#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbf n SER 2 N 0.00 0.34 -2.61 1.61 2.88 -1.26 -4.83 113.62 109.75 2dbf n SER 2 Ca 0.00 0.12 -0.18 0.00 -1.33 0.00 0.00 58.87 57.48 2dbf n SER 2 Cb 0.00 -0.55 0.01 0.00 -0.75 0.00 0.00 64.21 62.92 2dbf n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dbf n SER 3 N -2.81 3.02 0.00 -3.46 2.88 -1.26 -5.06 113.62 106.93 2dbf n SER 3 Ca -0.02 -3.22 0.00 0.00 -1.33 0.00 0.00 58.87 54.30 2dbf n SER 3 Cb 0.08 -0.50 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 2dbf n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbf n GLY 4 N -0.24 1.99 3.21 0.46 0.00 -1.26 -5.12 105.19 104.21 2dbf n GLY 4 Ca 0.24 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 2dbf n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dbf s SER 5 N 0.00 -0.39 0.00 1.61 1.04 -1.26 -4.39 113.70 110.31 2dbf s SER 5 Ca 0.00 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.16 2dbf s SER 5 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2dbf s SER 5 CO 0.00 -0.16 0.00 -1.20 0.98 0.00 0.00 173.24 172.86 2dbf n SER 6 N 3.67 1.28 -3.45 7.02 7.64 -1.26 -4.83 113.62 123.68 2dbf n SER 6 Ca -0.19 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.50 2dbf n SER 6 Cb 0.56 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.68 2dbf n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dbf s GLY 7 N -4.30 2.20 -0.39 0.23 0.00 -1.26 -4.54 107.32 99.26 2dbf s GLY 7 Ca 0.00 -2.01 0.11 0.00 0.00 0.00 0.00 44.72 42.81 2dbf s GLY 7 CO 0.00 -1.45 1.15 1.22 0.00 0.00 0.00 173.10 174.02 2dbf n ASP 8 N -1.39 -0.94 -0.03 1.64 8.00 0.27 -4.93 116.55 119.16 2dbf n ASP 8 Ca 0.07 -2.85 0.03 0.00 0.71 0.00 0.00 54.79 52.75 2dbf n ASP 8 Cb 0.63 0.69 -0.15 0.00 -0.02 0.00 0.00 41.12 42.26 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 -0.17 0.67 0.01 -1.24 2.81 -0.75 -4.06 117.12 114.38 2dbf n MET 9 Ca 0.05 -0.09 0.18 0.00 -1.81 0.00 0.00 57.70 56.03 2dbf n MET 9 Cb 0.79 -1.55 0.66 0.00 -0.71 0.00 0.00 33.22 32.40 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 0.05 -0.04 0.03 1.57 -1.91 0.90 116.57 117.17 2dbf h LYS 10 Ca -0.20 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 2dbf h LYS 10 Cb 1.48 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.77 2dbf h LYS 10 CO 0.01 0.04 -0.09 -0.56 -0.57 0.00 0.00 179.45 178.28 2dbf h GLN 11 N 0.06 0.06 -6.36 3.15 3.07 -1.99 -3.42 115.11 109.68 2dbf h GLN 11 Ca 0.24 -0.01 -0.55 0.00 0.09 0.00 0.00 58.65 58.42 2dbf h GLN 11 Cb 0.87 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.41 2dbf h GLN 11 CO -0.02 0.16 0.83 -0.51 0.09 0.00 0.00 178.83 179.38 2dbf s LEU 12 N -8.84 4.31 0.80 0.06 1.43 0.31 -4.99 118.68 111.75 2dbf s LEU 12 Ca -0.05 2.07 -0.12 0.00 -1.03 0.00 0.00 54.13 55.00 2dbf s LEU 12 Cb 0.16 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.90 2dbf s LEU 12 CO 0.69 -0.71 1.16 0.00 0.23 0.00 0.00 176.35 177.72 2dbf s ALA 13 N 2.46 1.94 0.18 4.21 0.00 -1.26 -4.90 121.76 124.40 2dbf s ALA 13 Ca 0.63 0.64 -0.10 0.00 0.00 0.00 0.00 51.96 53.14 2dbf s ALA 13 Cb -0.30 -3.42 0.08 0.00 0.00 0.00 0.00 23.12 19.48 2dbf s ALA 13 CO 0.26 -2.13 1.68 1.49 0.00 0.00 0.00 175.76 177.05 2dbf h GLU 14 N -0.98 1.06 -0.14 0.00 4.81 -1.94 -2.57 114.58 114.82 2dbf h GLU 14 Ca -0.45 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 58.47 2dbf h GLU 14 Cb 