#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1duk s LEU 2 N 0.00 3.73 0.61 1.34 1.02 -1.26 -5.09 118.68 119.03 1duk s LEU 2 Ca 0.00 1.70 -0.10 0.00 0.02 0.00 0.00 54.13 55.75 1duk s LEU 2 Cb 0.00 -4.53 -0.03 0.00 0.02 0.00 0.00 46.19 41.65 1duk s LEU 2 CO 0.00 -0.64 1.00 -0.94 0.02 0.00 0.00 176.35 175.79 1duk s SER 3 N -2.59 6.05 0.22 2.29 1.04 -1.26 -4.92 113.70 114.53 1duk s SER 3 Ca 0.62 1.25 -0.09 0.00 0.48 0.00 0.00 55.95 58.22 1duk s SER 3 Cb -0.12 -2.29 0.34 0.00 0.10 0.00 0.00 66.02 64.05 1duk s SER 3 CO 0.25 -0.93 1.70 -0.08 0.98 0.00 0.00 173.24 175.16 1duk h GLU 4 N -0.30 0.27 -0.37 4.02 4.57 -2.00 0.63 114.58 121.40 1duk h GLU 4 Ca -0.45 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 57.69 1duk h GLU 4 Cb 1.21 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 1duk h GLU 4 CO 0.62 0.18 0.10 0.78 -1.18 0.00 0.00 179.01 179.51 1duk h GLY 5 N 0.28 0.58 1.85 1.92 0.00 -2.00 -2.05 103.07 103.65 1duk h GLY 5 Ca 0.34 -0.30 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 1duk h GLY 5 CO -0.42 0.28 -0.40 0.83 0.00 0.00 0.00 176.54 176.83 1duk h GLU 6 N 0.53 0.17 -0.13 4.80 5.08 -1.26 -1.88 114.58 121.90 1duk h GLU 6 Ca 0.13 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1duk h GLU 6 Cb 0.19 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1duk h GLU 6 CO -0.01 0.55 0.08 -1.49 -1.00 0.00 0.00 179.01 177.14 1duk h TRP 7 N 0.15 0.18 -0.68 4.33 4.06 -0.71 -1.04 115.95 122.25 1duk h TRP 7 Ca 0.01 -0.00 0.03 0.00 2.06 0.00 0.00 58.89 60.99 1duk h TRP 7 Cb 0.78 -0.06 -0.04 0.00 -1.00 0.00 0.00 29.16 28.83 1duk h TRP 7 CO 0.01 0.18 0.42 1.96 -3.56 0.00 0.00 178.44 177.45 1duk h GLN 8 N 0.13 0.78 -0.37 0.49 4.20 -1.27 0.50 115.11 119.57 1duk h GLN 8 Ca 0.05 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1duk h GLN 8 Cb 0.06 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1duk h GLN 8 CO -0.01 0.52 0.14 -0.07 -0.67 0.00 0.00 178.83 178.74 1duk h LEU 9 N 0.81 0.47 -0.27 1.46 3.38 -1.00 0.54 115.31 120.69 1duk h LEU 9 Ca 0.28 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.09 1duk h LEU 9 Cb 0.04 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1duk h LEU 9 CO -0.12 0.43 -0.25 0.58 0.09 0.00 0.00 178.44 179.18 1duk h VAL 10 N 0.52 1.31 0.00 1.22 2.07 0.57 -2.24 116.25 119.69 1duk h VAL 10 Ca 0.13 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.22 1duk h VAL 10 Cb 0.11 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1duk h VAL 10 CO -0.01 0.45 -0.13 -0.07 0.02 0.00 0.00 177.57 177.83 1duk h LEU 11 N 0.38 0.00 -0.71 2.57 3.38 0.14 -1.26 115.31 119.81 1duk h LEU 11 Ca 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 1duk h LEU 11 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1duk h LEU 11 CO 0.06 0.13 -0.53 -0.74 0.09 0.00 0.00 178.44 177.45 1duk h HIS 12 N 0.00 0.39 0.13 1.13 2.76 0.40 -2.88 115.15 117.07 1duk h HIS 12 Ca -0.00 -0.13 -0.26 0.00 -2.20 0.00 0.00 60.37 57.77 1duk h HIS 12 Cb 1.05 -0.07 0.03 0.00 1.55 0.00 0.00 27.41 29.96 1duk h HIS 12 CO 0.00 0.78 -1.10 0.28 -1.30 0.00 0.00 177.93 176.58 1duk h VAL 13 N 0.24 1.35 -0.86 5.26 2.07 -1.08 -3.30 116.25 119.94 1duk h VAL 13 Ca 0.01 -2.45 0.22 0.00 0.82 0.00 0.00 66.70 65.29 1duk h VAL 13 Cb 1.01 2.83 -0.14 0.00 -1.52 0.00 0.00 31.29 33.48 1duk h VAL 13 CO 0.09 0.73 0.24 -0.25 0.02 0.00 0.00 177.57 178.39 1duk h TRP 14 N 0.08 0.36 -1.06 1.57 2.91 -1.19 0.53 115.95 119.15 1duk h TRP 14 Ca -0.17 0.05 0.28 0.00 1.13 0.00 0.00 58.89 60.18 1duk h TRP 14 Cb 1.82 -0.02 -0.10 0.00 -0.51 0.00 0.00 29.16 30.34 1duk h TRP 14 CO 0.14 -0.18 0.67 0.00 -1.03 0.00 0.00 178.44 178.05 1duk h ALA 15 N 1.75 2.22 -0.14 2.65 0.00 -1.58 -0.33 119.26 123.83 1duk h ALA 15 Ca 0.53 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.44 1duk h ALA 15 Cb 1.04 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1duk h ALA 15 CO -0.62 -0.66 -0.24 0.87 0.00 0.00 0.00 179.25 178.59 1duk h LYS 16 N 0.38 0.41 -0.63 0.00 1.79 -0.08 -3.11 116.57 115.33 1duk h LYS 16 Ca 0.63 -0.25 0.13 0.00 -2.18 0.00 0.00 60.65 58.97 1duk h LYS 16 Cb 1.59 0.03 -0.10 0.00 -1.58 0.00 0.00 32.23 32.17 1duk h LYS 16 CO -0.34 0.85 0.11 0.28 -1.08 0.00 0.00 179.45 179.26 1duk h VAL 17 N 0.01 0.57 0.00 0.50 2.07 -0.82 -1.92 116.25 116.66 1duk h VAL 17 Ca 0.01 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1duk h VAL 17 Cb 0.83 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1duk h VAL 17 CO 0.06 0.04 0.00 -0.33 0.02 0.00 0.00 177.57 177.36 1duk h GLU 18 N 0.22 0.00 0.00 1.57 5.08 -1.14 0.11 114.58 120.43 1duk h GLU 18 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1duk h GLU 18 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1duk h GLU 18 CO -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 177.55 1duk n ALA 19 N -2.03 1.96 -2.75 3.43 0.00 -0.72 -4.26 120.51 116.15 1duk n ALA 19 Ca -0.02 0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.38 1duk n ALA 19 Cb 0.14 -1.43 0.05 0.00 0.00 0.00 0.00 19.45 18.21 1duk n ALA 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1duk n ASP 20 N -2.27 -2.85 -0.20 0.00 4.64 0.34 -5.02 116.55 111.19 1duk n ASP 20 Ca 0.04 -3.33 -0.03 0.00 -1.38 0.00 0.00 54.79 50.09 1duk n ASP 20 Cb 0.33 1.84 0.08 0.00 -1.04 0.00 0.00 41.12 42.32 1duk n ASP 20 CO 0.00 0.00 