#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ygd n HIS 2 N 0.00 2.45 -3.39 2.03 -0.00 -1.26 -4.89 115.22 110.16 1ygd n HIS 2 Ca 0.00 -2.68 -0.38 0.00 -0.00 0.00 0.00 57.72 54.66 1ygd n HIS 2 Cb 0.00 -2.25 -0.07 0.00 -0.00 0.00 0.00 29.99 27.66 1ygd n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1ygd s LEU 3 N 0.83 4.17 0.33 0.27 1.43 -1.26 -5.06 118.68 119.39 1ygd s LEU 3 Ca 0.56 0.55 -0.28 0.00 -1.03 0.00 0.00 54.13 53.93 1ygd s LEU 3 Cb 0.15 -2.53 -0.09 0.00 0.03 0.00 0.00 46.19 43.75 1ygd s LEU 3 CO -0.04 -0.06 1.15 -0.89 0.23 0.00 0.00 176.35 176.73 1ygd s THR 4 N 1.20 3.30 0.19 5.49 2.01 -1.26 -4.71 115.64 121.86 1ygd s THR 4 Ca 0.20 1.23 -0.23 0.00 0.31 0.00 0.00 61.69 63.19 1ygd s THR 4 Cb -0.15 -3.75 0.10 0.00 0.01 0.00 0.00 72.50 68.71 1ygd s THR 4 CO 0.08 0.24 1.56 -0.65 -0.69 0.00 0.00 174.62 175.15 1ygd h PRO 5 N 3.37 -0.10 0.00 4.92 0.11 -1.99 1.61 132.00 139.92 1ygd h PRO 5 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ygd h PRO 5 Cb 1.22 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ygd h PRO 5 CO 0.65 -0.07 0.00 -0.85 -0.21 0.00 0.00 178.00 177.52 1ygd n GLU 6 N -5.41 0.08 -0.10 1.05 0.00 -1.26 -1.49 120.64 113.52 1ygd n GLU 6 Ca 0.05 0.48 -0.18 0.00 0.00 0.00 0.00 57.16 57.50 1ygd n GLU 6 Cb 0.35 -1.70 -0.10 0.00 0.00 0.00 0.00 31.44 29.99 1ygd n GLU 6 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1ygd h GLU 7 N 0.00 0.00 -0.79 3.44 5.08 0.16 -2.73 114.58 119.74 1ygd h GLU 7 Ca 0.00 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 1ygd h GLU 7 Cb 0.12 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.22 1ygd h GLU 7 CO 0.00 0.85 -0.15 0.87 -1.00 0.00 0.00 179.01 179.57 1ygd h LYS 8 N -1.00 0.02 -0.52 2.33 1.57 0.90 -0.27 116.57 119.59 1ygd h LYS 8 Ca -0.26 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.47 1ygd h LYS 8 Cb 1.14 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1ygd h LYS 8 CO -0.16 0.01 0.13 1.03 -0.57 0.00 0.00 179.45 179.90 1ygd h SER 9 N 0.02 0.79 -0.79 0.86 0.87 -1.40 -0.47 113.55 113.42 1ygd h SER 9 Ca 0.39 -0.23 0.06 0.00 -1.23 0.00 0.00 61.79 60.78 1ygd h SER 9 Cb 0.63 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.32 1ygd h SER 9 CO -0.79 0.81 0.48 0.00 -0.53 0.00 0.00 176.83 176.80 1ygd h ALA 10 N 1.01 1.08 0.56 6.23 0.00 -0.79 -2.08 119.26 125.27 1ygd h ALA 10 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1ygd h ALA 10 Cb 0.33 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ygd h ALA 10 CO 0.00 0.20 -0.27 0.28 0.00 0.00 0.00 179.25 179.46 1ygd h VAL 11 N 0.87 0.00 -0.42 0.00 2.07 -0.65 -3.11 116.25 115.00 1ygd h VAL 11 Ca 0.35 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.82 1ygd h VAL 11 Cb 0.18 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.86 1ygd h VAL 11 CO -0.18 0.00 -0.44 0.74 0.02 0.00 0.00 177.57 177.71 1ygd h THR 12 N -0.87 0.10 -0.66 2.57 2.02 -1.03 -1.85 112.91 113.19 1ygd h THR 12 Ca -0.08 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.23 1ygd h THR 12 Cb 0.57 0.10 -0.09 0.00 -1.74 0.00 0.00 68.15 66.99 1ygd h THR 12 CO 0.13 0.00 0.18 0.00 0.37 0.00 0.00 175.52 176.19 1ygd h ALA 13 N 0.41 0.83 -0.17 6.16 0.00 -1.49 -2.20 119.26 122.81 1ygd h ALA 13 Ca 0.14 0.13 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 1ygd h ALA 13 Cb 0.58 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1ygd h ALA 13 CO -0.59 -0.29 -0.52 1.25 0.00 0.00 0.00 179.25 179.11 1ygd h LEU 14 N 0.30 0.51 -0.90 0.00 5.85 -1.33 -3.13 115.31 116.62 1ygd h LEU 14 Ca 0.35 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1ygd h LEU 14 Cb 0.54 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 1ygd h LEU 14 CO -0.42 0.94 0.49 -0.25 -0.34 0.00 0.00 178.44 178.85 1ygd h TRP 15 N 0.36 1.23 0.00 1.25 2.91 -0.75 -2.48 115.95 118.48 1ygd h TRP 15 Ca 0.01 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.00 1ygd h TRP 15 Cb 1.03 -0.39 0.00 0.00 -0.51 0.00 0.00 29.16 29.29 1ygd h TRP 15 CO 0.04 0.85 0.15 0.78 -1.03 0.00 0.00 178.44 179.23 1ygd h GLY 16 N 1.25 0.00 -2.46 2.65 0.00 -1.40 0.94 103.07 104.06 1ygd h GLY 16 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1ygd h GLY 16 CO -0.05 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.77 1ygd n LYS 17 N -2.28 3.57 -3.44 4.80 5.02 -0.93 -4.99 118.16 119.91 1ygd n LYS 17 Ca -0.01 -2.79 -0.37 0.00 -2.02 0.00 0.00 58.31 53.11 1ygd n LYS 17 Cb 0.18 -1.84 -0.06 0.00 -0.02 0.00 0.00 35.03 33.29 1ygd n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ygd s VAL 18 N -2.11 5.19 -0.89 -0.18 1.01 0.32 -5.01 120.40 118.72 1ygd s VAL 18 Ca 0.45 0.79 -0.22 0.00 0.00 0.00 0.00 61.98 63.00 1ygd s VAL 18 Cb 0.31 -3.73 0.08 0.00 0.00 0.00 0.00 36.38 33.04 1ygd s VAL 18 CO 0.18 0.41 1.23 0.21 0.00 0.00 0.00 175.10 177.14 1ygd s ASN 19 N 0.12 6.45 0.32 3.32 3.84 -1.26 -4.88 114.94 122.85 1ygd s ASN 19 Ca 0.22 -1.46 0.08 0.00 0.21 0.00 0.00 52.86 51.92 1ygd s ASN 19 Cb -0.15 -2.48 0.82 0.00 -0.55 0.00 