1.27 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 2dbf h GLU 14 CO 0.47 0.98 -0.03 -0.44 -0.73 0.00 0.00 179.01 179.27 2dbf h ASP 15 N 0.98 0.19 -0.05 1.04 5.19 -1.99 -0.42 116.42 121.35 2dbf h ASP 15 Ca 0.20 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 2dbf h ASP 15 Cb 0.43 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.89 2dbf h ASP 15 CO 0.01 0.25 -0.01 0.58 -3.12 0.00 0.00 179.24 176.96 2dbf h VAL 16 N 0.20 1.28 -0.02 -1.35 2.07 -1.83 -2.90 116.25 113.71 2dbf h VAL 16 Ca 0.05 -0.86 -0.10 0.00 0.82 0.00 0.00 66.70 66.61 2dbf h VAL 16 Cb 0.19 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2dbf h VAL 16 CO 0.01 0.24 -0.45 0.11 0.02 0.00 0.00 177.57 177.49 2dbf h LYS 17 N -0.23 0.04 -0.67 1.57 1.57 -1.28 -3.03 116.57 114.54 2dbf h LYS 17 Ca 0.01 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2dbf h LYS 17 Cb 0.38 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 2dbf h LYS 17 CO 0.00 0.48 0.44 -0.07 -0.57 0.00 0.00 179.45 179.73 2dbf h LEU 18 N 0.03 0.74 -1.17 2.94 3.38 -0.99 -1.99 115.31 118.25 2dbf h LEU 18 Ca -0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2dbf h LEU 18 Cb 0.81 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2dbf h LEU 18 CO 0.06 0.53 -0.24 1.56 0.09 0.00 0.00 178.44 180.43 2dbf h GLN 19 N 0.88 0.27 -0.90 1.13 4.20 -1.39 -2.80 115.11 116.49 2dbf h GLN 19 Ca 0.26 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2dbf h GLN 19 Cb -0.05 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.66 2dbf h GLN 19 CO -0.08 0.51 0.58 -0.07 -0.67 0.00 0.00 178.83 179.10 2dbf h LEU 20 N 0.25 1.05 -1.83 1.46 3.38 -1.31 -1.53 115.31 116.78 2dbf h LEU 20 Ca 0.04 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2dbf h LEU 20 Cb 0.57 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 2dbf h LEU 20 CO 0.04 0.77 -0.05 1.88 0.09 0.00 0.00 178.44 181.17 2dbf h TYR 21 N 1.23 0.04 -0.00 1.13 0.05 -1.27 -1.01 116.97 117.14 2dbf h TYR 21 Ca 0.33 -0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.94 2dbf h TYR 21 Cb -0.12 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 2dbf h TYR 21 CO 0.00 0.10 -0.79 0.87 -1.05 0.00 0.00 178.16 177.29 2dbf h LYS 22 N 0.04 0.08 0.12 4.88 6.56 -1.33 -2.65 116.57 124.28 2dbf h LYS 22 Ca 0.01 -0.08 -0.01 0.00 -1.06 0.00 0.00 60.65 59.51 2dbf h LYS 22 Cb 0.12 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 2dbf h LYS 22 CO 0.01 0.82 -0.06 -0.07 -2.06 0.00 0.00 179.45 178.09 2dbf h LEU 23 N 0.05 -0.14 -2.35 2.94 3.38 -0.98 -3.28 115.31 114.93 2dbf h LEU 23 Ca -0.02 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.69 2dbf h LEU 23 Cb 1.38 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 2dbf h LEU 23 CO 0.11 0.45 0.11 -0.07 0.09 0.00 0.00 178.44 179.13 2dbf h LEU 24 N -0.98 0.00 -2.21 1.67 3.38 -1.34 -1.07 115.31 114.76 2dbf h LEU 24 Ca -0.02 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2dbf h LEU 24 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2dbf h LEU 24 CO 0.03 0.00 0.20 -0.08 0.09 0.00 0.00 178.44 178.68 2dbf h GLU 25 N 0.00 0.00 -6.24 1.13 4.81 -1.53 -2.04 114.58 110.71 2dbf h GLU 25 Ca 0.05 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.72 2dbf h GLU 25 Cb 0.27 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.67 2dbf h GLU 25 CO -0.00 0.00 1.31 -0.89 -0.73 0.00 0.00 179.01 178.70 2dbf n ILE 