#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 -0.69 -0.00 1.61 2.88 -1.26 -5.05 113.62 111.11 2dbf n SER 2 Ca 0.00 1.34 -0.00 0.00 -1.33 0.00 0.00 58.87 58.88 2dbf n SER 2 Cb 0.00 -5.25 -0.00 0.00 -0.75 0.00 0.00 64.21 58.21 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 1.64 0.04 -3.71 -3.46 7.64 -1.26 -5.12 113.62 109.39 2dbf n SER 3 Ca -0.41 0.01 -0.12 0.00 1.01 0.00 0.00 58.87 59.36 2dbf n SER 3 Cb 0.63 -0.23 -0.07 0.00 -1.01 0.00 0.00 64.21 63.53 2dbf n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dbf s GLY 4 N -3.04 -0.20 -0.09 0.23 0.00 -1.26 -5.06 107.32 97.90 2dbf s GLY 4 Ca -0.00 0.14 0.05 0.00 0.00 0.00 0.00 44.72 44.91 2dbf s GLY 4 CO 0.00 -0.10 -0.02 1.44 0.00 0.00 0.00 173.10 174.43 2dbf n SER 5 N 0.51 3.00 -0.22 1.64 7.64 -1.26 -4.60 113.62 120.34 2dbf n SER 5 Ca -0.18 -0.02 0.01 0.00 1.01 0.00 0.00 58.87 59.68 2dbf n SER 5 Cb 0.60 0.36 0.25 0.00 -1.01 0.00 0.00 64.21 64.40 2dbf n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dbf h SER 6 N 0.00 0.86 -5.18 6.43 0.87 -1.96 -3.45 113.55 111.13 2dbf h SER 6 Ca -0.24 -0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.22 2dbf h SER 6 Cb 1.47 -0.21 -0.13 0.00 -0.44 0.00 0.00 62.40 63.08 2dbf h SER 6 CO -0.01 0.62 -0.33 -0.83 -0.53 0.00 0.00 176.83 175.75 2dbf s GLY 7 N -3.37 0.16 -0.35 5.77 0.00 -1.26 -4.57 107.32 103.70 2dbf s GLY 7 Ca -0.11 -0.63 0.06 0.00 0.00 0.00 0.00 44.72 44.04 2dbf s GLY 7 CO 0.78 -0.76 1.16 1.22 0.00 0.00 0.00 173.10 175.50 2dbf n ASP 8 N -0.12 4.83 0.08 1.64 8.00 -0.63 -4.60 116.55 125.77 2dbf n ASP 8 Ca -0.13 -3.73 0.06 0.00 0.71 0.00 0.00 54.79 51.70 2dbf n ASP 8 Cb 0.63 -0.39 -0.02 0.00 -0.02 0.00 0.00 41.12 41.32 2dbf n ASP 8 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 2dbf h MET 9 N 2.34 0.00 -1.00 -1.24 2.86 -1.95 -3.36 114.93 112.58 2dbf h MET 9 Ca 0.34 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 58.09 2dbf h MET 9 Cb 1.30 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.88 2dbf h MET 9 CO 0.79 0.15 0.64 -0.22 1.06 0.00 0.00 176.91 179.33 2dbf h LYS 10 N 0.00 1.01 -0.36 1.72 3.64 -1.92 -0.62 116.57 120.04 2dbf h LYS 10 Ca -0.07 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 2dbf h LYS 10 Cb 1.26 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 2dbf h LYS 10 CO 0.02 0.67 -0.02 -0.56 -2.27 0.00 0.00 179.45 177.29 2dbf h GLN 11 N 1.04 0.58 -6.92 1.90 3.07 -1.96 -3.43 115.11 109.39 2dbf h GLN 11 Ca 0.48 -0.14 -0.53 0.00 0.09 0.00 0.00 58.65 58.55 2dbf h GLN 11 Cb 0.40 -0.08 0.09 0.00 0.08 0.00 0.00 27.48 27.97 2dbf h GLN 11 CO -0.24 0.62 0.69 -0.51 0.09 0.00 0.00 178.83 179.48 2dbf s LEU 12 N -9.04 4.34 0.40 0.06 1.43 -0.24 -5.00 118.68 110.62 2dbf s LEU 12 Ca -0.08 2.82 -0.11 0.00 -1.03 0.00 0.00 54.13 55.73 2dbf s LEU 12 Cb 0.15 -3.71 -0.07 0.00 0.03 0.00 0.00 46.19 42.59 2dbf s LEU 12 CO 0.78 -0.74 0.78 0.00 0.23 0.00 0.00 176.35 177.39 2dbf s ALA 13 N -1.16 3.33 0.21 4.21 0.00 -1.26 -4.99 121.76 122.10 2dbf s ALA 13 Ca 0.52 -0.16 -0.08 0.00 0.00 0.00 0.00 51.96 52.24 2dbf s ALA 13 Cb -0.42 -2.73 0.16 0.00 0.00 0.00 0.00 23.12 20.12 2dbf s ALA 13 CO 0.56 0.00 1.79 1.49 0.00 0.00 0.00 175.76 179.61 2dbf h GLU 14 N 1.32 1.15 -0.46 0.00 4.81 -1.96 -2.37 114.58 117.07 2dbf h GLU 14 Ca -0.47 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 58.57 2dbf h GLU 14 Cb 1.19 