#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ygd s HIS 2 N 0.00 1.95 -0.22 2.03 5.04 -1.26 -4.92 115.29 117.91 1ygd s HIS 2 Ca 0.00 0.37 -0.00 0.00 -1.54 0.00 0.00 55.06 53.88 1ygd s HIS 2 Cb 0.00 -4.12 0.02 0.00 0.04 0.00 0.00 32.58 28.52 1ygd s HIS 2 CO 0.00 -1.63 -0.12 -1.17 -2.34 0.00 0.00 174.74 169.48 1ygd s LEU 3 N 9.63 2.72 0.56 8.88 2.96 -1.26 -5.11 118.68 137.06 1ygd s LEU 3 Ca 0.67 -0.75 -0.15 0.00 -0.22 0.00 0.00 54.13 53.68 1ygd s LEU 3 Cb -0.04 -1.59 -0.06 0.00 0.50 0.00 0.00 46.19 45.00 1ygd s LEU 3 CO 0.02 -0.06 1.01 0.42 -1.32 0.00 0.00 176.35 176.42 1ygd s THR 4 N 1.31 4.48 0.26 3.68 -4.23 -1.26 -4.81 115.64 115.06 1ygd s THR 4 Ca 0.02 1.06 -0.02 0.00 -1.18 0.00 0.00 61.69 61.57 1ygd s THR 4 Cb -0.15 -3.71 0.24 0.00 1.34 0.00 0.00 72.50 70.22 1ygd s THR 4 CO -0.08 -0.81 1.72 -0.65 -0.54 0.00 0.00 174.62 174.27 1ygd h PRO 5 N 0.44 0.43 -0.15 3.99 0.11 -1.99 0.64 132.00 135.46 1ygd h PRO 5 Ca -0.46 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1ygd h PRO 5 Cb 1.19 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1ygd h PRO 5 CO 0.61 0.29 -0.34 0.93 -0.21 0.00 0.00 178.00 179.28 1ygd h GLU 6 N 0.44 0.31 0.19 1.05 4.39 -1.99 -0.22 114.58 118.75 1ygd h GLU 6 Ca 0.45 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 1ygd h GLU 6 Cb 0.72 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1ygd h GLU 6 CO -0.43 0.61 -0.09 0.93 -1.16 0.00 0.00 179.01 178.87 1ygd h GLU 7 N 0.27 -0.25 -0.98 2.33 5.08 -1.38 -2.33 114.58 117.32 1ygd h GLU 7 Ca 0.03 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.57 1ygd h GLU 7 Cb 0.72 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.94 1ygd h GLU 7 CO 0.06 0.15 0.61 -0.22 -1.00 0.00 0.00 179.01 178.61 1ygd h LYS 8 N -0.78 0.75 0.38 2.33 3.64 -0.90 0.23 116.57 122.23 1ygd h LYS 8 Ca -0.03 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1ygd h LYS 8 Cb 0.51 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1ygd h LYS 8 CO 0.04 0.50 -0.18 1.03 -2.27 0.00 0.00 179.45 178.57 1ygd h SER 9 N 0.78 -0.43 0.02 4.20 0.87 -1.02 -0.25 113.55 117.71 1ygd h SER 9 Ca 0.52 -0.03 0.03 0.00 -1.23 0.00 0.00 61.79 61.08 1ygd h SER 9 Cb 0.79 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.82 1ygd h SER 9 CO -0.29 -0.24 -0.25 0.00 -0.53 0.00 0.00 176.83 175.51 1ygd h ALA 10 N 0.01 -0.35 -0.12 6.23 0.00 -0.66 0.90 119.26 125.27 1ygd h ALA 10 Ca -0.05 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ygd h ALA 10 Cb 0.44 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1ygd h ALA 10 CO 0.08 -0.76 -0.54 0.28 0.00 0.00 0.00 179.25 178.31 1ygd h VAL 11 N -0.40 0.00 -0.33 0.00 2.07 -0.45 0.14 116.25 117.28 1ygd h VAL 11 Ca 0.06 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1ygd h VAL 11 Cb 0.47 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1ygd h VAL 11 CO -0.21 0.00 0.18 0.74 0.02 0.00 0.00 177.57 178.30 1ygd h THR 12 N -0.59 1.14 -0.27 2.57 2.02 -0.84 -1.64 112.91 115.30 1ygd h THR 12 Ca 0.03 -0.37 0.05 0.00 0.77 0.00 0.00 66.41 66.89 1ygd h THR 12 Cb 0.69 0.77 -0.08 0.00 -1.74 0.00 0.00 68.15 67.79 1ygd h THR 12 CO -0.43 0.14 -0.44 0.00 0.37 0.00 0.00 175.52 175.17 1ygd h ALA 13 N 1.05 -0.54 -0.42 6.16 0.00 0.15 -2.55 119.26 123.10 1ygd h ALA 13 Ca 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ygd h ALA 13 Cb 0.07 0.86 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1ygd h ALA 13 CO -0.02 -0.91 0.24 1.25 0.00 0.00 0.00 179.25 179.80 1ygd h LEU 14 N -0.42 0.53 -2.25 0.00 5.85 -0.60 -2.80 115.31 115.61 1ygd h LEU 14 Ca 0.10 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.78 1ygd h LEU 14 Cb 0.61 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1ygd h LEU 14 CO -0.49 0.46 0.23 -0.25 -0.34 0.00 0.00 178.44 178.06 1ygd h TRP 15 N 0.55 0.00 0.00 1.25 2.91 -0.92 -1.71 115.95 118.03 1ygd h TRP 15 Ca 0.15 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.15 1ygd h TRP 15 Cb 0.05 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 28.69 1ygd h TRP 15 CO -0.02 0.00 -0.08 0.78 -1.03 0.00 0.00 178.44 178.09 1ygd h GLY 16 N 0.00 0.00 -3.04 2.65 0.00 -1.18 -2.51 103.07 98.99 1ygd h GLY 16 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1ygd h GLY 16 CO -0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1ygd n LYS 17 N -3.58 3.51 -3.71 4.80 5.02 -0.64 -4.95 118.16 118.61 1ygd n LYS 17 Ca -0.02 -2.86 -0.36 0.00 -2.02 0.00 0.00 58.31 53.05 1ygd n LYS 17 Cb 0.20 -1.83 -0.07 0.00 -0.02 0.00 0.00 35.03 33.31 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 -1.63 5.39 -0.80 -0.18 1.01 -0.95 -5.04 120.40 118.21 1ygd s VAL 18 Ca 0.52 0.29 -0.21 0.00 0.00 0.00 0.00 61.98 62.58 1ygd s VAL 18 Cb 0.32 -3.50 0.10 0.00 0.00 0.00 0.00 36.38 33.30 1ygd s VAL 18 CO 0.28 0.47 1.06 0.21 0.00 0.00 0.00 175.10 177.11 1ygd s ASN 19 N 0.07 6.40 0.19 3.32 3.84 -1.26 -4.93 114.94 122.57 1ygd s ASN 19 Ca 0.12 -1.53 -0.14 0.00 0.21 0.00 0.00 52.86 51.52 1ygd s