26 N -3.85 0.64 -1.08 2.32 5.41 -0.41 -4.85 119.36 117.54 2dbf n ILE 26 Ca 0.02 -0.24 -0.33 0.00 1.00 0.00 0.00 62.75 63.20 2dbf n ILE 26 Cb 0.33 -2.38 -0.03 0.00 -0.71 0.00 0.00 39.64 36.85 2dbf n ILE 26 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2dbf n PRO 27 N 7.89 2.30 -4.28 0.38 -0.04 -1.26 -3.58 135.00 136.40 2dbf n PRO 27 Ca 0.23 -1.84 -0.23 0.00 -0.04 0.00 0.00 63.50 61.63 2dbf n PRO 27 Cb 0.41 -2.75 -0.07 0.00 -0.04 0.00 0.00 33.50 31.06 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 3.61 4.53 0.27 3.54 1.01 -1.26 -5.00 116.67 123.36 2dbf s ASP 28 Ca 0.50 -0.68 0.03 0.00 0.71 0.00 0.00 52.55 53.11 2dbf s ASP 28 Cb 0.13 -0.81 0.36 0.00 1.01 0.00 0.00 42.92 43.61 2dbf s ASP 28 CO -0.00 -0.04 1.67 1.55 0.21 0.00 0.00 175.17 178.55 2dbf h PRO 29 N 1.85 0.40 -0.23 8.23 0.13 -1.99 -3.08 132.00 137.32 2dbf h PRO 29 Ca -0.44 -0.19 -0.18 0.00 -0.87 0.00 0.00 66.00 64.32 2dbf h PRO 29 Cb 1.25 -0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.19 2dbf h PRO 29 CO 0.61 0.72 -0.69 -0.25 -0.23 0.00 0.00 178.00 178.17 2dbf n ASP 30 N -4.05 2.48 -1.33 1.44 9.92 -1.26 -4.67 116.55 119.08 2dbf n ASP 30 Ca -0.01 -3.53 -0.05 0.00 -0.53 0.00 0.00 54.79 50.66 2dbf n ASP 30 Cb 0.48 -0.45 -0.03 0.00 -0.64 0.00 0.00 41.12 40.48 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 -0.79 0.25 -4.29 -1.24 5.02 -1.22 -4.01 118.16 111.89 2dbf n LYS 31 Ca 0.23 -1.14 -0.23 0.00 -2.02 0.00 0.00 58.31 55.15 2dbf n LYS 31 Cb 0.83 0.42 -0.07 0.00 -0.02 0.00 0.00 35.03 36.18 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 -1.13 4.46 0.22 4.39 3.84 -1.17 -4.06 114.94 121.49 2dbf s ASN 32 Ca 0.04 -0.72 -0.06 0.00 0.21 0.00 0.00 52.86 52.33 2dbf s ASN 32 Cb 0.10 -0.76 0.19 0.00 -0.55 0.00 0.00 41.25 40.24 2dbf s ASN 32 CO -0.03 -0.06 1.73 4.11 -2.79 0.00 0.00 177.10 180.07 2dbf h TRP 33 N 1.86 1.09 -1.00 0.43 5.08 -1.62 -2.78 115.95 119.01 2dbf h TRP 33 Ca -0.44 -0.13 0.03 0.00 1.08 0.00 0.00 58.89 59.43 2dbf h TRP 33 Cb 1.25 -0.31 -0.06 0.00 -3.00 0.00 0.00 29.16 27.05 2dbf h TRP 33 CO 0.69 0.91 0.66 0.00 -1.28 0.00 0.00 178.44 179.41 2dbf h ALA 34 N 1.15 1.34 -0.72 0.11 0.00 -1.96 -2.11 119.26 117.07 2dbf h ALA 34 Ca 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2dbf h ALA 34 Cb 0.39 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2dbf h ALA 34 CO 0.01 0.57 0.39 1.15 0.00 0.00 0.00 179.25 181.37 2dbf h THR 35 N 1.28 1.22 -0.53 0.00 2.02 -1.83 -2.40 112.91 112.66 2dbf h THR 35 Ca 0.39 -0.56 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 2dbf h THR 35 Cb -0.03 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.64 2dbf h THR 35 CO -0.12 0.25 0.19 0.25 0.37 0.00 0.00 175.52 176.46 2dbf h LEU 36 N 0.99 0.71 -0.95 2.58 5.85 -1.28 -2.49 115.31 120.73 2dbf h LEU 36 Ca 0.25 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.89 2dbf h LEU 36 Cb 0.04 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.84 2dbf h LEU 36 CO -0.04 0.66 0.63 0.00 -0.34 0.00 0.00 178.44 179.35 2dbf h ALA 37 N 1.45 1.21 -0.08 1.25 0.00 -0.91 0.30 119.26 122.48 2dbf h ALA 37 Ca 0.18 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2dbf h ALA 37 Cb 0.19 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2dbf h ALA 37 CO -0.01 0.58 -0.45 1.96 0.00 0.00 0.00 179.25 181.33 2dbf h GLN 38 N 1.27 0.18 0.05 0.00 4.20 -1.27 0.29 115.11 119.83 