#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dws s LEU 2 N 0.00 2.74 0.87 0.99 1.02 -1.26 -5.09 118.68 117.95 1dws s LEU 2 Ca 0.00 -0.52 -0.13 0.00 0.02 0.00 0.00 54.13 53.50 1dws s LEU 2 Cb 0.00 -1.59 0.12 0.00 0.02 0.00 0.00 46.19 44.74 1dws s LEU 2 CO 0.00 0.19 1.18 -0.94 0.02 0.00 0.00 176.35 176.80 1dws s SER 3 N -2.08 3.94 0.20 2.29 1.04 -1.26 -4.85 113.70 112.98 1dws s SER 3 Ca 0.18 0.78 -0.09 0.00 0.48 0.00 0.00 55.95 57.30 1dws s SER 3 Cb -0.11 -1.24 0.11 0.00 0.10 0.00 0.00 66.02 64.89 1dws s SER 3 CO 0.10 -2.26 1.72 0.44 0.98 0.00 0.00 173.24 174.22 1dws h ASP 4 N -1.30 1.04 -0.85 7.02 3.32 -2.00 -1.35 116.42 122.30 1dws h ASP 4 Ca -0.47 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 56.38 1dws h ASP 4 Cb 1.32 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 40.55 1dws h ASP 4 CO 0.61 0.98 0.55 1.23 -1.72 0.00 0.00 179.24 180.89 1dws h GLY 5 N 1.04 1.21 1.08 2.75 0.00 -2.00 -1.20 103.07 105.95 1dws h GLY 5 Ca 0.22 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 1dws h GLY 5 CO -0.00 0.40 -0.18 0.83 0.00 0.00 0.00 176.54 177.58 1dws h GLU 6 N 1.11 0.95 -0.49 4.80 5.08 -1.82 -2.15 114.58 122.05 1dws h GLU 6 Ca 0.32 -0.40 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1dws h GLU 6 Cb -0.07 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1dws h GLU 6 CO -0.09 1.06 0.14 -1.49 -1.00 0.00 0.00 179.01 177.63 1dws h TRP 7 N 0.80 0.74 -0.55 4.33 -0.00 -0.87 -0.52 115.95 119.88 1dws h TRP 7 Ca 0.11 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.89 58.91 1dws h TRP 7 Cb 0.75 -0.22 -0.02 0.00 -0.00 0.00 0.00 29.16 29.66 1dws h TRP 7 CO 0.05 0.62 0.18 0.37 -0.00 0.00 0.00 178.44 179.66 1dws h GLN 8 N 0.71 0.84 -0.55 0.49 4.15 -0.99 -0.92 115.11 118.85 1dws h GLN 8 Ca 0.16 -0.18 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1dws h GLN 8 Cb 0.23 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 1dws h GLN 8 CO -0.01 0.76 0.20 1.96 -1.93 0.00 0.00 178.83 179.82 1dws h GLN 9 N 0.75 0.83 0.06 1.69 1.08 -0.73 -0.45 115.11 118.34 1dws h GLN 9 Ca 0.18 -0.16 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1dws h GLN 9 Cb 0.26 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 1dws h GLN 9 CO -0.01 0.73 -0.10 0.28 -0.95 0.00 0.00 178.83 178.79 1dws h VAL 10 N 0.75 0.76 0.00 -0.54 2.07 -0.78 -0.28 116.25 118.23 1dws h VAL 10 Ca 0.18 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.70 1dws h VAL 10 Cb 0.23 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1dws h VAL 10 CO -0.01 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 177.51 1dws h LEU 11 N -0.20 0.00 -0.03 2.57 3.38 -1.08 -1.15 115.31 118.79 1dws h LEU 11 Ca 0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1dws h LEU 11 Cb 0.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1dws h LEU 11 CO -0.05 0.00 -0.57 -1.13 0.09 0.00 0.00 178.44 176.77 1dws h ASN 12 N 0.00 0.55 -0.41 -0.43 -0.73 -0.34 -3.10 115.58 111.12 1dws h ASN 12 Ca 0.00 -0.73 -0.04 0.00 1.87 0.00 0.00 56.30 57.40 1dws h ASN 12 Cb 0.51 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.91 1dws h ASN 12 CO 0.00 1.20 0.13 0.58 -0.37 0.00 0.00 177.43 178.97 1dws h VAL 13 N -0.05 1.20 0.00 2.57 2.07 -0.72 -2.23 116.25 119.08 1dws h VAL 13 Ca -0.06 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1dws h VAL 13 Cb 1.27 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 1dws h VAL 13 CO 0.11 0.26 -0.07 -0.25 0.02 0.00 0.00 177.57 177.65 1dws h TRP 14 N 0.69 0.00 0.00 1.57 2.91 -1.18 -1.71 115.95 118.23 1dws h TRP 14 Ca 0.16 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.17 1dws h TRP 14 Cb 0.24 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.89 1dws h TRP 14 CO 0.01 0.07 -0.06 0.78 -1.03 0.00 0.00 178.44 178.21 1dws h GLY 15 N 0.82 0.00 0.77 2.65 0.00 -1.33 -0.27 103.07 105.71 1dws h GLY 15 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1dws h GLY 15 CO 0.01 0.00 -0.02 0.50 0.00 0.00 0.00 176.54 177.03 1dws h LYS 16 N 0.00 0.28 -0.57 4.80 1.57 -1.45 -2.79 116.57 118.41 1dws h LYS 16 Ca -0.00 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1dws h LYS 16 Cb 0.10 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1dws h LYS 16 CO 0.01 0.54 0.34 0.28 -0.57 0.00 0.00 179.45 180.05 1dws h VAL 17 N -0.01 1.17 0.00 0.50 2.07 -1.42 -2.74 116.25 115.82 1dws h VAL 17 Ca 0.04 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1dws h VAL 17 Cb 0.43 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1dws h VAL 17 CO 0.01 0.17 0.00 -0.33 0.02 0.00 0.00 177.57 177.45 1dws h GLU 18 N 0.77 0.00 0.00 1.57 5.08 -1.01 -0.47 114.58 120.51 1dws h GLU 18 Ca 0.20 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 1dws h GLU 18 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1dws h GLU 18 CO -0.04 0.00 -0.30 0.00 -1.00 0.00 0.00 179.01 177.67 1dws h ALA 19 N 2.01 0.96 -0.57 3.43 0.00 -1.20 -3.37 119.26 120.52 1dws h ALA 19 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 54.91 54.34 1dws h ALA 19 Cb 0.24 -0.05 -0.20 0.00 0.00 0.00 0.00 17.79 17.78 1dws h ALA 19 CO 0.00 0.38 -0.63 -3.47 0.00 0.00 0.00 179.25 175.53 1dws n ASP 20 N -3.40 -2.26 -0.30 0.00 2.03 -0.69 -5.03 116.55 106.90 1dws n ASP 20 Ca 0.00 -3.12 -0.06 0.00 0.52 0.00 0.00 54.79 52.14 1dws n ASP 20 Cb 0.50 1.26 