ASN 19 Cb -0.12 -2.41 0.18 0.00 -0.55 0.00 0.00 41.25 38.35 1ygd s ASN 19 CO 0.01 -1.26 1.68 -0.37 -2.79 0.00 0.00 177.10 174.38 1ygd h VAL 20 N 5.95 0.61 -0.39 -5.21 -1.51 -1.96 0.51 116.25 114.25 1ygd h VAL 20 Ca -0.05 -0.04 0.08 0.00 -1.23 0.00 0.00 66.70 65.46 1ygd h VAL 20 Cb 1.05 0.49 -0.09 0.00 -2.13 0.00 0.00 31.29 30.61 1ygd h VAL 20 CO 1.16 0.02 -0.21 0.44 -1.23 0.00 0.00 177.57 177.75 1ygd h ASP 21 N 0.11 -0.69 0.26 4.19 5.19 -1.91 -0.53 116.42 123.04 1ygd h ASP 21 Ca 0.25 0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.80 1ygd h ASP 21 Cb 0.37 0.37 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1ygd h ASP 21 CO -0.41 -0.24 -0.13 -0.08 -3.12 0.00 0.00 179.24 175.27 1ygd h GLU 22 N -0.14 -0.34 -0.95 3.56 4.81 -1.76 -3.09 114.58 116.67 1ygd h GLU 22 Ca 0.19 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.57 1ygd h GLU 22 Cb 0.43 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.81 1ygd h GLU 22 CO -0.47 0.01 0.58 0.28 -0.73 0.00 0.00 179.01 178.67 1ygd h VAL 23 N -0.90 0.89 0.24 0.32 2.07 -0.87 -2.23 116.25 115.75 1ygd h VAL 23 Ca -0.04 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1ygd h VAL 23 Cb 0.51 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1ygd h VAL 23 CO 0.06 0.16 -0.13 1.23 0.02 0.00 0.00 177.57 178.91 1ygd h GLY 24 N 0.90 -0.36 -0.22 2.17 0.00 -1.18 -0.56 103.07 103.83 1ygd h GLY 24 Ca 0.48 0.14 0.11 0.00 0.00 0.00 0.00 47.33 48.06 1ygd h GLY 24 CO -0.28 -0.14 -0.21 -1.33 0.00 0.00 0.00 176.54 174.58 1ygd h GLY 25 N -0.35 0.22 1.00 4.60 0.00 -1.33 -0.43 103.07 106.79 1ygd h GLY 25 Ca -0.03 0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1ygd h GLY 25 CO 0.04 -0.22 0.43 0.83 0.00 0.00 0.00 176.54 177.62 1ygd h GLU 26 N -0.08 0.93 -0.15 4.80 4.39 -1.16 -2.29 114.58 121.02 1ygd h GLU 26 Ca 0.26 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1ygd h GLU 26 Cb 0.48 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 1ygd h GLU 26 CO -0.61 0.64 0.04 0.00 -1.16 0.00 0.00 179.01 177.92 1ygd h ALA 27 N 1.23 0.19 -0.17 3.43 0.00 0.42 -0.52 119.26 123.84 1ygd h ALA 27 Ca 0.25 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 1ygd h ALA 27 Cb -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ygd h ALA 27 CO -0.05 -0.19 -0.67 1.25 0.00 0.00 0.00 179.25 179.60 1ygd h LEU 28 N 0.05 0.75 -0.45 0.00 5.85 -1.13 -2.23 115.31 118.13 1ygd h LEU 28 Ca 0.05 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 1ygd h LEU 28 Cb 0.23 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1ygd h LEU 28 CO -0.00 1.21 0.21 1.23 -0.34 0.00 0.00 178.44 180.75 1ygd h GLY 29 N 0.90 0.71 1.33 3.75 0.00 -1.39 -1.68 103.07 106.69 1ygd h GLY 29 Ca -0.02 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1ygd h GLY 29 CO 0.13 0.34 0.18 3.21 0.00 0.00 0.00 176.54 180.40 1ygd h ARG 30 N 0.59 0.85 -0.08 4.80 3.08 -1.05 -1.09 114.38 121.48 1ygd h ARG 30 Ca 0.16 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1ygd h ARG 30 Cb 0.14 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1ygd h ARG 30 CO -0.02 0.73 -0.16 1.25 -1.07 0.00 0.00 179.97 180.70 1ygd h LEU 31 N 0.83 0.12 0.00 3.04 5.85 -0.96 0.38 115.31 124.56 1ygd h LEU 31 Ca 0.19 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1ygd h LEU 31 Cb 0.23 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1ygd h LEU 31 CO -0.01 0.29 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.28 1ygd h LEU 32 N 0.12 0.00 0.00 2.25 3.38 -0.31 -2.88 115.31 117.86 1ygd h LEU 32 Ca 0.02 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.66 1ygd h LEU 32 Cb 0.36 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1ygd h LEU 32 CO 0.02 0.00 -2.23 0.52 0.09 0.00 0.00 178.44 176.85 1ygd n VAL 33 N -2.42 1.23 0.12 1.22 0.31 -0.62 -4.20 118.33 113.97 1ygd n VAL 33 Ca 0.05 -0.51 -0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1ygd n VAL 33 Cb 0.45 -1.17 0.05 0.00 -0.91 0.00 0.00 33.84 32.26 1ygd n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1ygd h VAL 34 N 0.00 1.20 -2.27 2.52 2.07 -0.39 -3.37 116.25 116.01 1ygd h VAL 34 Ca -0.48 -2.48 -0.58 0.00 0.82 0.00 0.00 66.70 63.98 1ygd h VAL 34 Cb 1.79 2.45 -0.40 0.00 -1.52 0.00 0.00 31.29 33.61 1ygd h VAL 34 CO -0.06 0.64 -0.90 -1.22 0.02 0.00 0.00 177.57 176.04 1ygd n TYR 35 N -3.37 0.73 -0.35 1.57 4.01 -1.09 -4.99 117.16 113.66 1ygd n TYR 35 Ca 0.01 -3.70 0.28 0.00 -0.16 0.00 0.00 57.90 54.32 1ygd n TYR 35 Cb 0.75 -0.26 0.58 0.00 -0.31 0.00 0.00 39.34 40.10 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 4.65 0.25 -0.79 -0.72 0.11 -1.73 -1.43 132.00 132.34 1ygd h PRO 36 Ca 0.16 -0.02 0.23 0.00 0.11 0.00 0.00 66.00 66.48 1ygd h PRO 36 Cb 0.83 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 31.85 1ygd h PRO 36 CO 0.54 0.17 0.57 1.05 -0.21 0.00 0.00 178.00 180.11 1ygd h GLU 37 N 0.26 0.02 0.00 1.05 9.09 -1.91 -0.82 114.58 122.27 1ygd h GLU 37 Ca 0.64 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.05 