#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yg5 n HIS 2 N 0.00 1.15 -3.64 1.12 -0.00 -1.26 -4.82 115.22 107.77 1yg5 n HIS 2 Ca 0.00 -1.50 -0.39 0.00 -0.00 0.00 0.00 57.72 55.83 1yg5 n HIS 2 Cb 0.00 -1.40 -0.10 0.00 -0.00 0.00 0.00 29.99 28.49 1yg5 n HIS 2 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1yg5 s LEU 3 N 0.42 5.28 0.82 0.27 2.96 -1.26 -5.06 118.68 122.13 1yg5 s LEU 3 Ca 0.42 -1.73 -0.11 0.00 -0.22 0.00 0.00 54.13 52.49 1yg5 s LEU 3 Cb 0.10 -1.95 0.09 0.00 0.50 0.00 0.00 46.19 44.93 1yg5 s LEU 3 CO 0.07 -0.57 1.09 0.42 -1.32 0.00 0.00 176.35 176.03 1yg5 s THR 4 N 1.34 3.05 0.12 3.68 -4.23 -1.26 -4.71 115.64 113.63 1yg5 s THR 4 Ca 0.04 0.34 -0.21 0.00 -1.18 0.00 0.00 61.69 60.68 1yg5 s THR 4 Cb -0.24 -2.88 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 1yg5 s THR 4 CO -0.00 -0.45 1.69 -0.65 -0.54 0.00 0.00 174.62 174.67 1yg5 h PRO 5 N -1.28 -0.09 -0.06 3.99 0.11 -1.98 0.13 132.00 132.82 1yg5 h PRO 5 Ca -0.47 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1yg5 h PRO 5 Cb 1.26 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1yg5 h PRO 5 CO 0.54 -0.06 -0.04 0.93 -0.21 0.00 0.00 178.00 179.16 1yg5 h GLU 6 N -0.10 -0.01 -0.31 1.05 4.39 -1.98 0.78 114.58 118.40 1yg5 h GLU 6 Ca 0.08 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.83 1yg5 h GLU 6 Cb 0.21 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.79 1yg5 h GLU 6 CO -0.19 -0.00 -0.54 0.93 -1.16 0.00 0.00 179.01 178.05 1yg5 h GLU 7 N -0.01 -0.44 -0.25 2.33 5.08 -1.84 0.28 114.58 119.74 1yg5 h GLU 7 Ca 0.01 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1yg5 h GLU 7 Cb 0.03 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 1yg5 h GLU 7 CO -0.06 -0.29 -0.54 -0.22 -1.00 0.00 0.00 179.01 176.90 1yg5 h LYS 8 N -0.46 -0.49 -0.90 2.33 3.64 -0.31 0.71 116.57 121.10 1yg5 h LYS 8 Ca 0.07 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.63 1yg5 h LYS 8 Cb 0.63 0.11 -0.16 0.00 -0.41 0.00 0.00 32.23 32.40 1yg5 h LYS 8 CO -0.54 -0.32 -0.33 1.03 -2.27 0.00 0.00 179.45 177.01 1yg5 h SER 9 N -0.50 -1.22 -0.58 4.20 0.87 0.19 0.39 113.55 116.90 1yg5 h SER 9 Ca 0.05 0.29 -0.10 0.00 -1.23 0.00 0.00 61.79 60.80 1yg5 h SER 9 Cb 0.65 0.67 -0.02 0.00 -0.44 0.00 0.00 62.40 63.25 1yg5 h SER 9 CO -0.50 -0.30 -0.02 0.00 -0.53 0.00 0.00 176.83 175.48 1yg5 h ALA 10 N 1.46 0.85 -1.55 6.23 0.00 0.90 0.14 119.26 127.28 1yg5 h ALA 10 Ca 0.35 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yg5 h ALA 10 Cb 0.61 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1yg5 h ALA 10 CO -0.92 0.67 0.00 0.28 0.00 0.00 0.00 179.25 179.28 1yg5 n VAL 11 N -4.17 0.00 -0.43 0.00 0.31 0.23 -1.96 118.33 112.32 1yg5 n VAL 11 Ca 0.03 1.22 0.38 0.00 -0.01 0.00 0.00 64.34 65.95 1yg5 n VAL 11 Cb 0.36 -2.21 0.65 0.00 -0.91 0.00 0.00 33.84 31.73 