#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxu s LEU 2 N 0.00 4.16 0.81 7.52 1.43 -1.26 -5.04 118.68 126.30 1dxu s LEU 2 Ca 0.00 1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 54.18 1dxu s LEU 2 Cb 0.00 -3.27 0.08 0.00 0.03 0.00 0.00 46.19 43.03 1dxu s LEU 2 CO 0.00 -0.44 1.15 -0.94 0.23 0.00 0.00 176.35 176.35 1dxu s SER 3 N 1.18 4.46 0.23 2.29 1.04 -1.26 -4.87 113.70 116.78 1dxu s SER 3 Ca 0.39 0.92 -0.08 0.00 0.48 0.00 0.00 55.95 57.66 1dxu s SER 3 Cb -0.16 -1.50 0.22 0.00 0.10 0.00 0.00 66.02 64.68 1dxu s SER 3 CO 0.11 -1.95 1.91 -0.65 0.98 0.00 0.00 173.24 173.64 1dxu h PRO 4 N -1.08 1.20 -0.76 4.02 0.11 -2.00 -1.41 132.00 132.07 1dxu h PRO 4 Ca -0.47 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 1dxu h PRO 4 Cb 1.31 -0.27 -0.04 0.00 0.11 0.00 0.00 31.00 32.12 1dxu h PRO 4 CO 0.64 0.80 0.43 0.00 -0.21 0.00 0.00 178.00 179.66 1dxu h ALA 5 N 1.33 0.98 -0.41 -0.75 0.00 -2.00 -1.35 119.26 117.06 1dxu h ALA 5 Ca 0.33 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.17 1dxu h ALA 5 Cb -0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.31 1dxu h ALA 5 CO -0.07 0.48 0.18 -0.44 0.00 0.00 0.00 179.25 179.40 1dxu h ASP 6 N 1.06 0.24 -0.85 0.00 3.32 -1.71 -0.23 116.42 118.25 1dxu h ASP 6 Ca 0.27 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1dxu h ASP 6 Cb 0.02 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 1dxu h ASP 6 CO -0.04 0.17 0.49 0.11 -1.72 0.00 0.00 179.24 178.25 1dxu h LYS 7 N 0.37 1.17 -0.36 3.56 1.57 -0.75 0.13 116.57 122.26 1dxu h LYS 7 Ca 0.18 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1dxu h LYS 7 Cb 0.12 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1dxu h LYS 7 CO -0.15 0.83 0.14 1.15 -0.57 0.00 0.00 179.45 180.85 1dxu h THR 8 N 1.18 1.19 -0.18 -0.16 2.02 -0.72 -1.12 112.91 115.12 1dxu h THR 8 Ca 0.30 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.90 1dxu h THR 8 Cb -0.02 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 1dxu h THR 8 CO -0.05 0.21 0.10 0.78 0.37 0.00 0.00 175.52 176.92 1dxu h ASN 9 N 0.43 0.15 -0.01 4.18 2.35 -0.49 -1.47 115.58 120.73 1dxu h ASN 9 Ca 0.12 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1dxu h ASN 9 Cb 0.19 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1dxu h ASN 9 CO -0.01 0.11 0.01 0.58 -1.65 0.00 0.00 177.43 176.47 1dxu h VAL 10 N 0.20 1.03 -0.26 2.81 2.07 -0.88 -0.71 116.25 120.52 1dxu h VAL 10 Ca 0.07 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1dxu h VAL 10 Cb 0.00 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1dxu h VAL 10 CO -0.04 0.02 0.13 0.11 0.02 0.00 0.00 177.57 177.81 1dxu h LYS 11 N -0.02 0.35 0.00 1.57 1.57 -1.09 0.34 116.57 119.29 1dxu h LYS 11 Ca 0.00 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1dxu h LYS 11 Cb 0.03 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1dxu h LYS 11 CO -0.00 0.27 -0.00 0.00 -0.57 0.00 0.00 179.45 179.15 1dxu h ALA 12 N 1.79 -0.00 -0.40 3.86 0.00 -0.98 -1.15 119.26 122.37 1dxu h ALA 12 Ca 0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1dxu h ALA 12 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1dxu h ALA 12 CO -0.01 -0.22 0.12 0.00 0.00 0.00 0.00 179.25 179.13 1dxu h ALA 13 N 0.44 0.53 -0.66 0.00 0.00 -0.75 -2.46 119.26 116.36 1dxu h ALA 13 Ca -0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1dxu h ALA 13 Cb 0.55 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1dxu h ALA 13 CO 0.00 0.18 0.09 2.35 0.00 0.00 0.00 179.25 181.87 1dxu h TRP 14 N 0.50 1.16 -0.69 0.00 2.91 -1.01 -2.01 115.95 116.82 1dxu h TRP 14 Ca 0.13 -0.16 0.10 0.00 1.13 0.00 0.00 58.89 60.08 1dxu h TRP 14 Cb 0.27 -0.32 -0.07 0.00 -0.51 0.00 0.00 29.16 28.53 1dxu h TRP 14 CO 0.01 0.98 0.32 0.78 -1.03 0.00 0.00 178.44 179.50 1dxu h GLY 15 N 1.04 1.01 1.36 2.65 0.00 -1.04 -0.05 103.07 108.04 1dxu h GLY 15 Ca 0.20 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1dxu h GLY 15 CO 0.01 0.02 0.10 1.70 0.00 0.00 0.00 176.54 178.38 1dxu h LYS 16 N 0.54 0.80 -0.14 4.80 3.11 -0.94 -2.66 116.57 122.08 1dxu h LYS 16 Ca 0.34 -0.17 0.03 0.00 -2.81 0.00 0.00 60.65 58.04 1dxu h LYS 16 Cb 0.39 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.47 1dxu h LYS 16 CO -0.29 0.74 -0.07 0.28 -2.81 0.00 0.00 179.45 177.31 1dxu h VAL 17 N 0.77 0.78 0.00 2.00 2.07 -0.34 -3.45 116.25 118.09 1dxu h VAL 17 Ca 0.17 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.69 1dxu h VAL 17 Cb 0.33 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1dxu h VAL 17 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1dxu n GLY 18 N -1.21 3.22 0.02 2.17 0.00 -0.68 -1.78 105.19 106.93 1dxu n GLY 18 Ca -0.03 0.27 0.11 0.00 0.00 0.00 0.00 46.02 46.36 1dxu n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxu n ALA 19 N 11.48 1.97 1.41 4.61 0.00 -1.26 -2.99 120.51 135.73 1dxu n ALA 19 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.52 