0.07 0.00 -0.72 0.00 0.00 41.12 42.22 1dws n ASP 20 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1dws h ILE 21 N 3.02 1.26 -0.28 5.18 2.10 -1.29 -1.67 117.51 125.83 1dws h ILE 21 Ca -0.07 -0.79 -0.12 0.00 1.08 0.00 0.00 64.86 64.95 1dws h ILE 21 Cb 1.00 0.27 -0.01 0.00 -1.09 0.00 0.00 36.82 36.99 1dws h ILE 21 CO 0.33 0.33 -0.33 0.00 -1.08 0.00 0.00 178.15 177.40 1dws h ALA 22 N 1.18 0.90 -0.10 0.18 0.00 -1.87 0.14 119.26 119.69 1dws h ALA 22 Ca 0.27 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1dws h ALA 22 Cb 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1dws h ALA 22 CO -0.03 0.62 -0.05 0.78 0.00 0.00 0.00 179.25 180.57 1dws h GLY 23 N 1.02 0.23 1.05 0.00 0.00 -1.87 0.84 103.07 104.35 1dws h GLY 23 Ca 0.06 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 1dws h GLY 23 CO 0.07 0.19 0.14 0.45 0.00 0.00 0.00 176.54 177.39 1dws h HIS 24 N -0.15 1.13 -0.43 5.60 -0.00 -1.28 -1.88 115.15 118.15 1dws h HIS 24 Ca 0.02 -0.14 -0.01 0.00 -0.00 0.00 0.00 60.37 60.24 1dws h HIS 24 Cb 0.51 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.59 1dws h HIS 24 CO 0.07 0.94 0.23 0.78 -0.00 0.00 0.00 177.93 179.94 1dws h GLY 25 N 0.99 0.66 0.94 2.45 0.00 -0.64 -0.71 103.07 106.76 1dws h GLY 25 Ca 0.20 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1dws h GLY 25 CO 0.01 0.30 0.06 -1.61 0.00 0.00 0.00 176.54 175.29 1dws h GLN 26 N 0.56 0.15 -0.34 4.80 4.15 -0.68 -2.21 115.11 121.54 1dws h GLN 26 Ca 0.15 -0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 1dws h GLN 26 Cb 0.08 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1dws h GLN 26 CO -0.02 0.18 -0.06 0.93 -1.93 0.00 0.00 178.83 177.93 1dws h GLU 27 N 0.08 0.56 -0.32 1.69 5.08 -1.19 -0.74 114.58 119.74 1dws h GLU 27 Ca 0.04 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1dws h GLU 27 Cb 0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1dws h GLU 27 CO -0.01 0.63 0.09 0.28 -1.00 0.00 0.00 179.01 179.00 1dws h VAL 28 N 0.52 1.21 -0.39 3.13 2.07 -0.96 -0.76 116.25 121.09 1dws h VAL 28 Ca 0.10 -0.70 -0.04 0.00 0.82 0.00 0.00 66.70 66.88 1dws h VAL 28 Cb 0.43 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1dws h VAL 28 CO 0.02 0.24 0.07 -0.07 0.02 0.00 0.00 177.57 177.85 1dws h LEU 29 N 0.35 0.61 -0.90 2.57 3.38 -1.15 -1.62 115.31 118.55 1dws h LEU 29 Ca 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1dws h LEU 29 Cb 0.27 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1dws h LEU 29 CO -0.00 0.70 0.51 0.40 0.09 0.00 0.00 178.44 180.14 1dws h ILE 30 N 0.48 1.26 -0.80 1.22 2.04 -1.04 -0.25 117.51 120.42 1dws h ILE 30 Ca 0.12 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1dws h ILE 30 Cb 0.35 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 1dws h ILE 30 CO 0.01 0.28 0.32 -0.09 0.00 0.00 0.00 178.15 178.67 1dws h ARG 31 N 1.26 1.20 -0.07 2.37 9.65 -0.98 -0.07 114.38 127.74 1dws h ARG 31 Ca 0.32 -0.22 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 1dws h ARG 31 Cb 0.00 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.39 1dws h ARG 31 CO -0.05 0.97 0.02 1.25 2.80 0.00 0.00 179.97 184.95 1dws h LEU 32 N 1.17 0.11 -0.37 3.80 5.85 -0.59 -1.49 115.31 123.79 1dws h LEU 32 Ca 0.27 -0.24 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 1dws h LEU 32 Cb 0.22 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1dws h LEU 32 CO -0.02 0.33 -0.07 -0.26 -0.34 0.00 0.00 178.44 178.08 1dws h PHE 33 N -0.11 0.78 -0.21 1.25 0.04 -0.92 0.07 116.94 117.84 1dws h PHE 33 Ca 0.02 -0.16 -0.18 0.00 2.80 0.00 0.00 57.97 60.45 1dws h PHE 33 Cb 0.26 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 1dws h PHE 33 CO 0.01 0.83 -0.60 1.79 -0.60 0.00 0.00 178.31 179.74 1dws h THR 34 N 0.50 1.30 0.01 -1.55 1.35 -1.06 -2.59 112.91 110.87 1dws h THR 34 Ca 0.10 -1.83 -0.20 0.00 -0.55 0.00 0.00 66.41 63.93 1dws h THR 34 Cb 0.57 1.78 -0.02 0.00 -1.73 0.00 0.00 68.15 68.75 1dws h THR 34 CO 0.03 0.58 -0.90 1.23 -0.25 0.00 0.00 175.52 176.21 1dws h GLY 35 N 0.87 0.13 -6.45 5.82 0.00 -1.28 -3.39 103.07 98.76 1dws h GLY 35 Ca -0.00 -0.25 -0.59 0.00 0.00 0.00 0.00 47.33 46.48 1dws h GLY 35 CO 0.12 0.22 -0.93 0.30 0.00 0.00 0.00 176.54 176.26 1dws s HIS 36 N -3.09 1.38 0.57 5.60 3.76 0.01 -5.01 115.29 118.52 1dws s HIS 36 Ca -0.02 -2.44 0.31 0.00 -0.15 0.00 0.00 55.06 52.76 1dws s HIS 36 Cb 0.10 -1.13 1.44 0.00 1.11 0.00 0.00 32.58 34.10 1dws s HIS 36 CO 0.82 -0.80 1.83 -1.35 -0.85 0.00 0.00 174.74 174.39 1dws h PRO 37 N 5.62 0.00 0.00 8.40 0.11 -1.67 -0.64 132.00 143.82 1dws h PRO 37 Ca 0.25 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.32 1dws h PRO 37 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1dws h PRO 37 CO 0.41 0.00 -0.21 1.05 -0.21 0.00 0.00 178.00 179.04 1dws h GLU 38 N 0.00 0.00 -0.22 1.05 9.09 -1.93 -2.13 114.58 120.45 1dws h GLU 38 Ca 0.34 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.73 1dws h GLU 38 Cb 1.64 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.72 1dws h GLU 38 CO -0.00 0.21 0.01 1.79 0.05 0.00 0.00 179.01 181.06 1dws h THR 39 N 0.00 1.14 -0.53 -1.06 1.35 -1.44 -2.05 112.91 110.32 1dws h THR 39 Ca -0.00 -0.53 -0.01 0.00 -0.55 0.00 0.00 66.41 65.32 1dws h THR 39 Cb 0.39 0.97 -0.03 0.00 -1.73 0.00 0.00 68.15 67.75 1dws h THR 39 CO 0.03 0.18 0.28 0.25 -0.25 0.00 0.00 175.52 176.01 1dws h LEU 40 N 0.31 0.65 -1.33 3.87 5.85 -1.53 -1.87 115.31 121.26 1dws h LEU 40 Ca 0.07 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1dws h LEU 40 Cb 0.21 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.07 1dws h LEU 40 CO 0.00 0.54 0.00 -0.33 -0.34 0.00 0.00 178.44 178.31 1dws h GLU 41 N 0.74 0.00 0.00 1.25 4.39 -1.44 -1.36 114.58 118.16 1dws h GLU 41 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1dws h GLU 41 Cb 0.