1yg5 n VAL 11 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1yg5 n THR 12 N -1.22 -0.29 0.26 2.52 -1.04 0.10 -1.19 114.28 113.41 1yg5 n THR 12 Ca 0.00 1.84 -0.10 0.00 -2.04 0.00 0.00 64.05 63.75 1yg5 n THR 12 Cb 0.00 -3.01 -0.05 0.00 -1.82 0.00 0.00 70.33 65.45 1yg5 n THR 12 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yg5 h ALA 13 N 1.68 -0.99 -0.88 2.41 0.00 -0.51 -2.93 119.26 118.04 1yg5 h ALA 13 Ca 0.86 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.84 1yg5 h ALA 13 Cb 2.65 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 20.64 1yg5 h ALA 13 CO -0.54 -0.95 0.59 1.25 0.00 0.00 0.00 179.25 179.61 1yg5 h LEU 14 N -0.78 0.31 -1.05 0.00 5.85 -0.48 -2.55 115.31 116.61 1yg5 h LEU 14 Ca -0.07 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.73 1yg5 h LEU 14 Cb 0.51 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 1yg5 h LEU 14 CO 0.11 0.12 0.64 -0.25 -0.34 0.00 0.00 178.44 178.72 1yg5 h TRP 15 N 0.31 1.18 -0.00 1.25 2.91 -1.29 -1.93 115.95 118.38 1yg5 h TRP 15 Ca 0.45 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.50 1yg5 h TRP 15 Cb 1.27 -0.39 -0.00 0.00 -0.51 0.00 0.00 29.16 29.53 1yg5 h TRP 15 CO -0.00 0.66 0.00 0.78 -1.03 0.00 0.00 178.44 178.85 1yg5 h GLY 16 N 1.20 0.00 0.17 2.65 0.00 -1.46 0.02 103.07 105.64 1yg5 h GLY 16 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1yg5 h GLY 16 CO -0.13 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.69 1yg5 n LYS 17 N -3.10 1.36 -3.45 4.80 5.02 -0.73 -4.91 118.16 117.15 1yg5 n LYS 17 Ca -0.03 -0.52 -0.37 0.00 -2.02 0.00 0.00 58.31 55.37 1yg5 n LYS 17 Cb 0.07 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.54 1yg5 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yg5 s VAL 18 N -1.99 5.25 -1.04 -0.18 1.01 -0.01 -4.99 120.40 118.46 1yg5 s VAL 18 Ca 0.41 0.71 -0.23 0.00 0.00 0.00 0.00 61.98 62.88 1yg5 s VAL 18 Cb 0.21 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.90 1yg5 s VAL 18 CO 0.34 0.37 1.63 0.21 0.00 0.00 0.00 175.10 177.65 1yg5 s ASN 19 N 0.47 6.15 0.12 3.32 3.84 -1.26 -4.84 114.94 122.74 1yg5 s ASN 19 Ca 0.20 -1.41 -0.25 0.00 0.21 0.00 0.00 52.86 51.61 1yg5 s ASN 19 Cb -0.14 -2.57 -0.06 0.00 -0.55 0.00 0.00 41.25 37.93 1yg5 s ASN 19 CO 0.07 -1.84 1.44 0.58 -2.79 0.00 0.00 177.10 174.55 1yg5 h VAL 20 N 6.71 0.00 -0.72 -5.21 2.07 -1.94 -0.37 116.25 116.80 1yg5 h VAL 20 Ca 0.21 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.82 1yg5 h VAL 20 Cb 0.99 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.64 1yg5 h VAL 20 CO 1.37 0.00 -0.50 0.44 0.02 0.00 0.00 177.57 178.90 1yg5 h ASP 21 N -0.07 -1.75 1.16 0.57 3.32 -1.94 -2.75 116.42 114.96 1yg5 h ASP 21 Ca 0.11 0.28 -0.10 0.00 0.02 0.00 0.00 57.03 57.34 1yg5 h ASP 21 Cb 0.36 0.79 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1yg5 