1dxu n ALA 19 Cb 0.00 -1.36 0.47 0.00 0.00 0.00 0.00 19.45 18.56 1dxu n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1dxu n HIS 20 N -1.60 0.02 -0.20 0.00 -0.00 -0.73 -4.50 115.22 108.21 1dxu n HIS 20 Ca 0.05 -0.01 -0.00 0.00 -0.00 0.00 0.00 57.72 57.75 1dxu n HIS 20 Cb 0.26 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.32 1dxu n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1dxu h ALA 21 N 4.36 0.46 -0.86 -1.41 0.00 -1.69 0.79 119.26 120.91 1dxu h ALA 21 Ca 0.00 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1dxu h ALA 21 Cb 0.55 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1dxu h ALA 21 CO 0.00 -0.42 0.53 0.78 0.00 0.00 0.00 179.25 180.14 1dxu h GLY 22 N 0.03 1.24 1.36 0.00 0.00 -1.84 0.24 103.07 104.10 1dxu h GLY 22 Ca 0.30 -0.50 -0.15 0.00 0.00 0.00 0.00 47.33 46.98 1dxu h GLY 22 CO -0.60 0.49 -0.42 -2.09 0.00 0.00 0.00 176.54 173.92 1dxu h GLU 23 N 1.18 0.70 -0.49 4.80 4.81 -1.64 -2.14 114.58 121.81 1dxu h GLU 23 Ca 0.31 -0.37 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 1dxu h GLU 23 Cb -0.07 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1dxu h GLU 23 CO -0.06 0.99 -0.16 1.88 -0.73 0.00 0.00 179.01 180.92 1dxu h TYR 24 N 0.57 1.06 -0.47 0.92 0.05 -0.39 -1.51 116.97 117.20 1dxu h TYR 24 Ca 0.04 -0.23 -0.00 0.00 0.05 0.00 0.00 58.73 58.59 1dxu h TYR 24 Cb 0.96 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.41 1dxu h TYR 24 CO 0.05 1.02 0.28 0.78 -1.05 0.00 0.00 178.16 179.24 1dxu h GLY 25 N 0.93 0.69 1.01 3.88 0.00 -0.40 -0.63 103.07 108.55 1dxu h GLY 25 Ca 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1dxu h GLY 25 CO 0.05 0.28 0.43 0.00 0.00 0.00 0.00 176.54 177.30 1dxu h ALA 26 N 1.13 0.95 -0.53 3.60 0.00 -1.18 -2.22 119.26 121.01 1dxu h ALA 26 Ca 0.17 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1dxu h ALA 26 Cb -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1dxu h ALA 26 CO -0.03 0.45 0.02 1.49 0.00 0.00 0.00 179.25 181.17 1dxu h GLU 27 N 1.02 0.93 -0.77 0.00 4.81 -1.01 -1.77 114.58 117.79 1dxu h GLU 27 Ca 0.26 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1dxu h GLU 27 Cb 0.00 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 1dxu h GLU 27 CO -0.05 0.94 0.50 0.00 -0.73 0.00 0.00 179.01 179.67 1dxu h ALA 28 N 0.96 0.97 -0.22 2.92 0.00 -0.90 0.32 119.26 123.31 1dxu h ALA 28 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1dxu h ALA 28 Cb 0.51 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1dxu h ALA 28 CO 0.02 0.40 0.11 -0.07 0.00 0.00 0.00 179.25 179.71 1dxu h LEU 29 N 1.04 0.28 -1.09 0.00 3.38 -1.18 -0.91 115.31 116.83 1dxu h LEU 29 Ca 0.28 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1dxu h LEU 29 Cb -0.10 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 1dxu h LEU 29 CO -0.06 0.31 0.61 -0.08 0.09 0.00 0.00 178.44 179.32 1dxu h GLU 30 N 0.23 1.20 -0.65 1.13 4.81 -0.93 -0.07 114.58 120.30 1dxu h GLU 30 Ca 0.08 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1dxu h GLU 30 Cb 0.10 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 1dxu h GLU 30 CO -0.01 0.79 0.31 0.00 -0.73 0.00 0.00 179.01 179.37 1dxu h ARG 31 N 1.24 0.93 -0.00 1.92 3.08 -0.63 -2.03 114.38 118.89 1dxu h ARG 31 Ca 0.35 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 1dxu h ARG 31 Cb -0.11 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.77 1dxu h ARG 31 CO -0.08 0.75 0.00 1.98 -1.07 0.00 0.00 179.97 181.55 1dxu h MET 32 N 0.89 0.00 -0.36 0.04 4.05 -0.53 0.91 114.93 119.94 1dxu h MET 32 Ca 0.22 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 1dxu h MET 32 Cb 0.13 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 1dxu h MET 32 CO -0.03 0.14 0.23 0.74 0.23 0.00 0.00 176.91 178.22 1dxu h PHE 33 N -0.13 0.46 0.13 1.39 0.04 -0.94 0.16 116.94 118.05 1dxu h PHE 33 Ca 0.00 0.01 -0.20 0.00 2.80 0.00 0.00 57.97 60.58 1dxu h PHE 33 Cb 0.13 -0.15 0.01 0.00 2.20 0.00 0.00 35.95 38.14 1dxu h PHE 33 CO -0.03 0.30 -0.90 -0.07 -0.60 0.00 0.00 178.31 177.01 1dxu h LEU 34 N 0.49 0.42 -0.18 1.54 3.38 -1.22 -3.30 115.31 116.44 1dxu h LEU 34 Ca 0.13 -0.93 -0.22 0.00 0.09 0.00 0.00 57.88 56.95 1dxu h LEU 34 Cb -0.04 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1dxu h LEU 34 CO -0.03 1.42 -0.93 0.28 0.09 0.00 0.00 178.44 179.27 1dxu h SER 35 N -0.40 0.53 -2.47 -0.43 0.02 -0.63 -3.39 113.55 106.78 1dxu h SER 35 Ca -0.17 -0.42 -0.59 0.00 -0.84 0.00 0.00 61.79 59.76 1dxu h SER 35 Cb 1.63 -0.16 -0.40 0.00 0.14 0.00 0.00 62.40 63.61 1dxu h SER 35 CO 0.12 1.22 -0.80 0.49 -1.14 0.00 0.00 176.83 176.72 1dxu n PHE 36 N -3.75 1.37 0.24 3.45 3.72 0.53 -4.99 117.46 118.03 1dxu n PHE 36 Ca -0.07 -3.83 0.18 0.00 -0.05 0.00 0.00 57.45 53.68 1dxu n PHE 36 Cb 0.83 -0.29 0.88 0.00 -0.94 0.00 0.00 39.48 39.96 1dxu n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1dxu h PRO 37 N 4.93 0.00 0.00 -1.08 0.13 -1.72 -0.29 