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 2dbf h GLU 14 CO 0.64 0.91 0.28 -0.44 -0.73 0.00 0.00 179.01 179.67 2dbf h ASP 15 N 1.13 0.54 0.28 1.04 5.19 -1.97 0.53 116.42 123.16 2dbf h ASP 15 Ca 0.27 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.64 2dbf h ASP 15 Cb 0.16 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.54 2dbf h ASP 15 CO -0.03 0.42 -0.14 0.58 -3.12 0.00 0.00 179.24 176.95 2dbf h VAL 16 N 0.63 0.76 0.00 -1.35 2.07 -1.80 -3.06 116.25 113.50 2dbf h VAL 16 Ca 0.17 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 2dbf h VAL 16 Cb -0.03 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 2dbf h VAL 16 CO -0.03 0.09 -0.41 0.11 0.02 0.00 0.00 177.57 177.35 2dbf h LYS 17 N -0.60 0.00 -0.29 1.57 1.57 -1.28 -3.06 116.57 114.48 2dbf h LYS 17 Ca -0.04 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 2dbf h LYS 17 Cb 0.43 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2dbf h LYS 17 CO 0.06 0.41 0.21 -0.07 -0.57 0.00 0.00 179.45 179.49 2dbf h LEU 18 N 0.00 0.01 -0.30 2.94 3.38 0.15 -0.30 115.31 121.20 2dbf h LEU 18 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2dbf h LEU 18 Cb 0.96 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2dbf h LEU 18 CO 0.05 0.01 -0.86 1.56 0.09 0.00 0.00 178.44 179.29 2dbf h GLN 19 N 0.02 0.09 -0.11 1.13 4.20 -1.48 -3.18 115.11 115.78 2dbf h GLN 19 Ca 0.14 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2dbf h GLN 19 Cb 0.53 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2dbf h GLN 19 CO -0.00 0.89 0.06 -0.07 -0.67 0.00 0.00 178.83 179.04 2dbf h LEU 20 N 0.05 0.13 -0.78 1.46 3.38 -1.15 -1.76 115.31 116.62 2dbf h LEU 20 Ca -0.03 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2dbf h LEU 20 Cb 1.50 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.19 2dbf h LEU 20 CO 0.12 0.10 0.14 1.88 0.09 0.00 0.00 178.44 180.77 2dbf h TYR 21 N 0.15 1.11 -0.03 1.13 0.05 -1.52 -0.28 116.97 117.57 2dbf h TYR 21 Ca 0.04 -0.13 -0.15 0.00 0.05 0.00 0.00 58.73 58.53 2dbf h TYR 21 Cb -0.00 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.41 2dbf h TYR 21 CO 0.00 0.92 -0.68 0.87 -1.05 0.00 0.00 178.16 178.22 2dbf h LYS 22 N 1.00 0.15 0.12 4.88 1.57 -1.47 -2.17 116.57 120.64 2dbf h LYS 22 Ca 0.21 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2dbf h LYS 22 Cb 0.38 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2dbf h LYS 22 CO 0.01 0.77 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.53 2dbf h LEU 23 N 0.10 -0.13 -1.93 2.94 3.38 -1.10 -3.22 115.31 115.36 2dbf h LEU 23 Ca -0.01 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 2dbf h LEU 23 Cb 1.21 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 2dbf h LEU 23 CO 0.10 0.43 -0.10 -0.07 0.09 0.00 0.00 178.44 178.89 2dbf h LEU 24 N -0.77 0.00 -2.31 1.67 3.38 -1.13 -1.89 115.31 114.26 2dbf h LEU 24 Ca -0.02 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.99 2dbf h LEU 24 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2dbf h LEU 24 CO 0.03 0.10 0.16 -0.08 0.09 0.00 0.00 178.44 178.73 2dbf h GLU 25 N 0.00 0.00 -6.45 1.13 4.22 -1.40 -2.03 114.58 110.05 2dbf h GLU 25 Ca -0.00 0.00 -0.53 0.00 0.08 0.00 0.00 59.36 58.91 2dbf h GLU 25 Cb 0.20 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.47 2dbf h GLU 25 CO 0.01 0.00 1.08 0.42 -2.18 0.00 0.00 179.01 178.34 2dbf s ILE 26 N -4.59 2.87 -1.23 2.32 