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1dws h GLU 41 CO -0.03 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.45 1dws n LYS 42 N -2.44 0.23 -3.52 2.33 4.76 -0.70 -4.55 118.16 114.28 1dws n LYS 42 Ca -0.00 0.22 -0.42 0.00 -2.87 0.00 0.00 58.31 55.25 1dws n LYS 42 Cb 0.14 -1.79 -0.08 0.00 -1.84 0.00 0.00 35.03 31.47 1dws n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1dws s PHE 43 N -3.12 3.38 0.56 2.13 0.40 -0.51 -4.93 117.98 115.90 1dws s PHE 43 Ca 0.10 -1.70 0.42 0.00 -0.60 0.00 0.00 56.93 55.15 1dws s PHE 43 Cb 0.12 -3.45 2.20 0.00 0.51 0.00 0.00 43.02 42.41 1dws s PHE 43 CO 0.57 -0.97 2.30 -0.44 0.70 0.00 0.00 175.22 177.37 1dws h ASP 44 N 8.52 0.00 -0.06 1.36 3.32 -1.83 -1.40 116.42 126.34 1dws h ASP 44 Ca -0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1dws h ASP 44 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1dws h ASP 44 CO 0.87 0.00 0.00 2.29 -1.72 0.00 0.00 179.24 180.69 1dws n LYS 45 N -3.15 2.10 0.00 3.56 2.85 -1.26 -4.23 118.16 118.03 1dws n LYS 45 Ca -0.02 -1.61 0.00 0.00 -1.05 0.00 0.00 58.31 55.62 1dws n LYS 45 Cb 0.11 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.03 1dws n LYS 45 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1dws n PHE 46 N 0.94 0.00 0.15 5.58 3.72 -0.60 -4.75 117.46 122.49 1dws n PHE 46 Ca 0.16 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.65 1dws n PHE 46 Cb 0.51 0.00 0.60 0.00 -0.94 0.00 0.00 39.48 39.65 1dws n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1dws h LYS 47 N 0.00 0.13 0.00 -1.08 2.10 -1.53 -1.29 116.57 114.89 1dws h LYS 47 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1dws h LYS 47 Cb 0.11 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 1dws h LYS 47 CO 0.00 0.08 0.00 -2.39 -2.00 0.00 0.00 179.45 175.14 1dws n HIS 48 N -4.50 0.48 -2.33 0.07 1.44 -1.26 -4.54 115.22 104.58 1dws n HIS 48 Ca 0.01 0.21 -0.40 0.00 -2.01 0.00 0.00 57.72 55.53 1dws n HIS 48 Cb 0.18 -0.84 -0.03 0.00 0.12 0.00 0.00 29.99 29.42 1dws n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1dws s LEU 49 N -3.92 3.25 0.13 2.39 1.43 -0.49 -4.84 118.68 116.64 1dws s LEU 49 Ca 0.03 -0.01 0.17 0.00 -1.03 0.00 0.00 54.13 53.28 1dws s LEU 49 Cb 0.07 -2.64 -0.07 0.00 0.03 0.00 0.00 46.19 43.58 1dws s LEU 49 CO 0.26 -2.02 1.02 0.11 0.23 0.00 0.00 176.35 175.95 1dws h LYS 50 N 12.08 0.00 -5.05 1.70 1.79 -1.88 -3.48 116.57 121.73 1dws h LYS 50 Ca -0.27 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 57.84 1dws h LYS 50 Cb 1.10 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.61 1dws h LYS 50 CO 1.24 0.34 -0.67 0.95 -1.08 0.00 0.00 179.45 180.23 1dws s THR 51 N -2.96 1.01 0.32 -0.16 -4.23 -1.26 -5.04 115.64 103.32 1dws s THR 51 Ca -0.01 -2.03 0.07 0.00 -1.18 0.00 0.00 61.69 58.55 1dws s THR 51 Cb 0.08 -2.24 0.07 0.00 1.34 0.00 0.00 72.50 71.76 1dws s THR 51 CO 0.79 -0.41 1.76 -0.08 -0.54 0.00 0.00 174.62 176.14 1dws h GLU 52 N 2.55 0.23 -0.36 3.99 4.81 -1.99 -1.62 114.58 122.20 1dws h GLU 52 Ca -0.38 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1dws h GLU 52 Cb 1.22 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1dws h GLU 52 CO 0.64 0.55 0.23 0.00 -0.73 0.00 0.00 179.01 179.69 1dws h ALA 53 N 1.45 0.46 -0.72 2.92 0.00 -1.98 0.20 119.26 121.58 1dws h ALA 53 Ca 0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1dws h ALA 53 Cb 0.69 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1dws h ALA 53 CO 0.05 -0.07 0.36 0.93 0.00 0.00 0.00 179.25 180.53 1dws h GLU 54 N 0.48 1.02 0.39 0.00 5.08 -1.88 0.11 114.58 119.79 1dws h GLU 54 Ca 0.13 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1dws h GLU 54 Cb -0.03 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1dws h GLU 54 CO -0.03 0.78 -0.19 0.52 -1.00 0.00 0.00 179.01 179.09 1dws h MET 55 N 1.02 -0.51 0.00 2.33 2.86 -0.41 -1.75 114.93 118.46 1dws h MET 55 Ca 0.25 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.92 1dws h MET 55 Cb 0.08 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.86 1dws h MET 55 CO -0.03 -0.29 -0.05 -0.22 1.06 0.00 0.00 176.91 177.37 1dws h LYS 56 N -0.60 0.00 -0.01 1.72 1.63 -0.35 -1.66 116.57 117.29 1dws h LYS 56 Ca -0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1dws h LYS 56 Cb 0.45 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1dws h LYS 56 CO 0.09 0.05 -0.19 0.00 -3.45 0.00 0.00 179.45 175.95 1dws n ALA 57 N -2.43 2.94 -2.63 5.00 0.00 0.00 -4.86 120.51 118.53 1dws n ALA 57 Ca -0.03 -0.37 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 1dws n ALA 57 Cb 0.13 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.36 1dws n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1dws s SER 58 N -2.43 6.84 0.26 0.00 0.15 -0.63 -4.91 113.70 112.98 1dws s SER 58 Ca 0.27 0.92 0.08 0.00 0.70 