132.00 133.96 1dxu h PRO 37 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1dxu h PRO 37 Cb 0.81 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1dxu h PRO 37 CO 0.59 0.00 -0.02 1.79 -0.23 0.00 0.00 178.00 180.13 1dxu h THR 38 N 0.00 0.10 0.00 1.56 1.35 -1.91 -1.55 112.91 112.45 1dxu h THR 38 Ca 0.06 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1dxu h THR 38 Cb 0.47 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1dxu h THR 38 CO -0.00 0.02 0.00 0.71 -0.25 0.00 0.00 175.52 176.00 1dxu h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.37 -2.33 112.91 117.38 1dxu h THR 39 Ca -0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1dxu h THR 39 Cb 0.22 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1dxu h THR 39 CO 0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1dxu h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.46 -2.69 116.57 118.71 1dxu h LYS 40 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1dxu h LYS 40 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1dxu h LYS 40 CO 0.00 0.00 -0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1dxu h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.59 -0.59 112.91 111.91 1dxu h THR 41 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1dxu h THR 41 Cb 0.31 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1dxu h THR 41 CO 0.00 0.00 -0.26 -1.22 -0.25 0.00 0.00 175.52 173.79 1dxu n TYR 42 N -3.08 0.00 -2.47 4.73 4.01 -1.01 -4.34 117.16 114.99 1dxu n TYR 42 Ca -0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 1dxu n TYR 42 Cb 0.10 -0.10 0.02 0.00 -0.31 0.00 0.00 39.34 39.05 1dxu n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1dxu n PHE 43 N -0.49 2.48 0.30 -0.72 3.01 -0.23 -4.84 117.46 116.98 1dxu n PHE 43 Ca 0.12 -2.74 0.16 0.00 1.01 0.00 0.00 57.45 56.01 1dxu n PHE 43 Cb 0.36 -0.22 0.65 0.00 -0.01 0.00 0.00 39.48 40.26 1dxu n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1dxu h PRO 44 N 2.60 0.00 -0.17 -1.08 0.13 -1.75 -2.79 132.00 128.94 1dxu h PRO 44 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1dxu h PRO 44 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1dxu h PRO 44 CO 0.67 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.05 1dxu n HIS 45 N -2.93 0.22 -4.13 1.56 1.44 -1.26 -4.90 115.22 105.22 1dxu n HIS 45 Ca 0.01 -0.11 -0.28 0.00 -2.01 0.00 0.00 57.72 55.33 1dxu n HIS 45 Cb 0.29 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.34 1dxu n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1dxu s PHE 46 N -1.78 3.01 -0.43 -1.40 0.40 -1.05 -5.07 117.98 111.66 1dxu s PHE 46 Ca 0.33 -0.05 -0.23 0.00 -0.60 0.00 0.00 56.93 56.38 1dxu s PHE 46 Cb 0.18 -1.48 0.02 0.00 0.51 0.00 0.00 43.02 42.25 1dxu s PHE 46 CO 0.27 0.51 0.79 0.34 0.70 0.00 0.00 175.22 177.82 1dxu s ASP 47 N -2.78 6.44 -0.09 1.36 2.15 -1.26 -4.89 116.67 117.59 1dxu s ASP 47 Ca 0.28 -0.01 0.14 0.00 0.43 0.00 0.00 52.55 53.39 1dxu s ASP 47 Cb -0.10 -2.39 0.58 0.00 -0.30 0.00 0.00 42.92 40.71 1dxu s ASP 47 CO 0.20 -0.88 1.46 0.18 -0.17 0.00 0.00 175.17 175.96 1dxu n LEU 48 N 6.67 3.94 -4.75 -1.34 4.77 -1.26 -4.49 117.00 120.54 1dxu n LEU 48 Ca 0.03 -1.99 -0.36 0.00 -0.03 0.00 0.00 56.01 53.66 1dxu n LEU 48 Cb 0.48 -0.52 0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1dxu n LEU 48 CO 0.58 0.66 0.84 -0.94 -1.33 0.00 0.00 177.39 177.20 1dxu s SER 49 N -0.80 5.14 0.04 -1.43 1.04 -1.26 -4.88 113.70 111.56 1dxu s SER 49 Ca 0.41 2.39 -0.33 0.00 0.48 0.00 0.00 55.95 58.91 1dxu s SER 49 Cb 0.27 -2.60 -0.12 0.00 0.10 0.00 0.00 66.02 63.67 1dxu s SER 49 CO 0.19 -1.62 1.82 1.57 0.98 0.00 0.00 173.24 176.18 1dxu n HIS 50 N -1.63 2.43 -0.82 5.02 -0.00 -1.26 -1.78 115.22 117.18 1dxu n HIS 50 Ca 0.14 -0.04 0.00 0.00 0.46 0.00 0.00 57.72 58.28 1dxu n HIS 50 Cb 0.50 -2.68 0.00 0.00 -0.12 0.00 0.00 29.99 27.69 1dxu n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1dxu n GLY 51 N 4.16 0.62 3.71 1.57 0.00 -1.26 -5.04 105.19 108.95 1dxu n GLY 51 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1dxu n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1dxu n SER 52 N 0.00 2.03 0.04 1.61 3.41 -0.73 -4.83 113.62 115.15 1dxu n SER 52 Ca 0.00 0.90 0.00 0.00 -0.26 0.00 0.00 58.87 59.51 1dxu n SER 52 Cb 0.00 -1.52 0.32 0.00 -0.26 0.00 0.00 64.21 62.75 1dxu n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dxu h ALA 53 N 0.95 1.40 -0.51 7.33 0.00 -1.91 -1.59 119.26 124.94 1dxu h ALA 53 Ca -0.50 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 1dxu h ALA 53 Cb 1.33 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1dxu h ALA 53 CO 0.54 0.42 0.26 1.96 0.00 0.00 0.00 179.25 182.43 1dxu h GLN 54 N 0.41 0.72 -0.30 0.00 4.20 -1.90 0.18 115.11 118.43 1dxu h GLN 54 Ca 0.09 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 1dxu h GLN 54 Cb 0.36 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1dxu h GLN 54 CO 0.02 0.59 -0.24 0.28 -0.67 0.00 0.00 178.83 178.81 1dxu h VAL 55 N 0.67 1.30 -0.54 -0.54 2.07 -1.73 -1.01 116.25 116.47 1dxu h VAL 55 Ca 0.18 -1.