1.01 -0.71 -4.87 121.20 116.00 2dbf s ILE 26 Ca -0.05 0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.79 2dbf s ILE 26 Cb 0.15 -3.17 -0.07 0.00 0.01 0.00 0.00 42.46 39.38 2dbf s ILE 26 CO 0.53 -0.00 2.46 -0.81 0.00 0.00 0.00 174.94 177.11 2dbf n PRO 27 N 5.96 2.76 -4.66 2.79 -0.04 -1.26 -3.77 135.00 136.78 2dbf n PRO 27 Ca 0.17 -1.85 -0.31 0.00 -0.04 0.00 0.00 63.50 61.48 2dbf n PRO 27 Cb 0.40 -2.67 -0.13 0.00 -0.04 0.00 0.00 33.50 31.07 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 2.98 3.79 0.18 3.54 1.01 -1.26 -5.00 116.67 121.91 2dbf s ASP 28 Ca 0.53 -0.43 -0.14 0.00 0.71 0.00 0.00 52.55 53.23 2dbf s ASP 28 Cb 0.14 -0.61 0.17 0.00 1.01 0.00 0.00 42.92 43.63 2dbf s ASP 28 CO -0.04 0.26 1.70 -0.65 0.21 0.00 0.00 175.17 176.64 2dbf h PRO 29 N 4.54 0.15 -0.81 8.23 0.11 -1.98 -1.33 132.00 140.91 2dbf h PRO 29 Ca -0.48 -0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.12 2dbf h PRO 29 Cb 1.15 -0.03 -0.27 0.00 0.11 0.00 0.00 31.00 31.96 2dbf h PRO 29 CO 0.47 0.10 0.33 -0.25 -0.21 0.00 0.00 178.00 178.45 2dbf n ASP 30 N -5.18 5.00 -1.15 -2.05 8.00 -1.26 -4.36 116.55 115.55 2dbf n ASP 30 Ca 0.05 -3.74 -0.06 0.00 0.71 0.00 0.00 54.79 51.75 2dbf n ASP 30 Cb 0.25 -0.76 -0.05 0.00 -0.02 0.00 0.00 41.12 40.54 2dbf n ASP 30 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2dbf n LYS 31 N -1.00 0.14 -4.20 -1.24 5.02 -0.76 -4.39 118.16 111.74 2dbf n LYS 31 Ca 0.52 -0.97 -0.29 0.00 -2.02 0.00 0.00 58.31 55.56 2dbf n LYS 31 Cb 1.06 0.49 -0.09 0.00 -0.02 0.00 0.00 35.03 36.48 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 -0.96 4.65 0.43 4.39 3.04 -0.58 -4.03 114.94 121.88 2dbf s ASN 32 Ca 0.01 -0.36 0.11 0.00 0.04 0.00 0.00 52.86 52.66 2dbf s ASN 32 Cb 0.05 -0.97 0.93 0.00 -1.54 0.00 0.00 41.25 39.72 2dbf s ASN 32 CO -0.01 0.14 2.01 4.11 -3.04 0.00 0.00 177.10 180.31 2dbf h TRP 33 N 3.23 0.24 -0.56 0.43 5.08 -1.63 -2.45 115.95 120.31 2dbf h TRP 33 Ca -0.48 -0.01 -0.05 0.00 1.08 0.00 0.00 58.89 59.43 2dbf h TRP 33 Cb 1.18 -0.08 -0.02 0.00 -3.00 0.00 0.00 29.16 27.24 2dbf h TRP 33 CO 0.61 0.26 0.15 0.00 -1.28 0.00 0.00 178.44 178.19 2dbf h ALA 34 N 1.76 0.73 -0.75 0.11 0.00 -1.95 -2.24 119.26 116.92 2dbf h ALA 34 Ca 0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2dbf h ALA 34 Cb 0.17 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 2dbf h ALA 34 CO 0.00 0.42 0.39 1.15 0.00 0.00 0.00 179.25 181.21 2dbf h THR 35 N 0.78 1.23 -0.17 0.00 2.02 -1.76 -2.20 112.91 112.81 2dbf h THR 35 Ca 0.18 -0.61 -0.10 0.00 0.77 0.00 0.00 66.41 66.65 2dbf h THR 35 Cb 0.32 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2dbf h THR 35 CO -0.00 0.27 -0.32 0.25 0.37 0.00 0.00 175.52 176.09 2dbf h LEU 36 N 1.06 0.35 -1.10 2.58 5.85 -1.31 -2.84 115.31 119.91 2dbf h LEU 36 Ca 0.26 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2dbf h LEU 36 Cb 0.07 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 2dbf h LEU 36 CO -0.04 0.66 0.56 0.00 -0.34 0.00 0.00 178.44 179.28 2dbf h ALA 37 N 1.37 1.33 -0.23 1.25 0.00 -0.79 -0.97 119.26 121.22 2dbf h ALA 37 Ca 0.04 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2dbf h ALA 37 Cb 0.71 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2dbf h ALA 37 CO 0.05 0.60 -0.25 1.96 0.00 0.00 0.00 179.25 181.62 2dbf h GLN 38 N 1.20 0.57 -0.41 0.00 4.20 -1.38 0.62 115.11 119.92 2dbf h GLN 38 Ca 0.32 