0.00 0.58 -0.82 0.00 0.00 177.20 176.96 1duk h VAL 21 N 2.98 0.96 -0.42 5.18 2.07 -1.61 -0.91 116.25 124.50 1duk h VAL 21 Ca -0.15 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 1duk h VAL 21 Cb 1.04 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 1duk h VAL 21 CO 0.31 0.11 0.01 0.00 0.02 0.00 0.00 177.57 178.02 1duk h ALA 22 N 1.32 0.57 -0.38 1.67 0.00 -1.89 0.13 119.26 120.67 1duk h ALA 22 Ca 0.26 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1duk h ALA 22 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1duk h ALA 22 CO -0.17 0.34 -0.07 0.78 0.00 0.00 0.00 179.25 180.13 1duk h GLY 23 N 0.57 0.78 0.97 0.00 0.00 -1.86 -1.78 103.07 101.76 1duk h GLY 23 Ca 0.12 -0.63 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 1duk h GLY 23 CO 0.02 0.58 0.12 0.45 0.00 0.00 0.00 176.54 177.71 1duk h HIS 24 N 0.53 0.81 -0.40 5.60 3.86 -1.08 -2.78 115.15 121.68 1duk h HIS 24 Ca 0.10 -0.09 0.08 0.00 -1.16 0.00 0.00 60.37 59.30 1duk h HIS 24 Cb 0.58 -0.23 -0.08 0.00 1.06 0.00 0.00 27.41 28.74 1duk h HIS 24 CO 0.05 0.72 -0.16 0.78 0.86 0.00 0.00 177.93 180.18 1duk h GLY 25 N 0.66 0.18 0.96 2.45 0.00 -0.57 0.20 103.07 106.96 1duk h GLY 25 Ca 0.15 0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 1duk h GLY 25 CO 0.00 -0.18 0.16 1.46 0.00 0.00 0.00 176.54 177.98 1duk h GLN 26 N -0.07 0.72 -0.83 4.80 4.20 -1.28 -1.26 115.11 121.39 1duk h GLN 26 Ca 0.20 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1duk h GLN 26 Cb 0.38 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1duk h GLN 26 CO -0.46 0.67 0.48 -0.44 -0.67 0.00 0.00 178.83 178.42 1duk h ASP 27 N 0.63 1.01 -0.09 1.46 5.19 -0.91 0.87 116.42 124.58 1duk h ASP 27 Ca 0.15 -0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 1duk h ASP 27 Cb 0.24 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.49 1duk h ASP 27 CO -0.01 0.79 0.05 0.40 -3.12 0.00 0.00 179.24 177.34 1duk h ILE 28 N 1.15 1.09 -0.28 0.35 2.04 -0.38 -0.19 117.51 121.30 1duk h ILE 28 Ca 0.30 -0.27 -0.17 0.00 1.00 0.00 0.00 64.86 65.72 1duk h ILE 28 Cb -0.02 1.11 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 1duk h ILE 28 CO -0.05 0.08 -0.51 -0.07 0.00 0.00 0.00 178.15 177.60 1duk h LEU 29 N 0.04 0.86 -1.20 1.44 3.38 -1.07 -2.92 115.31 115.85 1duk h LEU 29 Ca 0.03 -0.44 -0.08 0.00 0.09 0.00 0.00 57.88 57.48 1duk h LEU 29 Cb 0.09 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1duk h LEU 29 CO -0.00 1.21 -0.33 0.40 0.09 0.00 0.00 178.44 179.81 1duk h ILE 30 N 0.61 1.26 -0.24 1.22 2.04 -0.57 -2.03 117.51 119.80 1duk h ILE 30 Ca 0.02 -1.23 -0.09 0.00 1.00 0.00 0.00 64.86 64.56 1duk h ILE 30 Cb 1.09 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1duk h ILE 30 CO 0.11 0.36 -0.20 -0.09 0.00 0.00 0.00 178.15 178.34 1duk h ARG 31 N 0.11 0.55 0.22 2.37 9.65 -0.91 -2.49 114.38 123.88 1duk h ARG 31 Ca 0.01 -0.28 0.01 0.00 -1.10 0.00 0.00 59.98 58.63 1duk h ARG 31 Cb 0.64 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.18 1duk h ARG 31 CO 0.05 0.86 -0.42 1.25 2.80 0.00 0.00 179.97 184.50 1duk h LEU 32 N 0.25 -1.22 -2.24 3.80 5.85 -1.33 0.69 115.31 121.12 1duk h LEU 32 Ca 0.04 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1duk h LEU 32 Cb 0.74 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1duk h LEU 32 CO 0.05 -0.52 0.13 -0.26 -0.34 0.00 0.00 178.44 177.50 1duk h PHE 33 N -0.73 0.00 0.16 1.25 0.04 -1.39 -1.44 116.94 114.83 1duk h PHE 33 Ca -0.00 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.47 1duk h PHE 33 Cb 0.71 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.87 1duk h PHE 33 CO -0.32 0.00 -1.50 0.87 -0.60 0.00 0.00 178.31 176.76 1duk h LYS 34 N 0.00 0.33 0.00 1.51 1.57 -0.83 -2.78 116.57 116.36 1duk h LYS 34 Ca 0.06 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1duk h LYS 34 Cb 0.33 0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1duk h LYS 34 CO -0.00 1.27 -0.25 -1.13 -0.57 0.00 0.00 179.45 178.77 1duk n SER 35 N -3.80 0.61 -2.80 0.86 3.41 0.23 -4.57 113.62 107.57 1duk n SER 35 Ca -0.23 0.33 -0.10 0.00 -0.26 0.00 0.00 58.87 58.61 1duk n SER 35 Cb 0.98 -0.34 0.04 0.00 -0.26 0.00 0.00 64.21 64.63 1duk n SER 35 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1duk n HIS 36 N -2.00 -3.03 -0.57 7.33 8.25 -0.57 -5.03 115.22 119.60 1duk n HIS 36 Ca 0.05 -1.95 0.46 0.00 -0.26 0.00 0.00 57.72 56.02 1duk n HIS 36 Cb 0.41 1.37 0.78 0.00 1.12 0.00 0.00 29.99 33.66 1duk n HIS 36 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1duk h PRO 37 N 3.98 0.02 -0.59 -0.41 0.13 -1.66 -0.96 132.00 132.49 1duk h PRO 37 Ca -0.13 -0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.06 1duk h PRO 37 Cb 1.02 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.11 1duk h PRO 37 CO 0.34 0.01 0.39 1.05 -0.23 0.00 0.00 178.00 179.56 1duk h GLU 38 N 0.02 0.59 0.00 0.86 9.09 -1.92 0.43 114.58 123.64 1duk h GLU 38 Ca 0.83 -0.04 -0.02 0.00 0.05 0.00 0.00 59.36 60.19 1duk h GLU 38 Cb 3.20 -0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 30.17 1duk h GLU 38 CO -0.08 0.39 -0.07 1.79 0.05 0.00 0.00 179.01 181.09 1duk h THR 39 N 0.61 0.52 -0.80 -1.06 1.35 -1.52 -2.86 112.91 109.14 1duk h THR 39 Ca 0.25 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1duk h THR 39 Cb 0.22 1.22 -0.04 0.00 -1.73 0.00 0.00 68.15 