h ASP 21 CO -0.70 -0.31 -0.49 1.05 -1.72 0.00 0.00 179.24 177.07 1yg5 h GLU 22 N -0.17 0.00 -0.26 3.56 4.11 -1.78 -3.32 114.58 116.72 1yg5 h GLU 22 Ca 0.18 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.48 1yg5 h GLU 22 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1yg5 h GLU 22 CO -0.78 0.49 -0.36 0.28 0.07 0.00 0.00 179.01 178.70 1yg5 h VAL 23 N 0.00 1.29 -0.42 -1.06 2.07 -0.80 -1.77 116.25 115.56 1yg5 h VAL 23 Ca -0.00 -1.50 -0.15 0.00 0.82 0.00 0.00 66.70 65.87 1yg5 h VAL 23 Cb 1.20 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 1yg5 h VAL 23 CO 0.06 0.48 -0.31 1.23 0.02 0.00 0.00 177.57 179.05 1yg5 h GLY 24 N 1.03 1.04 0.88 2.17 0.00 -1.63 -0.93 103.07 105.62 1yg5 h GLY 24 Ca 0.05 -1.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.37 1yg5 h GLY 24 CO 0.07 0.91 -0.12 -1.33 0.00 0.00 0.00 176.54 176.07 1yg5 h GLY 25 N 0.78 -0.34 -0.55 4.60 0.00 -1.63 -0.54 103.07 105.38 1yg5 h GLY 25 Ca 0.08 0.13 0.24 0.00 0.00 0.00 0.00 47.33 47.77 1yg5 h GLY 25 CO 0.08 -0.12 0.17 0.83 0.00 0.00 0.00 176.54 177.50 1yg5 h GLU 26 N -0.46 0.14 0.20 4.80 4.39 -0.54 -1.52 114.58 121.59 1yg5 h GLU 26 Ca -0.03 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1yg5 h GLU 26 Cb 0.34 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1yg5 h GLU 26 CO 0.05 0.09 -0.09 0.00 -1.16 0.00 0.00 179.01 177.90 1yg5 h ALA 27 N 1.82 -0.26 -0.26 3.43 0.00 -0.81 0.39 119.26 123.56 1yg5 h ALA 27 Ca 0.55 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1yg5 h ALA 27 Cb 1.11 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1yg5 h ALA 27 CO -0.71 -0.36 0.01 1.25 0.00 0.00 0.00 179.25 179.44 1yg5 h LEU 28 N -0.84 0.35 0.61 0.00 5.85 -0.87 0.27 115.31 120.68 1yg5 h LEU 28 Ca -0.03 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1yg5 h LEU 28 Cb 0.52 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1yg5 h LEU 28 CO 0.04 0.41 -0.33 1.23 -0.34 0.00 0.00 178.44 179.45 1yg5 h GLY 29 N 0.68 -0.98 0.96 3.75 0.00 -1.24 -0.88 103.07 105.36 1yg5 h GLY 29 Ca 0.09 0.38 0.10 0.00 0.00 0.00 0.00 47.33 47.90 1yg5 h GLY 29 CO 0.00 -0.34 0.44 3.21 0.00 0.00 0.00 176.54 179.85 1yg5 h ARG 30 N -0.87 0.45 -0.58 4.80 3.08 0.41 -0.59 114.38 121.09 1yg5 h ARG 30 Ca -0.08 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.03 1yg5 h ARG 30 Cb 0.68 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.55 1yg5 h ARG 30 CO 0.11 0.30 0.20 1.25 -1.07 0.00 0.00 179.97 180.76 1yg5 h LEU 31 N 0.46 0.18 -1.41 3.04 5.85 0.04 0.31 115.31 123.79 1yg5 h LEU 31 Ca 0.30 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 59.04 1yg5 h LEU 31 Cb 0.57 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1yg5 h LEU 31 CO -0.09 0.12 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.77 1yg5 h LEU 32 N 0.37 0.00 0.16 2.25 3.38 0.26 -1.41 115.31 120.33 1yg5 h LEU 32 Ca 0.29 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.96 1yg5 h LEU 32 Cb 0.36 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1yg5 h LEU 32 CO -0.31 0.29 -1.53 0.58 0.09 0.00 0.00 178.44 177.56 1yg5 h VAL 33 N 0.00 1.03 0.01 1.22 2.07 0.16 -3.34 116.25 117.40 1yg5 h VAL 33 Ca -0.00 -2.47 -0.22 0.00 0.82 0.00 0.00 66.70 64.82 1yg5 h VAL 33 Cb 0.58 2.79 -0.03 0.00 -1.52 0.00 0.00 31.29 33.11 1yg5 h VAL 33 CO 0.04 0.78 -1.07 0.58 0.02 0.00 0.00 177.57 177.92 1yg5 h VAL 34 N -0.10 1.64 -2.16 2.57 2.07 -0.37 -3.34 116.25 116.55 1yg5 h VAL 34 Ca -0.31 -3.35 -0.58 0.00 0.82 0.00 0.00 66.70 63.28 1yg5 h VAL 34 Cb 1.93 2.82 -0.40 0.00 -1.52 0.00 0.00 31.29 34.12 1yg5 h VAL 34 CO 0.13 0.94 -0.90 -1.22 0.02 0.00 0.00 177.57 176.54 1yg5 n TYR 35 N -3.34 1.10 -0.45 1.57 4.01 -0.54 -4.96 117.16 114.55 1yg5 n TYR 35 Ca -0.02 -3.77 0.40 0.00 -0.16 0.00 0.00 57.90 54.35 1yg5 n TYR 35 Cb 0.95 -0.38 0.62 0.00 -0.31 0.00 0.00 39.34 40.22 1yg5 n TYR 35 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1yg5 n PRO 36 N 1.39 0.01 0.24 -0.72 -0.01 -1.25 -1.11 135.00 133.54 1yg5 n PRO 36 Ca 0.25 1.05 0.09 0.00 -0.01 0.00 0.00 63.50 64.87 1yg5 n PRO 36 Cb 0.48 -2.51 0.59 0.00 -0.01 0.00 0.00 33.50 32.05 1yg5 n PRO 36 CO 0.00 0.00 0.00 1.12 -0.01 0.00 0.00 175.50 176.61 1yg5 h HIS 37 N 0.00 0.00 -0.80 6.00 2.07 -1.91 -2.47 115.15 118.04 1yg5 h HIS 37 Ca 0.71 0.00 0.04 0.00 -2.85 0.00 0.00 60.37 58.27 1yg5 h HIS 37 Cb 3.34 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 33.27 1yg5 h HIS 37 CO 0.00 0.19 0.52 1.79 -3.07 0.00 0.00 177.93 177.36 1yg5 h THR 38 N 0.00 1.10 -0.99 6.12 1.35 -1.44 -2.78 112.91 116.26 1yg5 h THR 38 Ca -0.00 -0.33 0.29 0.00 -0.55 0.00 0.00 66.41 65.82 1yg5 h THR 38 Cb 0.42 0.07 -0.04 0.00 -1.73 0.00 0.00 68.15 66.87 1yg5 h THR 38 CO 0.02 0.17 1.14 0.00 -0.25 0.00 0.00 175.52 176.61 1yg5 n GLN 39 N -4.46 0.01 0.00 4.72 6.02 -0.93 -1.09 117.38 121.66 1yg5 n GLN 39 Ca 0.11 0.95 0.01 0.00 -0.01 0.00 0.00 57.00 58.05 1yg5 n GLN 39 Cb 0.14 -2.35 0.03 0.00 1.02 0.00 0.00 30.24 29.09 1yg5 n GLN 39 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1yg5 n ARG 40 N -3.12 0.60 -0.00 -1.09 1.85 -1.05 -1.45 116.66 112.39 1yg5 n ARG 40 Ca 0.22 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 57.13 1yg5 n ARG 40 Cb 1.44 -1.03 -0.09 0.00 -1.05 0.00 0.00 32.46 31.73 1yg5 n ARG 40 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1yg5 n PHE 41 N -0.53 0.00 -2.48 2.89 3.72 -0.25 -4.68 117.46 116.14 1yg5 n PHE 41 Ca 0.01 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.17 1yg5 n PHE 41 Cb 0.00 -0.24 0.01 0.00 -0.94 0.00 0.00 39.48 38.31 1yg5 n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1yg5 n PHE 42 N -1.83 3.04 -0.03 1.38 3.72 -0.53 -4.80 117.46 118.40 1yg5 n PHE 42 Ca -0.02 -3.00 0.17 0.00 -0.05 0.00 0.00 57.45 54.56 1yg5 n PHE 42 Cb 0.30 -0.14 0.62 0.00 -0.94 0.00 0.00 39.48 39.32 1yg5 n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1yg5 h GLU 43 N 2.61 0.14 0.00 -1.08 5.08 -1.84 0.22 114.58 119.72 1yg5 h GLU 43 Ca 0.24 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1yg5 h GLU 43 Cb 1.