2dbf h GLN 38 Ca 0.35 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 2dbf h GLN 38 Cb -0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.66 2dbf h GLN 38 CO -0.08 0.59 -0.02 0.87 -0.67 0.00 0.00 178.83 179.52 2dbf h LYS 39 N 0.15 -0.06 0.21 1.46 6.56 -0.98 -3.38 116.57 120.52 2dbf h LYS 39 Ca 0.01 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.59 2dbf h LYS 39 Cb 0.85 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.53 2dbf h LYS 39 CO 0.07 0.52 -0.10 -0.07 -2.06 0.00 0.00 179.45 177.81 2dbf h LEU 40 N -0.72 -0.24 0.00 2.94 3.38 -0.98 -3.48 115.31 116.21 2dbf h LEU 40 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2dbf h LEU 40 Cb 0.61 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2dbf h LEU 40 CO 0.01 -0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.00 2dbf n GLY 41 N -0.69 0.00 1.53 0.83 0.00 -0.60 -5.05 105.19 101.21 2dbf n GLY 41 Ca -0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 1.26 0.22 0.99 4.77 0.93 -4.86 117.00 120.32 2dbf n LEU 42 Ca 0.00 -2.31 0.07 0.00 -0.03 0.00 0.00 56.01 53.74 2dbf n LEU 42 Cb 0.00 -0.02 0.53 0.00 -2.33 0.00 0.00 43.42 41.60 2dbf n LEU 42 CO 0.00 0.65 0.86 1.23 -1.33 0.00 0.00 177.39 178.80 2dbf h GLY 43 N 1.15 0.00 2.00 -0.72 0.00 -1.84 -2.27 103.07 101.39 2dbf h GLY 43 Ca -0.19 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 2dbf h GLY 43 CO 0.10 0.00 -0.24 1.19 0.00 0.00 0.00 176.54 177.59 2dbf h ILE 44 N 0.00 0.72 -0.54 2.60 2.10 -1.91 -2.70 117.51 117.78 2dbf h ILE 44 Ca -0.00 -1.04 -0.19 0.00 1.08 0.00 0.00 64.86 64.70 2dbf h ILE 44 Cb 0.46 1.65 -0.11 0.00 -1.09 0.00 0.00 36.82 37.73 2dbf h ILE 44 CO 0.03 0.24 0.15 0.18 -1.08 0.00 0.00 178.15 177.67 2dbf n LEU 45 N -3.59 5.06 -0.09 2.19 4.77 -0.86 -4.60 117.00 119.87 2dbf n LEU 45 Ca -0.01 -3.39 -0.11 0.00 -0.03 0.00 0.00 56.01 52.47 2dbf n LEU 45 Cb 0.38 -0.68 -0.04 0.00 -2.33 0.00 0.00 43.42 40.76 2dbf n LEU 45 CO 0.34 0.94 0.74 -1.13 -1.33 0.00 0.00 177.39 176.95 2dbf h ASN 46 N 1.75 0.51 0.09 -1.43 -0.73 -1.37 -2.85 115.58 111.55 2dbf h ASN 46 Ca 0.24 -0.34 -0.03 0.00 1.87 0.00 0.00 56.30 58.03 2dbf h ASN 46 Cb 1.99 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 40.44 2dbf h ASN 46 CO 0.56 0.73 -0.12 0.78 -0.37 0.00 0.00 177.43 179.00 2dbf h ASN 47 N 0.28 0.07 0.02 1.15 -0.26 -1.82 -2.13 115.58 112.89 2dbf h ASN 47 Ca 0.07 -0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.80 2dbf h ASN 47 Cb 0.49 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.73 2dbf h ASN 47 CO 0.02 0.20 -0.01 0.00 -1.06 0.00 0.00 177.43 176.58 2dbf h ALA 48 N 1.81 -0.03 -0.44 -0.83 0.00 -1.83 -2.80 119.26 115.14 2dbf h ALA 48 Ca 0.02 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2dbf h ALA 48 Cb 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2dbf h ALA 48 CO 0.02 -0.42 0.01 0.74 0.00 0.00 0.00 179.25 179.60 2dbf h PHE 49 N -0.23 0.74 -0.26 0.00 0.04 -1.31 -2.40 116.94 113.52 2dbf h PHE 49 Ca -0.00 -0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.72 2dbf h PHE 49 Cb 0.21 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2dbf h PHE 49 CO -0.01 0.69 0.18 -0.09 -0.60 0.00 0.00 178.31 178.48 2dbf h ARG 50 N 0.66 0.16 -0.14 1.51 2.43 -1.24 -1.36 114.38 116.39 2dbf h ARG 50 Ca 0.14 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.11 2dbf h ARG 50 Cb 0.39 