67.83 1duk h THR 39 CO -0.07 0.07 0.52 0.25 -0.25 0.00 0.00 175.52 176.04 1duk h LEU 40 N 0.00 0.92 -2.13 3.87 5.85 -0.27 -2.50 115.31 121.06 1duk h LEU 40 Ca -0.00 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.75 1duk h LEU 40 Cb 0.22 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1duk h LEU 40 CO 0.01 0.68 0.31 -0.33 -0.34 0.00 0.00 178.44 178.76 1duk h GLU 41 N 1.08 0.00 0.00 1.25 4.39 -1.61 -0.96 114.58 118.73 1duk h GLU 41 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1duk h GLU 41 Cb -0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1duk h GLU 41 CO -0.06 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.42 1duk n LYS 42 N -3.56 0.21 -3.80 2.33 4.76 -0.94 -4.30 118.16 112.86 1duk n LYS 42 Ca 0.03 0.12 -0.34 0.00 -2.87 0.00 0.00 58.31 55.25 1duk n LYS 42 Cb 0.43 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.01 1duk n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1duk s PHE 43 N -2.67 3.39 0.42 2.13 0.08 -0.37 -4.90 117.98 116.06 1duk s PHE 43 Ca 0.16 -2.96 0.19 0.00 0.12 0.00 0.00 56.93 54.45 1duk s PHE 43 Cb 0.13 -3.04 1.13 0.00 -0.57 0.00 0.00 43.02 40.67 1duk s PHE 43 CO 0.31 -0.77 1.81 -0.44 -0.10 0.00 0.00 175.22 176.03 1duk h ASP 44 N 6.59 0.39 1.34 1.36 5.19 -1.83 0.29 116.42 129.75 1duk h ASP 44 Ca -0.00 0.06 -0.09 0.00 -0.62 0.00 0.00 57.03 56.38 1duk h ASP 44 Cb 0.90 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.39 1duk h ASP 44 CO 0.72 0.11 -0.69 0.08 -3.12 0.00 0.00 179.24 176.34 1duk h ARG 45 N 0.37 0.00 0.00 3.56 -0.00 -1.94 -3.36 114.38 113.01 1duk h ARG 45 Ca 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.52 1duk h ARG 45 Cb 1.42 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.39 1duk h ARG 45 CO -0.22 0.30 -1.31 1.19 -0.00 0.00 0.00 179.97 179.93 1duk n PHE 46 N -3.06 0.00 -0.14 4.08 3.72 -0.78 -4.60 117.46 116.69 1duk n PHE 46 Ca -0.01 0.00 0.28 0.00 -0.05 0.00 0.00 57.45 57.67 1duk n PHE 46 Cb 0.70 -0.21 0.70 0.00 -0.94 0.00 0.00 39.48 39.73 1duk n PHE 46 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1duk h LYS 47 N 0.00 0.00 0.00 -1.08 2.10 -0.61 0.60 116.57 117.59 1duk h LYS 47 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1duk h LYS 47 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1duk h LYS 47 CO 0.00 0.00 0.00 -2.39 -2.00 0.00 0.00 179.45 175.06 1duk n HIS 48 N -3.87 0.00 -2.78 0.07 1.44 -1.26 -4.74 115.22 104.08 1duk n HIS 48 Ca 0.18 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.46 1duk n HIS 48 Cb 1.03 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 31.10 1duk n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1duk s LEU 49 N -1.78 4.13 0.30 2.39 1.43 0.20 -4.93 118.68 120.42 1duk s LEU 49 Ca 0.32 -0.97 0.25 0.00 -1.03 0.00 0.00 54.13 52.70 1duk s LEU 49 Cb 0.15 -2.46 0.65 0.00 0.03 0.00 0.00 46.19 44.56 1duk s LEU 49 CO 0.25 -1.51 1.72 0.11 0.23 0.00 0.00 176.35 177.15 1duk h LYS 50 N 9.62 0.00 -4.23 1.70 1.57 -1.88 -3.47 116.57 119.89 1duk h LYS 50 Ca -0.23 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.39 1duk h LYS 50 Cb 1.06 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.23 1duk h LYS 50 CO 1.21 0.00 -0.48 0.95 -0.57 0.00 0.00 179.45 180.56 1duk s THR 51 N -3.16 0.05 0.10 -0.16 -4.23 -1.26 -5.03 115.64 101.96 1duk s THR 51 Ca 0.09 -1.73 -0.24 0.00 -1.18 0.00 0.00 61.69 58.63 1duk s THR 51 Cb 0.09 -2.14 -0.11 0.00 1.34 0.00 0.00 72.50 71.69 1duk s THR 51 CO 0.62 -0.23 1.70 -0.08 -0.54 0.00 0.00 174.62 176.09 1duk h GLU 52 N 2.63 -0.19 -0.22 3.99 4.81 -1.98 0.56 114.58 124.18 1duk h GLU 52 Ca -0.33 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1duk h GLU 52 Cb 1.23 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 1duk h GLU 52 CO 0.51 -0.13 0.14 0.00 -0.73 0.00 0.00 179.01 178.81 1duk h ALA 53 N 0.74 0.28 -0.68 2.92 0.00 -1.97 0.66 119.26 121.20 1duk h ALA 53 Ca 0.02 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1duk h ALA 53 Cb 0.22 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1duk h ALA 53 CO -0.07 -0.24 0.45 0.93 0.00 0.00 0.00 179.25 180.33 1duk h GLU 54 N 0.28 0.86 -0.47 0.00 5.08 -1.70 0.20 114.58 118.83 1duk h GLU 54 Ca 0.08 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 1duk h GLU 54 Cb -0.01 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1duk h GLU 54 CO -0.02 0.57 -0.13 0.52 -1.00 0.00 0.00 179.01 178.95 1duk h MET 55 N 0.88 0.92 -0.75 2.33 2.86 0.20 -2.75 114.93 118.62 1duk h MET 55 Ca 0.26 -0.36 0.06 0.00 -2.06 0.00 0.00 59.70 57.60 1duk h MET 55 Cb -0.04 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.53 1duk h MET 55 CO -0.06 1.02 0.49 0.87 1.06 0.00 0.00 176.91 180.28 1duk h LYS 56 N 0.76 0.78 0.00 1.72 1.57 0.16 -2.44 116.57 119.12 1duk h LYS 56 Ca 0.12 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1duk h LYS 56 Cb 0.69 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1duk h LYS 56 CO 0.05 0.52 -0.35 0.00 -0.57 0.00 0.00 179.45 179.09 1duk h ALA 57 N 1.59 0.85 -2.44 3.86 0.00 -0.52 -3.47 119.26 119.13 1duk h ALA 57 Ca 0.32 -0.32 -0.53 0.00 0.00 0.00 0.00 54.91 54.37 1duk h ALA 57 Cb 0.23 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.98 1duk h ALA 57 CO -0.11 0.44 1.03 0.45 0.00 0.00 0.00 179.25 181.07 1duk s SER 58 N -6.35 6.58 0.09 0.00 0.15 -0.92 -4.91 113.70 