0.00 41.25 38.89 1ygd s ASN 19 CO 0.09 -1.38 1.76 0.58 -2.79 0.00 0.00 177.10 175.36 1ygd h VAL 20 N 6.23 0.64 -0.53 -5.21 2.07 -1.95 0.05 116.25 117.55 1ygd h VAL 20 Ca 0.04 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.29 1ygd h VAL 20 Cb 1.03 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1ygd h VAL 20 CO 1.26 0.12 0.14 0.44 0.02 0.00 0.00 177.57 179.55 1ygd h ASP 21 N 0.67 0.79 0.05 0.57 5.19 -1.96 -1.57 116.42 120.16 1ygd h ASP 21 Ca 0.60 -0.22 -0.12 0.00 -0.62 0.00 0.00 57.03 56.66 1ygd h ASP 21 Cb 1.05 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 40.37 1ygd h ASP 21 CO -0.40 0.80 -0.52 -0.33 -3.12 0.00 0.00 179.24 175.67 1ygd h GLU 22 N 0.73 0.27 -0.40 3.56 5.08 -1.76 -3.21 114.58 118.84 1ygd h GLU 22 Ca 0.17 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 1ygd h GLU 22 Cb 0.31 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1ygd h GLU 22 CO -0.00 1.09 -0.04 0.28 -1.00 0.00 0.00 179.01 179.34 1ygd h VAL 23 N -0.40 1.27 0.06 3.13 2.07 -1.06 -1.74 116.25 119.57 1ygd h VAL 23 Ca -0.08 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.37 1ygd h VAL 23 Cb 1.31 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 1ygd h VAL 23 CO 0.10 0.37 -0.15 1.23 0.02 0.00 0.00 177.57 179.13 1ygd h GLY 24 N 0.55 -0.25 0.95 2.17 0.00 -1.44 -0.65 103.07 104.40 1ygd h GLY 24 Ca 0.11 0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.64 1ygd h GLY 24 CO 0.03 -0.15 0.62 -1.33 0.00 0.00 0.00 176.54 175.71 1ygd h GLY 25 N -0.29 1.35 2.00 4.60 0.00 -1.53 -2.07 103.07 107.13 1ygd h GLY 25 Ca 0.03 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 1ygd h GLY 25 CO -0.11 0.44 -0.27 0.83 0.00 0.00 0.00 176.54 177.43 1ygd h GLU 26 N 1.23 0.00 0.10 4.80 5.08 -1.04 -0.84 114.58 123.91 1ygd h GLU 26 Ca 0.36 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1ygd h GLU 26 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1ygd h GLU 26 CO -0.10 0.27 -0.05 0.00 -1.00 0.00 0.00 179.01 178.14 1ygd h ALA 27 N 1.73 -0.31 -0.78 3.43 0.00 -0.46 -0.88 119.26 121.99 1ygd h ALA 27 Ca -0.00 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1ygd h ALA 27 Cb 0.95 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.69 1ygd h ALA 27 CO 0.04 -0.30 0.33 1.25 0.00 0.00 0.00 179.25 180.57 1ygd h LEU 28 N -0.40 0.32 0.15 0.00 5.85 -1.52 -1.26 115.31 118.45 1ygd h LEU 28 Ca -0.01 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1ygd h LEU 28 Cb 0.10 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1ygd h LEU 28 CO 0.02 0.12 -0.41 1.23 -0.34 0.00 0.00 178.44 179.06 1ygd h GLY 29 N 0.47 -0.84 2.00 3.75 0.00 -1.23 -2.46 103.07 104.77 1ygd h GLY 29 Ca 0.43 0.49 -0.01 0.00 0.00 0.00 0.00 47.33 48.24 1ygd h GLY 29 CO -0.41 -0.27 -0.03 3.21 0.00 0.00 0.00 176.54 179.04 1ygd h ARG 30 N -0.66 0.00 -0.18 4.80 3.08 -0.05 -2.35 114.38 119.02 1ygd h ARG 30 Ca 0.02 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1ygd h ARG 30 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1ygd h ARG 30 CO -0.22 0.03 -0.34 1.25 -1.07 0.00 0.00 179.97 179.62 1ygd h LEU 31 N 0.00 0.60 -1.00 3.04 5.85 -0.85 0.31 115.31 123.25 1ygd h LEU 31 Ca -0.00 -0.55 -0.09 0.00 0.84 0.00 0.00 57.88 58.08 1ygd h LEU 31 Cb 0.08 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1ygd h LEU 31 CO 0.00 1.03 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.77 1ygd h LEU 32 N 0.19 0.35 0.04 2.25 3.38 -1.14 0.19 115.31 120.57 1ygd h LEU 32 Ca 0.01 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1ygd h LEU 32 Cb 0.93 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1ygd h LEU 32 CO 0.08 0.65 -0.29 0.58 0.09 0.00 0.00 178.44 179.55 1ygd h VAL 33 N 0.31 1.68 -0.01 1.22 2.07 -1.34 -3.03 116.25 117.14 1ygd h VAL 33 Ca 0.04 -2.40 -0.15 0.00 0.82 0.00 0.00 66.70 65.01 1ygd h VAL 33 Cb 0.69 3.30 -0.02 0.00 -1.52 0.00 0.00 31.29 33.74 1ygd h VAL 33 CO 0.05 0.63 -0.70 0.58 0.02 0.00 0.00 177.57 178.15 1ygd h VAL 34 N -0.81 1.48 -2.10 2.57 2.07 -0.42 -3.35 116.25 115.70 1ygd h VAL 34 Ca -0.05 -2.34 -0.58 0.00 0.82 0.00 0.00 66.70 64.54 1ygd h VAL 34 Cb 1.20 2.26 -0.40 0.00 -1.52 0.00 0.00 31.29 32.83 1ygd h VAL 34 CO 0.04 0.67 -0.86 -1.22 0.02 0.00 0.00 177.57 176.22 1ygd n TYR 35 N -3.73 1.57 -0.36 1.57 4.01 0.05 -4.97 117.16 115.31 1ygd n TYR 35 Ca -0.01 -3.85 0.30 0.00 -0.16 0.00 0.00 57.90 54.17 1ygd n TYR 35 Cb 0.68 -0.45 0.61 0.00 -0.31 0.00 0.00 39.34 39.87 1ygd n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1ygd h PRO 36 N 4.09 0.21 -1.27 -0.72 0.11 -1.67 0.15 132.00 132.91 1ygd h PRO 36 Ca 0.13 -0.01 0.37 0.00 0.11 0.00 0.00 66.00 66.60 1ygd h PRO 36 Cb 0.77 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.79 1ygd h PRO 36 CO 0.64 0.14 0.97 0.93 -0.21 0.00 0.00 178.00 180.48 1ygd h GLU 37 N 0.22 0.00 0.00 1.05 3.07 -1.91 1.21 114.58 118.23 1ygd h GLU 37 Ca 0.64 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 1ygd h GLU 37 Cb 1.97 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.88 