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2dbf h GLN 38 Cb -0.10 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 2dbf h GLN 38 CO -0.07 0.90 0.27 0.87 -0.67 0.00 0.00 178.83 180.14 2dbf h LYS 39 N 0.27 0.54 0.17 1.46 6.56 -1.25 -3.30 116.57 121.02 2dbf h LYS 39 Ca 0.03 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 2dbf h LYS 39 Cb 0.81 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.35 2dbf h LYS 39 CO 0.06 0.36 -0.08 -0.07 -2.06 0.00 0.00 179.45 177.66 2dbf h LEU 40 N 0.55 -0.19 0.00 2.94 3.38 -1.19 -3.48 115.31 117.31 2dbf h LEU 40 Ca 0.15 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2dbf h LEU 40 Cb -0.06 0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2dbf h LEU 40 CO -0.03 -0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.07 2dbf n GLY 41 N 0.51 0.00 1.38 0.83 0.00 0.00 -5.06 105.19 102.85 2dbf n GLY 41 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 1.51 -0.04 0.99 4.77 0.20 -4.86 117.00 119.56 2dbf n LEU 42 Ca 0.00 -2.56 -0.00 0.00 -0.03 0.00 0.00 56.01 53.42 2dbf n LEU 42 Cb 0.00 -0.10 0.28 0.00 -2.33 0.00 0.00 43.42 41.27 2dbf n LEU 42 CO 0.00 0.77 0.98 1.23 -1.33 0.00 0.00 177.39 179.05 2dbf h GLY 43 N 1.12 0.67 2.00 -0.72 0.00 -1.86 -2.25 103.07 102.02 2dbf h GLY 43 Ca -0.16 -0.37 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 2dbf h GLY 43 CO 0.09 0.35 -0.44 1.19 0.00 0.00 0.00 176.54 177.74 2dbf h ILE 44 N 0.61 1.13 -0.91 2.60 2.10 -1.92 -2.89 117.51 118.22 2dbf h ILE 44 Ca 0.14 -1.59 -0.47 0.00 1.08 0.00 0.00 64.86 64.01 2dbf h ILE 44 Cb 0.26 1.91 -0.28 0.00 -1.09 0.00 0.00 36.82 37.61 2dbf h ILE 44 CO -0.00 0.43 0.60 0.18 -1.08 0.00 0.00 178.15 178.28 2dbf n LEU 45 N -3.75 6.42 0.10 2.19 4.77 -0.86 -4.40 117.00 121.46 2dbf n LEU 45 Ca -0.01 -3.42 -0.05 0.00 -0.03 0.00 0.00 56.01 52.49 2dbf n LEU 45 Cb 0.50 -0.81 0.07 0.00 -2.33 0.00 0.00 43.42 40.85 2dbf n LEU 45 CO 0.38 1.00 0.38 0.78 -1.33 0.00 0.00 177.39 178.61 2dbf h ASN 46 N 0.92 0.18 0.36 -1.43 2.35 -1.37 -3.10 115.58 113.49 2dbf h ASN 46 Ca 0.58 -0.12 -0.12 0.00 -0.55 0.00 0.00 56.30 56.09 2dbf h ASN 46 Cb 2.71 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 41.02 2dbf h ASN 46 CO 1.01 0.84 -0.51 -0.55 -1.65 0.00 0.00 177.43 176.58 2dbf h ASN 47 N 0.10 0.18 0.05 5.81 -1.07 -1.84 -1.70 115.58 117.12 2dbf h ASN 47 Ca -0.02 -0.09 -0.10 0.00 0.07 0.00 0.00 56.30 56.16 2dbf h ASN 47 Cb 1.29 -0.05 -0.01 0.00 -2.07 0.00 0.00 38.32 37.47 2dbf h ASN 47 CO 0.11 0.66 -0.33 0.00 0.07 0.00 0.00 177.43 177.94 2dbf h ALA 48 N 1.34 1.07 0.19 4.14 0.00 -1.86 -2.13 119.26 122.02 2dbf h ALA 48 Ca 0.00 -0.38 -0.31 0.00 0.00 0.00 0.00 54.91 54.23 2dbf h ALA 48 Cb 0.95 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.65 2dbf h ALA 48 CO 0.07 0.58 -1.37 0.74 0.00 0.00 0.00 179.25 179.27 2dbf h PHE 49 N 0.34 0.72 -0.45 0.00 0.04 -1.48 -3.23 116.94 112.88 2dbf h PHE 49 Ca 0.04 -0.53 -0.02 0.00 2.80 0.00 0.00 57.97 60.26 2dbf h PHE 49 Cb 0.75 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.85 2dbf h PHE 49 CO 0.02 1.42 0.20 -0.09 -0.60 0.00 0.00 178.31 179.26 2dbf h ARG 50 N 0.11 0.65 -0.37 1.51 2.43 -1.23 -2.48 114.38 115.00 2dbf h ARG 50 Ca -0.20 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 58.88 2dbf h ARG 50 Cb 2.07 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 31.49 2dbf h ARG 50 CO 0.24 0.58 0.25 -0.07 -1.51 0.00 0.00 179.97 179.45 2dbf h LEU 51 N 0.58 0.39-10.29 3.80 3.38 -1.49 -3.43 115.31 108.24 2dbf h LEU 51 Ca 0.15 -0.01 -0.51 0.00 0.09 0.00 0.00 57.88 57.60 2dbf h LEU 51 Cb 0.15 -0.09 0.12 0.00 0.09 0.00 0.00 40.66 40.93 2dbf h LEU 51 CO -0.02 0.27 0.34 -0.44 0.09 0.00 0.00 178.44 178.69 2dbf s SER 52 N -6.69 4.80 0.46 -0.43 0.01 -0.94 -4.94 113.70 105.97 2dbf s SER 52 Ca -0.08 1.82 0.21 0.00 1.31 0.00 0.00 55.95 59.21 2dbf s SER 52 Cb 0.18 -2.52 1.13 0.00 0.21 0.00 0.00 66.02 65.02 2dbf s SER 52 CO 0.72 -1.84 1.98 1.55 0.41 0.00 0.00 173.24 176.06 2dbf h PRO 53 N -0.80 0.00 -2.58 12.44 0.13 -1.83 -3.37 132.00 135.99 2dbf h PRO 53 Ca -0.44 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.10 2dbf h PRO 53 Cb 1.23 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.97 2dbf h PRO 53 CO 0.53 0.20 -0.86 0.00 -0.23 0.00 0.00 178.00 177.64 2dbf s ALA 54 N -4.25 1.09 0.24 -0.56 0.00 -1.26 -5.01 121.76 112.02 2dbf s ALA 54 Ca -0.03 -2.01 -0.05 0.00 0.00 0.00 0.00 51.96 49.87 2dbf s ALA 54 Cb 0.14 -1.62 0.43 0.00 0.00 0.00 0.00 23.12 22.06 2dbf s ALA 54 CO 0.65 -2.09 1.72 -1.35 0.00 0.00 0.00 175.76 174.69 2dbf h PRO 55 N 6.78 0.36 -0.04 0.00 0.11 -1.71 0.13 132.00 137.63 2dbf h PRO 55 Ca 0.09 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 2dbf h PRO 55 Cb 0.96 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 2dbf h PRO 55 CO 0.30 0.24 -0.08 0.77 -0.21 0.00 0.00 178.00 179.02 2dbf h SER 56 N 0.38 0.06 0.69 -2.05 0.02 -1.90 0.26 113.55 111.00 2dbf h SER 56 Ca 0.40 -0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 61.16 2dbf h SER 56 Cb 0.61 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 2dbf h SER 56 CO -0.42 0.14 -0.81 0.50 -1.14 0.00 0.00 176.83 175.10 2dbf h LYS 57 N 0.06 0.09 0.01 3.45 3.64 -1.15 -3.15 116.57 119.52 2dbf h LYS 57 Ca 0.01 -0.09 -0.25 0.00 -1.27 0.00 0.00 60.65 59.05 2dbf h LYS 57 Cb 0.18 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 2dbf h LYS 57 CO 0.01 0.85 -1.33 1.15 -2.27 0.00 0.00 179.45 177.87 2dbf h THR 58 N 0.05 1.33 0.64 1.00 2.02 -0.41 -3.24 112.91 114.29 2dbf h THR 58 Ca -0.02 -3.09 -0.03 0.00 0.77 0.00 0.00 66.41 64.04 2dbf h THR 58 Cb 1.42 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 70.51 2dbf h THR 58 CO 0.11 0.77 -0.32 0.25 0.37 0.00 0.00 175.52 176.71 2dbf h LEU 59 N 0.01 -0.76 -1.85 2.58 5.85 -0.54 -0.27 115.31 120.32 2dbf h LEU 59 Ca -0.14 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.62 2dbf h LEU 59 Cb 1.89 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 43.11 2dbf h LEU 59 CO 0.11 -0.53 0.12 0.24 -0.34 0.00 0.00 178.44 178.04 2dbf h MET 60 N -0.87 0.19 -0.05 1.25 2.86 -1.70 0.31 114.93 116.92 2dbf h MET 60 Ca -0.09 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.41 2dbf h MET 60 Cb 0.67 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 2dbf h MET 60 CO 0.13 0.13 -0.56 -0.44 1.06 0.00 0.00 176.91 177.23 2dbf h ASP 61 N 0.20 0.19 0.25 1.22 3.32 -1.49 -1.76 116.42 118.34 2dbf h ASP 61 Ca 0.07 -0.10 -0.34 0.00 0.02 0.00 0.00 57.03 56.68 2dbf h ASP 61 Cb 0.04 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.54 2dbf h ASP 61 CO -0.01 0.71 -1.70 0.78 -1.72 0.00 0.00 179.24 177.30 2dbf h ASN 62 N 0.13 0.58 -0.37 6.45 2.35 0.25 -3.29 115.58 121.68 2dbf h ASN 62 Ca -0.00 -0.85 -0.08 0.00 -0.55 0.00 0.00 56.30 54.82 2dbf h ASN 62 