108.34 1duk s SER 58 Ca 0.03 2.51 -0.15 0.00 0.70 0.00 0.00 55.95 59.03 1duk s SER 58 Cb 0.09 -2.56 -0.09 0.00 -1.71 0.00 0.00 66.02 61.74 1duk s SER 58 CO 0.70 -0.91 1.41 -0.08 1.20 0.00 0.00 173.24 175.55 1duk h GLU 59 N 8.56 0.67 0.01 5.44 4.81 -1.90 -2.97 114.58 129.20 1duk h GLU 59 Ca -0.43 -0.36 0.03 0.00 -0.13 0.00 0.00 59.36 58.47 1duk h GLU 59 Cb 1.20 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.56 1duk h GLU 59 CO 0.93 0.97 -0.19 -0.44 -0.73 0.00 0.00 179.01 179.55 1duk h ASP 60 N 0.40 -0.56 -0.71 1.04 3.45 -1.97 -0.42 116.42 117.66 1duk h ASP 60 Ca 0.04 0.08 0.04 0.00 0.43 0.00 0.00 57.03 57.62 1duk h ASP 60 Cb 0.85 0.23 -0.05 0.00 -0.56 0.00 0.00 39.33 39.80 1duk h ASP 60 CO 0.07 -0.26 0.43 0.25 -1.57 0.00 0.00 179.24 178.16 1duk h LEU 61 N -0.31 0.68 -0.91 1.55 7.12 -1.90 0.15 115.31 121.69 1duk h LEU 61 Ca 0.05 0.01 -0.06 0.00 0.13 0.00 0.00 57.88 58.01 1duk h LEU 61 Cb 0.38 -0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.35 1duk h LEU 61 CO -0.17 0.46 0.12 0.50 -0.13 0.00 0.00 178.44 179.22 1duk h LYS 62 N 0.82 0.93 -0.36 1.25 3.64 -1.24 0.11 116.57 121.71 1duk h LYS 62 Ca 0.30 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1duk h LYS 62 Cb 0.08 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1duk h LYS 62 CO -0.14 0.84 0.04 0.87 -2.27 0.00 0.00 179.45 178.80 1duk h LYS 63 N 0.88 0.62 -0.30 1.90 1.57 -0.68 -1.89 116.57 118.66 1duk h LYS 63 Ca 0.19 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1duk h LYS 63 Cb 0.35 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1duk h LYS 63 CO 0.00 0.70 0.17 1.25 -0.57 0.00 0.00 179.45 181.00 1duk h HIS 64 N 0.45 0.41 -0.69 -1.35 2.76 -0.36 -2.30 115.15 114.06 1duk h HIS 64 Ca 0.11 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.33 1duk h HIS 64 Cb 0.39 -0.13 -0.04 0.00 1.55 0.00 0.00 27.41 29.18 1duk h HIS 64 CO 0.03 0.33 0.46 0.78 -1.30 0.00 0.00 177.93 178.23 1duk h GLY 65 N 0.37 0.90 1.74 5.26 0.00 -0.49 -1.03 103.07 109.82 1duk h GLY 65 Ca 0.11 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 1duk h GLY 65 CO -0.02 0.21 -0.21 -2.08 0.00 0.00 0.00 176.54 174.45 1duk h VAL 66 N 0.70 1.23 -0.31 4.60 2.07 -0.91 -2.69 116.25 120.95 1duk h VAL 66 Ca 0.30 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 1duk h VAL 66 Cb 0.28 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1duk h VAL 66 CO -0.10 0.33 -0.04 0.74 0.02 0.00 0.00 177.57 178.52 1duk h THR 67 N 0.29 1.27 -0.09 2.57 2.02 -0.67 -1.31 112.91 116.99 1duk h THR 67 Ca 0.05 -1.04 -0.00 0.00 0.77 0.00 0.00 66.41 66.19 1duk h THR 67 Cb 0.53 1.33 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1duk h THR 67 CO 0.04 0.33 0.05 0.58 0.37 0.00 0.00 175.52 176.89 1duk h VAL 68 N 0.35 1.06 0.00 3.16 2.07 -1.29 -3.08 116.25 118.51 1duk h VAL 68 Ca 0.08 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1duk h VAL 68 Cb 0.50 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1duk h VAL 68 CO 0.02 0.05 -0.11 -0.07 0.02 0.00 0.00 177.57 177.48 1duk h LEU 69 N 0.08 0.00 -0.11 2.57 3.38 -1.42 -1.13 115.31 118.68 1duk h LEU 69 Ca 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1duk h LEU 69 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1duk h LEU 69 CO -0.01 0.11 -0.10 0.74 0.09 0.00 0.00 178.44 179.27 1duk h THR 70 N 0.00 1.36 0.35 0.22 2.02 -1.17 0.16 112.91 115.84 1duk h THR 70 Ca -0.00 -1.25 -0.02 0.00 0.77 0.00 0.00 66.41 65.91 1duk h THR 70 Cb 0.70 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.06 1duk h THR 70 CO 0.01 0.36 -0.17 0.00 0.37 0.00 0.00 175.52 176.10 1duk h ALA 71 N 0.59 -0.47 -0.48 6.16 0.00 -1.45 0.61 119.26 124.22 1duk h ALA 71 Ca 0.02 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.84 1duk h ALA 71 Cb 0.62 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 1duk h ALA 71 CO 0.03 -0.58 -0.21 1.25 0.00 0.00 0.00 179.25 179.73 1duk h LEU 72 N -0.83 -0.74 -1.44 0.00 5.85 -1.30 0.19 115.31 117.04 1duk h LEU 72 Ca -0.05 0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.91 1duk h LEU 72 Cb 0.53 0.40 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1duk h LEU 72 CO 0.08 -0.24 0.44 1.23 -0.34 0.00 0.00 178.44 179.61 1duk h GLY 73 N -0.11 0.86 1.16 3.75 0.00 -0.65 -1.99 103.07 106.08 1duk h GLY 73 Ca 0.23 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1duk h GLY 73 CO -0.55 0.21 0.20 0.00 0.00 0.00 0.00 176.54 176.40 1duk h ALA 74 N 1.63 1.07 -0.32 3.60 0.00 0.17 -2.16 119.26 123.26 1duk h ALA 74 Ca 0.29 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1duk h ALA 74 Cb 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1duk h ALA 74 CO -0.09 0.63 -0.06 0.82 0.00 0.00 0.00 179.25 180.54 1duk h ILE 75 N 1.01 1.28 -0.37 0.00 2.04 -0.87 -3.21 117.51 117.37 1duk h ILE 75 Ca 0.22 -1.10 -0.05 0.00 1.00 0.00 0.00 64.86 64.93 1duk h ILE 75 Cb 0.31 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 1duk h ILE 75 CO -0.01 0.36 0.02 -0.07 0.00 0.00 0.00 178.15 178.45 1duk h LEU 76 N 0.40 0.55 0.00 1.44 3.38 -1.15 -0.83 115.31 119.10 1duk h LEU 76 Ca 0.08 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1duk h LEU 76 Cb 0.55 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1duk h LEU 76 CO 0.03 0.60 0.00 0.29 0.09 0.00 0.00 178.44 179.45 1duk n LYS 77 N -4.28 0.78 0.00 1.13 5.02 -0.83 -2.11 118.16 117.87 1duk n LYS 77 Ca 0.02 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.44 1duk n LYS 77 Cb 0.25 -1.49 0.50 0.00 -0.02 0.00 0.00 35.03 34.26 1duk n LYS 77 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1duk n LYS 78 N -0.99 0.62 -4.25 1.97 4.76 -0.32 -4.97 118.16 114.98 1duk n LYS 78 Ca 0.18 -0.28 -0.35 0.00 -2.87 0.00 0.00 58.31 55.00 1duk n LYS 78 Cb 0.08 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 31.71 1duk n LYS 78 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1duk n LYS 79 N -0.95 -0.75 0.00 1.97 5.02 -0.90 0.04 118.16 122.59 1duk n LYS 79 Ca 0.12 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1duk n LYS 79 Cb 0.31 -3.25 0.00 0.00 -0.02 0.00 0.00 35.03 32.07 1duk n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1duk n GLY 80 N -2.45 2.56 2.59 0.72 0.00 -1.26 -4.94 105.19 102.41 1duk n GLY 80 Ca -0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 1duk n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1duk n HIS 81 N -2.00 2.71 -1.58 1.61 8.25 0.11 -4.74 115.22 119.57 1duk n HIS 81 Ca 0.00 -2.63 -0.06 0.00 -0.26 0.00 0.00 57.72 54.77 1duk n HIS 81 Cb 0.00 -1.40 0.17 0.00 1.12 0.00 0.00 29.99 29.88 1duk n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1duk n HIS 82 N 0.49 1.11 0.16 4.41 1.44 -1.26 -4.78 115.22 116.78 1duk n HIS 82 Ca 0.52 -1.74 -0.14 0.00 -2.01 0.00 0.00 57.72 54.35 1duk n HIS 82 Cb 0.26 -0.44 -0.06 0.00 0.12 0.00 0.00 29.99 29.86 1duk n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 1duk h GLU 83 N 1.22 -0.54 -0.94 -1.40 3.07 -1.98 0.27 114.58 114.29 1duk h GLU 83 Ca 0.20 0.04 0.09 0.00 -0.50 0.00 0.00 59.36 59.19 1duk h GLU 83 Cb 1.41 0.12 -0.12 0.00 -0.84 0.00 0.00 28.75 29.33 1duk h GLU 83 CO 0.38 -0.36 -0.56 0.00 -1.40 0.00 0.00 179.01 177.08 1duk h ALA 84 N 0.08 -0.49 -0.29 3.43 0.00 -2.01 0.92 119.26 120.91 1duk h ALA 84 Ca 0.00 0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 1duk h ALA 84 Cb 0.54 1.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1duk h ALA 84 CO -0.10 -0.94 -0.48 0.93 0.00 0.00 0.00 179.25 178.66 1duk h GLU 85 N -0.04 0.78 -0.32 0.00 3.07 -1.89 -3.29 114.58 112.89 1duk h GLU 85 Ca 0.17 -0.46 -0.15 0.00 -0.50 0.00 0.00 59.36 58.43 1duk h GLU 85 Cb 0.45 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 1duk h GLU 85 CO -0.91 1.08 -0.40 1.25 -1.40 0.00 0.00 179.01 178.64 1duk h LEU 86 N 0.62 0.83 -0.12 1.33 6.46 0.10 -3.35 115.31 121.17 1duk h LEU 86 Ca 0.03 -0.38 0.03 0.00 -0.12 0.00 0.00 57.88 57.45 1duk h LEU 86 Cb 1.06 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.72 1duk h LEU 86 CO 0.10 1.12 -0.08 0.50 -0.62 0.00 0.00 178.44 179.46 1duk h LYS 87 N 0.64 -0.08 -0.20 1.25 3.64 -0.92 -1.40 116.57 119.48 1duk h LYS 87 Ca 0.05 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1duk h LYS 87 Cb 0.95 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1duk h LYS 87 CO 0.09 -0.06 0.02 -1.00 -2.27 0.00 0.00 179.45 176.23 1duk h PRO 88 N -0.09 0.28 -0.29 1.90 0.13 -1.74 -1.37 132.00 130.83 1duk h PRO 88 Ca 0.07 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 65.04 1duk h PRO 88 Cb 0.20 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.27 1duk h PRO 88 CO -0.17 0.29 -0.32 1.25 -0.23 0.00 0.00 178.00 178.82 1duk h LEU 89 N 0.28 0.77 -0.83 1.56 6.46 -1.52 -2.99 115.31 119.04 1duk h LEU 89 Ca 0.07 -0.48 -0.09 0.00 -0.12 0.00 0.00 57.88 57.25 1duk h LEU 89 Cb 0.16 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.86 1duk h LEU 89 CO 0.00 1.10 -0.13 0.00 -0.62 0.00 0.00 178.44 178.79 1duk h ALA 90 N 0.70 1.01 -0.06 1.25 0.00 -0.87 -1.95 119.26 119.34 1duk h ALA 90 Ca 0.04 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1duk h ALA 90 Cb 0.90 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1duk h ALA 90 CO 0.08 0.59 -0.02 1.96 0.00 0.00 0.00 179.25 181.86 1duk h GLN 91 N 0.66 -0.01 -0.14 0.00 1.08 -1.12 -0.36 115.11 115.21 1duk h GLN 91 Ca 0.11 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 57.10 1duk h GLN 91 Cb 0.60 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.04 1duk h GLN 91 CO 0.04 -0.01 -0.74 0.66 -0.95 0.00 0.00 178.83 177.83 1duk h SER 92 N -0.01 0.82 0.41 1.46 4.64 -1.57 0.78 113.55 120.07 1duk h SER 92 Ca 0.03 -0.53 -0.09 0.00 -0.47 0.00 0.00 61.79 60.74 1duk h SER 92 Cb 0.07 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 1duk h SER 92 CO -0.07 1.31 -0.43 0.45 -0.87 0.00 0.00 176.83 177.21 1duk h HIS 93 N 0.48 0.04 0.12 4.77 3.86 -1.29 0.19 115.15 123.31 1duk h HIS 93 Ca -0.04 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1duk h HIS 93 Cb 1.35 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.82 1duk h HIS 93 CO 0.07 0.46 -0.06 0.00 0.86 0.00 0.00 177.93 179.26 1duk h ALA 94 N 1.54 -0.16 0.10 2.45 0.00 -1.03 1.23 119.26 123.39 1duk h ALA 94 Ca -0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1duk h ALA 94 Cb 0.77 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1duk h ALA 94 CO 0.06 -0.19 -0.05 1.79 0.00 0.00 0.00 179.25 180.86 1duk h THR 95 N -0.95 0.00 0.24 0.00 1.35 0.63 -3.25 112.91 110.93 1duk h THR 95 Ca -0.02 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.61 1duk h THR 95 Cb 0.48 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.90 1duk h THR 95 CO 0.03 0.00 -0.11 0.50 -0.25 0.00 0.00 175.52 175.68 1duk h LYS 96 N -0.35 -0.31 0.08 4.72 3.11 -1.14 -3.39 116.57 119.30 1duk h LYS 96 Ca -0.01 0.02 -0.25 0.00 -2.81 0.00 0.00 60.65 57.59 1duk h LYS 96 Cb 0.10 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 1duk h LYS 96 CO 0.02 -0.21 -1.18 0.45 -2.81 0.00 0.00 179.45 175.73 1duk h HIS 97 N -0.38 0.32 -5.08 1.91 -0.00 -0.86 -3.50 115.15 107.56 1duk h HIS 97 Ca -0.03 -0.23 -0.06 0.00 -0.00 0.00 0.00 60.37 60.04 1duk h HIS 97 Cb 0.25 -0.01 0.05 0.00 -0.00 0.00 0.00 27.41 27.70 1duk h HIS 97 CO 0.13 1.19 -0.22 1.63 -0.00 0.00 0.00 177.93 180.65 1duk n LYS 98 N -3.46 -1.39 -3.74 2.45 5.02 0.41 -4.97 118.16 112.48 1duk n LYS 98 Ca -0.06 1.19 -0.37 0.00 -2.02 0.00 0.00 58.31 57.05 1duk n LYS 98 Cb 1.00 -5.23 -0.12 0.00 -0.02 0.00 0.00 35.03 30.65 1duk n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1duk s ILE 99 N -3.10 4.40 0.63 -0.18 -1.09 -0.23 -5.02 121.20 116.61 1duk s ILE 99 Ca 0.12 -0.15 -0.16 0.00 -2.23 0.00 0.00 60.65 58.23 1duk s ILE 99 Cb -0.02 -3.07 -0.01 0.00 -1.58 0.00 0.00 42.46 37.78 1duk s ILE 99 CO 0.65 0.32 1.12 -2.84 -1.23 0.00 0.00 174.94 172.97 1duk s PRO 100 N 1.63 2.90 0.43 2.79 0.02 -1.26 -4.84 135.00 136.67 1duk s PRO 100 Ca 0.06 1.48 0.11 0.00 0.02 0.00 0.00 61.00 62.67 1duk s PRO 100 Cb -0.15 -1.96 0.98 0.00 0.02 0.00 0.00 34.50 33.39 1duk s PRO 100 CO 0.04 -1.18 2.03 0.82 -0.33 0.00 0.00 177.00 178.38 1duk h ILE 101 N 0.32 0.99 -0.37 2.83 1.08 -1.97 -1.21 117.51 119.19 1duk h ILE 101 Ca -0.48 -0.15 0.03 0.00 -0.39 0.00 0.00 64.86 63.87 1duk h ILE 101 Cb 1.25 0.52 -0.03 0.00 -3.07 0.00 0.00 36.82 35.50 1duk h ILE 101 CO 0.55 0.08 0.19 0.50 -0.69 0.00 0.00 178.15 178.77 1duk h LYS 102 N 0.43 0.37 -0.93 2.37 1.63 -1.99 -1.10 116.57 117.35 1duk h LYS 102 Ca 0.20 -0.02 0.21 0.00 -0.85 0.00 0.00 60.65 60.19 1duk h LYS 102 Cb 0.25 -0.08 -0.07 0.00 -0.60 0.00 0.00 32.23 31.72 1duk h LYS 102 CO -0.05 0.24 0.61 1.88 -3.45 0.00 0.00 179.45 178.69 1duk h TYR 103 N 0.38 0.60 -0.01 1.91 0.99 -1.57 0.53 116.97 119.80 1duk h TYR 103 Ca 0.15 0.02 -0.16 0.00 2.00 0.00 0.00 58.73 60.75 1duk h TYR 103 Cb 0.06 -0.18 -0.02 0.00 1.00 0.00 0.00 36.73 37.59 1duk h TYR 103 CO -0.10 0.14 -0.71 -0.07 -0.00 0.00 0.00 178.16 177.42 1duk h LEU 104 N 0.44 0.08 -0.38 3.88 3.38 -1.28 -2.27 115.31 119.17 1duk h LEU 104 Ca 0.50 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.33 1duk h LEU 104 Cb 1.19 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1duk h LEU 104 CO -0.21 0.77 -0.06 -0.33 0.09 0.00 0.00 178.44 178.70 1duk h GLU 105 N 0.05 0.70 0.23 1.13 5.08 0.12 -0.90 114.58 120.99 1duk h GLU 105 Ca -0.01 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1duk h GLU 105 Cb 1.26 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1duk h GLU 105 CO 0.10 0.84 -0.31 0.74 -1.00 0.00 0.00 179.01 179.37 1duk h PHE 106 N 0.51 -0.85 -0.42 4.33 0.05 -0.99 -1.64 116.94 117.93 1duk h PHE 106 Ca 0.10 0.01 0.03 0.00 3.82 0.00 0.00 57.97 61.93 1duk h PHE 106 Cb 0.56 0.34 -0.02 0.00 2.00 0.00 0.00 35.95 38.83 1duk h PHE 106 CO 0.05 -0.44 0.28 0.97 -0.18 0.00 0.00 178.31 178.99 1duk h ILE 107 N -0.60 1.05 -0.73 -0.55 2.10 -1.42 -0.86 117.51 116.49 1duk h ILE 107 Ca 0.00 -0.16 0.02 0.00 1.08 0.00 0.00 64.86 65.80 1duk h ILE 107 Cb 0.58 0.53 -0.04 0.00 -1.09 0.00 0.00 36.82 36.80 1duk h ILE 107 CO -0.12 0.09 0.47 0.28 -1.08 0.00 0.00 178.15 177.79 1duk h SER 108 N 0.48 0.79 -0.41 2.19 0.02 -0.30 0.06 113.55 116.38 1duk h SER 108 Ca 0.17 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1duk h SER 108 Cb 0.08 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1duk h SER 108 CO -0.04 0.56 0.22 -0.33 -1.14 0.00 0.00 176.83 176.09 1duk h GLU 109 N 0.93 0.58 -0.57 3.45 5.08 -0.31 -2.22 114.58 121.53 1duk h GLU 109 Ca 0.28 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 1duk h GLU 109 Cb -0.04 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1duk h GLU 109 CO -0.09 0.48 0.29 0.00 -1.00 0.00 0.00 179.01 178.70 1duk h ALA 110 N 1.07 1.45 0.60 3.43 0.00 -0.90 -0.70 119.26 124.21 1duk h ALA 110 Ca 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1duk h ALA 110 Cb 0.08 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1duk h ALA 110 CO -0.02 0.45 -0.29 0.82 0.00 0.00 0.00 179.25 180.21 1duk h ILE 111 N 0.79 0.38 -0.65 0.00 2.04 -0.41 -2.09 117.51 117.57 1duk h ILE 111 Ca 0.20 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.96 1duk h ILE 111 Cb 0.05 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 1duk h ILE 111 CO -0.03 0.02 0.41 0.40 0.00 0.00 0.00 178.15 178.95 1duk h ILE 112 N -0.89 1.10 -0.50 -0.67 2.04 -1.17 -1.32 117.51 116.11 1duk h ILE 112 Ca -0.08 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.53 1duk h ILE 112 Cb 0.65 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1duk h ILE 112 CO 0.14 0.15 0.27 -0.74 0.00 0.00 0.00 178.15 177.97 1duk h HIS 113 N 0.81 0.51 -0.59 1.37 2.76 -0.99 0.26 115.15 119.28 1duk h HIS 113 Ca 0.26 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.38 1duk h HIS 113 Cb -0.01 -0.16 -0.02 0.00 1.55 0.00 0.00 27.41 28.77 1duk h HIS 113 CO -0.04 0.27 0.13 0.28 -1.30 0.00 0.00 177.93 177.26 1duk h VAL 114 N 0.54 1.25 0.00 5.26 2.07 -0.97 0.23 116.25 124.63 1duk h VAL 114 Ca 0.21 -0.93 