1ygd h GLU 37 CO -0.24 0.00 0.00 0.25 -1.40 0.00 0.00 179.01 177.62 1ygd n THR 38 N -4.00 0.53 0.19 1.13 -2.24 0.53 -2.82 114.28 107.60 1ygd n THR 38 Ca 0.28 0.13 0.05 0.00 -2.27 0.00 0.00 64.05 62.24 1ygd n THR 38 Cb 1.38 -0.80 0.40 0.00 -2.10 0.00 0.00 70.33 69.21 1ygd n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1ygd h GLN 39 N 0.00 0.00 -1.16 -0.78 4.20 0.13 -3.05 115.11 114.45 1ygd h GLN 39 Ca 0.00 0.00 0.38 0.00 0.06 0.00 0.00 58.65 59.09 1ygd h GLN 39 Cb 0.27 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.92 1ygd h GLN 39 CO 0.00 0.35 0.71 0.07 -0.67 0.00 0.00 178.83 179.30 1ygd h ARG 40 N 0.00 0.17 0.00 1.46 0.11 -1.68 0.38 114.38 114.82 1ygd h ARG 40 Ca -0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1ygd h ARG 40 Cb 0.72 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.76 1ygd h ARG 40 CO 0.05 0.11 -0.01 1.19 0.10 0.00 0.00 179.97 181.41 1ygd n PHE 41 N -4.85 0.28 -0.71 4.08 3.72 -1.15 -3.90 117.46 114.93 1ygd n PHE 41 Ca 0.34 0.08 0.05 0.00 -0.05 0.00 0.00 57.45 57.88 1ygd n PHE 41 Cb 1.23 -0.63 0.08 0.00 -0.94 0.00 0.00 39.48 39.21 1ygd n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1ygd n PHE 42 N -1.73 0.00 -0.15 1.38 3.72 0.13 -4.81 117.46 116.00 1ygd n PHE 42 Ca 0.07 -0.73 0.28 0.00 -0.05 0.00 0.00 57.45 57.01 1ygd n PHE 42 Cb 0.37 -0.10 0.61 0.00 -0.94 0.00 0.00 39.48 39.42 1ygd n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1ygd h GLU 43 N 0.00 0.00 -0.00 -1.08 5.08 -1.63 0.59 114.58 117.54 1ygd h GLU 43 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1ygd h GLU 43 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1ygd h GLU 43 CO 0.00 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.88 1ygd n SER 44 N -3.55 0.02 0.12 1.42 3.41 -1.26 -3.29 113.62 110.49 1ygd n SER 44 Ca 0.19 -1.09 0.12 0.00 -0.26 0.00 0.00 58.87 57.84 1ygd n SER 44 Cb 1.22 -0.00 0.21 0.00 -0.26 0.00 0.00 64.21 65.38 1ygd n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1ygd h PHE 45 N 0.04 0.00 0.00 7.33 -1.00 -0.19 -3.50 116.94 119.61 1ygd h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1ygd h PHE 45 Cb 0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1ygd h PHE 45 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1ygd n GLY 46 N 1.25 0.57 3.58 -1.45 0.00 -1.21 -4.82 105.19 103.11 1ygd n GLY 46 Ca 0.04 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 1ygd n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ygd s ASP 47 N -4.00 5.16 -0.15 1.61 2.15 -1.26 -4.76 116.67 115.43 1ygd s ASP 47 Ca 0.00 1.31 0.18 0.00 0.43 0.00 0.00 52.55 54.46 1ygd s ASP 47 Cb 0.00 -2.51 0.32 0.00 -0.30 0.00 0.00 42.92 40.43 1ygd s ASP 47 CO 0.00 -2.28 1.17 0.18 -0.17 0.00 0.00 175.17 174.07 1ygd n LEU 48 N 13.01 2.46 -0.09 -1.34 4.77 -1.26 -4.24 117.00 130.30 1ygd n LEU 48 Ca 0.30 -3.22 -0.10 0.00 -0.03 0.00 0.00 56.01 52.95 1ygd n LEU 48 Cb 0.50 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 1ygd n LEU 48 CO 0.69 0.82 0.88 0.28 -1.33 0.00 0.00 177.39 178.73 1ygd h SER 49 N 0.22 0.40 -4.15 -1.43 0.02 -1.97 -3.46 113.55 103.18 1ygd h SER 49 Ca 0.00 -0.17 -0.41 0.00 -0.84 0.00 0.00 61.79 60.37 1ygd h SER 49 Cb 1.02 -0.10 -0.19 0.00 0.14 0.00 0.00 62.40 63.26 1ygd h SER 49 CO 0.01 0.47 -0.76 0.42 -1.14 0.00 0.00 176.83 175.82 1ygd s THR 50 N -5.53 1.28 0.24 -2.27 -4.23 -1.26 -5.04 115.64 98.84 1ygd s THR 50 Ca -0.13 -1.64 -0.11 0.00 -1.18 0.00 0.00 61.69 58.63 1ygd s THR 50 Cb 0.09 -1.44 0.34 0.00 1.34 0.00 0.00 72.50 72.83 1ygd s THR 50 CO 0.73 -0.38 1.59 -0.65 -0.54 0.00 0.00 174.62 175.37 1ygd h PRO 51 N 3.67 -0.00 -0.61 3.99 0.11 -1.99 0.27 132.00 137.44 1ygd h PRO 51 Ca -0.40 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.72 1ygd h PRO 51 Cb 1.19 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1ygd h PRO 51 CO 0.49 -0.00 0.40 -0.44 -0.21 0.00 0.00 178.00 178.24 1ygd h ASP 52 N -0.00 0.69 0.04 -2.05 3.32 -1.99 -1.87 116.42 114.56 1ygd h ASP 52 Ca 0.39 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 1ygd h ASP 52 Cb 0.60 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1ygd h ASP 52 CO -0.84 0.50 -0.02 0.00 -1.72 0.00 0.00 179.24 177.16 1ygd h ALA 53 N 1.62 -0.06 0.26 3.45 0.00 -1.30 -2.57 119.26 120.67 1ygd h ALA 53 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ygd h ALA 53 Cb -0.08 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1ygd h ALA 53 CO -0.05 -0.32 -0.49 0.28 0.00 0.00 0.00 179.25 178.68 1ygd h VAL 54 N -0.49 0.06 0.00 0.00 2.07 -0.99 0.75 116.25 117.65 1ygd h VAL 54 Ca -0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1ygd h VAL 54 Cb 0.44 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1ygd h VAL 54 CO 0.01 0.00 -0.02 0.24 0.02 0.00 0.00 177.57 177.82 1ygd h MET 55 N -0.82 0.00 0.00 1.57 2.07 -1.45 -1.39 114.93 114.91 1ygd h MET 55 Ca -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 1ygd h MET 55 Cb 0.78 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.51 