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.28 1dxu h VAL 55 Cb 0.09 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1dxu h VAL 55 CO -0.02 0.44 0.20 0.11 0.02 0.00 0.00 177.57 178.32 1dxu h LYS 56 N 0.43 0.81 -0.47 1.57 1.57 -1.13 0.14 116.57 119.49 1dxu h LYS 56 Ca 0.05 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1dxu h LYS 56 Cb 0.79 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1dxu h LYS 56 CO 0.06 0.72 0.05 0.78 -0.57 0.00 0.00 179.45 180.49 1dxu h GLY 57 N 0.73 0.87 1.04 3.86 0.00 -0.61 -2.06 103.07 106.90 1dxu h GLY 57 Ca 0.18 -0.60 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 1dxu h GLY 57 CO -0.01 0.56 0.13 0.84 0.00 0.00 0.00 176.54 178.06 1dxu h HIS 58 N 0.67 1.09 -1.00 5.60 -0.00 -1.03 -1.74 115.15 118.75 1dxu h HIS 58 Ca 0.14 -0.14 0.07 0.00 -0.00 0.00 0.00 60.37 60.44 1dxu h HIS 58 Cb 0.43 -0.30 -0.07 0.00 -0.00 0.00 0.00 27.41 27.47 1dxu h HIS 58 CO 0.03 0.92 0.64 0.78 -0.00 0.00 0.00 177.93 180.30 1dxu h GLY 59 N 0.95 1.52 0.91 5.26 0.00 -0.59 0.75 103.07 111.86 1dxu h GLY 59 Ca 0.20 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 1dxu h GLY 59 CO 0.01 0.33 0.09 1.70 0.00 0.00 0.00 176.54 178.67 1dxu h LYS 60 N 1.16 0.49 -0.58 4.80 3.64 -0.96 -1.53 116.57 123.60 1dxu h LYS 60 Ca 0.43 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.59 1dxu h LYS 60 Cb 0.17 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1dxu h LYS 60 CO -0.17 0.54 -0.06 0.87 -2.27 0.00 0.00 179.45 178.36 1dxu h LYS 61 N 0.35 1.06 -0.20 1.90 1.57 -0.54 -0.97 116.57 119.74 1dxu h LYS 61 Ca 0.10 -0.36 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1dxu h LYS 61 Cb 0.26 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1dxu h LYS 61 CO -0.00 1.06 0.12 0.28 -0.57 0.00 0.00 179.45 180.35 1dxu h VAL 62 N 0.95 1.08 -0.69 0.50 2.07 -0.75 -1.84 116.25 117.57 1dxu h VAL 62 Ca 0.16 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1dxu h VAL 62 Cb 0.62 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1dxu h VAL 62 CO 0.04 0.08 0.46 0.00 0.02 0.00 0.00 177.57 178.16 1dxu h ALA 63 N 1.04 0.89 -0.62 1.67 0.00 -1.15 -1.38 119.26 119.70 1dxu h ALA 63 Ca 0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1dxu h ALA 63 Cb 0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1dxu h ALA 63 CO -0.01 0.28 0.30 -0.44 0.00 0.00 0.00 179.25 179.38 1dxu h ASP 64 N 0.92 0.82 -0.62 0.00 5.19 -1.02 0.32 116.42 122.03 1dxu h ASP 64 Ca 0.26 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1dxu h ASP 64 Cb -0.08 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.19 1dxu h ASP 64 CO -0.07 0.72 0.40 0.00 -3.12 0.00 0.00 179.24 177.18 1dxu h ALA 65 N 1.13 0.79 -0.69 3.45 0.00 -0.90 -0.58 119.26 122.46 1dxu h ALA 65 Ca 0.21 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1dxu h ALA 65 Cb 0.12 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1dxu h ALA 65 CO -0.03 0.23 0.28 -0.07 0.00 0.00 0.00 179.25 179.66 1dxu h LEU 66 N 0.84 0.94 -0.60 0.00 4.07 -0.81 -0.66 115.31 119.10 1dxu h LEU 66 Ca 0.23 -0.17 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 1dxu h LEU 66 Cb -0.08 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.39 1dxu h LEU 66 CO -0.05 0.85 0.31 0.74 -1.08 0.00 0.00 178.44 179.22 1dxu h THR 67 N 0.98 1.20 -0.51 0.22 2.02 -0.58 -0.70 112.91 115.54 1dxu h THR 67 Ca 0.23 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 66.91 1dxu h THR 67 Cb 0.20 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 1dxu h THR 67 CO -0.02 0.22 0.29 -1.13 0.37 0.00 0.00 175.52 175.25 1dxu h ASN 68 N 0.81 0.45 -0.54 4.18 -1.24 -0.69 -0.90 115.58 117.66 1dxu h ASN 68 Ca 0.21 0.01 -0.06 0.00 0.71 0.00 0.00 56.30 57.17 1dxu h ASN 68 Cb 0.07 -0.08 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 1dxu h ASN 68 CO -0.03 0.32 0.12 0.00 -1.29 0.00 0.00 177.43 176.54 1dxu h ALA 69 N 1.24 1.11 -0.48 1.57 0.00 -0.54 -1.45 119.26 120.71 1dxu h ALA 69 Ca 0.21 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1dxu h ALA 69 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1dxu h ALA 69 CO -0.11 0.59 -0.09 0.28 0.00 0.00 0.00 179.25 179.92 1dxu h VAL 70 N 0.88 1.27 -0.19 0.00 2.07 -0.71 0.27 116.25 119.84 1dxu h VAL 70 Ca 0.18 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 1dxu h VAL 70 Cb 0.35 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1dxu h VAL 70 CO 0.00 0.42 0.02 0.00 0.02 0.00 0.00 177.57 178.03 1dxu h ALA 71 N 0.90 1.69 -0.88 1.67 0.00 -0.88 -2.99 119.26 118.76 1dxu h ALA 71 Ca 0.13 -0.10 -0.54 0.00 0.00 0.00 0.00 54.91 54.40 1dxu h ALA 71 Cb 0.63 -0.09 -0.43 0.00 0.00 0.00 0.00 17.79 17.91 1dxu h ALA 71 CO 0.04 0.24 -0.83 0.72 0.00 0.00 0.00 179.25 179.42 1dxu n HIS 72 N -4.40 2.76 0.31 0.00 8.25 -0.57 -4.84 115.22 116.73 1dxu n HIS 72 Ca -0.00 -2.40 0.19 0.00 -0.26 0.00 0.00 57.72 55.25 1dxu n HIS 72 Cb 0.16 -0.28 1.06 0.00 1.12 0.00 0.00 29.99 32.05 1dxu n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1dxu h VAL 73 N 2.48 0.27 0.00 1.59 3.04 -0.79 -0.78 116.25 122.06 1dxu h VAL 73 Ca 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.01 1dxu h VAL 73 Cb 1.40 0.