1ygd h GLU 37 Cb 1.89 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.98 1ygd h GLU 37 CO -0.27 0.01 0.00 0.25 0.05 0.00 0.00 179.01 179.05 1ygd n THR 38 N -4.31 1.07 0.26 -1.06 -2.24 -0.54 -2.11 114.28 105.35 1ygd n THR 38 Ca 0.16 0.27 0.13 0.00 -2.27 0.00 0.00 64.05 62.34 1ygd n THR 38 Cb 0.84 -1.06 0.71 0.00 -2.10 0.00 0.00 70.33 68.73 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 -1.30 -0.78 4.20 -1.36 -3.11 115.11 112.76 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 0.19 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.92 1ygd h GLN 39 CO 0.00 0.12 1.23 0.07 -0.67 0.00 0.00 178.83 179.58 1ygd h ARG 40 N 0.00 0.00 -0.01 1.46 0.11 -1.64 1.10 114.38 115.39 1ygd h ARG 40 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ygd h ARG 40 Cb 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 1ygd h ARG 40 CO 0.02 0.00 -0.36 1.19 0.10 0.00 0.00 179.97 180.91 1ygd n PHE 41 N -3.52 0.00 -1.92 4.08 3.72 -1.18 -4.41 117.46 114.23 1ygd n PHE 41 Ca 0.29 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.74 1ygd n PHE 41 Cb 1.62 -0.08 0.14 0.00 -0.94 0.00 0.00 39.48 40.23 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 -0.48 0.01 0.11 1.38 3.72 0.38 -4.84 117.46 117.74 1ygd n PHE 42 Ca 0.11 -1.15 0.04 0.00 -0.05 0.00 0.00 57.45 56.40 1ygd n PHE 42 Cb 0.39 -0.21 0.23 0.00 -0.94 0.00 0.00 39.48 38.94 1ygd n PHE 42 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1ygd n GLU 43 N -0.54 0.06 -0.94 -1.08 0.28 -1.22 -0.90 120.64 116.29 1ygd n GLU 43 Ca 0.14 0.47 0.01 0.00 -0.16 0.00 0.00 57.16 57.62 1ygd n GLU 43 Cb 0.86 -1.96 0.35 0.00 1.43 0.00 0.00 31.44 32.12 1ygd n GLU 43 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1ygd n SER 44 N -1.78 5.19 -0.93 -1.84 3.41 -1.26 -4.08 113.62 112.33 1ygd n SER 44 Ca -0.01 -3.10 0.12 0.00 -0.26 0.00 0.00 58.87 55.63 1ygd n SER 44 Cb 0.29 -0.71 0.12 0.00 -0.26 0.00 0.00 64.21 63.64 1ygd n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ygd n PHE 45 N 0.16 0.00 -2.84 7.33 3.01 -0.07 -5.07 117.46 119.97 1ygd n PHE 45 Ca 0.34 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.80 1ygd n PHE 45 Cb 1.28 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.75 1ygd n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ygd n GLY 46 N 1.34 0.50 3.64 1.37 0.00 -1.26 -4.84 105.19 105.94 1ygd n GLY 46 Ca 0.14 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 6.27 -0.01 1.61 2.15 -1.26 -4.82 116.67 116.60 1ygd s ASP 47 Ca 0.00 2.26 0.02 0.00 0.43 0.00 0.00 52.55 55.26 1ygd s ASP 47 Cb 0.00 -2.53 0.03 0.00 -0.30 0.00 0.00 42.92 40.13 1ygd s ASP 47 CO 0.00 -1.26 0.81 0.18 -0.17 0.00 0.00 175.17 174.73 1ygd n LEU 48 N 8.49 0.90 -0.17 -1.34 4.77 -1.26 -4.26 117.00 124.13 1ygd n LEU 48 Ca 0.21 -1.13 -0.08 0.00 -0.03 0.00 0.00 56.01 54.98 1ygd n LEU 48 Cb 0.43 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 1ygd n LEU 48 CO 0.66 0.28 0.94 0.77 -1.33 0.00 0.00 177.39 178.70 1ygd h SER 49 N 0.00 0.69 -2.71 -1.43 4.64 -1.93 -3.44 113.55 109.37 1ygd h SER 49 Ca 0.00 -0.18 -0.52 0.00 -0.47 0.00 0.00 61.79 60.62 1ygd h SER 49 Cb 0.90 -0.18 -0.14 0.00 -0.31 0.00 0.00 62.40 62.67 1ygd h SER 49 CO 0.00 0.69 -0.69 0.42 -0.87 0.00 0.00 176.83 176.37 1ygd s THR 50 N -5.50 1.85 0.15 2.95 -4.23 -1.26 -5.05 115.64 104.55 1ygd s THR 50 Ca -0.13 -2.18 -0.26 0.00 -1.18 0.00 0.00 61.69 57.94 1ygd s THR 50 Cb 0.11 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.54 1ygd s THR 50 CO 0.78 -0.33 1.59 -0.65 -0.54 0.00 0.00 174.62 175.47 1ygd h PRO 51 N 2.27 -0.34 -0.85 3.99 0.11 -1.99 -1.32 132.00 133.86 1ygd h PRO 51 Ca -0.40 0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.84 1ygd h PRO 51 Cb 1.24 0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.36 1ygd h PRO 51 CO 0.66 -0.23 0.55 -0.44 -0.21 0.00 0.00 178.00 178.34 1ygd h ASP 52 N -0.36 0.70 -0.60 -2.05 3.32 -1.98 0.45 116.42 115.91 1ygd h ASP 52 Ca 0.12 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1ygd h ASP 52 Cb 0.57 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 1ygd h ASP 52 CO -0.46 0.40 0.40 0.00 -1.72 0.00 0.00 179.24 177.85 1ygd h ALA 53 N 1.58 1.56 0.03 3.45 0.00 -1.56 0.12 119.26 124.44 1ygd h ALA 53 Ca 0.40 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1ygd h ALA 53 Cb 0.51 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ygd h ALA 53 CO -0.17 0.40 -0.01 0.28 0.00 0.00 0.00 179.25 179.75 1ygd h VAL 54 N 0.82 0.00 -1.23 0.00 2.07 -0.61 -1.82 116.25 115.48 1ygd h VAL 54 Ca 0.22 -0.09 0.36 0.00 0.82 0.00 0.00 66.70 68.01 1ygd h VAL 54 Cb -0.09 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.58 1ygd h VAL 54 CO -0.05 0.00 0.81 0.24 0.02 0.00 0.00 177.57 178.60 1ygd h MET 55 N -0.13 0.18 0.00 1.57 2.07 -1.13 -1.25 114.93 116.24 1ygd h MET 55 Ca -0.00 -0.01 -0.18 0.00 -2.07 0.00 0.00 59.70 57.43 1ygd h MET 55 Cb 0.03 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 29.68 