0.00 0.00 55.95 57.93 1dws s SER 58 Cb 0.20 -2.49 0.31 0.00 -1.71 0.00 0.00 66.02 62.32 1dws s SER 58 CO 0.49 -0.78 1.59 -0.33 1.20 0.00 0.00 173.24 175.40 1dws h GLU 59 N 8.07 0.08 0.00 5.44 4.39 -1.89 -2.90 114.58 127.77 1dws h GLU 59 Ca -0.22 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.30 1dws h GLU 59 Cb 1.07 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 1dws h GLU 59 CO 0.98 0.68 -0.59 0.22 -1.16 0.00 0.00 179.01 179.14 1dws h ASP 60 N 0.06 0.00 -0.03 1.42 3.58 -1.96 -1.30 116.42 118.18 1dws h ASP 60 Ca -0.01 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.28 1dws h ASP 60 Cb 1.12 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.16 1dws h ASP 60 CO 0.09 0.59 -0.55 0.25 -2.88 0.00 0.00 179.24 176.74 1dws h LEU 61 N 0.00 0.69 -0.62 2.28 6.46 -1.86 -0.57 115.31 121.68 1dws h LEU 61 Ca -0.01 -0.37 -0.11 0.00 -0.12 0.00 0.00 57.88 57.28 1dws h LEU 61 Cb 1.11 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.83 1dws h LEU 61 CO 0.08 1.09 -0.10 0.50 -0.62 0.00 0.00 178.44 179.39 1dws h LYS 62 N 0.47 0.98 -0.06 1.25 3.64 -1.31 -0.84 116.57 120.71 1dws h LYS 62 Ca 0.01 -0.35 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1dws h LYS 62 Cb 1.10 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1dws h LYS 62 CO 0.11 1.02 0.03 -0.22 -2.27 0.00 0.00 179.45 178.12 1dws h LYS 63 N 0.88 0.08 0.00 1.90 3.64 -1.01 -1.71 116.57 120.34 1dws h LYS 63 Ca 0.14 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1dws h LYS 63 Cb 0.65 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1dws h LYS 63 CO 0.04 0.11 -0.30 1.25 -2.27 0.00 0.00 179.45 178.29 1dws h HIS 64 N 0.02 0.00 -0.85 1.91 2.76 -0.98 -1.76 115.15 116.25 1dws h HIS 64 Ca 0.02 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 1dws h HIS 64 Cb 0.05 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 28.98 1dws h HIS 64 CO -0.05 0.30 0.42 0.78 -1.30 0.00 0.00 177.93 178.07 1dws h GLY 65 N 0.95 1.30 1.05 5.26 0.00 -0.50 0.33 103.07 111.46 1dws h GLY 65 Ca -0.00 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 46.58 1dws h GLY 65 CO 0.04 0.60 -0.13 -0.84 0.00 0.00 0.00 176.54 176.22 1dws h THR 66 N 1.20 1.27 -0.45 4.70 2.02 -0.52 -1.85 112.91 119.29 1dws h THR 66 Ca 0.29 -1.26 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 1dws h THR 66 Cb 0.10 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1dws h THR 66 CO -0.04 0.44 0.24 0.58 0.37 0.00 0.00 175.52 177.11 1dws h VAL 67 N 0.77 1.17 0.21 3.16 2.07 -0.76 -0.89 116.25 121.98 1dws h VAL 67 Ca 0.12 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1dws h VAL 67 Cb 0.68 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1dws h VAL 67 CO 0.05 0.18 -0.10 0.58 0.02 0.00 0.00 177.57 178.29 1dws h VAL 68 N 0.59 0.86 -0.12 2.57 2.07 -0.88 -2.62 116.25 118.73 1dws h VAL 68 Ca 0.16 -0.43 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 1dws h VAL 68 Cb 0.07 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1dws h VAL 68 CO -0.02 0.10 -0.36 -0.07 0.02 0.00 0.00 177.57 177.23 1dws h LEU 69 N -0.50 0.26 -0.64 2.57 3.38 -1.34 -1.81 115.31 117.23 1dws h LEU 69 Ca -0.03 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1dws h LEU 69 Cb 0.38 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1dws h LEU 69 CO 0.05 0.61 0.25 0.74 0.09 0.00 0.00 178.44 180.17 1dws h THR 70 N 0.22 1.24 -0.18 0.22 2.02 -1.17 0.19 112.91 115.45 1dws h THR 70 Ca 0.02 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 1dws h THR 70 Cb 0.74 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 1dws h THR 70 CO 0.06 0.30 0.05 0.00 0.37 0.00 0.00 175.52 176.30 1dws h ALA 71 N 1.10 0.23 -0.70 6.16 0.00 -1.21 -1.83 119.26 123.02 1dws h ALA 71 Ca 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1dws h ALA 71 Cb 0.22 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1dws h ALA 71 CO -0.02 -0.14 0.31 1.25 0.00 0.00 0.00 179.25 180.65 1dws h LEU 72 N 0.11 0.92 -0.70 0.00 5.85 -1.09 -2.46 115.31 117.94 1dws h LEU 72 Ca 0.06 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.60 1dws h LEU 72 Cb 0.24 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1dws h LEU 72 CO -0.00 0.80 0.20 1.23 -0.34 0.00 0.00 178.44 180.33 1dws h GLY 73 N 1.07 1.18 1.29 3.75 0.00 -0.41 -0.84 103.07 109.10 1dws h GLY 73 Ca 0.24 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.80 1dws h GLY 73 CO -0.03 0.67 0.12 -1.33 0.00 0.00 0.00 176.54 175.96 1dws h GLY 74 N 1.04 0.95 0.79 4.60 0.00 -1.04 -2.10 103.07 107.30 1dws h GLY 74 Ca 0.22 -0.57 -0.04 0.00 0.00 0.00 0.00 47.33 46.94 1dws h GLY 74 CO -0.00 0.54 -0.05 -2.22 0.00 0.00 0.00 176.54 174.80 1dws h ILE 75 N 0.85 1.29 -0.78 2.60 2.04 -1.07 -3.15 117.51 119.29 1dws h ILE 75 Ca 0.18 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 65.01 1dws h ILE 75 Cb 0.34 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.98 1dws h ILE 75 CO 0.00 0.31 0.51 -0.07 0.00 0.00 0.00 178.15 178.91 1dws h LEU 76 N 0.06 0.89 -0.13 1.44 3.38 -1.00 -1.16 115.31 118.79 1dws h LEU 76 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1dws h LEU 76 Cb 0.50 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1dws h LEU 76 CO 0.02 0.64 0.00 0.29 0.09 0.00 0.00 178.44 179.48 1dws n LYS 77 N -4.42 0.03 0.05 1.13 5.02 -0.81 -1.01 118.16 