Cb 1.03 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 2dbf h ASN 62 CO 0.08 1.71 -0.04 0.22 -1.65 0.00 0.00 177.43 177.75 2dbf h TYR 63 N 0.10 0.83 -0.12 1.19 3.20 -0.46 -2.25 116.97 119.46 2dbf h TYR 63 Ca -0.32 -0.13 -0.05 0.00 3.14 0.00 0.00 58.73 61.37 2dbf h TYR 63 Cb 2.09 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 40.12 2dbf h TYR 63 CO 0.09 0.79 -0.13 1.49 -1.64 0.00 0.00 178.16 178.77 2dbf h GLU 64 N 0.72 0.19 0.03 1.82 4.81 -1.45 0.49 114.58 121.19 2dbf h GLU 64 Ca 0.13 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2dbf h GLU 64 Cb 0.50 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.85 2dbf h GLU 64 CO 0.03 0.33 -0.01 0.28 -0.73 0.00 0.00 179.01 178.91 2dbf h VAL 65 N 0.19 1.42 -0.82 0.32 2.07 -1.53 -3.30 116.25 114.61 2dbf h VAL 65 Ca 0.04 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.95 2dbf h VAL 65 Cb 0.35 2.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.54 2dbf h VAL 65 CO 0.02 0.40 0.51 -1.28 0.02 0.00 0.00 177.57 177.24 2dbf h SER 66 N -0.76 0.96 0.00 0.57 0.87 -1.32 -3.45 113.55 110.42 2dbf h SER 66 Ca -0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2dbf h SER 66 Cb 0.68 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2dbf h SER 66 CO 0.01 0.72 0.00 0.61 -0.53 0.00 0.00 176.83 177.64 2dbf n GLY 67 N -1.33 -0.57 3.71 5.77 0.00 -0.29 -4.97 105.19 107.51 2dbf n GLY 67 Ca 0.09 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 1.37 -0.06 -0.02 0.00 0.16 -4.54 107.32 104.21 2dbf s GLY 68 Ca 0.00 1.46 0.05 0.00 0.00 0.00 0.00 44.72 46.23 2dbf s GLY 68 CO 0.00 2.87 -0.22 -1.59 0.00 0.00 0.00 173.10 174.16 2dbf s THR 69 N 1.64 2.34 0.18 0.90 2.01 -1.26 -1.60 115.64 119.85 2dbf s THR 69 Ca 0.75 -0.96 -0.13 0.00 0.31 0.00 0.00 61.69 61.65 2dbf s THR 69 Cb -0.46 -1.88 0.08 0.00 0.01 0.00 0.00 72.50 70.24 2dbf s THR 69 CO 0.33 0.57 1.83 0.58 -0.69 0.00 0.00 174.62 177.24 2dbf h VAL 70 N 4.98 1.11 -0.32 3.82 2.07 -1.95 -1.03 116.25 124.94 2dbf h VAL 70 Ca -0.34 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2dbf h VAL 70 Cb 1.18 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2dbf h VAL 70 CO 0.49 0.13 0.20 0.03 0.02 0.00 0.00 177.57 178.43 2dbf h ARG 71 N 0.71 0.42 -0.11 1.57 3.08 -1.95 -0.58 114.38 117.51 2dbf h ARG 71 Ca 0.21 -0.03 -0.22 0.00 0.07 0.00 0.00 59.98 60.00 2dbf h ARG 71 Cb -0.04 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 29.92 2dbf h ARG 71 CO -0.06 0.29 -0.82 0.93 -1.07 0.00 0.00 179.97 179.24 2dbf h GLU 72 N 0.43 0.71 -0.32 0.04 3.07 -1.78 -2.08 114.58 114.65 2dbf h GLU 72 Ca 0.12 -0.61 -0.11 0.00 -0.50 0.00 0.00 59.36 58.25 2dbf h GLU 72 Cb -0.03 0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2dbf h GLU 72 CO -0.02 1.22 -0.26 1.25 -1.40 0.00 0.00 179.01 179.80 2dbf h LEU 73 N 0.47 0.66 -0.24 1.33 5.85 -0.53 0.91 115.31 123.76 2dbf h LEU 73 Ca -0.06 -0.24 -0.20 0.00 0.84 0.00 0.00 57.88 58.22 2dbf h LEU 73 Cb 1.44 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2dbf h LEU 73 CO 0.16 0.89 -0.62 0.58 -0.34 0.00 0.00 178.44 179.12 2dbf h VAL 74 N 0.56 1.28 -0.19 1.05 2.07 -1.13 -2.63 116.25 117.26 2dbf h VAL 74 Ca 0.08 -1.81 -0.18 0.00 0.82 0.00 0.00 66.70 65.61 2dbf h VAL 74 Cb 0.74 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 2dbf h VAL 74 CO 0.06 0.58 -0.57 -0.33 0.02 0.00 0.00 177.57 177.33 2dbf h GLU 75 N 0.60 0.72 -0.94 1.57 4.39 -1.28 -3.02 114.58 116.62 2dbf h GLU 75 Ca -0.01 -0.52 0.02 0.00 0.34 0.00 0.00 59.36 59.19 2dbf h GLU 75 Cb 1.24 0.09 -0.05 0.00 -0.10 0.00 0.00 28.75 29.93 2dbf h GLU 75 CO 0.13 1.14 0.62 0.00 -1.16 0.00 0.00 179.01 179.75 2dbf h ALA 76 N 0.58 1.21 -0.00 3.43 0.00 -0.86 -1.03 119.26 122.58 2dbf h ALA 76 Ca -0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2dbf h ALA 76 Cb 1.19 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2dbf h ALA 76 CO 0.12 0.56 -0.25 -0.07 0.00 0.00 0.00 179.25 179.61 2dbf h LEU 77 N 1.25 0.01 -0.03 0.00 3.38 -1.47 -2.41 115.31 116.05 2dbf h LEU 77 Ca 0.35 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.06 2dbf h LEU 77 Cb -0.11 -0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.66 2dbf h LEU 77 CO -0.09 0.26 -1.07 -0.09 0.09 0.00 0.00 178.44 177.55 2dbf h ARG 78 N 0.01 0.57 -0.41 1.13 2.43 -1.16 0.61 114.38 117.56 2dbf h ARG 78 Ca -0.00 -0.66 -0.05 0.00 -0.81 0.00 0.00 59.98 58.46 2dbf h ARG 78 Cb 0.45 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.18 2dbf h ARG 78 CO 0.03 1.26 0.03 1.96 -1.51 0.00 0.00 179.97 181.75 2dbf h GLN 79 N 0.30 0.64 0.09 0.20 4.20 -0.92 -3.09 115.11 116.53 2dbf h GLN 79 Ca -0.13 -0.14 -0.14 0.00 0.06 0.00 0.00 58.65 58.31 2dbf h GLN 79 Cb 1.72 -0.09 0.02 0.00 0.30 0.00 0.00 27.48 29.42 2dbf h GLN 79 CO 0.20 0.64 -0.58 0.52 -0.67 0.00 0.00 178.83 178.94 2dbf h MET 80 N 0.62 0.24 0.00 1.46 2.86 -1.47 -3.49 114.93 115.15 2dbf h MET 80 Ca 0.13 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 2dbf h MET 80 Cb 0.34 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.13 2dbf h MET 80 CO 0.01 1.15 0.00 0.41 1.06 0.00 0.00 176.91 179.54 2dbf n GLY 81 N 1.53 0.83 3.75 8.32 0.00 -0.58 -4.75 105.19 114.29 2dbf n GLY 81 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.53 3.47 -0.08 1.61 2.02 0.20 -4.96 117.35 118.09 2dbf s TYR 82 Ca 0.00 0.50 0.00 0.00 -0.37 0.00 0.00 57.07 57.21 2dbf s TYR 82 Cb 0.00 -2.22 -0.05 0.00 -0.40 0.00 0.00 41.96 39.29 2dbf s TYR 82 CO 0.00 0.34 -0.07 2.41 -1.57 0.00 0.00 175.55 176.66 2dbf n THR 83 N 3.27 0.43 0.08 -0.71 -1.04 -1.26 -4.48 114.28 110.56 2dbf n THR 83 Ca -0.15 -0.16 -0.08 0.00 -2.04 0.00 0.00 64.05 61.62 2dbf n THR 83 Cb 0.52 -0.81 -0.08 0.00 -1.82 0.00 0.00 70.33 68.15 2dbf n THR 83 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2dbf h GLU 84 N -0.01 0.08 -0.26 -2.82 4.57 -1.99 -3.12 114.58 111.02 2dbf h GLU 84 Ca -0.17 -0.11 -0.09 0.00 -1.18 0.00 0.00 59.36 57.81 2dbf h GLU 84 Cb 1.26 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.87 2dbf h GLU 84 CO -0.03 0.99 -0.22 0.00 -1.18 0.00 0.00 179.01 178.58 2dbf h ALA 85 N 0.96 1.15 -0.20 2.92 0.00 -1.99 -2.88 119.26 119.23 2dbf h ALA 85 Ca -0.04 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 2dbf h ALA 85 Cb 1.70 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2dbf h ALA 85 CO 0.14 0.53 -0.66 0.82 0.00 0.00 0.00 179.25 180.08 2dbf h ILE 86 N 0.42 1.29 -0.11 0.00 2.04 -1.78 -3.09 117.51 116.28 2dbf h ILE 86 Ca 0.07 -1.89 -0.01 0.00 1.00 0.00 0.00 64.86 64.03 2dbf h ILE 86 Cb 0.61 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 2dbf h ILE 86 CO 0.04 0.60 0.02 -0.33 0.00 0.00 0.00 178.15 178.48 2dbf h GLU 87 N 0.54 0.15 0.28 2.37 5.08 -1.45 -1.55 114.58 119.99 2dbf h GLU 87 Ca -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2dbf