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 1dxu h VAL 73 CO 0.74 0.00 -0.41 0.44 -1.01 0.00 0.00 177.57 177.33 1dxu h ASP 74 N 0.00 0.00 -0.84 3.17 3.32 -1.88 -3.38 116.42 116.81 1dxu h ASP 74 Ca 0.00 -0.13 -0.35 0.00 0.02 0.00 0.00 57.03 56.58 1dxu h ASP 74 Cb 0.03 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.18 1dxu h ASP 74 CO -0.00 0.06 -1.11 -0.67 -1.72 0.00 0.00 179.24 175.80 1dxu n ASP 75 N -2.23 1.97 -0.13 6.45 2.03 -0.37 -4.97 116.55 119.29 1dxu n ASP 75 Ca 0.04 -2.62 -0.04 0.00 0.52 0.00 0.00 54.79 52.68 1dxu n ASP 75 Cb 0.45 -0.50 0.04 0.00 -0.72 0.00 0.00 41.12 40.39 1dxu n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1dxu h MET 76 N 2.78 0.22 -0.66 -0.67 2.86 -1.56 -1.17 114.93 116.73 1dxu h MET 76 Ca -0.05 -0.01 0.14 0.00 -2.06 0.00 0.00 59.70 57.72 1dxu h MET 76 Cb 1.21 -0.05 -0.11 0.00 0.06 0.00 0.00 31.60 32.71 1dxu h MET 76 CO 0.44 0.15 0.05 -1.35 1.06 0.00 0.00 176.91 177.26 1dxu h PRO 77 N 0.23 0.15 -0.11 -0.22 0.11 -1.93 0.13 132.00 130.36 1dxu h PRO 77 Ca 0.21 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.17 1dxu h PRO 77 Cb 0.26 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.34 1dxu h PRO 77 CO -0.27 0.10 -0.48 -0.91 -0.21 0.00 0.00 178.00 176.24 1dxu h ASN 78 N 0.16 0.61 -0.51 -2.05 4.21 -1.90 -2.32 115.58 113.79 1dxu h ASN 78 Ca 0.36 -0.63 -0.01 0.00 1.21 0.00 0.00 56.30 57.23 1dxu h ASN 78 Cb 0.59 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 37.58 1dxu h ASN 78 CO -0.54 1.14 0.29 0.00 -1.29 0.00 0.00 177.43 177.03 1dxu h ALA 79 N 0.49 1.50 -0.63 -0.83 0.00 -0.36 -2.73 119.26 116.71 1dxu h ALA 79 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1dxu h ALA 79 Cb 1.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1dxu h ALA 79 CO 0.10 0.42 0.00 1.28 0.00 0.00 0.00 179.25 181.04 1dxu n LEU 80 N -4.40 3.97 -0.26 0.00 4.77 0.38 -4.72 117.00 116.75 1dxu n LEU 80 Ca 0.05 -2.14 -0.02 0.00 -0.03 0.00 0.00 56.01 53.87 1dxu n LEU 80 Cb 0.10 -0.47 0.05 0.00 -2.33 0.00 0.00 43.42 40.77 1dxu n LEU 80 CO 0.37 0.89 0.65 -1.28 -1.33 0.00 0.00 177.39 176.69 1dxu h SER 81 N 3.74 -1.04 -0.70 -1.43 0.87 -1.08 0.23 113.55 114.13 1dxu h SER 81 Ca 0.00 0.25 -0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1dxu h SER 81 Cb 1.07 0.57 -0.03 0.00 -0.44 0.00 0.00 62.40 63.57 1dxu h SER 81 CO 0.07 -0.28 0.33 0.00 -0.53 0.00 0.00 176.83 176.41 1dxu h ALA 82 N 1.38 1.23 -0.14 6.23 0.00 -1.84 -0.94 119.26 125.16 1dxu h ALA 82 Ca 0.31 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 1dxu h ALA 82 Cb 0.57 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1dxu h ALA 82 CO -0.79 0.59 -0.69 1.25 0.00 0.00 0.00 179.25 179.60 1dxu h LEU 83 N 1.03 0.70 -0.87 0.00 5.85 -1.43 -1.78 115.31 118.81 1dxu h LEU 83 Ca 0.25 -0.44 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 1dxu h LEU 83 Cb 0.13 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1dxu h LEU 83 CO -0.03 1.19 -0.07 0.77 -0.34 0.00 0.00 178.44 179.96 1dxu h SER 84 N 0.43 0.74 -0.29 1.25 4.64 -0.22 -1.41 113.55 118.68 1dxu h SER 84 Ca -0.03 -0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.05 1dxu h SER 84 Cb 1.28 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1dxu h SER 84 CO 0.13 0.85 0.04 0.44 -0.87 0.00 0.00 176.83 177.42 1dxu h ASP 85 N 0.69 0.47 -0.65 4.97 3.32 -0.96 -1.39 116.42 122.88 1dxu h ASP 85 Ca 0.12 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 56.93 1dxu h ASP 85 Cb 0.53 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 1dxu h ASP 85 CO 0.03 0.62 0.41 0.25 -1.72 0.00 0.00 179.24 178.83 1dxu h LEU 86 N 0.30 0.67 -0.25 1.55 5.85 -1.08 0.88 115.31 123.23 1dxu h LEU 86 Ca 0.09 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.66 1dxu h LEU 86 Cb 0.36 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1dxu h LEU 86 CO 0.01 0.47 -0.43 0.45 -0.34 0.00 0.00 178.44 178.60 1dxu h HIS 87 N 0.80 0.91 -0.24 1.25 3.86 -1.17 0.01 115.15 120.58 1dxu h HIS 87 Ca 0.26 -0.32 -0.08 0.00 -1.16 0.00 0.00 60.37 59.07 1dxu h HIS 87 Cb 0.00 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.29 1dxu h HIS 87 CO -0.05 1.10 -0.18 0.00 0.86 0.00 0.00 177.93 179.67 1dxu h ALA 88 N 0.65 0.35 0.00 2.45 0.00 -1.04 0.26 119.26 121.93 1dxu h ALA 88 Ca 0.02 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1dxu h ALA 88 Cb 1.