1ygd h MET 55 CO -0.19 0.02 -1.13 0.41 1.07 0.00 0.00 176.91 177.09 1ygd n GLY 56 N -1.16 -1.32 3.64 8.32 0.00 -0.78 -4.90 105.19 108.99 1ygd n GLY 56 Ca -0.03 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1ygd n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ygd s ASN 57 N -4.75 6.19 0.23 1.61 3.84 0.26 -4.89 114.94 117.43 1ygd s ASN 57 Ca -0.00 2.42 -0.06 0.00 0.21 0.00 0.00 52.86 55.42 1ygd s ASN 57 Cb 0.12 -2.53 0.22 0.00 -0.55 0.00 0.00 41.25 38.51 1ygd s ASN 57 CO 0.81 -1.29 1.81 1.55 -2.79 0.00 0.00 177.10 177.18 1ygd h PRO 58 N 11.73 1.16 -0.22 0.43 0.13 -1.88 -1.71 132.00 141.63 1ygd h PRO 58 Ca -0.46 -0.19 -0.07 0.00 -0.87 0.00 0.00 66.00 64.40 1ygd h PRO 58 Cb 1.23 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1ygd h PRO 58 CO 0.95 0.92 -0.17 0.87 -0.23 0.00 0.00 178.00 180.34 1ygd h LYS 59 N 1.13 0.38 0.54 0.86 1.57 -1.90 -1.29 116.57 117.86 1ygd h LYS 59 Ca 0.26 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1ygd h LYS 59 Cb 0.18 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.46 1ygd h LYS 59 CO -0.03 0.55 -0.26 0.28 -0.57 0.00 0.00 179.45 179.43 1ygd h VAL 60 N 0.35 0.42 -0.37 0.50 2.07 -1.75 -2.87 116.25 114.61 1ygd h VAL 60 Ca 0.06 -0.25 0.08 0.00 0.82 0.00 0.00 66.70 67.41 1ygd h VAL 60 Cb 0.51 0.52 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 1ygd h VAL 60 CO 0.03 0.04 -0.17 0.11 0.02 0.00 0.00 177.57 177.61 1ygd h LYS 61 N -0.89 -0.09 -0.90 1.57 1.57 -1.02 -1.42 116.57 115.39 1ygd h LYS 61 Ca -0.07 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1ygd h LYS 61 Cb 0.61 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 1ygd h LYS 61 CO 0.12 -0.06 0.59 0.00 -0.57 0.00 0.00 179.45 179.53 1ygd h ALA 62 N 1.19 1.48 -0.03 3.86 0.00 -1.29 -1.56 119.26 122.91 1ygd h ALA 62 Ca 0.18 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1ygd h ALA 62 Cb 0.38 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ygd h ALA 62 CO -0.44 0.41 -0.75 1.25 0.00 0.00 0.00 179.25 179.72 1ygd h HIS 63 N 1.07 0.26 -0.60 0.00 -0.00 -1.20 -2.26 115.15 112.42 1ygd h HIS 63 Ca 0.38 -0.12 0.01 0.00 -0.00 0.00 0.00 60.37 60.63 1ygd h HIS 63 Cb 0.12 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.47 1ygd h HIS 63 CO -0.00 0.87 0.40 0.78 -0.00 0.00 0.00 177.93 179.97 1ygd h GLY 64 N 1.73 0.85 0.97 5.26 0.00 -0.29 0.35 103.07 111.95 1ygd h GLY 64 Ca -0.02 -0.32 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 1ygd h GLY 64 CO 0.11 0.31 -0.49 1.70 0.00 0.00 0.00 176.54 178.17 1ygd h LYS 65 N 0.82 0.64 -0.41 4.80 3.64 -1.21 -0.72 116.57 124.14 1ygd h LYS 65 Ca 0.22 -0.46 -0.08 0.00 -1.27 0.00 0.00 60.65 59.06 1ygd h LYS 65 Cb -0.09 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1ygd h LYS 65 CO -0.05 1.08 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.90 1ygd h LYS 66 N 0.32 0.71 0.09 1.90 3.64 -0.78 0.15 116.57 122.60 1ygd h LYS 66 Ca -0.01 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1ygd h LYS 66 Cb 1.11 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1ygd h LYS 66 CO 0.11 0.79 -0.04 0.28 -2.27 0.00 0.00 179.45 178.31 1ygd h VAL 67 N 0.65 1.16 0.00 2.00 2.07 -0.27 -2.69 116.25 119.18 1ygd h VAL 67 Ca 0.12 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1ygd h VAL 67 Cb 0.54 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1ygd h VAL 67 CO 0.03 0.24 -0.02 0.25 0.02 0.00 0.00 177.57 178.10 1ygd h LEU 68 N -0.59 0.00 -0.46 2.57 5.85 -1.00 -1.65 115.31 120.03 1ygd h LEU 68 Ca -0.01 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.55 1ygd h LEU 68 Cb 0.49 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1ygd h LEU 68 CO 0.02 0.02 -0.40 1.23 -0.34 0.00 0.00 178.44 178.97 1ygd h GLY 69 N 1.06 0.92 2.00 3.75 0.00 -0.53 -2.22 103.07 108.05 1ygd h GLY 69 Ca -0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 47.33 46.28 1ygd h GLY 69 CO 0.00 0.85 -0.52 0.00 0.00 0.00 0.00 176.54 176.87 1ygd h ALA 70 N 0.85 0.83 0.32 3.60 0.00 -0.99 -3.06 119.26 120.82 1ygd h ALA 70 Ca 0.06 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1ygd h ALA 70 Cb 0.97 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ygd h ALA 70 CO 0.09 0.65 -0.15 0.35 0.00 0.00 0.00 179.25 180.19 1ygd h PHE 71 N 0.00 -0.40 -0.88 0.00 3.04 -1.25 -2.98 116.94 114.47 1ygd h PHE 71 Ca -0.01 -0.01 0.22 0.00 3.98 0.00 0.00 57.97 62.16 1ygd h PHE 71 Cb 1.15 0.13 -0.16 0.00 2.56 0.00 0.00 35.95 39.64 1ygd h PHE 71 CO 0.00 -0.13 0.04 0.77 -2.02 0.00 0.00 178.31 176.97 1ygd h SER 72 N -0.62 -0.37 0.20 0.41 0.02 -1.31 0.64 113.55 112.52 1ygd h SER 72 Ca -0.04 0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1ygd h SER 72 Cb 0.45 0.40 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 1ygd h SER 72 CO 0.07 -0.26 -0.14 0.44 -1.14 0.00 0.00 176.83 175.81 1ygd h ASP 73 N 0.08 0.00 0.64 3.07 3.32 -1.46 -1.68 116.42 120.38 1ygd h ASP 73 Ca 0.52 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.39 