1ygd h MET 55 CO 0.01 0.12 -1.39 0.78 1.07 0.00 0.00 176.91 177.49 1ygd h GLY 56 N 0.19 0.00 -6.57 8.32 0.00 -0.86 -3.46 103.07 100.68 1ygd h GLY 56 Ca 0.70 0.00 -0.79 0.00 0.00 0.00 0.00 47.33 47.24 1ygd h GLY 56 CO -0.28 0.00 0.84 -2.01 0.00 0.00 0.00 176.54 175.09 1ygd n ASN 57 N -2.94 2.00 0.17 0.19 2.85 -0.47 -4.84 115.26 112.21 1ygd n ASN 57 Ca -0.10 1.11 0.13 0.00 -0.11 0.00 0.00 54.58 55.61 1ygd n ASN 57 Cb 0.87 -1.05 0.54 0.00 1.24 0.00 0.00 39.78 41.37 1ygd n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1ygd h PRO 58 N 6.54 0.00 0.12 1.20 0.11 -1.89 -2.24 132.00 135.83 1ygd h PRO 58 Ca -0.45 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.32 1ygd h PRO 58 Cb 1.34 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1ygd h PRO 58 CO 0.97 0.00 -1.79 0.87 -0.21 0.00 0.00 178.00 177.84 1ygd h LYS 59 N 0.00 0.25 -0.82 1.05 1.57 -1.88 -2.30 116.57 114.43 1ygd h LYS 59 Ca 0.00 -0.42 0.06 0.00 -1.87 0.00 0.00 60.65 58.42 1ygd h LYS 59 Cb 0.43 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.85 1ygd h LYS 59 CO 0.00 1.10 0.54 0.28 -0.57 0.00 0.00 179.45 180.80 1ygd h VAL 60 N 0.07 1.06 -0.04 0.50 2.07 -1.81 0.11 116.25 118.21 1ygd h VAL 60 Ca -0.34 -0.32 -0.17 0.00 0.82 0.00 0.00 66.70 66.69 1ygd h VAL 60 Cb 2.04 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1ygd h VAL 60 CO 0.12 0.17 -0.64 0.11 0.02 0.00 0.00 177.57 177.35 1ygd h LYS 61 N 0.92 0.51 -0.97 1.57 1.57 -1.47 -1.48 116.57 117.23 1ygd h LYS 61 Ca 0.35 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1ygd h LYS 61 Cb 0.20 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.59 1ygd h LYS 61 CO -0.12 1.13 0.61 0.00 -0.57 0.00 0.00 179.45 180.50 1ygd h ALA 62 N 0.39 1.23 -0.13 3.86 0.00 -1.01 -2.34 119.26 121.26 1ygd h ALA 62 Ca -0.07 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1ygd h ALA 62 Cb 1.32 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1ygd h ALA 62 CO 0.13 0.65 -0.68 1.25 0.00 0.00 0.00 179.25 180.60 1ygd h HIS 63 N 1.32 0.69 -0.44 0.00 -0.00 -0.78 -2.96 115.15 112.98 1ygd h HIS 63 Ca 0.35 -0.29 0.07 0.00 -0.00 0.00 0.00 60.37 60.50 1ygd h HIS 63 Cb -0.11 -0.11 -0.06 0.00 -0.00 0.00 0.00 27.41 27.13 1ygd h HIS 63 CO 0.00 1.05 0.10 0.78 -0.00 0.00 0.00 177.93 179.86 1ygd h GLY 64 N 1.08 0.54 0.42 5.26 0.00 -0.86 -1.49 103.07 108.02 1ygd h GLY 64 Ca -0.02 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.31 1ygd h GLY 64 CO 0.12 -0.04 -0.22 1.70 0.00 0.00 0.00 176.54 178.10 1ygd h LYS 65 N 0.24 -0.31 -0.46 4.80 3.64 -1.33 -1.33 116.57 121.82 1ygd h LYS 65 Ca 0.22 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.67 1ygd h LYS 65 Cb 0.26 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.08 1ygd h LYS 65 CO -0.27 -0.21 -0.51 -0.22 -2.27 0.00 0.00 179.45 175.97 1ygd h LYS 66 N -0.33 -0.28 0.18 1.90 3.64 -1.17 0.56 116.57 121.08 1ygd h LYS 66 Ca 0.08 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1ygd h LYS 66 Cb 0.43 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.27 1ygd h LYS 66 CO -0.24 -0.19 -0.49 0.28 -2.27 0.00 0.00 179.45 176.55 1ygd h VAL 67 N -0.29 0.06 -0.17 2.00 2.07 -0.86 -0.86 116.25 118.20 1ygd h VAL 67 Ca 0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 1ygd h VAL 67 Cb 0.50 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1ygd h VAL 67 CO -0.59 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.07 1ygd h LEU 68 N -0.76 0.00 0.40 2.57 3.38 -0.80 -0.81 115.31 119.29 1ygd h LEU 68 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ygd h LEU 68 Cb 0.75 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1ygd h LEU 68 CO -0.24 0.00 -0.45 1.23 0.09 0.00 0.00 178.44 179.07 1ygd h GLY 69 N 0.00 -1.20 2.00 0.83 0.00 0.16 -2.10 103.07 102.76 1ygd h GLY 69 Ca 0.08 0.57 -0.02 0.00 0.00 0.00 0.00 47.33 47.96 1ygd h GLY 69 CO -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 176.54 176.11 1ygd h ALA 70 N -0.97 1.55 -0.01 3.60 0.00 -0.68 -1.40 119.26 121.36 1ygd h ALA 70 Ca -0.05 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1ygd h ALA 70 Cb 0.76 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1ygd h ALA 70 CO -0.08 0.09 -0.28 0.35 0.00 0.00 0.00 179.25 179.33 1ygd h PHE 71 N 0.00 0.01 -0.07 0.00 3.04 -0.73 -2.19 116.94 117.00 1ygd h PHE 71 Ca -0.00 -0.00 -0.22 0.00 3.98 0.00 0.00 57.97 61.73 1ygd h PHE 71 Cb 0.17 -0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.68 1ygd h PHE 71 CO 0.00 0.29 -0.84 0.77 -2.02 0.00 0.00 178.31 176.51 1ygd h SER 72 N 0.01 0.70 -0.02 0.41 0.02 -0.60 -2.97 113.55 111.10 1ygd h SER 72 Ca -0.00 -0.50 0.01 0.00 -0.84 0.00 0.00 61.79 60.46 1ygd h SER 72 Cb 0.51 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.84 1ygd h SER 72 CO 0.04 1.28 0.02 0.44 -1.14 0.00 0.00 176.83 177.47 1ygd h ASP 73 N 0.36 0.00 -0.11 3.07 5.19 -1.27 -0.85 116.42 122.81 1ygd h ASP 73 Ca -0.06 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.12 1ygd h ASP 73 Cb 1.46 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.98 1ygd h ASP 73 CO 0.16 0.00 -0.83 1.23 -3.12 0.00 0.00 179.24 176.68 1ygd h GLY 74 N 0.00 0.84 2.00 2.75 0.00 -1.32 -3.03 103.07 104.30 1ygd h GLY 74 Ca 0.01 -1.