32 -0.13 0.00 -0.55 0.00 0.00 56.30 55.91 2dbf h ASN 46 Cb 2.80 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 40.93 2dbf h ASN 46 CO 1.06 1.05 -0.48 0.78 -1.65 0.00 0.00 177.43 178.19 2dbf h ASN 47 N 0.71 0.41 -0.36 5.81 -0.26 -1.84 -2.42 115.58 117.61 2dbf h ASN 47 Ca 0.09 -0.20 -0.01 0.00 -0.56 0.00 0.00 56.30 55.63 2dbf h ASN 47 Cb 0.77 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.90 2dbf h ASN 47 CO 0.06 0.83 0.21 0.00 -1.06 0.00 0.00 177.43 177.47 2dbf h ALA 48 N 1.19 1.64 0.14 -0.83 0.00 -1.84 -2.23 119.26 117.33 2dbf h ALA 48 Ca 0.02 -0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 2dbf h ALA 48 Cb 0.96 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.60 2dbf h ALA 48 CO 0.08 0.30 -1.32 0.74 0.00 0.00 0.00 179.25 179.05 2dbf h PHE 49 N 0.54 0.54 -0.87 0.00 0.04 -1.42 -3.23 116.94 112.54 2dbf h PHE 49 Ca 0.14 -0.40 0.03 0.00 2.80 0.00 0.00 57.97 60.54 2dbf h PHE 49 Cb 0.02 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.10 2dbf h PHE 49 CO 0.00 1.33 0.56 -0.09 -0.60 0.00 0.00 178.31 179.51 2dbf h ARG 50 N 0.08 1.07 -0.09 1.51 2.43 -0.93 -1.64 114.38 116.81 2dbf h ARG 50 Ca -0.17 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 58.86 2dbf h ARG 50 Cb 2.00 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 31.30 2dbf h ARG 50 CO 0.21 0.71 -0.31 -0.07 -1.51 0.00 0.00 179.97 178.99 2dbf h LEU 51 N 1.10 0.16-10.26 3.80 3.38 -1.51 -3.45 115.31 108.54 2dbf h LEU 51 Ca 0.34 -0.05 -0.52 0.00 0.09 0.00 0.00 57.88 57.74 2dbf h LEU 51 Cb -0.03 -0.04 0.14 0.00 0.09 0.00 0.00 40.66 40.82 2dbf h LEU 51 CO -0.11 0.47 0.32 -0.44 0.09 0.00 0.00 178.44 178.78 2dbf s SER 52 N -6.90 4.22 0.37 -0.43 0.01 -0.62 -4.93 113.70 105.43 2dbf s SER 52 Ca -0.04 2.03 0.08 0.00 1.31 0.00 0.00 55.95 59.33 2dbf s SER 52 Cb 0.14 -2.55 0.74 0.00 0.21 0.00 0.00 66.02 64.56 2dbf s SER 52 CO 0.74 -2.23 1.90 1.55 0.41 0.00 0.00 173.24 175.62 2dbf h PRO 53 N -0.92 0.30 -2.69 12.44 0.13 -1.86 -3.36 132.00 136.04 2dbf h PRO 53 Ca -0.45 -0.07 -0.60 0.00 -0.87 0.00 0.00 66.00 64.02 2dbf h PRO 53 Cb 1.25 -0.04 -0.39 0.00 0.13 0.00 0.00 31.00 31.95 2dbf h PRO 53 CO 0.49 0.42 -0.83 0.00 -0.23 0.00 0.00 178.00 177.86 2dbf s ALA 54 N -4.77 1.75 0.55 -0.56 0.00 -1.26 -4.98 121.76 112.49 2dbf s ALA 54 Ca -0.06 -2.48 0.29 0.00 0.00 0.00 0.00 51.96 49.71 2dbf s ALA 54 Cb 0.15 -1.74 1.45 0.00 0.00 0.00 0.00 23.12 22.98 2dbf s ALA 54 CO 0.74 -2.05 1.94 -1.35 0.00 0.00 0.00 175.76 175.03 2dbf h PRO 55 N 6.32 0.00 0.00 0.00 0.11 -1.71 0.20 132.00 136.92 2dbf h PRO 55 Ca 0.11 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.04 2dbf h PRO 55 Cb 0.91 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.01 2dbf h PRO 55 CO 0.41 0.00 -0.84 0.66 -0.21 0.00 0.00 178.00 178.02 2dbf h SER 56 N 0.00 0.11 0.18 -2.05 4.64 -1.92 -2.46 113.55 112.06 2dbf h SER 56 Ca 0.31 -0.09 -0.29 0.00 -0.47 0.00 0.00 61.79 61.25 2dbf h SER 56 Cb 1.32 -0.04 0.03 0.00 -0.31 0.00 0.00 62.40 63.41 2dbf h SER 56 CO -0.00 0.90 -1.25 0.50 -0.87 0.00 0.00 176.83 176.11 2dbf h LYS 57 N 0.05 0.52 -0.04 4.77 3.64 -1.06 -3.26 116.57 121.18 2dbf h LYS 57 Ca -0.02 -0.81 -0.09 0.00 -1.27 0.00 0.00 60.65 58.46 2dbf h LYS 57 Cb 1.47 0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 33.57 2dbf h LYS 57 CO 0.12 1.38 -0.38 1.15 -2.27 0.00 0.00 179.45 179.44 2dbf h THR 58 N 0.08 1.29 0.53 1.00 2.02 -1.19 -2.87 112.91 113.78 2dbf h THR 58 Ca -0.21 -1.37 -0.03 0.00 0.77 0.00 0.00 66.41 65.57 2dbf h THR 58 Cb 1.96 1.69 0.01 0.00 -1.74 0.00 0.00 68.15 70.06 2dbf h THR 58 CO 0.24 0.40 -0.25 0.25 0.37 0.00 0.00 175.52 176.52 2dbf h LEU 59 N 0.07 -0.60 -1.82 2.58 5.85 -1.50 -0.64 115.31 119.25 2dbf h LEU 59 Ca 0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2dbf h LEU 59 Cb 0.72 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 2dbf h LEU 59 CO 0.05 -0.43 0.12 0.24 -0.34 0.00 0.00 178.44 178.09 2dbf h MET 60 N -0.72 0.23 -0.05 1.25 2.86 -1.59 0.13 114.93 117.04 2dbf h MET 60 Ca -0.07 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.43 2dbf h MET 60 Cb 0.55 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 2dbf h MET 60 CO 0.12 0.15 -0.55 -0.44 1.06 0.00 0.00 176.91 177.26 2dbf h ASP 61 N 0.24 0.15 0.17 1.22 3.32 -1.23 -0.85 116.42 119.44 2dbf h ASP 61 Ca 0.07 -0.08 -0.27 0.00 0.02 0.00 0.00 57.03 56.77 2dbf h ASP 61 Cb -0.01 -0.04 0.02 0.00 0.22 0.00 0.00 39.33 39.51 2dbf h ASP 61 CO -0.01 0.67 -1.26 0.78 -1.72 0.00 0.00 179.24 177.70 2dbf h ASN 62 N 0.11 0.55 -0.04 6.45 2.35 0.15 -3.18 115.58 121.96 2dbf h ASN 62 Ca -0.00 -0.92 -0.09 0.00 -0.55 0.00 0.00 56.30 54.74 2dbf h ASN 62 Cb 1.00 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 2dbf h ASN 62 CO 0.08 1.58 -0.25 0.22 -1.65 0.00 0.00 177.43 177.41 2dbf h TYR 63 N -0.18 0.51 -0.64 1.19 3.20 -0.82 -0.37 116.97 119.87 2dbf h TYR 63 Ca -0.24 -0.11 -0.08 0.00 3.14 0.00 0.00 58.73 61.44 2dbf h TYR 63 Cb 1.85 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.97 2dbf h TYR 63 CO 0.15 0.68 0.07 1.49 -1.64 0.00 0.00 178.16 178.91 2dbf h GLU 64 N 0.41 1.08 0.00 1.82 4.81 -1.27 0.13 114.58 121.56 2dbf h GLU 64 Ca 0.06 -0.31 -0.16 0.00 -0.13 0.00 0.00 59.36 58.82 2dbf h GLU 64 Cb 0.66 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 2dbf h GLU 64 CO 0.05 1.02 -0.76 0.28 -0.73 0.00 0.00 179.01 178.87 2dbf h VAL 65 N 0.99 1.35 -0.92 0.32 2.07 -1.49 -3.16 116.25 115.42 2dbf h VAL 65 Ca 0.19 -2.78 -0.52 0.00 0.82 0.00 0.00 66.70 64.41 2dbf h VAL 65 Cb 0.48 2.58 -0.28 0.00 -1.52 0.00 0.00 31.29 32.55 2dbf h VAL 65 CO 0.02 0.74 0.67 -1.20 0.02 0.00 0.00 177.57 177.82 2dbf n SER 66 N -3.36 4.94 -1.03 0.57 7.64 -0.16 -4.87 113.62 117.35 2dbf n SER 66 Ca 0.01 -3.54 0.00 0.00 1.01 0.00 0.00 58.87 56.35 2dbf n SER 66 Cb 0.81 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 -0.91 -0.19 3.60 0.23 0.00 -0.94 -4.93 105.19 102.04 2dbf n GLY 67 Ca 0.56 