1ygd h ASP 73 Cb 1.00 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 1ygd h ASP 73 CO -0.79 0.14 -0.79 1.23 -1.72 0.00 0.00 179.24 177.31 1ygd h GLY 74 N 0.54 0.12 2.00 2.75 0.00 0.42 -2.76 103.07 106.14 1ygd h GLY 74 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1ygd h GLY 74 CO 0.02 0.18 0.00 1.41 0.00 0.00 0.00 176.54 178.15 1ygd h LEU 75 N 0.07 0.00 -0.26 3.11 3.38 -0.48 -0.47 115.31 120.66 1ygd h LEU 75 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ygd h LEU 75 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1ygd h LEU 75 CO 0.11 0.00 -0.61 0.00 0.09 0.00 0.00 178.44 178.03 1ygd n ALA 76 N -2.08 3.85 -0.56 1.53 0.00 -1.07 -4.07 120.51 118.11 1ygd n ALA 76 Ca -0.00 -0.49 0.05 0.00 0.00 0.00 0.00 53.44 53.00 1ygd n ALA 76 Cb 0.26 -0.96 0.07 0.00 0.00 0.00 0.00 19.45 18.82 1ygd n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ygd n HIS 77 N -1.09 0.00 -0.56 0.00 8.25 -0.41 -4.87 115.22 116.54 1ygd n HIS 77 Ca 0.07 -0.74 0.42 0.00 -0.26 0.00 0.00 57.72 57.21 1ygd n HIS 77 Cb 0.36 -0.10 0.65 0.00 1.12 0.00 0.00 29.99 32.02 1ygd n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ygd n LEU 78 N -0.95 0.01 0.15 2.41 4.77 -0.32 0.14 117.00 123.21 1ygd n LEU 78 Ca 0.08 0.80 0.03 0.00 -0.03 0.00 0.00 56.01 56.89 1ygd n LEU 78 Cb 0.45 -0.40 0.16 0.00 -2.33 0.00 0.00 43.42 41.30 1ygd n LEU 78 CO 0.00 -0.81 0.53 0.44 -1.33 0.00 0.00 177.39 176.22 1ygd h ASP 79 N 0.00 0.00 -2.18 -1.43 3.32 -1.89 -3.37 116.42 110.87 1ygd h ASP 79 Ca 0.75 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 57.22 1ygd h ASP 79 Cb 2.98 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 42.14 1ygd h ASP 79 CO -0.02 0.51 -0.96 -3.20 -1.72 0.00 0.00 179.24 173.85 1ygd n ASN 80 N -3.41 0.85 -0.07 6.45 5.15 0.38 -4.73 115.26 119.88 1ygd n ASN 80 Ca 0.01 -2.79 -0.14 0.00 -0.60 0.00 0.00 54.58 51.05 1ygd n ASN 80 Cb 0.65 -0.63 -0.06 0.00 -0.53 0.00 0.00 39.78 39.21 1ygd n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ygd h LEU 81 N 4.45 0.68 -0.63 1.20 3.38 -1.71 -3.02 115.31 119.66 1ygd h LEU 81 Ca 0.14 -0.52 0.13 0.00 0.09 0.00 0.00 57.88 57.72 1ygd h LEU 81 Cb 0.84 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.29 1ygd h LEU 81 CO 0.52 1.06 0.02 0.11 0.09 0.00 0.00 178.44 180.25 1ygd h LYS 82 N 0.31 0.13 0.00 1.13 6.56 -1.92 -1.37 116.57 121.41 1ygd h LYS 82 Ca 0.02 -0.01 -0.11 0.00 -1.06 0.00 0.00 60.65 59.49 1ygd h LYS 82 Cb 0.92 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.54 1ygd h LYS 82 CO 0.08 0.09 -0.55 0.78 -2.06 0.00 0.00 179.45 177.79 1ygd h GLY 83 N 0.14 0.00 1.93 3.86 0.00 -1.95 -2.69 103.07 104.36 1ygd h GLY 83 Ca 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.49 1ygd h GLY 83 CO -0.52 0.00 -0.80 -0.84 0.00 0.00 0.00 176.54 174.37 1ygd h THR 84 N 0.00 1.54 -0.29 4.70 2.02 -1.14 -3.31 112.91 116.42 1ygd h THR 84 Ca -0.01 -2.64 0.00 0.00 0.77 0.00 0.00 66.41 64.53 1ygd h THR 84 Cb 1.02 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.87 1ygd h THR 84 CO 0.07 0.76 0.00 0.49 0.37 0.00 0.00 175.52 177.21 1ygd n PHE 85 N -3.63 0.38 -0.24 3.16 3.72 -0.77 -4.66 117.46 115.42 1ygd n PHE 85 Ca -0.02 -0.30 0.04 0.00 -0.05 0.00 0.00 57.45 57.13 1ygd n PHE 85 Cb 0.76 -0.01 0.17 0.00 -0.94 0.00 0.00 39.48 39.46 1ygd n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ygd h ALA 86 N 2.90 0.96 0.31 4.37 0.00 -1.57 0.25 119.26 126.48 1ygd h ALA 86 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1ygd h ALA 86 Cb 0.75 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1ygd h ALA 86 CO 0.00 -0.25 -0.15 1.15 0.00 0.00 0.00 179.25 180.00 1ygd h THR 87 N 0.38 0.00 -1.83 0.00 2.02 -1.86 -0.94 112.91 110.69 1ygd h THR 87 Ca 0.39 -0.09 0.54 0.00 0.77 0.00 0.00 66.41 68.02 1ygd h THR 87 Cb 0.60 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.92 1ygd h THR 87 CO -0.41 0.00 1.30 -0.07 0.37 0.00 0.00 175.52 176.70 1ygd h LEU 88 N -0.50 0.04 0.31 2.58 4.07 -1.80 0.16 115.31 120.17 1ygd h LEU 88 Ca -0.04 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 1ygd h LEU 88 Cb 0.32 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.09 1ygd h LEU 88 CO 0.07 -0.04 -0.15 -1.28 -1.08 0.00 0.00 178.44 175.96 1ygd h SER 89 N 0.01 -0.35 -1.02 -0.43 0.87 -0.08 -1.19 113.55 111.36 1ygd h SER 89 Ca 0.91 0.01 0.28 0.00 -1.23 0.00 0.00 61.79 61.76 1ygd h SER 89 Cb 3.52 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 65.52 1ygd h SER 89 CO -0.09 0.08 0.71 -0.33 -0.53 0.00 0.00 176.83 176.67 1ygd h GLU 90 N -1.08 0.11 -0.09 2.24 5.08 0.59 -0.89 114.58 120.55 1ygd h GLU 90 Ca -0.04 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 1ygd h GLU 90 Cb 0.32 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.55 1ygd h GLU 90 CO 0.07 0.07 -0.47 1.25 -1.00 0.00 0.00 179.01 178.93 1ygd h LEU 91 N 0.11 0.57 -1.27 1.33 5.85 -0.89 0.43 115.31 121.43 1ygd h LEU 91 Ca 0.51 -0.65 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 1ygd h LEU 91 Cb 1.80 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 1ygd h LEU 91 CO -0.08 1.13 -0.18 0.45 -0.34 0.00 0.00 178.44 179.42 1ygd h HIS 92 N 0.05 0.00 0.00 1.25 3.86 0.03 -2.10 115.15 118.23 1ygd h HIS 92 Ca -0.03 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.85 1ygd h HIS 92 Cb 1.12 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.54 1ygd h HIS 92 CO 0.12 0.18 -1.82 0.00 0.86 0.00 0.00 177.93 177.28 1ygd h ASP 94 N -1.00 0.00 0.00 0.00 3.32 -0.23 -3.30 116.42 115.20 1ygd h ASP 94 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1ygd h ASP 94 Cb 1.