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 1duk h VAL 114 Cb 0.08 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1duk h VAL 114 CO -0.13 0.34 -0.36 -0.07 0.02 0.00 0.00 177.57 177.38 1duk h LEU 115 N 0.86 0.00 0.04 2.57 3.38 -0.89 0.16 115.31 121.43 1duk h LEU 115 Ca 0.18 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.90 1duk h LEU 115 Cb 0.37 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.14 1duk h LEU 115 CO 0.00 0.36 -1.03 -0.74 0.09 0.00 0.00 178.44 177.13 1duk h HIS 116 N 0.00 0.96 -0.13 1.13 2.76 -0.41 -0.16 115.15 119.31 1duk h HIS 116 Ca -0.00 -0.55 0.01 0.00 -2.20 0.00 0.00 60.37 57.63 1duk h HIS 116 Cb 0.65 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 1duk h HIS 116 CO 0.00 1.39 0.04 0.77 -1.30 0.00 0.00 177.93 178.83 1duk h SER 117 N 0.27 0.05 0.40 3.26 0.02 -0.28 -3.04 113.55 114.23 1duk h SER 117 Ca -0.14 0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 60.58 1duk h SER 117 Cb 1.70 0.01 0.01 0.00 0.14 0.00 0.00 62.40 64.25 1duk h SER 117 CO 0.20 0.05 -1.06 0.03 -1.14 0.00 0.00 176.83 174.91 1duk h ARG 118 N 0.11 0.39 -0.95 3.45 3.08 -0.76 -3.41 114.38 116.29 1duk h ARG 118 Ca 0.05 -0.49 -0.56 0.00 0.07 0.00 0.00 59.98 59.05 1duk h ARG 118 Cb 0.03 0.16 -0.43 0.00 0.08 0.00 0.00 29.97 29.81 1duk h ARG 118 CO -0.06 1.17 -0.78 0.72 -1.07 0.00 0.00 179.97 179.95 1duk n HIS 119 N -3.69 2.92 -0.03 3.04 8.25 -0.07 -4.94 115.22 120.70 1duk n HIS 119 Ca -0.08 -2.45 -0.01 0.00 -0.26 0.00 0.00 57.72 54.92 1duk n HIS 119 Cb 0.90 -0.28 -0.01 0.00 1.12 0.00 0.00 29.99 31.72 1duk n HIS 119 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1duk h PRO 120 N 2.28 -0.00 0.00 -0.41 0.11 -1.67 0.79 132.00 133.10 1duk h PRO 120 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1duk h PRO 120 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1duk h PRO 120 CO 0.79 -0.00 0.46 0.78 -0.21 0.00 0.00 178.00 179.82 1duk h GLY 121 N -0.01 0.00 -0.50 -0.55 0.00 -1.92 1.56 103.07 101.66 1duk h GLY 121 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1duk h GLY 121 CO -0.06 0.00 -0.17 1.22 0.00 0.00 0.00 176.54 177.53 1duk n ASP 122 N -2.19 1.29 -2.83 0.19 9.92 0.24 -4.76 116.55 118.41 1duk n ASP 122 Ca -0.01 -1.14 -0.26 0.00 -0.53 0.00 0.00 54.79 52.84 1duk n ASP 122 Cb 0.48 0.40 -0.03 0.00 -0.64 0.00 0.00 41.12 41.33 1duk n ASP 122 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1duk n PHE 123 N -0.13 3.67 -1.30 1.24 7.35 0.53 -4.86 117.46 123.96 1duk n PHE 123 Ca 0.04 -3.74 -0.13 0.00 -0.76 0.00 0.00 57.45 52.85 1duk n PHE 123 Cb 0.21 -0.38 0.10 0.00 0.35 0.00 0.00 39.48 39.76 1duk n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1duk n GLY 124 N -0.28 -1.53 0.44 7.13 0.00 -1.25 -4.55 105.19 105.15 1duk n GLY 124 Ca 0.32 -1.65 -0.14 0.00 0.00 0.00 0.00 46.02 44.56 1duk n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1duk h ALA 125 N -1.98 -0.76 -0.51 4.61 0.00 -1.97 1.56 119.26 120.21 1duk h ALA 125 Ca -0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1duk h ALA 125 Cb 0.54 0.91 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1duk h ALA 125 CO 0.13 -1.02 0.26 0.38 0.00 0.00 0.00 179.25 179.01 1duk h ASP 126 N -0.55 0.65 -0.06 0.00 2.03 -1.98 0.95 116.42 117.46 1duk h ASP 126 Ca 0.05 -0.11 -0.15 0.00 -0.73 0.00 0.00 57.03 56.09 1duk h ASP 126 Cb 0.67 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 38.99 1duk h ASP 126 CO -0.42 0.58 -0.45 0.00 -1.03 0.00 0.00 179.24 177.93 1duk h ALA 127 N 1.10 0.77 0.00 4.15 0.00 -1.83 0.19 119.26 123.64 1duk h ALA 127 Ca 0.18 -0.46 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1duk h ALA 127 Cb 0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1duk h ALA 127 CO -0.03 0.66 -0.55 0.37 0.00 0.00 0.00 179.25 179.71 1duk h GLN 128 N 0.49 0.00 -0.28 0.00 4.15 0.26 -2.11 115.11 117.61 1duk h GLN 128 Ca 0.03 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 1duk h GLN 128 Cb 0.97 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.66 1duk h GLN 128 CO 0.09 0.55 -0.26 0.78 -1.93 0.00 0.00 178.83 178.05 1duk h GLY 129 N 1.69 0.74 1.02 2.39 0.00 0.16 -2.56 103.07 106.50 1duk h GLY 129 Ca -0.01 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 1duk h GLY 129 CO 0.07 0.67 0.56 0.00 0.00 0.00 0.00 176.54 177.85 1duk h ALA 130 N 0.71 1.18 -0.19 3.60 0.00 -0.45 -2.46 119.26 121.65 1duk h ALA 130 Ca 0.05 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1duk h ALA 130 Cb 0.83 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1duk h ALA 130 CO 0.07 0.63 -0.48 1.98 0.00 0.00 0.00 179.25 181.45 1duk h MET 131 N 1.27 0.49 -0.10 0.00 -1.53 -1.35 -2.21 114.93 111.51 1duk h MET 131 Ca 0.33 -0.27 -0.00 0.00 -3.44 0.00 0.00 59.70 56.32 1duk h MET 131 Cb -0.06 0.02 -0.00 0.00 -0.55 0.00 0.00 31.60 31.00 1duk h MET 131 CO -0.06 0.86 0.05 -0.97 0.14 0.00 0.00 176.91 176.93 1duk h ASN 132 N 0.39 0.12 -0.75 1.39 -1.24 -1.29 -1.05 115.58 113.15 1duk h ASN 132 Ca 0.02 -0.09 0.08 0.00 0.71 0.00 0.00 56.30 57.02 1duk h ASN 132 Cb 0.98 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.94 1duk h ASN 132 CO 0.09 0.17 0.42 0.11 -1.29 0.00 0.00 177.43 176.93 1duk h LYS 133 N 0.06 0.72 -0.41 6.67 1.57 -1.39 -1.23 116.57 122.57 1duk h LYS 133 Ca 0.03 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1duk