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2dbf h ARG 50 CO 0.01 0.10 -0.67 -0.07 -1.51 0.00 0.00 179.97 177.83 2dbf h LEU 51 N 0.16 0.65-10.27 3.80 3.38 -1.17 -3.45 115.31 108.40 2dbf h LEU 51 Ca 0.11 -0.39 -0.49 0.00 0.09 0.00 0.00 57.88 57.20 2dbf h LEU 51 Cb 0.25 -0.19 0.17 0.00 0.09 0.00 0.00 40.66 40.99 2dbf h LEU 51 CO -0.02 1.14 0.21 -0.44 0.09 0.00 0.00 178.44 179.42 2dbf s SER 52 N -6.98 2.99 0.14 -0.43 0.01 -0.51 -4.95 113.70 103.96 2dbf s SER 52 Ca -0.07 1.83 -0.13 0.00 1.31 0.00 0.00 55.95 58.89 2dbf s SER 52 Cb 0.10 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2dbf s SER 52 CO 0.86 -3.00 1.58 1.55 0.41 0.00 0.00 173.24 174.64 2dbf h PRO 53 N -1.79 0.84 -3.00 12.44 0.13 -1.88 -3.38 132.00 135.36 2dbf h PRO 53 Ca -0.48 -0.28 -0.62 0.00 -0.87 0.00 0.00 66.00 63.75 2dbf h PRO 53 Cb 1.28 -0.07 -0.40 0.00 0.13 0.00 0.00 31.00 31.93 2dbf h PRO 53 CO 0.48 0.90 -0.71 0.00 -0.23 0.00 0.00 178.00 178.45 2dbf s ALA 54 N -4.95 2.70 0.22 -0.56 0.00 -1.26 -4.98 121.76 112.93 2dbf s ALA 54 Ca -0.12 -3.03 -0.08 0.00 0.00 0.00 0.00 51.96 48.73 2dbf s ALA 54 Cb 0.11 -1.97 0.36 0.00 0.00 0.00 0.00 23.12 21.62 2dbf s ALA 54 CO 0.82 -2.05 1.70 -1.35 0.00 0.00 0.00 175.76 174.88 2dbf h PRO 55 N 6.19 0.28 -0.15 0.00 0.11 -1.75 0.12 132.00 136.80 2dbf h PRO 55 Ca 0.06 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.16 2dbf h PRO 55 Cb 0.87 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2dbf h PRO 55 CO 0.57 0.19 0.10 0.77 -0.21 0.00 0.00 178.00 179.41 2dbf h SER 56 N 0.29 0.15 0.87 -2.05 0.02 -1.92 0.66 113.55 111.56 2dbf h SER 56 Ca 0.35 -0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 61.07 2dbf h SER 56 Cb 0.55 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 2dbf h SER 56 CO -0.43 0.10 -1.09 0.50 -1.14 0.00 0.00 176.83 174.77 2dbf h LYS 57 N 0.17 0.09 0.05 3.45 3.64 -1.23 -3.23 116.57 119.50 2dbf h LYS 57 Ca 0.06 -0.15 -0.25 0.00 -1.27 0.00 0.00 60.65 59.03 2dbf h LYS 57 Cb 0.02 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2dbf h LYS 57 CO -0.01 1.07 -1.25 1.15 -2.27 0.00 0.00 179.45 178.13 2dbf h THR 58 N 0.02 1.44 -0.26 1.00 2.02 0.03 -3.29 112.91 113.87 2dbf h THR 58 Ca -0.05 -3.13 0.00 0.00 0.77 0.00 0.00 66.41 64.00 2dbf h THR 58 Cb 1.84 2.79 -0.01 0.00 -1.74 0.00 0.00 68.15 71.02 2dbf h THR 58 CO 0.15 0.86 0.17 0.25 0.37 0.00 0.00 175.52 177.32 2dbf h LEU 59 N 0.03 0.30 -1.82 2.58 5.85 0.20 -1.90 115.31 120.55 2dbf h LEU 59 Ca -0.12 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2dbf h LEU 59 Cb 1.89 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.84 2dbf h LEU 59 CO 0.14 0.22 -0.03 0.24 -0.34 0.00 0.00 178.44 178.67 2dbf h MET 60 N 0.35 0.07 -0.29 1.25 2.86 -1.67 0.36 114.93 117.86 2dbf h MET 60 Ca 0.09 -0.01 -0.15 0.00 -2.06 0.00 0.00 59.70 57.57 2dbf h MET 60 Cb -0.04 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2dbf h MET 60 CO -0.02 0.11 -0.45 0.22 1.06 0.00 0.00 176.91 177.83 2dbf h ASP 61 N 0.07 0.79 0.03 1.22 1.82 -1.43 -2.40 116.42 116.51 2dbf h ASP 61 Ca 0.02 -0.38 -0.20 0.00 -0.39 0.00 0.00 57.03 56.08 2dbf h ASP 61 Cb 0.11 -0.22 0.02 0.00 0.68 0.00 0.00 39.33 39.91 2dbf h ASP 61 CO 0.01 1.12 -0.80 0.78 -1.61 0.00 0.00 179.24 178.74 2dbf h ASN 62 N 0.59 0.65 -0.09 2.28 2.35 -0.64 -3.14 115.58 117.59 2dbf h ASN 62 Ca 0.04 -0.78 -0.00 0.00 -0.55 0.00 0.00 56.30 55.00 2dbf