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1dxu h ALA 88 CO 0.10 0.26 -1.88 0.72 0.00 0.00 0.00 179.25 178.45 1dxu n HIS 89 N -4.43 0.29 0.01 0.00 8.25 0.28 -4.54 115.22 115.08 1dxu n HIS 89 Ca -0.04 0.09 -0.02 0.00 -0.26 0.00 0.00 57.72 57.49 1dxu n HIS 89 Cb 0.39 -0.78 -0.01 0.00 1.12 0.00 0.00 29.99 30.71 1dxu n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1dxu n LYS 90 N -2.54 0.12 -0.04 -0.41 0.00 -0.58 -4.85 118.16 109.86 1dxu n LYS 90 Ca -0.12 0.05 -0.12 0.00 0.00 0.00 0.00 58.31 58.12 1dxu n LYS 90 Cb 0.76 -0.65 -0.07 0.00 0.00 0.00 0.00 35.03 35.08 1dxu n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1dxu h LEU 91 N -0.23 0.22 -1.66 3.14 3.38 -1.14 -3.48 115.31 115.53 1dxu h LEU 91 Ca 0.00 -0.35 -0.42 0.00 0.09 0.00 0.00 57.88 57.20 1dxu h LEU 91 Cb 0.23 -0.06 0.06 0.00 0.09 0.00 0.00 40.66 40.98 1dxu h LEU 91 CO 0.00 0.52 -0.81 0.54 0.09 0.00 0.00 178.44 178.78 1dxu n ARG 92 N -4.76 -5.20 -2.43 1.13 1.74 0.93 -4.94 116.66 103.12 1dxu n ARG 92 Ca -0.06 0.64 -0.42 0.00 -0.77 0.00 0.00 57.85 57.24 1dxu n ARG 92 Cb 0.23 -5.29 -0.03 0.00 -1.02 0.00 0.00 32.46 26.36 1dxu n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1dxu s VAL 93 N -3.60 4.07 0.33 1.55 1.01 -1.26 -4.97 120.40 117.54 1dxu s VAL 93 Ca 0.09 1.49 -0.29 0.00 0.00 0.00 0.00 61.98 63.26 1dxu s VAL 93 Cb -0.04 -3.95 -0.12 0.00 0.00 0.00 0.00 36.38 32.27 1dxu s VAL 93 CO 0.80 0.12 1.52 -0.67 0.00 0.00 0.00 175.10 176.87 1dxu n ASP 94 N 3.91 3.70 -0.07 3.32 -0.08 -1.26 -4.84 116.55 121.24 1dxu n ASP 94 Ca 0.09 1.19 0.25 0.00 -1.51 0.00 0.00 54.79 54.80 1dxu n ASP 94 Cb 0.47 -1.59 0.72 0.00 2.34 0.00 0.00 41.12 43.05 1dxu n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1dxu h PRO 95 N 3.77 0.00 -0.93 -0.67 0.11 -2.00 -2.04 132.00 130.23 1dxu h PRO 95 Ca -0.48 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.74 1dxu h PRO 95 Cb 1.24 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.28 1dxu h PRO 95 CO 0.71 0.00 0.60 0.28 -0.21 0.00 0.00 178.00 179.38 1dxu h VAL 96 N 0.00 0.91 0.00 3.15 2.07 -2.04 -2.39 116.25 117.96 1dxu h VAL 96 Ca 0.33 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1dxu h VAL 96 Cb 1.44 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1dxu h VAL 96 CO -0.00 0.16 -0.07 0.78 0.02 0.00 0.00 177.57 178.46 1dxu h ASN 97 N 0.87 0.00 -0.41 0.57 4.21 -1.73 -2.72 115.58 116.37 1dxu h ASN 97 Ca 0.45 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.89 1dxu h ASN 97 Cb 0.52 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.70 1dxu h ASN 97 CO -0.22 0.07 0.01 -0.26 -1.29 0.00 0.00 177.43 175.74 1dxu h PHE 98 N 0.00 0.85 -0.28 1.19 -1.00 -1.61 -2.27 116.94 113.82 1dxu h PHE 98 Ca -0.00 -0.12 -0.08 0.00 2.81 0.00 0.00 57.97 60.58 1dxu h PHE 98 Cb 0.21 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.52 1dxu h PHE 98 CO 0.00 0.78 -0.18 1.57 -1.61 0.00 0.00 178.31 178.88 1dxu h LYS 99 N 0.75 0.51 -0.17 1.51 2.10 -1.63 -1.05 116.57 118.59 1dxu h LYS 99 Ca 0.15 -0.17 -0.08 0.00 -2.00 0.00 0.00 60.65 58.56 1dxu h LYS 99 Cb 0.44 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.73 1dxu h LYS 99 CO 0.02 0.67 -0.19 -0.07 -2.00 0.00 0.00 179.45 177.87 1dxu h LEU 100 N 0.46 0.46 -0.59 7.07 3.38 -1.51 -1.94 115.31 122.64 1dxu h LEU 100 Ca 0.08 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 1dxu h LEU 100 Cb 0.57 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1dxu h LEU 100 CO 0.04 0.86 0.19 0.25 0.09 0.00 0.00 178.44 179.87 1dxu h LEU 101 N 0.07 0.85 -0.71 1.67 6.46 -1.36 -2.10 115.31 120.19 1dxu h LEU 101 Ca 0.02 -0.20 0.05 0.00 -0.12 0.00 0.00 57.88 57.63 1dxu h LEU 101 Cb 0.74 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 40.40 1dxu h LEU 101 CO 0.05 0.82 0.42 0.28 -0.62 0.00 0.00 178.44 179.39 1dxu h SER 102 N 0.83 0.64 -0.26 1.25 0.02 -1.12 0.17 113.55 115.08 1dxu h SER 102 Ca 0.19 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1dxu h SER 102 Cb 0.27 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1dxu h SER 102 CO -0.01 0.42 0.16 -0.74 -1.14 0.00 0.00 176.83 175.53 1dxu h HIS 103 N 0.78 0.34 -0.16 3.45 -0.00 -1.24 -1.02 115.15 117.31 1dxu h HIS 103 Ca 0.31 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.60 1dxu h HIS 103 Cb 0.14 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 1dxu h HIS 103 CO -0.06 0.24 -0.25 0.00 -0.00 0.00 0.00 177.93 177.87 1dxu h LEU 105 N 0.25 0.94 -0.64 0.00 5.85 -0.39 -1.71 115.31 119.62 1dxu h LEU 105 Ca 0.04 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1dxu h LEU 105 Cb 0.58 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1dxu h LEU 105 CO 0.04 1.02 0.38 0.25 -0.34 0.00 0.00 178.44 179.80 1dxu h LEU 106 N 0.83 0.77 -0.66 2.25 5.85 -0.67 -0.37 115.31 123.31 1dxu h LEU 106 Ca 0.15 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1dxu h LEU 106 Cb 0.54 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1dxu h LEU 106 CO 0.03 0.60 0.29 0.58 -0.34 0.00 0.00 178.44 179.60 1dxu h VAL 107 N 0.87 1.23 -0.14 1.05 2.07 -1.04 0.65 116.25 120.94 