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.08 1ygd h GLY 74 CO -0.00 1.11 -0.03 1.41 0.00 0.00 0.00 176.54 179.03 1ygd h LEU 75 N 0.47 0.00 -1.27 3.11 3.38 -1.07 -0.26 115.31 119.66 1ygd h LEU 75 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1ygd h LEU 75 Cb 1.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.22 1ygd h LEU 75 CO 0.17 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1ygd n ALA 76 N -2.13 2.46 -2.53 1.53 0.00 -0.92 -3.90 120.51 115.02 1ygd n ALA 76 Ca -0.01 -0.61 -0.02 0.00 0.00 0.00 0.00 53.44 52.80 1ygd n ALA 76 Cb 0.22 -1.00 0.05 0.00 0.00 0.00 0.00 19.45 18.72 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 0.50 -0.62 0.15 0.00 8.25 -0.19 -4.96 115.22 118.34 1ygd n HIS 77 Ca 0.13 -1.39 0.17 0.00 -0.26 0.00 0.00 57.72 56.37 1ygd n HIS 77 Cb 0.31 0.73 0.59 0.00 1.12 0.00 0.00 29.99 32.74 1ygd n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1ygd h LEU 78 N 1.12 0.00 -0.08 2.41 3.38 -1.44 0.23 115.31 120.93 1ygd h LEU 78 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1ygd h LEU 78 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 1ygd h LEU 78 CO -0.10 0.00 -0.11 0.47 0.09 0.00 0.00 178.44 178.79 1ygd n ASP 79 N -3.17 0.23 -2.93 -0.43 8.00 -1.26 -4.30 116.55 112.69 1ygd n ASP 79 Ca 0.06 -0.11 -0.13 0.00 0.71 0.00 0.00 54.79 55.32 1ygd n ASP 79 Cb 0.77 -0.20 0.03 0.00 -0.02 0.00 0.00 41.12 41.70 1ygd n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1ygd n ASN 80 N -1.27 -1.16 -0.17 -2.24 5.15 0.79 -4.98 115.26 111.38 1ygd n ASN 80 Ca 0.11 -3.32 -0.11 0.00 -0.60 0.00 0.00 54.58 50.66 1ygd n ASN 80 Cb 0.30 0.84 0.00 0.00 -0.53 0.00 0.00 39.78 40.38 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 3.26 1.00 -1.44 1.20 3.38 -1.74 -2.23 115.31 118.74 1ygd h LEU 81 Ca -0.03 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1ygd h LEU 81 Cb 1.02 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1ygd h LEU 81 CO 0.31 1.14 0.35 0.11 0.09 0.00 0.00 178.44 180.44 1ygd h LYS 82 N 0.85 0.73 0.00 1.13 1.57 -1.93 0.51 116.57 119.43 1ygd h LYS 82 Ca 0.13 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1ygd h LYS 82 Cb 0.71 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.86 1ygd h LYS 82 CO 0.05 0.49 -0.26 0.78 -0.57 0.00 0.00 179.45 179.95 1ygd h GLY 83 N 0.76 0.19 0.21 3.86 0.00 -1.93 -2.58 103.07 103.59 1ygd h GLY 83 Ca 0.20 -0.34 0.14 0.00 0.00 0.00 0.00 47.33 47.33 1ygd h GLY 83 CO -0.04 0.30 0.35 -0.84 0.00 0.00 0.00 176.54 176.31 1ygd h THR 84 N -0.51 0.70 -0.41 4.70 2.02 -0.93 -2.55 112.91 115.94 1ygd h THR 84 Ca -0.03 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1ygd h THR 84 Cb 1.02 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1ygd h THR 84 CO 0.05 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.53 1ygd n PHE 85 N -4.94 0.53 0.03 3.16 3.72 0.13 -4.65 117.46 115.44 1ygd n PHE 85 Ca 0.15 -0.26 -0.15 0.00 -0.05 0.00 0.00 57.45 57.14 1ygd n PHE 85 Cb 0.40 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.85 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 4.42 -0.91 -0.81 4.37 0.00 -1.02 0.13 119.26 125.44 1ygd h ALA 86 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ygd h ALA 86 Cb 0.91 0.95 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 1ygd h ALA 86 CO 0.00 -1.07 0.54 1.79 0.00 0.00 0.00 179.25 180.50 1ygd h THR 87 N -0.61 1.21 -0.19 0.00 1.35 -1.82 -1.10 112.91 111.75 1ygd h THR 87 Ca 0.02 -0.38 -0.03 0.00 -0.55 0.00 0.00 66.41 65.47 1ygd h THR 87 Cb 0.67 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.09 1ygd h THR 87 CO -0.36 0.20 -0.02 0.25 -0.25 0.00 0.00 175.52 175.33 1ygd h LEU 88 N 1.09 0.25 -0.03 3.87 5.85 -1.63 -1.58 115.31 123.13 1ygd h LEU 88 Ca 0.30 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.97 1ygd h LEU 88 Cb -0.12 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 1ygd h LEU 88 CO -0.07 0.32 -0.02 -1.28 -0.34 0.00 0.00 178.44 177.05 1ygd h SER 89 N 0.27 0.08 -0.77 1.25 0.87 0.26 -1.22 113.55 114.29 1ygd h SER 89 Ca 0.06 -0.45 0.08 0.00 -1.23 0.00 0.00 61.79 60.25 1ygd h SER 89 Cb 0.22 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.11 1ygd h SER 89 CO 0.01 0.51 0.51 -0.33 -0.53 0.00 0.00 176.83 177.00 1ygd h GLU 90 N -0.36 0.74 0.81 2.24 5.08 -1.15 -1.66 114.58 120.28 1ygd h GLU 90 Ca 0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1ygd h GLU 90 Cb 0.49 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.58 1ygd h GLU 90 CO 0.01 0.49 -0.39 1.25 -1.00 0.00 0.00 179.01 179.36 1ygd h LEU 91 N 0.76 -0.92 -2.79 1.33 5.85 -1.02 0.98 115.31 119.49 1ygd h LEU 91 Ca 0.34 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1ygd h LEU 91 Cb 0.35 