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1ygd h ASP 94 CO -0.30 0.16 -0.82 0.29 -1.72 0.00 0.00 179.24 176.85 1ygd n LYS 95 N -3.17 0.68 0.03 3.56 4.01 -0.96 -4.85 118.16 117.46 1ygd n LYS 95 Ca 0.03 0.00 -0.12 0.00 -0.51 0.00 0.00 58.31 57.70 1ygd n LYS 95 Cb 0.54 -0.91 -0.14 0.00 -0.51 0.00 0.00 35.03 34.02 1ygd n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1ygd h LEU 96 N 0.00 0.18 -1.39 -0.35 3.38 -1.50 -3.49 115.31 112.14 1ygd h LEU 96 Ca 0.00 -0.29 -0.19 0.00 0.09 0.00 0.00 57.88 57.49 1ygd h LEU 96 Cb 0.82 -0.06 0.08 0.00 0.09 0.00 0.00 40.66 41.59 1ygd h LEU 96 CO 0.00 1.25 -0.38 1.41 0.09 0.00 0.00 178.44 180.80 1ygd n HIS 97 N -3.30 -1.34 -3.43 1.13 8.25 -0.69 -5.00 115.22 110.84 1ygd n HIS 97 Ca -0.15 0.52 -0.39 0.00 -0.26 0.00 0.00 57.72 57.44 1ygd n HIS 97 Cb 1.03 -3.40 -0.09 0.00 1.12 0.00 0.00 29.99 28.65 1ygd n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ygd s VAL 98 N -3.18 5.21 0.02 1.59 1.01 -0.83 -5.03 120.40 119.20 1ygd s VAL 98 Ca 0.15 0.53 -0.30 0.00 0.00 0.00 0.00 61.98 62.36 1ygd s VAL 98 Cb -0.07 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.56 1ygd s VAL 98 CO 0.39 0.20 1.99 -0.62 0.00 0.00 0.00 175.10 177.06 1ygd s ASP 99 N 1.46 6.39 0.09 3.32 -1.08 -1.26 -4.80 116.67 120.79 1ygd s ASP 99 Ca 0.14 2.63 0.05 0.00 -0.52 0.00 0.00 52.55 54.86 1ygd s ASP 99 Cb -0.15 -2.53 0.29 0.00 -1.46 0.00 0.00 42.92 39.07 1ygd s ASP 99 CO 0.09 -1.11 1.12 -2.65 0.52 0.00 0.00 175.17 173.14 1ygd n PRO 100 N 7.62 0.04 0.23 4.34 -0.02 -1.26 -0.75 135.00 145.20 1ygd n PRO 100 Ca 0.21 0.50 0.06 0.00 -2.02 0.00 0.00 63.50 62.24 1ygd n PRO 100 Cb 0.41 -1.67 0.52 0.00 -0.02 0.00 0.00 33.50 32.74 1ygd n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1ygd h GLU 101 N 0.00 0.00 -0.10 -0.52 4.57 -2.00 -2.30 114.58 114.23 1ygd h GLU 101 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1ygd h GLU 101 Cb 0.11 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1ygd h GLU 101 CO 0.00 0.17 -0.30 -0.91 -1.18 0.00 0.00 179.01 176.79 1ygd h ASN 102 N 0.00 0.18 -0.40 1.04 -0.26 -1.31 -3.13 115.58 111.70 1ygd h ASN 102 Ca -0.00 -0.06 0.07 0.00 -0.56 0.00 0.00 56.30 55.75 1ygd h ASN 102 Cb 0.30 -0.05 -0.09 0.00 -1.06 0.00 0.00 38.32 37.42 1ygd h ASN 102 CO 0.02 0.49 -0.44 -0.26 -1.06 0.00 0.00 177.43 176.18 1ygd h PHE 103 N 0.16 -1.28 -0.75 1.19 0.04 -1.59 -0.01 116.94 114.70 1ygd h PHE 103 Ca 0.02 0.07 0.17 0.00 2.80 0.00 0.00 57.97 61.03 1ygd h PHE 103 Cb 0.62 0.62 -0.12 0.00 2.20 0.00 0.00 35.95 39.27 1ygd h PHE 103 CO 0.01 -0.45 0.15 0.00 -0.60 0.00 0.00 178.31 177.42 1ygd h ARG 104 N -0.34 0.22 -0.29 1.51 -0.00 -1.69 0.59 114.38 114.39 1ygd h ARG 104 Ca 0.13 -0.01 0.06 0.00 -0.50 0.00 0.00 59.98 59.66 1ygd h ARG 104 Cb 0.59 -0.05 -0.07 0.00 0.00 0.00 0.00 29.97 30.44 1ygd h ARG 104 CO -0.57 0.15 -0.14 -0.07 0.00 0.00 0.00 179.97 179.33 1ygd h LEU 105 N 0.23 -0.48 -1.18 3.04 3.38 -1.11 0.15 115.31 119.33 1ygd h LEU 105 Ca 0.43 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.57 1ygd h LEU 105 Cb 0.76 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 1ygd h LEU 105 CO -0.56 -0.18 0.57 0.25 0.09 0.00 0.00 178.44 178.61 1ygd h LEU 106 N -0.11 0.89 -0.68 1.67 5.85 -0.33 -0.59 115.31 122.00 1ygd h LEU 106 Ca 0.15 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1ygd h LEU 106 Cb 0.33 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1ygd h LEU 106 CO -0.35 0.59 0.44 1.23 -0.34 0.00 0.00 178.44 180.00 1ygd h GLY 107 N 1.02 0.98 1.30 3.75 0.00 0.87 0.11 103.07 111.09 1ygd h GLY 107 Ca 0.36 -0.38 -0.26 0.00 0.00 0.00 0.00 47.33 47.05 1ygd h GLY 107 CO -0.12 0.37 -1.02 3.43 0.00 0.00 0.00 176.54 179.20 1ygd h ASN 108 N 0.93 0.81 -0.42 0.19 2.35 -0.54 -1.58 115.58 117.33 1ygd h ASN 108 Ca 0.25 -0.65 0.06 0.00 -0.55 0.00 0.00 56.30 55.41 1ygd h ASN 108 Cb -0.07 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.00 1ygd h ASN 108 CO -0.05 1.45 0.10 0.58 -1.65 0.00 0.00 177.43 177.86 1ygd h VAL 109 N 0.35 0.81 0.37 2.81 2.07 -0.89 -0.26 116.25 121.51 1ygd h VAL 109 Ca -0.12 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1ygd h VAL 109 Cb 1.67 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 1ygd h VAL 109 CO 0.19 0.04 -0.33 0.25 0.02 0.00 0.00 177.57 177.75 1ygd h LEU 110 N 0.24 -0.88 -0.89 2.57 5.85 -0.69 -0.44 115.31 121.07 1ygd h LEU 110 Ca 