h ASN 62 Cb 1.00 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.16 2dbf h ASN 62 CO 0.10 1.36 0.05 0.22 -1.65 0.00 0.00 177.43 177.50 2dbf h TYR 63 N 0.03 0.13 -0.31 1.19 3.20 -0.98 -1.86 116.97 118.37 2dbf h TYR 63 Ca -0.11 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.61 2dbf h TYR 63 Cb 1.51 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.73 2dbf h TYR 63 CO 0.14 0.10 -0.43 1.49 -1.64 0.00 0.00 178.16 177.82 2dbf h GLU 64 N 0.14 0.77 -0.19 1.82 4.81 -1.45 -2.50 114.58 117.98 2dbf h GLU 64 Ca 0.04 -0.42 0.01 0.00 -0.13 0.00 0.00 59.36 58.85 2dbf h GLU 64 Cb 0.02 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2dbf h GLU 64 CO -0.01 1.05 0.13 0.28 -0.73 0.00 0.00 179.01 179.73 2dbf h VAL 65 N 0.63 1.03 -0.94 0.32 2.07 -1.29 -1.19 116.25 116.87 2dbf h VAL 65 Ca 0.04 -0.08 -0.52 0.00 0.82 0.00 0.00 66.70 66.96 2dbf h VAL 65 Cb 0.99 0.78 -0.29 0.00 -1.52 0.00 0.00 31.29 31.26 2dbf h VAL 65 CO 0.09 0.04 0.66 -1.20 0.02 0.00 0.00 177.57 177.19 2dbf n SER 66 N -4.51 4.52 0.00 0.57 7.64 -1.13 -4.96 113.62 115.76 2dbf n SER 66 Ca 0.00 -3.55 0.00 0.00 1.01 0.00 0.00 58.87 56.33 2dbf n SER 66 Cb 0.10 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 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 -0.99 2.00 1.69 0.23 0.00 -0.45 -4.89 105.19 102.78 2dbf n GLY 67 Ca 0.57 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.71 3.73 -0.02 0.00 -0.96 -3.89 105.19 100.34 2dbf n GLY 68 Ca 0.00 0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.20 3.12 0.02 2.61 -4.23 -1.26 -0.57 115.64 115.13 2dbf s THR 69 Ca -0.06 -1.70 -0.05 0.00 -1.18 0.00 0.00 61.69 58.70 2dbf s THR 69 Cb 0.00 -2.98 -0.29 0.00 1.34 0.00 0.00 72.50 70.57 2dbf s THR 69 CO 0.16 -0.21 0.94 0.58 -0.54 0.00 0.00 174.62 175.55 2dbf h VAL 70 N 1.57 1.25 -0.31 2.29 2.07 -1.98 -3.22 116.25 117.92 2dbf h VAL 70 Ca -0.44 -2.84 -0.04 0.00 0.82 0.00 0.00 66.70 64.20 2dbf h VAL 70 Cb 1.25 2.85 -0.02 0.00 -1.52 0.00 0.00 31.29 33.85 2dbf h VAL 70 CO 0.63 0.84 0.04 0.03 0.02 0.00 0.00 177.57 179.13 2dbf h ARG 71 N 0.08 0.46 -0.31 1.57 2.47 -1.96 -1.28 114.38 115.41 2dbf h ARG 71 Ca -0.22 -0.08 -0.17 0.00 -1.26 0.00 0.00 59.98 58.25 2dbf h ARG 71 Cb 2.03 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 30.27 2dbf h ARG 71 CO 0.19 0.46 -0.48 0.93 0.56 0.00 0.00 179.97 181.63 2dbf h GLU 72 N 0.46 0.85 -0.39 0.04 4.39 -1.99 -1.92 114.58 116.03 2dbf h GLU 72 Ca 0.10 -0.50 -0.13 0.00 0.34 0.00 0.00 59.36 59.17 2dbf h GLU 72 Cb 0.24 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 2dbf h GLU 72 CO 0.00 1.14 -0.29 1.25 -1.16 0.00 0.00 179.01 179.95 2dbf h LEU 73 N 0.67 0.86 -0.32 1.33 5.85 -1.46 -0.59 115.31 121.65 2dbf h LEU 73 Ca 0.03 -0.34 -0.08 0.00 0.84 0.00 0.00 57.88 58.33 2dbf h LEU 73 Cb 1.07 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2dbf h LEU 73 CO 0.11 1.09 -0.11 0.58 -0.34 0.00 0.00 178.44 179.76 2dbf h VAL 74 N 0.70 1.29 -0.42 1.05 2.07 -1.21 -2.17 116.25 117.55 2dbf h VAL 74 Ca 0.08 -1.19 -0.11 0.00 0.82 0.00 0.00 66.70 66.30 2dbf h VAL 74 Cb 0.83 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 2dbf h VAL 74 CO 0.07 0.39 -0.17 -0.33 0.02 0.00 0.00 177.57 177.54 2dbf h GLU 75 N 0.41 0.87 -0.83 1.57 5.08 -1.30 -2.25 114.58 118.13 2dbf h GLU 75 Ca 0.08 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2dbf h GLU 75 Cb 