h LYS 133 Cb 0.08 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1duk h LYS 133 CO -0.01 0.48 0.12 0.00 -0.57 0.00 0.00 179.45 179.47 1duk h ALA 134 N 1.40 1.44 0.00 3.86 0.00 -1.00 -0.63 119.26 124.33 1duk h ALA 134 Ca 0.35 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1duk h ALA 134 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1duk h ALA 134 CO -0.22 0.42 -0.21 -0.07 0.00 0.00 0.00 179.25 179.17 1duk h LEU 135 N 0.60 0.00 0.15 0.00 3.38 -0.67 -2.28 115.31 116.48 1duk h LEU 135 Ca 0.14 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.88 1duk h LEU 135 Cb 0.19 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.97 1duk h LEU 135 CO -0.01 0.21 -1.01 -0.08 0.09 0.00 0.00 178.44 177.64 1duk h GLU 136 N 0.00 0.42 -0.04 1.13 4.81 -0.15 -2.23 114.58 118.52 1duk h GLU 136 Ca -0.00 -0.65 0.02 0.00 -0.13 0.00 0.00 59.36 58.59 1duk h GLU 136 Cb 0.92 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1duk h GLU 136 CO 0.03 1.30 -0.06 1.25 -0.73 0.00 0.00 179.01 180.79 1duk h LEU 137 N -0.12 -0.19 -0.03 1.64 5.85 -1.08 0.97 115.31 122.35 1duk h LEU 137 Ca -0.17 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.62 1duk h LEU 137 Cb 1.77 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.85 1duk h LEU 137 CO 0.19 -0.09 -0.21 0.15 -0.34 0.00 0.00 178.44 178.14 1duk h PHE 138 N -0.09 -0.54 0.00 1.25 3.04 -1.49 -0.30 116.94 118.81 1duk h PHE 138 Ca 0.04 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 1duk h PHE 138 Cb 0.15 0.24 -0.00 0.00 2.56 0.00 0.00 35.95 38.90 1duk h PHE 138 CO -0.15 -0.29 -0.06 0.00 -2.02 0.00 0.00 178.31 175.78 1duk h ARG 139 N -0.32 0.00 0.12 1.11 3.08 -1.21 0.35 114.38 117.51 1duk h ARG 139 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1duk h ARG 139 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1duk h ARG 139 CO -0.21 0.06 -0.06 -0.22 -1.07 0.00 0.00 179.97 178.48 1duk h LYS 140 N 0.00 -0.15 -0.59 0.04 3.11 -0.03 -1.74 116.57 117.21 1duk h LYS 140 Ca -0.00 0.01 0.11 0.00 -2.81 0.00 0.00 60.65 57.96 1duk h LYS 140 Cb 0.12 0.03 -0.09 0.00 -1.00 0.00 0.00 32.23 31.30 1duk h LYS 140 CO 0.01 0.33 0.09 -0.44 -2.81 0.00 0.00 179.45 176.63 1duk h ASP 141 N -0.85 -0.08 -0.38 4.20 5.19 -0.84 -0.80 116.42 122.86 1duk h ASP 141 Ca -0.02 0.12 0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1duk h ASP 141 Cb 0.55 0.18 -0.03 0.00 0.18 0.00 0.00 39.33 40.22 1duk h ASP 141 CO 0.03 -0.03 0.20 0.40 -3.12 0.00 0.00 179.24 176.72 1duk h ILE 142 N 0.21 1.00 -0.93 0.35 2.04 -0.32 -2.32 117.51 117.54 1duk h ILE 142 Ca 0.31 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 66.06 1duk h ILE 142 Cb 0.47 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 1duk h ILE 142 CO -0.43 0.08 0.61 0.00 0.00 0.00 0.00 178.15 178.41 1duk h ALA 143 N 1.19 1.41 -0.49 1.87 0.00 -0.21 0.11 119.26 123.14 1duk h ALA 143 Ca 0.16 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1duk h ALA 143 Cb 0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1duk h ALA 143 CO -0.10 0.49 -0.11 0.00 0.00 0.00 0.00 179.25 179.53 1duk h ALA 144 N 1.46 0.88 -0.12 0.00 0.00 -1.27 -2.17 119.26 118.04 1duk h ALA 144 Ca 0.38 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1duk h ALA 144 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1duk h ALA 144 CO -0.12 0.64 -0.28 0.87 0.00 0.00 0.00 179.25 180.36 1duk h LYS 145 N 0.81 0.22 -0.52 0.00 1.79 -0.72 -2.19 116.57 115.96 1duk h LYS 145 Ca 0.13 -0.08 -0.08 0.00 -2.18 0.00 0.00 60.65 58.44 1duk h LYS 145 Cb 0.64 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.25 1duk h LYS 145 CO 0.04 0.49 0.01 1.88 -1.08 0.00 0.00 179.45 180.80 1duk h TYR 146 N 0.20 0.99 -0.53 -1.35 0.99 -0.18 -3.03 116.97 114.06 1duk h TYR 146 Ca 0.03 -0.17 -0.06 0.00 2.00 0.00 0.00 58.73 60.53 1duk h TYR 146 Cb 0.60 -0.26 -0.02 0.00 1.00 0.00 0.00 36.73 38.05 1duk h TYR 146 CO 0.01 0.91 0.08 0.87 -0.00 0.00 0.00 178.16 180.03 1duk h LYS 147 N 0.78 0.88 0.00 4.88 1.57 -1.23 -0.68 116.57 122.78 1duk h LYS 147 Ca 0.15 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1duk h LYS 147 Cb 0.51 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1duk h LYS 147 CO 0.02 0.86 -0.01 1.49 -0.57 0.00 0.00 179.45 181.24 1duk h GLU 148 N 0.76 0.00 -0.01 3.15 4.81 -1.39 0.44 114.58 122.35 1duk h GLU 148 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1duk h GLU 148 Cb 0.42 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1duk h GLU 148 CO 0.01 0.01 -0.38 1.28 -0.73 0.00 0.00 179.01 179.21 1duk n LEU 149 N -3.22 1.20 -0.18 1.64 4.77 -0.93 -4.93 117.00 115.34 1duk n LEU 149 Ca -0.02 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 1duk n LEU 149 Cb 0.14 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1duk n LEU 149 CO 0.23 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1duk n GLY 150 N 1.39 0.66 0.42 -0.72 0.00 0.16 -4.99 105.19 102.10 1duk n GLY 150 Ca 0.10 -0.76 -0.01 0.00 0.00 0.00 0.00 46.02 45.35 1duk n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1duk n TYR 151 N -3.25 0.00 0.00 1.61 4.19 -0.31 -4.97 117.16 114.43 1duk n TYR 151 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1duk n TYR 151 Cb 0.47 -0.04 0.00 0.00 0.49 0.00 0.00 39.34 40.26 1duk n TYR 151 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77