0.20 0.07 0.21 0.00 0.84 0.00 0.00 57.88 59.20 1ygd h LEU 110 Cb 0.23 0.29 -0.12 0.00 0.37 0.00 0.00 40.66 41.43 1ygd h LEU 110 CO -0.25 -0.48 0.40 0.58 -0.34 0.00 0.00 178.44 178.36 1ygd h VAL 111 N -0.71 0.50 -0.51 1.05 2.07 -0.90 0.50 116.25 118.25 1ygd h VAL 111 Ca -0.03 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1ygd h VAL 111 Cb 0.63 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1ygd h VAL 111 CO -0.04 0.08 0.33 0.00 0.02 0.00 0.00 177.57 177.96 1ygd h VAL 113 N 0.66 0.96 -0.28 0.00 2.07 0.16 0.11 116.25 119.93 1ygd h VAL 113 Ca 0.20 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1ygd h VAL 113 Cb -0.03 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 1ygd h VAL 113 CO -0.06 0.09 0.16 -0.07 0.02 0.00 0.00 177.57 177.71 1ygd h LEU 114 N 0.49 0.33 -2.41 2.57 3.38 -1.07 -1.11 115.31 117.50 1ygd h LEU 114 Ca 0.22 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1ygd h LEU 114 Cb 0.12 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ygd h LEU 114 CO -0.15 0.30 -0.02 0.00 0.09 0.00 0.00 178.44 178.65 1ygd h ALA 115 N 1.05 1.42 0.15 1.53 0.00 -0.63 0.13 119.26 122.90 1ygd h ALA 115 Ca 0.10 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.72 1ygd h ALA 115 Cb 0.03 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.84 1ygd h ALA 115 CO -0.02 0.03 -1.12 1.25 0.00 0.00 0.00 179.25 179.40 1ygd h HIS 116 N 0.00 0.84 0.00 0.00 -0.00 0.35 -2.86 115.15 113.49 1ygd h HIS 116 Ca -0.00 -0.56 -0.22 0.00 -0.00 0.00 0.00 60.37 59.59 1ygd h HIS 116 Cb 0.07 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 27.42 1ygd h HIS 116 CO 0.00 1.42 -0.93 0.45 -0.00 0.00 0.00 177.93 178.87 1ygd h HIS 117 N 0.03 0.50 -0.02 5.26 -0.00 -0.59 -3.37 115.15 116.95 1ygd h HIS 117 Ca -0.18 -0.27 0.00 0.00 -0.00 0.00 0.00 60.37 59.92 1ygd h HIS 117 Cb 1.84 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 29.19 1ygd h HIS 117 CO 0.14 1.09 -0.23 1.19 -0.00 0.00 0.00 177.93 180.13 1ygd n PHE 118 N -3.71 0.00 0.00 2.45 3.72 -0.03 -5.03 117.46 114.86 1ygd n PHE 118 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1ygd n PHE 118 Cb 0.83 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.37 1ygd n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ygd n GLY 119 N 1.25 1.92 0.33 1.37 0.00 -1.08 -0.72 105.19 108.26 1ygd n GLY 119 Ca 0.10 0.15 0.22 0.00 0.00 0.00 0.00 46.02 46.48 1ygd n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ygd h LYS 120 N 0.00 0.19 0.00 1.61 1.79 -1.96 0.36 116.57 118.57 1ygd h LYS 120 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1ygd h LYS 120 Cb 0.00 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1ygd h LYS 120 CO 0.00 0.13 0.00 -1.91 -1.08 0.00 0.00 179.45 176.59 1ygd n GLU 121 N -5.18 0.18 -2.53 3.15 2.13 0.10 -3.46 120.64 115.03 1ygd n GLU 121 Ca 0.29 0.52 -0.42 0.00 0.66 0.00 0.00 57.16 58.22 1ygd n GLU 121 Cb 0.94 -1.93 0.01 0.00 0.27 0.00 0.00 31.44 30.72 1ygd n GLU 121 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1ygd n PHE 122 N -2.29 2.60 -1.83 4.31 7.35 0.13 -4.97 117.46 122.75 1ygd n PHE 122 Ca 0.01 -2.68 -0.32 0.00 -0.76 0.00 0.00 57.45 53.69 1ygd n PHE 122 Cb 0.15 -1.58 0.03 0.00 0.35 0.00 0.00 39.48 38.43 1ygd n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1ygd s THR 123 N -1.75 3.81 0.19 -2.13 -4.23 -1.23 -4.74 115.64 105.57 1ygd s THR 123 Ca 0.40 0.75 -0.22 0.00 -1.18 0.00 0.00 61.69 61.44 1ygd s THR 123 Cb 0.12 -3.34 0.11 0.00 1.34 0.00 0.00 72.50 70.73 1ygd s THR 123 CO -0.00 -0.61 1.56 -0.65 -0.54 0.00 0.00 174.62 174.38 1ygd h PRO 124 N -0.03 -0.11 -0.79 3.99 0.11 -1.95 0.21 132.00 133.43 1ygd h PRO 124 Ca -0.46 0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.81 1ygd h PRO 124 Cb 1.22 0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.26 1ygd h PRO 124 CO 0.57 -0.07 0.36 -1.35 -0.21 0.00 0.00 178.00 177.29 1ygd h PRO 125 N -0.11 0.50 -0.48 1.05 0.11 -2.00 -0.80 132.00 130.27 1ygd h PRO 125 Ca 0.25 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.23 1ygd h PRO 125 Cb 0.56 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.54 1ygd h PRO 125 CO -0.81 0.33 -0.07 0.28 -0.21 0.00 0.00 178.00 177.51 1ygd h VAL 126 N 0.51 1.26 -0.10 3.15 2.07 -1.00 -2.48 116.25 119.64 1ygd h VAL 126 Ca 0.44 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1ygd h VAL 126 Cb 0.65 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1ygd h VAL 126 CO -0.39 0.40 0.05 -0.61 0.02 0.00 0.00 177.57 177.04 1ygd h GLN 127 N 0.77 0.15 -0.55 1.57 4.15 -0.14 -1.57 115.11 119.48 1ygd h GLN 127 Ca 0.13 -0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.63 1ygd h GLN 127 Cb 0.57 -0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.15 1ygd h GLN 127 CO 0.03 0.22 0.10 0.00 -1.93 0.00 0.00 178.83 177.26 1ygd h ALA 128 N 0.92 0.63 -0.84 3.38 0.00 -0.95 0.47 119.26 122.87 1ygd h ALA 128 Ca 0.04 0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1ygd h ALA 128 Cb 0.12 