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1ygd h LEU 91 CO -0.12 -0.56 0.02 0.45 -0.34 0.00 0.00 178.44 177.88 1ygd h HIS 92 N -1.29 0.00 0.00 1.25 3.86 -1.04 -0.93 115.15 117.00 1ygd h HIS 92 Ca -0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1ygd h HIS 92 Cb 0.84 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.31 1ygd h HIS 92 CO 0.00 0.00 -0.02 0.00 0.86 0.00 0.00 177.93 178.77 1ygd h ASP 94 N -0.05 -0.22 0.08 0.00 3.32 0.10 -2.51 116.42 117.15 1ygd h ASP 94 Ca 0.00 -0.02 -0.21 0.00 0.02 0.00 0.00 57.03 56.82 1ygd h ASP 94 Cb 0.02 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1ygd h ASP 94 CO 0.00 -0.13 -1.06 0.11 -1.72 0.00 0.00 179.24 176.43 1ygd h LYS 95 N -0.29 0.18 0.00 3.56 6.56 -1.31 -3.40 116.57 121.87 1ygd h LYS 95 Ca -0.03 -0.30 -0.12 0.00 -1.06 0.00 0.00 60.65 59.14 1ygd h LYS 95 Cb 0.22 0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 31.97 1ygd h LYS 95 CO 0.04 1.14 -1.38 1.28 -2.06 0.00 0.00 179.45 178.48 1ygd n LEU 96 N -4.15 0.76 -3.49 2.94 4.77 -0.72 -4.99 117.00 112.12 1ygd n LEU 96 Ca -0.22 0.32 -0.18 0.00 -0.03 0.00 0.00 56.01 55.90 1ygd n LEU 96 Cb 0.79 0.05 0.08 0.00 -2.33 0.00 0.00 43.42 42.00 1ygd n LEU 96 CO 0.38 0.06 0.07 1.41 -1.33 0.00 0.00 177.39 177.98 1ygd n HIS 97 N -2.78 -2.14 -3.37 -1.77 8.25 -0.16 -4.95 115.22 108.29 1ygd n HIS 97 Ca -0.08 0.92 -0.39 0.00 -0.26 0.00 0.00 57.72 57.91 1ygd n HIS 97 Cb 0.75 -4.93 -0.09 0.00 1.12 0.00 0.00 29.99 26.84 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 -3.43 5.16 -0.11 1.59 1.01 0.87 -5.01 120.40 120.48 1ygd s VAL 98 Ca 0.01 0.62 -0.31 0.00 0.00 0.00 0.00 61.98 62.31 1ygd s VAL 98 Cb -0.01 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.57 1ygd s VAL 98 CO 0.75 0.15 2.06 -0.67 0.00 0.00 0.00 175.10 177.39 1ygd n ASP 99 N 5.35 3.52 -0.06 3.32 -0.08 -1.26 -4.78 116.55 122.56 1ygd n ASP 99 Ca -0.08 0.63 0.25 0.00 -1.51 0.00 0.00 54.79 54.08 1ygd n ASP 99 Cb 0.51 -1.48 0.64 0.00 2.34 0.00 0.00 41.12 43.12 1ygd n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ygd h PRO 100 N 12.01 0.00 -1.02 -0.67 0.11 -1.95 0.29 132.00 140.77 1ygd h PRO 100 Ca -0.45 0.00 0.25 0.00 0.11 0.00 0.00 66.00 65.91 1ygd h PRO 100 Cb 1.25 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.26 1ygd h PRO 100 CO 0.96 0.00 0.64 1.49 -0.21 0.00 0.00 178.00 180.88 1ygd h GLU 101 N 0.00 0.48 0.00 1.05 4.57 -2.00 0.25 114.58 118.93 1ygd h GLU 101 Ca 0.34 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.48 1ygd h GLU 101 Cb 1.89 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 30.37 1ygd h GLU 101 CO -0.00 0.32 -0.05 -0.91 -1.18 0.00 0.00 179.01 177.18 1ygd h ASN 102 N 0.49 0.00 -0.18 1.04 4.21 -0.77 -2.41 115.58 117.97 1ygd h ASN 102 Ca 0.59 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 58.09 1ygd h ASN 102 Cb 1.33 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.52 1ygd h ASN 102 CO -0.34 0.05 0.09 -0.26 -1.29 0.00 0.00 177.43 175.69 1ygd h PHE 103 N 0.00 0.29 0.04 1.19 0.04 -0.68 -2.48 116.94 115.35 1ygd h PHE 103 Ca -0.00 -0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.54 1ygd h PHE 103 Cb 0.15 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.20 1ygd h PHE 103 CO 0.00 0.23 -1.02 0.00 -0.60 0.00 0.00 178.31 176.92 1ygd h ARG 104 N 0.30 0.28 0.19 1.51 3.08 -1.55 -2.45 114.38 115.75 1ygd h ARG 104 Ca 0.08 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.77 1ygd h ARG 104 Cb 0.06 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1ygd h ARG 104 CO -0.01 1.09 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.76 1ygd h LEU 105 N 0.13 -0.38 -0.48 3.04 3.38 -1.51 0.08 115.31 119.57 1ygd h LEU 105 Ca -0.08 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.00 1ygd h LEU 105 Cb 1.69 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 42.50 1ygd h LEU 105 CO 0.17 -0.23 0.10 0.25 0.09 0.00 0.00 178.44 178.82 1ygd h LEU 106 N -0.35 0.02 0.15 1.67 5.85 -1.50 -1.41 115.31 119.73 1ygd h LEU 106 Ca -0.01 0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1ygd h LEU 106 Cb 0.31 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1ygd h LEU 106 CO -0.01 0.04 -0.30 1.23 -0.34 0.00 0.00 178.44 179.06 1ygd h GLY 107 N 0.24 -0.59 1.06 3.75 0.00 -0.92 0.48 103.07 107.08 1ygd h GLY 107 Ca 0.24 0.36 0.02 0.00 0.00 0.00 0.00 47.33 47.94 1ygd h GLY 107 CO -0.30 -0.24 0.60 3.43 0.00 0.00 0.00 176.54 180.02 1ygd h ASN 108 N -0.54 1.02 -0.56 0.19 2.35 -0.71 0.63 115.58 117.96 1ygd h ASN 108 Ca 0.02 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1ygd h ASN 108 Cb 0.56 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1ygd h ASN 108 CO -0.16 0.72 0.23 0.58 -1.65 0.00 0.00 177.43 177.15 1ygd h VAL 109 N 1.19 1.22 -0.46 2.81 2.07 -0.64 -0.57 116.25 121.88 1ygd h VAL 109 Ca 0.34 -0.68 0.09 0.00 0.82 0.00 0.00 66.70 67.27 1ygd h VAL 109 Cb -0.08 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 30.24 1ygd h VAL 109 CO -0.09 0.26 -0.01 0.25 0.02 0.00 0.00 177.57 178.01 1ygd h LEU 110 N 0.76 -0.21 -0.29 2.57 5.85 0.17 0.87 115.31 125.03 1ygd h LEU 110 Ca 0.19 0.11 0.03 0.00 0.84 0.00 0.00 57.88 59.05 1ygd h LEU 110 Cb 0.19 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1ygd h LEU 110 CO -0.02 -0.07 0.10 0.58 -0.34 0.00 0.00 178.44 178.70 1ygd h VAL 111 N 0.10 0.93 -0.73 1.05 2.07 -0.08 -0.58 116.25 119.01 1ygd h VAL 111 Ca 0.23 -0.08 0.14 0.00 0.82 0.00 0.00 66.70 67.80 1ygd h VAL 111 Cb 0.34 0.67 -0.09 0.00 -1.52 0.00 0.00 31.29 30.68 1ygd h VAL 111 CO -0.39 0.04 0.27 0.00 0.02 0.00 0.00 177.57 177.52 1ygd h VAL 113 N 0.41 1.21 -0.91 0.00 2.07 0.58 -1.17 116.25 118.43 1ygd h VAL 113 Ca 0.40 -0.62 0.16 0.00 0.82 0.00 0.00 66.70 67.46 1ygd h VAL 113 Cb 0.61 1.52 -0.10 0.00 -1.52 0.00 0.00 31.29 31.80 1ygd h VAL 113 CO -0.41 0.17 0.50 -0.07 0.02 0.00 0.00 177.57 177.78 1ygd h LEU 114 N -0.15 0.61 -0.14 2.57 3.38 -0.78 0.08 115.31 120.90 1ygd h LEU 114 Ca 0.02 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ygd h LEU 114 Cb 0.26 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1ygd h LEU 114 CO 0.00 0.23 0.08 0.00 0.09 0.00 0.00 178.44 178.85 1ygd h ALA 115 N 1.60 0.17 -0.42 1.53 0.00 -0.78 -0.72 119.26 120.64 1ygd h ALA 115 Ca 0.51 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.45 1ygd h ALA 115 Cb 0.76 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1ygd h ALA 115 CO -0.38 -0.32 0.11 1.25 0.00 0.00 0.00 179.25 179.91 1ygd h HIS 116 N 0.16 0.18 0.00 0.00 -0.00 0.04 0.11 115.15 115.65 1ygd h HIS 116 Ca 0.05 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.33 1ygd h HIS 116 Cb 0.02 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 1ygd h HIS 116 CO -0.06 0.04 -0.53 0.45 -0.00 0.00 0.00 177.93 177.83 1ygd h HIS 117 N 0.25 0.00 -0.00 5.26 -0.00 -0.69 -3.35 115.15 116.62 1ygd h HIS 117 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1ygd h HIS 117 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 1ygd h HIS 117 CO -0.19 0.53 -0.32 1.19 -0.00 0.00 0.00 177.93 179.14 1ygd n PHE 118 N -3.84 0.00 -1.36 2.45 3.72 -0.31 -5.08 117.46 113.04 1ygd n PHE 118 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1ygd n PHE 118 Cb 0.55 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 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 1.12 2.03 0.29 1.37 0.00 0.37 -2.06 105.19 108.31 1ygd n GLY 119 Ca 0.02 -0.26 0.25 0.00 0.00 0.00 0.00 46.02 46.03 1ygd n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ygd n LYS 120 N 14.00 -0.06 0.14 1.61 0.00 -1.26 0.08 118.16 132.67 1ygd n LYS 120 Ca 0.00 1.27 0.19 0.00 -0.00 0.00 0.00 58.31 59.77 1ygd n LYS 120 Cb 0.00 -2.22 0.78 0.00 -0.00 0.00 0.00 35.03 33.59 1ygd n LYS 120 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1ygd h GLU 121 N 0.00 0.00 -3.37 -1.58 4.81 -1.82 -3.12 114.58 109.49 1ygd h GLU 121 Ca 0.72 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 59.21 1ygd h GLU 121 Cb 1.82 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 31.09 1ygd h GLU 121 CO -0.73 0.00 2.54 0.34 -0.73 0.00 0.00 179.01 180.42 1ygd n PHE 122 N -3.71 2.93 -1.56 0.92 7.35 0.11 -4.96 117.46 118.54 1ygd n PHE 122 Ca 0.05 -2.87 -0.33 0.00 -0.76 0.00 0.00 57.45 53.54 1ygd n PHE 122 Cb 0.51 -2.11 0.07 0.00 0.35 0.00 0.00 39.48 38.31 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 0.85 2.80 0.22 -2.13 -4.23 -1.18 -4.68 115.64 107.29 1ygd s THR 123 Ca 0.47 0.37 -0.19 0.00 -1.18 0.00 0.00 61.69 61.16 1ygd s THR 123 Cb 0.13 -2.89 0.20 0.00 1.34 0.00 0.00 72.50 71.29 1ygd s THR 123 CO -0.04 -0.23 1.55 -0.65 -0.54 0.00 0.00 174.62 174.71 1ygd h PRO 124 N -0.23 -0.02 -1.00 3.99 0.11 -1.94 0.35 132.00 133.26 1ygd h PRO 124 Ca -0.47 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.79 1ygd h PRO 124 Cb 1.27 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.29 1ygd h PRO 124 CO 0.52 -0.01 0.62 -1.35 -0.21 0.00 0.00 178.00 177.57 1ygd h PRO 125 N -0.02 0.86 -0.16 1.05 0.11 -2.00 -0.29 132.00 131.55 1ygd h PRO 125 Ca 0.32 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.26 1ygd h PRO 125 Cb 0.58 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1ygd h PRO 125 CO -0.96 0.57 -0.41 0.28 -0.21 0.00 0.00 178.00 177.27 1ygd h VAL 126 N 0.89 1.31 -0.21 3.15 2.07 -0.72 -3.08 116.25 119.66 1ygd h VAL 126 Ca 0.53 -1.56 -0.15 0.00 0.82 0.00 0.00 66.70 66.34 1ygd h VAL 126 Cb 0.68 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1ygd h VAL 126 CO -0.32 0.48 -0.49 -0.61 0.02 0.00 0.00 177.57 176.66 1ygd h GLN 127 N 0.32 0.56 -0.85 1.57 4.15 0.49 -2.81 115.11 118.54 1ygd h GLN 127 Ca 0.03 -0.32 -0.02 0.00 0.77 0.00 0.00 58.65 59.11 1ygd h GLN 127 Cb 0.87 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.54 1ygd h GLN 127 CO 0.07 0.92 0.47 0.00 -1.93 0.00 0.00 178.83 178.36 1ygd h ALA 128 N 1.02 1.21 0.24 3.38 0.00 -1.20 0.18 119.26 124.10 1ygd h ALA 128 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ygd