h GLU 87 Cb 1.27 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2dbf h GLU 87 CO 0.14 0.15 -0.13 0.28 -1.00 0.00 0.00 179.01 178.44 2dbf h VAL 88 N 0.15 0.76 0.04 3.13 2.07 -1.43 0.42 116.25 121.39 2dbf h VAL 88 Ca 0.04 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 2dbf h VAL 88 Cb 0.07 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2dbf h VAL 88 CO -0.00 0.08 -0.02 0.40 0.02 0.00 0.00 177.57 178.05 2dbf h ILE 89 N -0.58 1.06 -0.04 4.57 2.04 -1.52 -2.63 117.51 120.41 2dbf h ILE 89 Ca -0.04 -0.33 0.01 0.00 1.00 0.00 0.00 64.86 65.50 2dbf h ILE 89 Cb 0.42 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 2dbf h ILE 89 CO 0.06 0.08 0.03 1.56 0.00 0.00 0.00 178.15 179.88 2dbf h GLN 90 N -0.20 0.03 -0.59 2.37 4.20 -1.33 0.41 115.11 120.01 2dbf h GLN 90 Ca -0.01 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2dbf h GLN 90 Cb 0.18 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 2dbf h GLN 90 CO 0.01 0.02 0.38 0.00 -0.67 0.00 0.00 178.83 178.57 2dbf h ALA 91 N 1.98 1.56 0.02 3.87 0.00 -0.52 -3.22 119.26 122.94 2dbf h ALA 91 Ca 0.02 -0.05 -0.39 0.00 0.00 0.00 0.00 54.91 54.49 2dbf h ALA 91 Cb 0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 2dbf h ALA 91 CO -0.00 0.40 -2.22 0.00 0.00 0.00 0.00 179.25 177.43 2dbf n ALA 92 N -2.45 1.15 -1.66 0.00 0.00 -0.60 -4.91 120.51 112.04 2dbf n ALA 92 Ca 0.06 -0.92 -0.43 0.00 0.00 0.00 0.00 53.44 52.15 2dbf n ALA 92 Cb 0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.27 2dbf n ALA 92 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2dbf n SER 93 N -3.83 4.03 -4.86 0.00 3.41 0.13 -4.96 113.62 107.55 2dbf n SER 93 Ca -0.44 0.89 -0.31 0.00 -0.26 0.00 0.00 58.87 58.74 2dbf n SER 93 Cb 0.92 -1.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.34 2dbf n SER 93 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dbf s SER 94 N 4.56 6.53 0.36 4.04 0.15 -1.26 -4.76 113.70 123.32 2dbf s SER 94 Ca 0.90 1.44 -0.27 0.00 0.70 0.00 0.00 55.95 58.72 2dbf s SER 94 Cb -0.47 -2.46 -0.09 0.00 -1.71 0.00 0.00 66.02 61.29 2dbf s SER 94 CO 0.43 -0.60 1.20 -0.94 1.20 0.00 0.00 173.24 174.53 2dbf s SER 95 N -3.31 6.71 0.00 5.45 1.04 -1.26 -4.94 113.70 117.39 2dbf s SER 95 Ca 0.56 2.43 0.00 0.00 0.48 0.00 0.00 55.95 59.42 2dbf s SER 95 Cb -0.10 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2dbf s SER 95 CO 0.36 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.63 2dbf n GLY 96 N 0.77 0.05 3.56 7.32 0.00 -1.26 -5.07 105.19 110.56 2dbf n GLY 96 Ca 0.02 0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 0.27 2.83 -0.30 1.61 0.04 -1.26 -4.89 135.00 133.30 2dbf s PRO 97 Ca 0.00 0.54 -0.13 0.00 0.04 0.00 0.00 61.00 61.45 2dbf s PRO 97 Cb 0.00 -4.31 0.17 0.00 0.04 0.00 0.00 34.50 30.39 2dbf s PRO 97 CO 0.00 -2.50 0.95 -1.12 0.04 0.00 0.00 177.00 174.37 2dbf s SER 98 N 6.93 -0.66 0.05 6.66 0.01 -1.26 -5.10 113.70 120.33 2dbf s SER 98 Ca 0.62 0.70 0.00 0.00 1.31 0.00 0.00 55.95 58.58 2dbf s SER 98 Cb -0.12 1.67 0.00 0.00 0.21 0.00 0.00 66.02 67.77 2dbf s SER 98 CO 0.21 -0.13 0.00 -1.20 0.41 0.00 0.00 173.24 172.54 2dbf n SER 99 N 5.18 -9.34 0.00 2.44 7.64 -1.26 -5.25 113.62 113.03 2dbf n SER 99 Ca -0.08 1.75 0.00 0.00 1.01 0.00 0.00 58.87 61.55 2dbf n SER 99 Cb 0.53 -5.11 0.00 0.00 -1.01 0.00 0.00 64.21 58.61 2dbf n SER 99 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64