118.14 1dws n LYS 77 Ca 0.09 0.34 0.13 0.00 -2.02 0.00 0.00 58.31 56.85 1dws n LYS 77 Cb 0.04 -1.56 0.34 0.00 -0.02 0.00 0.00 35.03 33.82 1dws n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1dws n LYS 78 N -1.61 0.16 -3.81 1.97 4.76 -0.44 -4.96 118.16 114.24 1dws n LYS 78 Ca 0.02 0.08 -0.23 0.00 -2.87 0.00 0.00 58.31 55.31 1dws n LYS 78 Cb 0.13 -1.64 0.01 0.00 -1.84 0.00 0.00 35.03 31.69 1dws n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1dws n LYS 79 N -1.90 -4.23 0.00 1.97 5.02 -0.18 -2.30 118.16 116.55 1dws n LYS 79 Ca 0.05 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1dws n LYS 79 Cb 0.40 -4.91 0.00 0.00 -0.02 0.00 0.00 35.03 30.50 1dws n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dws n GLY 80 N -1.75 3.01 2.58 0.72 0.00 -1.26 -4.94 105.19 103.55 1dws n GLY 80 Ca -0.30 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 1dws n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1dws n HIS 81 N 0.00 2.78 -1.11 1.61 8.25 -0.97 -4.59 115.22 121.19 1dws n HIS 81 Ca 0.00 -2.90 0.08 0.00 -0.26 0.00 0.00 57.72 54.64 1dws n HIS 81 Cb 0.00 -2.13 0.19 0.00 1.12 0.00 0.00 29.99 29.16 1dws n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1dws n HIS 82 N 3.38 0.36 -0.08 4.41 1.44 -1.26 -4.82 115.22 118.65 1dws n HIS 82 Ca 0.59 -1.04 -0.07 0.00 -2.01 0.00 0.00 57.72 55.20 1dws n HIS 82 Cb 0.29 -0.23 -0.00 0.00 0.12 0.00 0.00 29.99 30.17 1dws n HIS 82 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1dws h GLU 83 N 0.69 -0.15 -0.86 -1.40 4.57 -1.99 0.23 114.58 115.68 1dws h GLU 83 Ca 0.01 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1dws h GLU 83 Cb 1.18 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.76 1dws h GLU 83 CO 0.09 -0.10 0.57 0.00 -1.18 0.00 0.00 179.01 178.39 1dws h ALA 84 N 1.03 1.41 0.14 2.92 0.00 -2.00 -1.07 119.26 121.69 1dws h ALA 84 Ca 0.16 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 54.72 1dws h ALA 84 Cb 0.40 -0.34 0.02 0.00 0.00 0.00 0.00 17.79 17.87 1dws h ALA 84 CO -0.40 0.54 -1.26 0.93 0.00 0.00 0.00 179.25 179.06 1dws h GLU 85 N 1.14 0.49 0.02 0.00 3.07 -1.80 -3.39 114.58 114.11 1dws h GLU 85 Ca 0.32 -0.71 -0.16 0.00 -0.50 0.00 0.00 59.36 58.32 1dws h GLU 85 Cb -0.09 0.25 0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1dws h GLU 85 CO -0.08 1.32 -0.64 1.25 -1.40 0.00 0.00 179.01 179.46 1dws h LEU 86 N 0.19 0.52 -0.35 1.33 6.46 -0.35 -3.36 115.31 119.76 1dws h LEU 86 Ca -0.18 -0.79 0.06 0.00 -0.12 0.00 0.00 57.88 56.85 1dws h LEU 86 Cb 1.94 -0.16 -0.08 0.00 -0.73 0.00 0.00 40.66 41.63 1dws h LEU 86 CO 0.23 1.25 -0.48 0.50 -0.62 0.00 0.00 178.44 179.32 1dws h LYS 87 N -0.15 -0.38 -0.46 1.25 3.64 -1.38 -0.86 116.57 118.23 1dws h LYS 87 Ca -0.09 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.37 1dws h LYS 87 Cb 1.37 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.25 1dws h LYS 87 CO 0.12 -0.25 0.31 -1.00 -2.27 0.00 0.00 179.45 176.36 1dws h PRO 88 N -0.39 0.39 -0.19 1.90 0.13 -1.76 -1.01 132.00 131.06 1dws h PRO 88 Ca 0.10 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.12 1dws h PRO 88 Cb 0.61 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.65 1dws h PRO 88 CO -0.55 0.26 -0.24 -0.07 -0.23 0.00 0.00 178.00 177.17 1dws h LEU 89 N 0.40 0.53 -0.77 1.56 3.38 -1.48 -1.98 115.31 116.95 1dws h LEU 89 Ca 0.20 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.68 1dws h LEU 89 Cb 0.28 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1dws h LEU 89 CO -0.05 0.93 0.51 0.00 0.09 0.00 0.00 178.44 179.92 1dws h ALA 90 N 0.62 0.99 -0.47 1.53 0.00 -0.54 -1.22 119.26 120.17 1dws h ALA 90 Ca 0.02 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1dws h ALA 90 Cb 0.80 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1dws h ALA 90 CO 0.06 0.36 -0.22 1.96 0.00 0.00 0.00 179.25 181.41 1dws h GLN 91 N 1.02 0.98 -0.13 0.00 4.20 -1.16 -1.17 115.11 118.84 1dws h GLN 91 Ca 0.29 -0.43 -0.16 0.00 0.06 0.00 0.00 58.65 58.42 1dws h GLN 91 Cb -0.08 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 1dws h GLN 91 CO -0.08 1.10 -0.58 0.66 -0.67 0.00 0.00 178.83 179.26 1dws h SER 92 N 0.83 0.47 0.69 1.46 4.64 -1.17 0.20 113.55 120.67 1dws h SER 92 Ca 0.11 -0.26 -0.12 0.00 -0.47 0.00 0.00 61.79 61.04 1dws h SER 92 Cb 0.80 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1dws h SER 92 CO 0.07 0.95 -0.59 0.45 -0.87 0.00 0.00 176.83 176.83 1dws h HIS 93 N 0.32 0.00 0.03 4.77 3.86 -1.12 0.24 115.15 123.25 1dws h HIS 93 Ca -0.00 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.04 1dws h HIS 93 Cb 1.10 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.56 1dws h HIS 93 CO 0.04 0.59 -0.91 0.00 0.86 0.00 0.00 177.93 178.51 1dws h ALA 94 N 1.41 0.16 0.04 2.45 0.00 -1.10 0.33 119.26 122.55 1dws h ALA 94 Ca -0.01 -0.96 -0.12 0.00 0.00 0.00 0.00 54.91 53.83 1dws h ALA 94 Cb 1.10 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1dws h ALA 94 CO 0.08 0.52 -0.61 1.15 0.00 0.00 0.00 179.25 180.39 1dws h THR 95 N -0.81 1.45 0.07 0.00 2.02 -0.66 -3.25 112.91 111.73 1dws h THR 95 Ca -0.23 -2.35 -0.24 0.00 0.77 0.00 0.00 66.41 64.36 1dws h THR 95 Cb 1.33 3.01 -0.01 0.00 -1.74 0.00 0.00 68.15 70.74 1dws h THR 95 CO -0.07 0.57 -1.29 0.50 0.37 0.00 0.00 175.52 175.60 1dws h LYS 96 N -0.80 0.15 0.00 6.66 