1dxu h VAL 107 Ca 0.23 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1dxu h VAL 107 Cb -0.02 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1dxu h VAL 107 CO -0.04 0.28 0.07 0.74 0.02 0.00 0.00 177.57 178.64 1dxu h THR 108 N 0.93 1.13 -0.25 2.57 2.02 -0.84 -1.09 112.91 117.38 1dxu h THR 108 Ca 0.22 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1dxu h THR 108 Cb 0.17 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1dxu h THR 108 CO -0.02 0.12 0.16 -0.07 0.37 0.00 0.00 175.52 176.08 1dxu h LEU 109 N 0.10 0.29 -0.89 2.58 4.07 -0.93 -2.34 115.31 118.18 1dxu h LEU 109 Ca 0.05 -0.02 0.09 0.00 0.08 0.00 0.00 57.88 58.08 1dxu h LEU 109 Cb 0.13 -0.07 -0.07 0.00 1.08 0.00 0.00 40.66 41.72 1dxu h LEU 109 CO -0.01 0.22 0.54 0.00 -1.08 0.00 0.00 178.44 178.11 1dxu h ALA 110 N 1.08 1.28 0.00 1.53 0.00 -0.56 0.47 119.26 123.06 1dxu h ALA 110 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1dxu h ALA 110 Cb -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1dxu h ALA 110 CO -0.02 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.43 1dxu h ALA 111 N 1.47 1.00 0.00 0.00 0.00 -0.77 -3.29 119.26 117.67 1dxu h ALA 111 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1dxu h ALA 111 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1dxu h ALA 111 CO -0.23 0.00 -0.90 0.72 0.00 0.00 0.00 179.25 178.84 1dxu n HIS 112 N -2.97 0.00 -3.35 0.00 -0.00 -0.70 -4.78 115.22 103.42 1dxu n HIS 112 Ca 0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.46 1dxu n HIS 112 Cb 0.32 -0.10 -0.07 0.00 -0.00 0.00 0.00 29.99 30.14 1dxu n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1dxu n LEU 113 N -1.50 3.75 -0.18 2.41 4.77 0.07 -4.92 117.00 121.40 1dxu n LEU 113 Ca -0.00 -5.46 -0.01 0.00 -0.03 0.00 0.00 56.01 50.51 1dxu n LEU 113 Cb 0.18 -0.61 0.08 0.00 -2.33 0.00 0.00 43.42 40.75 1dxu n LEU 113 CO 0.18 2.10 0.92 1.55 -1.33 0.00 0.00 177.39 180.81 1dxu h PRO 114 N 4.00 0.26 -0.23 3.23 0.13 -1.85 -1.78 132.00 135.76 1dxu h PRO 114 Ca 0.19 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 65.13 1dxu h PRO 114 Cb 0.65 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 1dxu h PRO 114 CO 0.82 0.17 -0.53 0.00 -0.23 0.00 0.00 178.00 178.23 1dxu h ALA 115 N 1.42 0.62 0.00 -0.56 0.00 -1.95 -3.33 119.26 115.46 1dxu h ALA 115 Ca 0.28 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1dxu h ALA 115 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1dxu h ALA 115 CO -0.34 0.68 -0.76 0.39 0.00 0.00 0.00 179.25 179.22 1dxu n GLU 116 N -3.98 0.19 -2.06 0.00 4.71 -1.07 -4.66 120.64 113.77 1dxu n GLU 116 Ca -0.03 0.02 -0.41 0.00 -0.01 0.00 0.00 57.16 56.73 1dxu n GLU 116 Cb 0.61 -1.59 -0.00 0.00 -1.01 0.00 0.00 31.44 29.44 1dxu n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1dxu n PHE 117 N -1.85 2.77 -2.18 -0.32 7.35 -0.69 -4.76 117.46 117.77 1dxu n PHE 117 Ca 0.03 -2.84 -0.28 0.00 -0.76 0.00 0.00 57.45 53.60 1dxu n PHE 117 Cb 0.40 -1.98 0.03 0.00 0.35 0.00 0.00 39.48 38.29 1dxu n PHE 117 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1dxu s THR 118 N 0.02 3.87 0.21 -2.13 2.01 -1.26 -4.80 115.64 113.56 1dxu s THR 118 Ca 0.49 0.30 -0.09 0.00 0.31 0.00 0.00 61.69 62.70 1dxu s THR 118 Cb 0.14 -3.56 0.14 0.00 0.01 0.00 0.00 72.50 69.24 1dxu s THR 118 CO -0.05 -0.65 1.78 -0.65 -0.69 0.00 0.00 174.62 174.36 1dxu h PRO 119 N -0.31 0.54 -0.55 4.92 0.11 -1.99 0.14 132.00 134.85 1dxu h PRO 119 Ca -0.45 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.57 1dxu h PRO 119 Cb 1.24 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1dxu h PRO 119 CO 0.62 0.35 0.12 0.00 -0.21 0.00 0.00 178.00 178.88 1dxu h ALA 120 N 1.38 0.73 -0.39 -0.75 0.00 -1.97 -1.00 119.26 117.26 1dxu h ALA 120 Ca 0.30 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1dxu h ALA 120 Cb 0.28 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1dxu h ALA 120 CO -0.24 0.44 0.01 0.28 0.00 0.00 0.00 179.25 179.74 1dxu h VAL 121 N 0.78 1.26 -0.21 0.00 2.07 -1.72 -1.83 116.25 116.59 1dxu h VAL 121 Ca 0.17 -0.99 0.06 0.00 0.82 0.00 0.00 66.70 66.76 1dxu h VAL 121 Cb 0.36 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 1dxu h VAL 121 CO 0.00 0.33 -0.19 -0.74 0.02 0.00 0.00 177.57 177.00 1dxu h HIS 122 N 0.50 -0.48 -0.48 1.57 6.17 -0.56 0.26 115.15 122.14 1dxu h HIS 122 Ca 0.11 0.03 0.05 0.00 0.71 0.00 0.00 60.37 61.27 1dxu h HIS 122 Cb 0.46 0.24 -0.05 0.00 2.52 0.00 0.00 27.41 30.59 1dxu h HIS 122 CO 0.04 -0.26 0.22 0.00 0.71 0.00 0.00 177.93 178.63 1dxu h ALA 123 N 0.91 0.60 -0.63 5.26 0.00 -0.97 -0.94 119.26 123.49 1dxu h ALA 123 Ca 0.13 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1dxu h ALA 123 Cb 0.38 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1dxu h ALA 123 CO -0.33 -0.15 0.15 0.77 0.00 0.00 0.00 179.25 179.69 1dxu h SER 124 N 0.43 0.95 -0.50 0.00 0.02 -0.68 -1.93 113.55 111.84 1dxu h SER 124 Ca 