h ALA 128 Cb 1.01 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1ygd h ALA 128 CO 0.09 0.63 -0.12 0.00 0.00 0.00 0.00 179.25 179.86 1ygd h ALA 129 N 1.32 -0.32 -0.39 0.00 0.00 -1.45 -1.03 119.26 117.37 1ygd h ALA 129 Ca 0.30 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1ygd h ALA 129 Cb 0.03 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ygd h ALA 129 CO -0.05 -0.66 0.26 1.88 0.00 0.00 0.00 179.25 180.68 1ygd h TYR 130 N -0.36 0.48 -0.33 0.00 0.05 -1.16 0.36 116.97 116.00 1ygd h TYR 130 Ca -0.03 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 1ygd h TYR 130 Cb 0.28 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1ygd h TYR 130 CO -0.05 0.30 0.16 1.96 -1.05 0.00 0.00 178.16 179.48 1ygd h GLN 131 N 0.51 0.47 0.19 4.88 1.08 -0.24 0.40 115.11 122.41 1ygd h GLN 131 Ca 0.15 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1ygd h GLN 131 Cb -0.03 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 1ygd h GLN 131 CO -0.03 0.43 -0.14 0.87 -0.95 0.00 0.00 178.83 179.01 1ygd h LYS 132 N 0.40 -0.31 -0.09 1.46 1.57 0.16 -1.62 116.57 118.14 1ygd h LYS 132 Ca 0.11 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1ygd h LYS 132 Cb 0.11 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1ygd h LYS 132 CO -0.02 -0.21 -0.12 0.28 -0.57 0.00 0.00 179.45 178.81 1ygd h VAL 133 N -0.33 0.67 -0.80 0.50 2.07 0.14 0.91 116.25 119.41 1ygd h VAL 133 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1ygd h VAL 133 Cb 0.29 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1ygd h VAL 133 CO -0.00 0.00 0.43 -0.37 0.02 0.00 0.00 177.57 177.64 1ygd h VAL 134 N -0.16 1.24 -0.68 2.57 -1.51 -0.18 -1.46 116.25 116.07 1ygd h VAL 134 Ca 0.08 -0.62 -0.01 0.00 -1.23 0.00 0.00 66.70 64.92 1ygd h VAL 134 Cb 0.27 0.18 -0.03 0.00 -2.13 0.00 0.00 31.29 29.58 1ygd h VAL 134 CO -0.19 0.27 0.39 0.00 -1.23 0.00 0.00 177.57 176.82 1ygd h ALA 135 N 1.22 0.87 0.02 5.19 0.00 -0.82 -0.83 119.26 124.91 1ygd h ALA 135 Ca 0.28 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1ygd h ALA 135 Cb 0.05 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1ygd h ALA 135 CO -0.04 0.36 -0.32 0.78 0.00 0.00 0.00 179.25 180.02 1ygd h GLY 136 N 0.93 -0.55 0.71 0.00 0.00 0.16 0.13 103.07 104.44 1ygd h GLY 136 Ca 0.24 0.39 0.05 0.00 0.00 0.00 0.00 47.33 48.01 1ygd h GLY 136 CO -0.04 -0.24 0.29 -2.08 0.00 0.00 0.00 176.54 174.47 1ygd h VAL 137 N -0.49 0.96 -0.04 4.60 2.07 -1.03 -0.69 116.25 121.63 1ygd h VAL 137 Ca 0.06 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1ygd h VAL 137 Cb 0.56 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1ygd h VAL 137 CO -0.26 0.10 -0.10 0.00 0.02 0.00 0.00 177.57 177.34 1ygd h ALA 138 N 1.30 -0.07 -0.78 1.67 0.00 -0.32 0.10 119.26 121.16 1ygd h ALA 138 Ca 0.24 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.25 1ygd h ALA 138 Cb 0.15 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1ygd h ALA 138 CO -0.17 -0.58 0.51 -0.91 0.00 0.00 0.00 179.25 178.11 1ygd h ASN 139 N -0.15 0.70 0.20 0.00 2.35 -0.23 -1.60 115.58 116.86 1ygd h ASN 139 Ca 0.05 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 1ygd h ASN 139 Cb 0.22 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1ygd h ASN 139 CO -0.13 0.44 -0.49 0.00 -1.65 0.00 0.00 177.43 175.60 1ygd h ALA 140 N 1.59 0.93 0.00 -0.83 0.00 0.09 -1.99 119.26 119.04 1ygd h ALA 140 Ca 0.34 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ygd h ALA 140 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ygd h ALA 140 CO -0.12 0.66 0.00 -0.07 0.00 0.00 0.00 179.25 179.71 1ygd h LEU 141 N 0.27 0.00 0.00 0.00 3.38 0.02 -3.01 115.31 115.97 1ygd h LEU 141 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ygd h LEU 141 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1ygd h LEU 141 CO 0.08 0.00 -0.87 0.00 0.09 0.00 0.00 178.44 177.74 1ygd n ALA 142 N -1.94 4.03 -0.24 1.53 0.00 -0.69 -4.52 120.51 118.68 1ygd n ALA 142 Ca 0.03 -0.47 -0.05 0.00 0.00 0.00 0.00 53.44 52.95 1ygd n ALA 142 Cb 0.38 -0.93 0.10 0.00 0.00 0.00 0.00 19.45 19.00 1ygd n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1ygd h HIS 143 N 0.00 1.11 -0.20 0.00 2.07 -1.24 -2.62 115.15 114.28 1ygd h HIS 143 Ca 0.00 -0.09 0.00 0.00 -2.85 0.00 0.00 60.37 57.43 1ygd h HIS 143 Cb 0.56 -0.33 0.00 0.00 2.57 0.00 0.00 27.41 30.21 1ygd h HIS 143 CO 0.00 0.87 0.00 1.63 -3.07 0.00 0.00 177.93 177.36 1ygd n LYS 144 N -4.27 1.49 -2.46 5.12 4.76 -1.26 -4.89 118.16 116.65 1ygd n LYS 144 Ca 0.06 -0.71 -0.41 0.00 -2.87 0.00 0.00 58.31 54.38 1ygd n LYS 144 Cb 0.21 -1.18 -0.04 0.00 -1.84 0.00 0.00 35.03 32.18 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 -1.72 3.55 0.00 2.13 1.51 -0.99 -4.64 117.35 117.18 1ygd s TYR 145 Ca 0.13 1.64 0.00 0.00 -1.01 0.00 0.00 57.07 57.84 1ygd s TYR 145 Cb 0.07 -3.31 0.00 0.00 -0.11 0.00 0.00 41.96 38.61 1ygd s TYR 145 CO 0.09 -0.68 0.00 -2.39 -1.11 0.00 0.00 175.55 171.46