3.64 -1.02 -3.40 116.57 121.80 1dws h LYS 96 Ca -0.14 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1dws h LYS 96 Cb 1.28 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1dws h LYS 96 CO -0.01 1.12 -0.75 0.45 -2.27 0.00 0.00 179.45 177.98 1dws h HIS 97 N -0.55 0.00 -5.92 1.91 3.86 -0.77 -3.49 115.15 110.19 1dws h HIS 97 Ca -0.30 0.00 -0.39 0.00 -1.16 0.00 0.00 60.37 58.52 1dws h HIS 97 Cb 1.57 0.00 0.10 0.00 1.06 0.00 0.00 27.41 30.14 1dws h HIS 97 CO 0.13 0.00 -0.78 1.63 0.86 0.00 0.00 177.93 179.76 1dws n LYS 98 N -2.27 -5.96 -3.21 2.45 4.76 -0.50 -4.96 118.16 108.47 1dws n LYS 98 Ca 0.02 0.73 -0.44 0.00 -2.87 0.00 0.00 58.31 55.75 1dws n LYS 98 Cb 0.47 -5.55 -0.07 0.00 -1.84 0.00 0.00 35.03 28.05 1dws n LYS 98 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1dws s ILE 99 N -3.48 4.95 0.64 -0.18 -1.09 0.10 -5.01 121.20 117.14 1dws s ILE 99 Ca 0.14 -0.45 -0.18 0.00 -2.23 0.00 0.00 60.65 57.93 1dws s ILE 99 Cb -0.06 -4.22 -0.01 0.00 -1.58 0.00 0.00 42.46 36.59 1dws s ILE 99 CO 0.77 -0.68 1.24 -2.16 -1.23 0.00 0.00 174.94 172.89 1dws s PRO 100 N 2.45 2.64 0.62 2.79 0.04 -1.26 -4.69 135.00 137.59 1dws s PRO 100 Ca 0.14 1.92 0.32 0.00 0.04 0.00 0.00 61.00 63.42 1dws s PRO 100 Cb -0.19 -1.88 1.80 0.00 0.04 0.00 0.00 34.50 34.28 1dws s PRO 100 CO 0.13 -1.49 2.12 0.97 0.04 0.00 0.00 177.00 178.76 1dws h ILE 101 N 0.53 0.28 -0.95 0.56 6.09 -1.94 -0.96 117.51 121.12 1dws h ILE 101 Ca -0.50 0.00 0.01 0.00 -1.37 0.00 0.00 64.86 62.99 1dws h ILE 101 Cb 1.31 0.83 -0.05 0.00 0.47 0.00 0.00 36.82 39.39 1dws h ILE 101 CO 0.53 0.00 0.61 0.50 -3.07 0.00 0.00 178.15 176.72 1dws h LYS 102 N 0.00 1.26 -0.12 2.19 1.63 -2.00 -1.99 116.57 117.54 1dws h LYS 102 Ca 0.05 -0.09 -0.09 0.00 -0.85 0.00 0.00 60.65 59.68 1dws h LYS 102 Cb 0.44 -0.28 -0.01 0.00 -0.60 0.00 0.00 32.23 31.78 1dws h LYS 102 CO -0.00 0.85 -0.34 1.88 -3.45 0.00 0.00 179.45 178.39 1dws h TYR 103 N 1.29 0.26 0.00 1.91 -1.99 -1.52 -1.40 116.97 115.53 1dws h TYR 103 Ca 0.34 -0.06 -0.06 0.00 2.00 0.00 0.00 58.73 60.96 1dws h TYR 103 Cb -0.12 -0.06 -0.01 0.00 2.00 0.00 0.00 36.73 38.54 1dws h TYR 103 CO -0.00 0.55 -0.27 -0.07 -0.00 0.00 0.00 178.16 178.36 1dws h LEU 104 N 0.20 0.00 -0.11 3.88 -0.00 -1.41 -0.80 115.31 117.07 1dws h LEU 104 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.80 1dws h LEU 104 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.37 1dws h LEU 104 CO 0.05 0.27 -0.33 -0.08 -0.00 0.00 0.00 178.44 178.36 1dws h GLU 105 N 0.00 0.42 -0.13 1.13 4.81 -0.82 -2.48 114.58 117.52 1dws h GLU 105 Ca -0.00 -0.30 0.03 0.00 -0.13 0.00 0.00 59.36 58.96 1dws h GLU 105 Cb 0.62 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 1dws h GLU 105 CO 0.04 0.92 -0.07 0.74 -0.73 0.00 0.00 179.01 179.91 1dws h PHE 106 N -0.01 -0.16 -0.17 0.92 0.04 -0.77 -1.95 116.94 114.84 1dws h PHE 106 Ca -0.01 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 1dws h PHE 106 Cb 0.95 0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 1dws h PHE 106 CO 0.11 -0.11 -0.11 0.97 -0.60 0.00 0.00 178.31 178.57 1dws h ILE 107 N -0.06 1.17 -0.29 -0.55 2.10 -1.20 0.00 117.51 118.69 1dws h ILE 107 Ca 0.07 -0.75 -0.03 0.00 1.08 0.00 0.00 64.86 65.23 1dws h ILE 107 Cb 0.17 1.17 -0.01 0.00 -1.09 0.00 0.00 36.82 37.06 1dws h ILE 107 CO -0.17 0.24 0.06 0.28 -1.08 0.00 0.00 178.15 177.48 1dws h SER 108 N 0.25 0.45 0.01 2.19 0.02 -0.98 -0.86 113.55 114.63 1dws h SER 108 Ca 0.05 -0.24 -0.09 0.00 -0.84 0.00 0.00 61.79 60.67 1dws h SER 108 Cb 0.35 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1dws h SER 108 CO 0.02 0.57 -0.27 0.44 -1.14 0.00 0.00 176.83 176.45 1dws h ASP 109 N 0.30 0.40 -0.13 3.07 3.32 -0.98 -2.54 116.42 119.87 1dws h ASP 109 Ca 0.09 -0.14 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1dws h ASP 109 Cb 0.30 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1dws h ASP 109 CO 0.00 0.67 -0.10 0.00 -1.72 0.00 0.00 179.24 178.09 1dws h ALA 110 N 1.36 1.31 -0.42 3.45 0.00 -0.61 0.02 119.26 124.38 1dws h ALA 110 Ca 0.05 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1dws h ALA 110 Cb 0.66 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1dws h ALA 110 CO 0.05 0.46 -0.16 0.82 0.00 0.00 0.00 179.25 180.42 1dws h ILE 111 N 0.43 1.28 -0.55 0.00 2.04 -0.76 -0.85 117.51 119.10 1dws h ILE 111 Ca 0.08 -1.28 -0.09 0.00 1.00 0.00 0.00 64.86 64.57 1dws h ILE 111 Cb 0.44 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1dws h ILE 111 CO 0.02 0.43 -0.02 0.40 0.00 0.00 0.00 178.15 178.99 1dws h ILE 112 N 0.66 1.26 -0.04 -0.67 1.08 -1.13 -1.72 117.51 116.94 1dws h ILE 112 Ca 0.10 -1.12 -0.00 0.00 -0.39 0.00 0.00 64.86 63.45 1dws h ILE 112 Cb 0.71 0.86 -0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1dws h ILE 112 CO 0.05 0.40 0.02 -0.74 -0.69 0.00 0.00 178.15 177.19 1dws h HIS 113 N 0.87 0.06 -0.79 1.37 2.76 -0.81 -2.84 115.15 115.78 1dws h HIS 113 Ca 0.16 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 1dws h HIS 113 Cb 0.54 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 29.44 1dws h HIS 113 CO 0.03 0.21 0.43 0.28 -1.30 0.00 0.00 177.93 177.58 1dws h VAL 114 N -0.10 1.23 -0.74 5.26 2.07 -1.01 -0.91 116.25 122.05 1dws h VAL 114 Ca 0.01 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 1dws h VAL 