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.94 1.89 0.28 -0.02 0.00 0.40 -4.77 107.32 104.15 2dbf s GLY 68 Ca 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 44.72 43.93 2dbf s GLY 68 CO 0.00 0.94 -0.08 -0.51 0.00 0.00 0.00 173.10 173.45 2dbf s THR 69 N 2.03 1.81 -0.03 0.90 -4.23 -1.26 0.77 115.64 115.63 2dbf s THR 69 Ca 0.14 -2.17 0.05 0.00 -1.18 0.00 0.00 61.69 58.53 2dbf s THR 69 Cb -0.16 -2.42 -0.24 0.00 1.34 0.00 0.00 72.50 71.01 2dbf s THR 69 CO 0.10 -0.33 0.70 0.58 -0.54 0.00 0.00 174.62 175.14 2dbf h VAL 70 N 2.27 0.94 -0.51 2.29 2.07 -1.98 -3.21 116.25 118.12 2dbf h VAL 70 Ca -0.40 -2.71 0.00 0.00 0.82 0.00 0.00 66.70 64.41 2dbf h VAL 70 Cb 1.24 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 33.53 2dbf h VAL 70 CO 0.67 0.68 0.33 -0.09 0.02 0.00 0.00 177.57 179.18 2dbf h ARG 71 N 0.03 0.67 0.04 1.57 2.43 -1.97 -0.68 114.38 116.47 2dbf h ARG 71 Ca -0.28 -0.04 -0.23 0.00 -0.81 0.00 0.00 59.98 58.62 2dbf h ARG 71 Cb 2.00 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 31.38 2dbf h ARG 71 CO 0.10 0.45 -1.07 0.93 -1.51 0.00 0.00 179.97 178.88 2dbf h GLU 72 N 0.69 0.08 -0.24 0.20 4.39 -2.00 -3.05 114.58 114.65 2dbf h GLU 72 Ca 0.18 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.68 2dbf h GLU 72 Cb -0.06 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2dbf h GLU 72 CO -0.04 1.06 -0.11 1.25 -1.16 0.00 0.00 179.01 180.01 2dbf h LEU 73 N 0.02 0.51 -0.86 1.33 5.85 -1.37 -0.59 115.31 120.21 2dbf h LEU 73 Ca -0.05 -0.41 -0.06 0.00 0.84 0.00 0.00 57.88 58.21 2dbf h LEU 73 Cb 1.82 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.68 2dbf h LEU 73 CO 0.15 0.80 0.18 0.58 -0.34 0.00 0.00 178.44 179.82 2dbf h VAL 74 N 0.21 1.25 -0.22 1.05 2.07 -1.25 -2.02 116.25 117.34 2dbf h VAL 74 Ca 0.05 -0.89 -0.09 0.00 0.82 0.00 0.00 66.70 66.59 2dbf h VAL 74 Cb 0.61 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2dbf h VAL 74 CO 0.03 0.34 -0.23 -0.33 0.02 0.00 0.00 177.57 177.41 2dbf h GLU 75 N 0.99 0.53 -0.32 1.57 5.08 -1.48 -2.69 114.58 118.26 2dbf h GLU 75 Ca 0.21 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2dbf h GLU 75 Cb 0.31 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2dbf h GLU 75 CO -0.00 0.87 0.21 0.00 -1.00 0.00 0.00 179.01 179.09 2dbf h ALA 76 N 0.65 1.79 -0.14 3.43 0.00 -0.94 -1.02 119.26 123.03 2dbf h ALA 76 Ca 0.03 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2dbf h ALA 76 Cb 0.78 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2dbf h ALA 76 CO 0.06 0.19 -0.60 -0.07 0.00 0.00 0.00 179.25 178.83 2dbf h LEU 77 N 0.42 0.53 -0.54 0.00 3.38 -1.26 -2.92 115.31 114.91 2dbf h LEU 77 Ca 0.12 -0.30 -0.16 0.00 0.09 0.00 0.00 57.88 57.63 2dbf h LEU 77 Cb -0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2dbf h LEU 77 CO -0.03 1.00 -0.66 -0.09 0.09 0.00 0.00 178.44 178.76 2dbf h ARG 78 N 0.35 0.30 -0.34 1.13 2.43 -0.97 0.52 114.38 117.80 2dbf h ARG 78 Ca -0.00 -0.22 -0.08 0.00 -0.81 0.00 0.00 59.98 58.86 2dbf h ARG 78 Cb 1.14 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 2dbf h ARG 78 CO 0.11 0.85 -0.13 1.96 -1.51 0.00 0.00 179.97 181.25 2dbf h GLN 79 N 0.21 0.59 0.14 0.20 4.20 -1.16 -3.07 115.11 116.22 2dbf h GLN 79 Ca -0.01 -0.18 -0.32 0.00 0.06 0.00 0.00 58.65 58.20 2dbf h GLN 79 Cb 1.20 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.92 2dbf h GLN 79 CO 0.11 0.70 -1.55 0.52 -0.67 0.00 0.00 178.83 177.94 2dbf h MET 80 N 0.54 0.30 0.00 1.46 2.86 -1.44 -3.48 114.93 115.17 2dbf h MET 80 Ca 0.10 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 57.22 2dbf h MET 80 Cb 0.53 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.39 2dbf h MET 80 CO 0.03 1.19 0.00 0.41 1.06 0.00 0.00 176.91 179.60 2dbf n GLY 81 N 1.70 1.97 3.77 8.32 0.00 -0.17 -4.71 105.19 116.07 2dbf n GLY 81 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 3.87 -0.00 1.61 2.02 0.17 -4.96 117.35 118.05 2dbf s TYR 82 Ca 0.00 1.75 -0.00 0.00 -0.37 0.00 0.00 57.07 58.45 2dbf s TYR 82 Cb 0.00 -2.86 -0.00 0.00 -0.40 0.00 0.00 41.96 38.70 2dbf s TYR 82 CO 0.00 0.42 -0.00 2.41 -1.57 0.00 0.00 175.55 176.81 2dbf n THR 83 N 1.26 0.00 0.10 -0.71 -1.04 -1.26 -4.56 114.28 108.08 2dbf n THR 83 Ca -0.02 -0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.95 2dbf n THR 83 Cb 0.49 -1.07 0.12 0.00 -1.82 0.00 0.00 70.33 68.04 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 0.13 -0.75 -2.82 5.08 -2.00 -2.80 114.58 111.43 2dbf h GLU 84 Ca -0.00 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 2dbf h GLU 84 Cb 1.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 2dbf h GLU 84 CO -0.00 0.73 0.24 0.00 -1.00 0.00 0.00 179.01 178.98 2dbf h ALA 85 N 1.24 1.00 -0.27 3.43 0.00 -1.96 -2.37 119.26 120.33 2dbf h ALA 85 Ca -0.01 -0.23 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 2dbf h ALA 85 Cb 1.16 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2dbf h ALA 85 CO 0.09 0.67 -0.57 0.82 0.00 0.00 0.00 179.25 180.26 2dbf h ILE 86 N 1.11 1.28 -0.44 0.00 2.04 -1.80 -3.11 117.51 116.60 2dbf h ILE 86 Ca 0.24 -1.76 -0.00 0.00 1.00 0.00 0.00 64.86 64.34 2dbf h ILE 86 Cb 0.30 1.67 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 2dbf h ILE 86 CO -0.01 0.57 0.27 -0.33 0.00 0.00 0.00 178.15 178.65 2dbf h GLU 87 N 0.64 0.58 -0.06 2.37 5.08 -1.31 0.39 114.58 122.27 2dbf h GLU 87 Ca 0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2dbf h GLU 87 Cb 1.17 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 2dbf h GLU 87 CO 0.12 0.40 -0.05 0.28 -1.00 0.00 0.00 179.01 178.77 2dbf h VAL 88 N 0.60 1.08 0.02 3.13 2.07 -1.35 0.54 116.25 122.34 2dbf h VAL 88 Ca 0.16 -0.34 -0.35 0.00 0.82 0.00 0.00 66.70 66.98 2dbf h VAL 88 Cb -0.03 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 2dbf h VAL 88 CO -0.03 0.11 -2.13 -0.38 0.02 0.00 0.00 177.57 175.15 2dbf n ILE 89 N -4.42 1.54 0.03 4.57 5.41 -0.54 -2.99 119.36 122.96 2dbf n ILE 89 Ca -0.02 -0.76 -0.15 0.00 1.00 0.00 0.00 62.75 62.83 2dbf n ILE 89 Cb 0.16 -1.01 -0.04 0.00 -0.71 0.00 0.00 39.64 38.04 2dbf n ILE 89 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 2dbf h GLN 90 N 0.01 0.59 0.07 0.38 4.20 -0.06 -0.22 115.11 120.09 2dbf h GLN 90 Ca -0.45 -0.53 -0.25 0.00 0.06 0.00 0.00 58.65 57.47 2dbf h GLN 90 Cb 2.08 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.97 2dbf h GLN 90 CO 0.03 1.15 -1.21 0.00 -0.67 0.00 0.00 178.83 178.13 2dbf h ALA 91 N 0.68 0.27 0.10 3.87 0.00 -0.11 -3.38 119.26 120.70 2dbf h ALA 91 Ca -0.06 -0.96 -0.00 0.00 0.00 0.00 0.00 54.91 53.88 2dbf h ALA 91 Cb 1.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2dbf h ALA 91 CO 0.16 1.15 -0.05 0.00 0.00 0.00 0.00 179.25 180.51 2dbf h ALA 92 N 0.77 -0.14 -3.01 0.00 0.00 -1.58 -3.44 119.26 111.86 2dbf h ALA 92 Ca -0.11 -0.19 -0.67 0.00 0.00 0.00 0.00 54.91 53.94 2dbf h ALA 92 Cb 1.90 0.05 -0.26 0.00 0.00 0.00 0.00 17.79 19.48 2dbf h ALA 92 CO 0.16 -0.16 -0.63 -1.54 0.00 0.00 0.00 179.25 177.08 2dbf s SER 93 N -5.59 5.04 0.13 0.00 1.04 -0.09 -4.90 113.70 109.33 2dbf s SER 93 Ca -0.09 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.73 2dbf s SER 93 Cb -0.00 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 64.25 2dbf s SER 93 CO 0.32 -0.15 0.00 -1.20 0.98 0.00 0.00 173.24 173.19 2dbf n SER 94 N 4.86 0.09 0.00 7.02 7.64 -1.26 -4.31 113.62 127.66 2dbf n SER 94 Ca -0.15 0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2dbf n SER 94 Cb 0.49 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2dbf n SER 94 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dbf n SER 95 N -3.09 0.00 0.00 6.43 2.88 -1.26 -4.46 113.62 114.11 2dbf n SER 95 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2dbf n SER 95 Cb 0.07 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 2dbf n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbf n GLY 96 N 0.00 -0.56 3.59 0.46 0.00 -1.26 -5.09 105.19 102.32 2dbf n GLY 96 Ca 0.00 0.53 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 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 0.82 3.40 -0.16 1.61 0.04 -1.26 -4.99 135.00 134.45 2dbf s PRO 97 Ca 0.00 0.83 0.02 0.00 0.04 0.00 0.00 61.00 61.89 2dbf s PRO 97 Cb 0.00 -4.10 0.01 0.00 0.04 0.00 0.00 34.50 30.45 2dbf s PRO 97 CO 0.00 -1.80 -0.20 -1.54 0.04 0.00 0.00 177.00 173.50 2dbf s SER 98 N 4.65 3.21 -0.41 6.66 1.04 -1.26 -5.09 113.70 122.49 2dbf s SER 98 Ca 0.61 -0.60 -0.27 0.00 0.48 0.00 0.00 55.95 56.17 2dbf s SER 98 Cb -0.14 -1.48 0.02 0.00 0.10 0.00 0.00 66.02 64.53 2dbf s SER 98 CO 0.30 0.05 1.02 -0.55 0.98 0.00 0.00 173.24 175.03 2dbf s SER 99 N 1.01 6.67 0.00 7.02 0.15 -1.26 -5.24 113.70 122.06 2dbf s SER 99 Ca -0.02 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.17 2dbf s SER 99 Cb -0.15 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2dbf s SER 99 CO -0.06 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 173.97