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1ygd h ALA 128 CO -0.00 -0.32 0.49 0.00 0.00 0.00 0.00 179.25 179.42 1ygd h ALA 129 N 1.44 1.18 -0.13 0.00 0.00 -1.08 -1.52 119.26 119.15 1ygd h ALA 129 Ca 0.28 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 55.01 1ygd h ALA 129 Cb 0.41 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ygd h ALA 129 CO -0.38 0.16 -0.72 1.88 0.00 0.00 0.00 179.25 180.18 1ygd h TYR 130 N 0.85 0.82 -0.52 0.00 0.05 0.17 -2.79 116.97 115.55 1ygd h TYR 130 Ca 0.39 -0.35 0.13 0.00 0.05 0.00 0.00 58.73 58.95 1ygd h TYR 130 Cb 0.30 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.89 1ygd h TYR 130 CO -0.05 1.14 0.37 1.96 -1.05 0.00 0.00 178.16 180.53 1ygd h GLN 131 N 0.43 0.12 -0.16 4.88 1.08 0.77 0.11 115.11 122.34 1ygd h GLN 131 Ca -0.03 -0.01 -0.21 0.00 -1.45 0.00 0.00 58.65 56.95 1ygd h GLN 131 Cb 1.32 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 28.73 1ygd h GLN 131 CO 0.14 0.08 -0.73 0.87 -0.95 0.00 0.00 178.83 178.24 1ygd h LYS 132 N 0.13 0.72 -0.11 1.46 1.57 -1.07 -2.63 116.57 116.64 1ygd h LYS 132 Ca 0.25 -0.56 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 1ygd h LYS 132 Cb 0.82 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.23 1ygd h LYS 132 CO -0.03 1.18 -0.07 0.28 -0.57 0.00 0.00 179.45 180.24 1ygd h VAL 133 N 0.50 1.33 -0.86 0.50 2.07 -0.78 -0.74 116.25 118.27 1ygd h VAL 133 Ca -0.04 -1.13 0.10 0.00 0.82 0.00 0.00 66.70 66.45 1ygd h VAL 133 Cb 1.34 1.84 -0.08 0.00 -1.52 0.00 0.00 31.29 32.88 1ygd h VAL 133 CO 0.15 0.32 0.50 0.58 0.02 0.00 0.00 177.57 179.14 1ygd h VAL 134 N -0.12 0.91 0.02 2.57 2.07 -0.95 0.68 116.25 121.42 1ygd h VAL 134 Ca 0.02 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 1ygd h VAL 134 Cb 0.54 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1ygd h VAL 134 CO 0.02 0.15 -0.01 0.00 0.02 0.00 0.00 177.57 177.75 1ygd h ALA 135 N 1.47 -0.02 -0.52 1.67 0.00 -1.40 -1.27 119.26 119.18 1ygd h ALA 135 Ca 0.42 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.24 1ygd h ALA 135 Cb 0.39 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 1ygd h ALA 135 CO -0.25 -0.32 -0.04 0.78 0.00 0.00 0.00 179.25 179.41 1ygd h GLY 136 N -0.40 0.49 1.22 0.00 0.00 -0.30 -0.13 103.07 103.94 1ygd h GLY 136 Ca -0.00 0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 1ygd h GLY 136 CO 0.00 -0.17 0.28 -2.08 0.00 0.00 0.00 176.54 174.57 1ygd h VAL 137 N 0.08 1.23 -0.54 4.60 2.07 0.39 -2.17 116.25 121.90 1ygd h VAL 137 Ca 0.26 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 1ygd h VAL 137 Cb 0.40 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1ygd h VAL 137 CO -0.47 0.29 0.10 0.00 0.02 0.00 0.00 177.57 177.50 1ygd h ALA 138 N 1.32 0.72 -0.39 1.67 0.00 0.13 -2.47 119.26 120.24 1ygd h ALA 138 Ca 0.23 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1ygd h ALA 138 Cb 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ygd h ALA 138 CO -0.02 0.46 0.02 -0.91 0.00 0.00 0.00 179.25 178.79 1ygd h ASN 139 N 0.78 0.66 -0.89 0.00 -0.26 -0.86 -2.03 115.58 112.98 1ygd h ASN 139 Ca 0.17 -0.29 0.08 0.00 -0.56 0.00 0.00 56.30 55.70 1ygd h ASN 139 Cb 0.40 -0.18 -0.07 0.00 -1.06 0.00 0.00 38.32 37.41 1ygd h ASN 139 CO 0.01 0.79 0.54 0.00 -1.06 0.00 0.00 177.43 177.71 1ygd h ALA 140 N 0.89 1.26 -0.02 -0.83 0.00 -1.34 0.21 119.26 119.43 1ygd h ALA 140 Ca 0.11 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1ygd h ALA 140 Cb 0.44 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1ygd h ALA 140 CO 0.02 0.23 -0.36 -0.07 0.00 0.00 0.00 179.25 179.06 1ygd h LEU 141 N 0.94 0.04 -0.33 0.00 3.38 -1.12 -2.59 115.31 115.63 1ygd h LEU 141 Ca 0.41 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1ygd h LEU 141 Cb 0.29 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ygd h LEU 141 CO -0.21 0.41 -0.40 0.00 0.09 0.00 0.00 178.44 178.32 1ygd n ALA 142 N -2.47 3.38 -0.25 1.53 0.00 -0.53 -4.47 120.51 117.70 1ygd n ALA 142 Ca -0.02 -0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.06 1ygd n ALA 142 Cb 0.41 -1.08 0.18 0.00 0.00 0.00 0.00 19.45 18.95 1ygd n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ygd h HIS 143 N 0.80 0.35 -0.53 0.00 6.17 -0.21 -1.76 115.15 119.97 1ygd h HIS 143 Ca 0.00 0.04 -0.06 0.00 0.71 0.00 0.00 60.37 61.06 1ygd h HIS 143 Cb 0.52 -0.04 -0.03 0.00 2.52 0.00 0.00 27.41 30.38 1ygd h HIS 143 CO 0.00 -0.03 0.07 1.63 0.71 0.00 0.00 177.93 180.31 1ygd n LYS 144 N -5.10 4.03 -2.38 5.26 4.76 -1.26 -4.96 118.16 118.52 1ygd n LYS 144 Ca 0.14 -2.65 -0.42 0.00 -2.87 0.00 0.00 58.31 52.50 1ygd n LYS 144 Cb 0.43 -2.13 -0.03 0.00 -1.84 0.00 0.00 35.03 31.46 1ygd n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1ygd s TYR 145 N -2.53 3.40 0.00 2.13 1.51 -0.67 -4.75 117.35 116.45 1ygd s TYR 145 Ca 0.46 1.24 0.00 0.00 -1.01 0.00 0.00 57.07 57.77 1ygd s TYR 145 Cb 0.36 -3.47 0.00 0.00 -0.11 0.00 0.00 41.96 38.74 1ygd s TYR 145 CO 0.13 -1.47 0.00 -2.39 -1.11 0.00 0.00 175.55 170.71