114 Cb 0.17 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 1dws h VAL 114 CO -0.00 0.26 0.34 -0.07 0.02 0.00 0.00 177.57 178.12 1dws h LEU 115 N 1.10 0.99 -0.37 2.57 3.38 -1.24 0.97 115.31 122.70 1dws h LEU 115 Ca 0.28 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.93 1dws h LEU 115 Cb 0.03 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 1dws h LEU 115 CO -0.04 0.86 -0.47 0.45 0.09 0.00 0.00 178.44 179.32 1dws h HIS 116 N 1.05 1.08 -0.41 1.13 3.86 -1.25 -0.52 115.15 120.08 1dws h HIS 116 Ca 0.25 -0.36 -0.06 0.00 -1.16 0.00 0.00 60.37 59.05 1dws h HIS 116 Cb 0.15 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 1dws h HIS 116 CO 0.01 1.18 0.03 1.03 0.86 0.00 0.00 177.93 181.04 1dws h SER 117 N 0.70 0.69 1.52 2.45 0.87 -0.84 -1.65 113.55 117.29 1dws h SER 117 Ca 0.04 -0.29 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 1dws h SER 117 Cb 1.07 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1dws h SER 117 CO 0.11 0.80 -0.35 0.11 -0.53 0.00 0.00 176.83 176.97 1dws h LYS 118 N 0.55 0.00 -1.68 2.24 1.57 -0.84 -3.38 116.57 115.03 1dws h LYS 118 Ca 0.12 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 58.43 1dws h LYS 118 Cb 0.43 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.34 1dws h LYS 118 CO 0.02 0.00 -1.09 0.72 -0.57 0.00 0.00 179.45 178.53 1dws n HIS 119 N -2.76 1.28 -1.70 -1.35 8.25 -0.21 -5.08 115.22 113.66 1dws n HIS 119 Ca 0.03 -3.45 -0.43 0.00 -0.26 0.00 0.00 57.72 53.61 1dws n HIS 119 Cb 0.51 -0.39 -0.03 0.00 1.12 0.00 0.00 29.99 31.20 1dws n HIS 119 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1dws n PRO 120 N 0.04 2.67 -0.98 -0.41 -0.04 -0.63 -1.08 135.00 134.57 1dws n PRO 120 Ca 0.22 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.65 1dws n PRO 120 Cb 0.68 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1dws n PRO 120 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dws n GLY 121 N 4.03 1.00 0.28 0.55 0.00 -1.26 -4.84 105.19 104.95 1dws n GLY 121 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 1dws n GLY 121 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dws n ASP 122 N 0.00 1.86 -3.43 1.61 2.03 -0.24 -4.80 116.55 113.58 1dws n ASP 122 Ca 0.00 -3.05 -0.26 0.00 0.52 0.00 0.00 54.79 51.99 1dws n ASP 122 Cb 0.00 -0.41 -0.09 0.00 -0.72 0.00 0.00 41.12 39.89 1dws n ASP 122 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1dws n PHE 123 N -1.11 0.24 -0.63 -0.67 7.35 -1.21 -5.01 117.46 116.41 1dws n PHE 123 Ca 0.14 -3.60 -0.31 0.00 -0.76 0.00 0.00 57.45 52.92 1dws n PHE 123 Cb 0.68 -0.09 0.19 0.00 0.35 0.00 0.00 39.48 40.60 1dws n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1dws n GLY 124 N 2.19 -1.89 0.25 7.13 0.00 -1.26 -4.62 105.19 106.99 1dws n GLY 124 Ca 0.26 -0.89 -0.02 0.00 0.00 0.00 0.00 46.02 45.37 1dws n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dws h ALA 125 N -2.14 0.85 -0.18 4.61 0.00 -2.00 0.44 119.26 120.85 1dws h ALA 125 Ca -0.52 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 1dws h ALA 125 Cb 1.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1dws h ALA 125 CO 0.41 -0.01 -0.29 0.38 0.00 0.00 0.00 179.25 179.74 1dws h ASP 126 N 0.62 0.34 -0.20 0.00 3.04 -1.99 -1.85 116.42 116.38 1dws h ASP 126 Ca 0.29 -0.12 -0.07 0.00 -3.24 0.00 0.00 57.03 53.90 1dws h ASP 126 Cb 0.22 -0.09 -0.00 0.00 -1.04 0.00 0.00 39.33 38.41 1dws h ASP 126 CO -0.20 0.63 -0.13 0.00 -2.04 0.00 0.00 179.24 177.50 1dws h ALA 127 N 1.40 0.29 -0.73 4.15 0.00 -1.67 -1.45 119.26 121.24 1dws h ALA 127 Ca 0.04 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1dws h ALA 127 Cb 0.67 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1dws h ALA 127 CO 0.05 0.16 0.29 0.37 0.00 0.00 0.00 179.25 180.12 1dws h GLN 128 N 0.13 1.08 -0.10 0.00 4.15 -0.86 -1.42 115.11 118.09 1dws h GLN 128 Ca 0.04 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 59.27 1dws h GLN 128 Cb 0.64 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 1dws h GLN 128 CO 0.04 0.88 0.06 0.78 -1.93 0.00 0.00 178.83 178.65 1dws h GLY 129 N 1.11 0.15 0.97 2.39 0.00 -1.16 -0.71 103.07 105.82 1dws h GLY 129 Ca 0.25 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.44 1dws h GLY 129 CO -0.02 0.07 -0.00 0.00 0.00 0.00 0.00 176.54 176.58 1dws h ALA 130 N 0.96 0.58 -0.49 3.60 0.00 -1.11 -2.18 119.26 120.62 1dws h ALA 130 Ca 0.04 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1dws h ALA 130 Cb 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1dws h ALA 130 CO -0.01 0.37 0.07 1.98 0.00 0.00 0.00 179.25 181.66 1dws h MET 131 N 0.60 0.76 -0.19 0.00 -1.53 -1.19 -1.78 114.93 111.60 1dws h MET 131 Ca 0.12 -0.17 -0.02 0.00 -3.44 0.00 0.00 59.70 56.19 1dws h MET 131 Cb 0.49 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.43 1dws h MET 131 CO 0.02 0.73 0.05 1.15 0.14 0.00 0.00 176.91 179.00 1dws h THR 132 N 0.73 1.20 -0.89 -0.77 2.02 -0.98 -1.35 112.91 112.86 1dws h THR 132 Ca 0.15 -0.64 0.05 0.00 0.77 0.00 0.00 66.41 66.75 1dws h THR 132 Cb 0.35 1.