0.63 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 2dbf h GLU 75 CO 0.04 1.01 0.51 0.00 -1.00 0.00 0.00 179.01 179.56 2dbf h ALA 76 N 0.83 1.33 -0.14 3.43 0.00 -1.07 -0.45 119.26 123.20 2dbf h ALA 76 Ca 0.10 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2dbf h ALA 76 Cb 0.73 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2dbf h ALA 76 CO 0.06 0.58 -0.51 -0.07 0.00 0.00 0.00 179.25 179.30 2dbf h LEU 77 N 1.14 0.41 -0.64 0.00 3.38 -1.27 -2.63 115.31 115.70 2dbf h LEU 77 Ca 0.30 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 2dbf h LEU 77 Cb -0.06 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2dbf h LEU 77 CO -0.06 0.85 -0.65 -0.09 0.09 0.00 0.00 178.44 178.58 2dbf h ARG 78 N 0.29 0.13 -0.33 1.13 2.43 -0.77 -0.58 114.38 116.67 2dbf h ARG 78 Ca 0.01 -0.10 -0.17 0.00 -0.81 0.00 0.00 59.98 58.91 2dbf h ARG 78 Cb 1.01 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2dbf h ARG 78 CO 0.09 0.73 -0.47 1.96 -1.51 0.00 0.00 179.97 180.77 2dbf h GLN 79 N 0.09 0.91 0.00 0.20 4.20 -0.97 -3.37 115.11 116.17 2dbf h GLN 79 Ca -0.01 -0.53 0.00 0.00 0.06 0.00 0.00 58.65 58.17 2dbf h GLN 79 Cb 1.17 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.99 2dbf h GLN 79 CO 0.09 1.18 0.00 -1.33 -0.67 0.00 0.00 178.83 178.10 2dbf n MET 80 N -4.04 0.00 0.00 1.46 2.81 -1.01 -5.00 117.12 111.34 2dbf n MET 80 Ca -0.03 0.37 0.00 0.00 -1.81 0.00 0.00 57.70 56.22 2dbf n MET 80 Cb 0.59 -1.02 0.00 0.00 -0.71 0.00 0.00 33.22 32.08 2dbf n MET 80 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2dbf n GLY 81 N 1.24 0.00 3.67 3.03 0.00 -0.80 -4.95 105.19 107.38 2dbf n GLY 81 Ca 0.00 0.00 -0.35 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 3.17 -0.03 1.61 2.02 -0.29 -4.97 117.35 118.86 2dbf s TYR 82 Ca 0.00 0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.86 2dbf s TYR 82 Cb 0.00 -1.83 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 2dbf s TYR 82 CO 0.00 0.42 -0.03 2.41 -1.57 0.00 0.00 175.55 176.78 2dbf n THR 83 N 2.33 0.18 0.01 -0.71 -1.04 -1.26 -4.54 114.28 109.25 2dbf n THR 83 Ca -0.18 -0.07 -0.18 0.00 -2.04 0.00 0.00 64.05 61.57 2dbf n THR 83 Cb 0.53 -0.64 -0.10 0.00 -1.82 0.00 0.00 70.33 68.31 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 -1.99 -2.72 114.58 111.93 2dbf h GLU 84 Ca -0.07 -0.60 0.06 0.00 -1.00 0.00 0.00 59.36 57.75 2dbf h GLU 84 Cb 1.11 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 2dbf h GLU 84 CO -0.01 1.21 0.54 0.00 -1.00 0.00 0.00 179.01 179.75 2dbf h ALA 85 N 0.42 1.59 0.00 3.43 0.00 -1.97 -0.74 119.26 121.99 2dbf h ALA 85 Ca -0.09 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 2dbf h ALA 85 Cb 1.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2dbf h ALA 85 CO 0.16 0.29 -0.79 0.82 0.00 0.00 0.00 179.25 179.74 2dbf h ILE 86 N 0.92 1.54 -0.29 0.00 2.04 -1.80 -3.24 117.51 116.68 2dbf h ILE 86 Ca 0.35 -2.71 -0.17 0.00 1.00 0.00 0.00 64.86 63.32 2dbf h ILE 86 Cb 0.20 2.