0.22 -0.23 -0.11 0.00 -0.84 0.00 0.00 61.79 60.82 1dxu h SER 124 Cb 0.17 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1dxu h SER 124 CO -0.18 0.94 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.27 1dxu h LEU 125 N 0.92 0.98 -0.45 5.07 3.38 -0.14 -0.09 115.31 124.99 1dxu h LEU 125 Ca 0.20 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1dxu h LEU 125 Cb 0.36 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1dxu h LEU 125 CO 0.00 1.10 0.29 -0.78 0.09 0.00 0.00 178.44 179.13 1dxu h ASP 126 N 0.88 0.48 -0.49 -0.43 3.58 -0.96 0.53 116.42 120.01 1dxu h ASP 126 Ca 0.14 -0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.54 1dxu h ASP 126 Cb 0.66 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 1dxu h ASP 126 CO 0.05 0.35 0.15 0.11 -2.88 0.00 0.00 179.24 177.01 1dxu h LYS 127 N 0.58 0.77 -0.09 0.28 1.57 -1.18 -1.36 116.57 117.14 1dxu h LYS 127 Ca 0.17 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1dxu h LYS 127 Cb -0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1dxu h LYS 127 CO -0.05 0.73 -0.04 0.35 -0.57 0.00 0.00 179.45 179.86 1dxu h PHE 128 N 0.67 -0.10 -0.40 -1.35 3.57 -0.43 -0.43 116.94 118.47 1dxu h PHE 128 Ca 0.16 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1dxu h PHE 128 Cb 0.28 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1dxu h PHE 128 CO 0.02 -0.07 0.12 -0.07 -2.23 0.00 0.00 178.31 176.07 1dxu h LEU 129 N -0.03 0.53 -0.67 0.59 3.38 -0.76 -0.36 115.31 118.00 1dxu h LEU 129 Ca 0.05 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1dxu h LEU 129 Cb 0.11 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1dxu h LEU 129 CO -0.12 0.52 0.23 0.00 0.09 0.00 0.00 178.44 179.17 1dxu h ALA 130 N 1.56 0.87 -0.33 1.53 0.00 -0.75 -1.25 119.26 120.89 1dxu h ALA 130 Ca 0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1dxu h ALA 130 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1dxu h ALA 130 CO -0.01 0.53 0.00 0.77 0.00 0.00 0.00 179.25 180.54 1dxu h SER 131 N 0.96 0.57 -0.13 0.00 0.02 -0.29 -0.32 113.55 114.35 1dxu h SER 131 Ca 0.22 -0.31 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1dxu h SER 131 Cb 0.26 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1dxu h SER 131 CO -0.01 0.73 0.03 0.58 -1.14 0.00 0.00 176.83 177.02 1dxu h VAL 132 N 0.38 0.95 -0.62 2.27 2.07 -0.93 -0.99 116.25 119.39 1dxu h VAL 132 Ca 0.09 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.66 1dxu h VAL 132 Cb 0.44 0.86 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1dxu h VAL 132 CO 0.02 0.02 0.30 0.28 0.02 0.00 0.00 177.57 178.20 1dxu h SER 133 N 0.08 0.40 -0.44 0.57 0.02 -1.03 0.37 113.55 113.53 1dxu h SER 133 Ca 0.06 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1dxu h SER 133 Cb 0.05 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1dxu h SER 133 CO -0.07 0.25 0.29 0.74 -1.14 0.00 0.00 176.83 176.90 1dxu h THR 134 N 0.55 1.12 -0.54 -2.27 2.02 -0.62 -2.00 112.91 111.17 1dxu h THR 134 Ca 0.29 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 1dxu h THR 134 Cb 0.26 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1dxu h THR 134 CO -0.22 0.11 0.22 0.58 0.37 0.00 0.00 175.52 176.58 1dxu h VAL 135 N 0.59 1.22 0.00 3.16 2.07 -0.48 -1.40 116.25 121.42 1dxu h VAL 135 Ca 0.16 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1dxu h VAL 135 Cb -0.06 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1dxu h VAL 135 CO -0.03 0.26 -0.03 -0.07 0.02 0.00 0.00 177.57 177.72 1dxu h LEU 136 N 0.73 0.00 -0.62 2.57 3.38 -0.62 -2.93 115.31 117.82 1dxu h LEU 136 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1dxu h LEU 136 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1dxu h LEU 136 CO -0.02 0.03 -0.63 0.41 0.09 0.00 0.00 178.44 178.32 1dxu n THR 137 N -3.15 0.00 -0.12 0.22 -1.04 -0.78 -4.47 114.28 104.95 1dxu n THR 137 Ca -0.00 -0.19 0.12 0.00 -2.04 0.00 0.00 64.05 61.94 1dxu n THR 137 Cb 0.28 1.15 0.48 0.00 -1.82 0.00 0.00 70.33 70.42 1dxu n THR 137 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1dxu h SER 138 N 1.45 0.42 -0.62 8.00 0.02 -1.06 -2.79 113.55 118.98 1dxu h SER 138 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1dxu h SER 138 Cb 0.62 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1dxu h SER 138 CO 0.00 0.25 0.00 0.29 -1.14 0.00 0.00 176.83 176.23 1dxu n LYS 139 N -4.48 3.49 -0.03 3.45 5.02 -1.26 -4.57 118.16 119.78 1dxu n LYS 139 Ca 0.11 -2.80 0.03 0.00 -2.02 0.00 0.00 58.31 53.64 1dxu n LYS 139 Cb 0.38 -1.80 0.39 0.00 -0.02 0.00 0.00 35.03 33.98 1dxu n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1dxu h TYR 140 N 3.84 0.58 0.00 2.13 -1.99 -1.82 -3.46 116.97 116.26 1dxu h TYR 140 Ca 0.00 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1dxu h TYR 140 Cb 1.33 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.87 1dxu h TYR 140 CO 0.67 0.38 0.00 2.89 -0.00 0.00 0.00 178.16 182.10