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 1dws h THR 132 CO 0.01 0.20 0.56 0.11 0.37 0.00 0.00 175.52 176.77 1dws h LYS 133 N 0.13 1.02 -0.46 6.66 1.57 -1.14 -0.07 116.57 124.28 1dws h LYS 133 Ca 0.06 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1dws h LYS 133 Cb 0.26 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1dws h LYS 133 CO -0.00 0.67 0.16 0.00 -0.57 0.00 0.00 179.45 179.72 1dws h ALA 134 N 1.40 0.61 0.00 3.86 0.00 -1.05 -0.61 119.26 123.47 1dws h ALA 134 Ca 0.38 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1dws h ALA 134 Cb 0.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1dws h ALA 134 CO -0.15 0.24 -0.39 -0.07 0.00 0.00 0.00 179.25 178.88 1dws h LEU 135 N 0.61 0.00 -0.18 0.00 3.38 -0.62 -1.41 115.31 117.09 1dws h LEU 135 Ca 0.15 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.90 1dws h LEU 135 Cb 0.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1dws h LEU 135 CO -0.01 0.39 -0.87 -0.33 0.09 0.00 0.00 178.44 177.71 1dws h GLU 136 N 0.00 0.60 -0.49 1.13 5.08 -0.68 -0.81 114.58 119.40 1dws h GLU 136 Ca -0.00 -0.56 -0.05 0.00 -1.00 0.00 0.00 59.36 57.74 1dws h GLU 136 Cb 0.71 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1dws h GLU 136 CO 0.05 1.18 0.10 1.25 -1.00 0.00 0.00 179.01 180.59 1dws h LEU 137 N 0.38 0.77 -0.07 1.33 5.85 -0.81 0.37 115.31 123.12 1dws h LEU 137 Ca -0.07 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 1dws h LEU 137 Cb 1.50 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 1dws h LEU 137 CO 0.16 0.81 0.04 0.15 -0.34 0.00 0.00 178.44 179.27 1dws h PHE 138 N 0.68 0.10 -0.57 1.25 3.57 -1.25 -1.47 116.94 119.26 1dws h PHE 138 Ca 0.15 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1dws h PHE 138 Cb 0.36 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1dws h PHE 138 CO 0.02 0.14 0.18 -0.09 -2.23 0.00 0.00 178.31 176.33 1dws h ARG 139 N 0.03 0.88 -0.44 1.11 2.43 -0.95 -2.54 114.38 114.90 1dws h ARG 139 Ca 0.03 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 58.93 1dws h ARG 139 Cb 0.07 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1dws h ARG 139 CO -0.00 0.79 -0.06 -0.97 -1.51 0.00 0.00 179.97 178.21 1dws h ASN 140 N 0.79 0.73 0.66 -3.80 -1.24 -0.10 -0.34 115.58 112.28 1dws h ASN 140 Ca 0.18 -0.20 -0.14 0.00 0.71 0.00 0.00 56.30 56.86 1dws h ASN 140 Cb 0.27 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 1dws h ASN 140 CO -0.01 0.84 -0.65 0.44 -1.29 0.00 0.00 177.43 176.77 1dws h ASP 141 N 0.70 0.00 -0.20 1.15 3.32 -1.16 -2.15 116.42 118.08 1dws h ASP 141 Ca 0.13 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.01 1dws h ASP 141 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1dws h ASP 141 CO 0.03 0.65 -0.52 0.40 -1.72 0.00 0.00 179.24 178.07 1dws h ILE 142 N 0.00 1.31 -0.77 0.35 2.04 -1.09 -2.90 117.51 116.45 1dws h ILE 142 Ca -0.01 -1.75 0.06 0.00 1.00 0.00 0.00 64.86 64.16 1dws h ILE 142 Cb 1.15 1.87 -0.05 0.00 -0.74 0.00 0.00 36.82 39.06 1dws h ILE 142 CO 0.08 0.55 0.50 0.00 0.00 0.00 0.00 178.15 179.29 1dws h ALA 143 N 0.59 1.62 -0.47 1.87 0.00 -0.87 -0.17 119.26 121.84 1dws h ALA 143 Ca -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1dws h ALA 143 Cb 1.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1dws h ALA 143 CO 0.11 0.27 0.22 0.00 0.00 0.00 0.00 179.25 179.86 1dws h ALA 144 N 1.57 0.60 -0.18 0.00 0.00 -1.25 -1.06 119.26 118.94 1dws h ALA 144 Ca 0.32 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1dws h ALA 144 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1dws h ALA 144 CO -0.11 0.16 -0.20 0.87 0.00 0.00 0.00 179.25 179.97 1dws h LYS 145 N 0.61 0.31 -0.46 0.00 1.79 -1.01 -1.95 116.57 115.87 1dws h LYS 145 Ca 0.16 -0.10 -0.08 0.00 -2.18 0.00 0.00 60.65 58.46 1dws h LYS 145 Cb 0.12 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 1dws h LYS 145 CO -0.02 0.51 -0.01 1.88 -1.08 0.00 0.00 179.45 180.73 1dws h TYR 146 N 0.29 0.89 -0.70 -1.35 -1.99 -0.49 -2.34 116.97 111.28 1dws h TYR 146 Ca 0.05 -0.16 -0.05 0.00 2.00 0.00 0.00 58.73 60.57 1dws h TYR 146 Cb 0.53 -0.23 -0.03 0.00 2.00 0.00 0.00 36.73 38.99 1dws h TYR 146 CO 0.01 0.86 0.24 -0.22 -0.00 0.00 0.00 178.16 179.05 1dws h LYS 147 N 0.66 1.06 -0.47 4.88 3.64 -0.86 0.87 116.57 126.35 1dws h LYS 147 Ca 0.13 -0.21 0.07 0.00 -1.27 0.00 0.00 60.65 59.37 1dws h LYS 147 Cb 0.51 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.11 1dws h LYS 147 CO 0.03 0.89 0.15 1.49 -2.27 0.00 0.00 179.45 179.74 1dws h GLU 148 N 1.02 0.30 -0.00 1.90 4.81 -1.14 -1.71 114.58 119.77 1dws h GLU 148 Ca 0.23 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1dws h GLU 148 Cb 0.26 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1dws h GLU 148 CO -0.01 0.20 -0.10 1.28 -0.73 0.00 0.00 179.01 179.65 1dws n LEU 149 N -5.03 0.16 -0.95 1.64 4.77 -0.90 -4.91 117.00 111.78 1dws n LEU 149 Ca 0.04 0.29 -0.11 0.00 -0.03 0.00 0.00 56.01 56.21 1dws n LEU 149 Cb 0.20 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1dws n LEU 149 CO 0.24 0.04 -0.11 0.61 -1.33 0.00 0.00 177.39 176.83 1dws n GLY 150 N 1.42 0.82 3.74 -0.72 0.00 0.16 -4.98 105.19 105.63 1dws n GLY 150 Ca 0.09 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 1dws n GLY 150 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1dws s PHE 151 N -2.44 3.72 0.00 1.61 5.36 -0.38 -5.01 117.98 120.84 1dws s PHE 151 Ca 0.00 1.49 0.00 0.00 -0.96 0.00 0.00 56.93 57.46 1dws s PHE 151 Cb 0.00 -2.85 0.00 0.00 -0.34 0.00 0.00 43.02 39.83 1dws s PHE 151 CO 0.00 0.23 0.38 1.04 -1.46 0.00 0.00 175.22 175.41