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.75 2dbf h ILE 86 CO -0.12 0.77 -0.51 -0.33 0.00 0.00 0.00 178.15 177.96 2dbf h GLU 87 N 0.00 0.82 -0.36 2.37 5.08 -0.91 -2.54 114.58 119.03 2dbf h GLU 87 Ca -0.01 -0.49 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2dbf h GLU 87 Cb 1.41 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 2dbf h GLU 87 CO 0.10 1.13 0.22 0.28 -1.00 0.00 0.00 179.01 179.74 2dbf h VAL 88 N 0.64 1.10 0.10 3.13 2.07 -1.21 0.15 116.25 122.24 2dbf h VAL 88 Ca 0.02 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 2dbf h VAL 88 Cb 1.10 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2dbf h VAL 88 CO 0.11 0.11 -0.05 0.40 0.02 0.00 0.00 177.57 178.16 2dbf h ILE 89 N 0.49 0.97 -0.15 4.57 2.04 -1.57 -3.18 117.51 120.69 2dbf h ILE 89 Ca 0.13 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.63 2dbf h ILE 89 Cb -0.02 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 2dbf h ILE 89 CO -0.03 0.28 0.07 1.56 0.00 0.00 0.00 178.15 180.03 2dbf h GLN 90 N -0.88 0.20 -0.12 2.37 4.20 -1.32 -1.30 115.11 118.27 2dbf h GLN 90 Ca -0.01 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 2dbf h GLN 90 Cb 0.56 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 2dbf h GLN 90 CO 0.02 0.16 -0.07 0.00 -0.67 0.00 0.00 178.83 178.27 2dbf h ALA 91 N 1.88 1.66 0.07 3.87 0.00 -0.76 -3.02 119.26 122.96 2dbf h ALA 91 Ca 0.05 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2dbf h ALA 91 Cb 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.76 2dbf h ALA 91 CO -0.01 0.25 -0.40 0.00 0.00 0.00 0.00 179.25 179.09 2dbf h ALA 92 N 1.76 -0.04 -2.55 0.00 0.00 -1.23 -3.37 119.26 113.82 2dbf h ALA 92 Ca 0.04 -0.59 -0.54 0.00 0.00 0.00 0.00 54.91 53.81 2dbf h ALA 92 Cb 0.25 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2dbf h ALA 92 CO 0.01 0.18 0.25 0.45 0.00 0.00 0.00 179.25 180.15 2dbf s SER 93 N -6.59 7.26 -1.56 0.00 0.15 -0.94 -3.63 113.70 108.39 2dbf s SER 93 Ca -0.16 1.51 -0.04 0.00 0.70 0.00 0.00 55.95 57.96 2dbf s SER 93 Cb -0.01 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2dbf s SER 93 CO 0.76 -0.14 0.51 -0.24 1.20 0.00 0.00 173.24 175.33 2dbf n SER 94 N 3.51 -6.02 -3.15 5.45 2.88 -1.26 -4.77 113.62 110.25 2dbf n SER 94 Ca 0.02 -0.24 0.05 0.00 -1.33 0.00 0.00 58.87 57.36 2dbf n SER 94 Cb 0.51 -4.87 -0.01 0.00 -0.75 0.00 0.00 64.21 59.09 2dbf n SER 94 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dbf s SER 95 N -2.63 -0.94 0.00 -3.46 0.01 -1.24 -5.02 113.70 100.42 2dbf s SER 95 Ca 0.26 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.86 2dbf s SER 95 Cb -0.11 1.69 0.00 0.00 0.21 0.00 0.00 66.02 67.81 2dbf s SER 95 CO 0.32 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.40 2dbf n GLY 96 N 5.36 -2.03 3.77 3.44 0.00 -1.26 -4.30 105.19 110.17 2dbf n GLY 96 Ca 0.01 0.97 -0.31 0.00 0.00 0.00 0.00 46.02 46.69 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 2.26 0.18 1.61 0.04 -1.26 -5.06 135.00 132.77 2dbf s PRO 97 Ca 0.00 1.18 -0.22 0.00 0.04 0.00 0.00 61.00 62.00 2dbf s PRO 97 Cb 0.00 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.72 2dbf s PRO 97 CO 0.00 -1.64 1.02 -1.54 0.04 0.00 0.00 177.00 174.88 2dbf s SER 98 N -3.36 -0.02 -0.14 6.66 1.04 -1.26 -5.16 113.70 111.47 2dbf s SER 98 Ca 0.61 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 56.41 2dbf s SER 98 Cb -0.17 0.50 -0.00 0.00 0.10 0.00 0.00 66.02 66.45 2dbf s SER 98 CO 0.56 -0.99 -0.17 -0.44 0.98 0.00 0.00 173.24 173.17 2dbf s SER 99 N -3.33 3.58 0.00 7.02 0.01 -1.26 -5.35 113.70 114.37 2dbf s SER 99 Ca 0.20 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2dbf s SER 99 Cb -0.02 -1.53 0.00 0.00 0.21 0.00 0.00 66.02 64.67 2dbf s SER 99 CO 0.05 0.12 0.10 0.61 0.41 0.00 0.00 173.24 174.53