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1yg5 h GLU 43 CO 0.79 0.09 0.00 -1.13 -1.00 0.00 0.00 179.01 177.76 1yg5 n SER 44 N -4.42 0.00 -0.05 1.42 3.41 -1.26 -2.61 113.62 110.11 1yg5 n SER 44 Ca 0.10 0.14 0.16 0.00 -0.26 0.00 0.00 58.87 59.00 1yg5 n SER 44 Cb 0.53 -0.32 0.89 0.00 -0.26 0.00 0.00 64.21 65.05 1yg5 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1yg5 n PHE 45 N -1.32 0.00 0.00 7.33 3.01 0.77 -5.00 117.46 122.25 1yg5 n PHE 45 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1yg5 n PHE 45 Cb 0.13 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.58 1yg5 n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yg5 n GLY 46 N 1.04 0.57 3.70 1.37 0.00 -1.07 -4.84 105.19 105.95 1yg5 n GLY 46 Ca 0.23 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 1yg5 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yg5 s ASP 47 N -4.00 7.15 -0.04 1.61 2.15 -1.26 -4.94 116.67 117.34 1yg5 s ASP 47 Ca 0.00 1.39 0.23 0.00 0.43 0.00 0.00 52.55 54.61 1yg5 s ASP 47 Cb 0.00 -2.50 0.43 0.00 -0.30 0.00 0.00 42.92 40.55 1yg5 s ASP 47 CO 0.00 -0.28 1.18 0.18 -0.17 0.00 0.00 175.17 176.08 1yg5 n LEU 48 N 4.34 1.33 0.10 -1.34 4.77 -1.26 -4.43 117.00 120.51 1yg5 n LEU 48 Ca 0.04 -2.37 -0.17 0.00 -0.03 0.00 0.00 56.01 53.48 1yg5 n LEU 48 Cb 0.50 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.39 1yg5 n LEU 48 CO 0.50 0.68 0.00 0.77 -1.33 0.00 0.00 177.39 178.00 1yg5 h SER 49 N 1.02 0.57 -1.77 -1.43 4.64 -1.91 -3.45 113.55 111.21 1yg5 h SER 49 Ca -0.19 -0.55 -0.58 0.00 -0.47 0.00 0.00 61.79 60.01 1yg5 h SER 49 Cb 1.73 -0.18 -0.10 0.00 -0.31 0.00 0.00 62.40 63.54 1yg5 h SER 49 CO 0.08 1.39 -0.56 0.42 -0.87 0.00 0.00 176.83 177.29 1yg5 s THR 50 N -2.89 2.51 0.12 2.95 -4.23 -1.26 -5.00 115.64 107.84 1yg5 s THR 50 Ca -0.06 -1.83 -0.22 0.00 -1.18 0.00 0.00 61.69 58.40 1yg5 s THR 50 Cb 0.07 -2.91 -0.06 0.00 1.34 0.00 0.00 72.50 70.94 1yg5 s THR 50 CO 0.89 -0.11 1.69 -0.65 -0.54 0.00 0.00 174.62 175.91 1yg5 h PRO 51 N 1.63 -0.12 -0.96 3.99 0.11 -1.99 -1.97 132.00 132.69 1yg5 h PRO 51 Ca -0.43 0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.78 1yg5 h PRO 51 Cb 1.25 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.32 1yg5 h PRO 51 CO 0.69 -0.08 0.62 -0.44 -0.21 0.00 0.00 178.00 178.57 1yg5 h ASP 52 N -0.12 0.91 -0.12 -2.05 3.32 -1.97 1.34 116.42 117.72 1yg5 h ASP 52 Ca 0.07 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1yg5 h ASP 52 Cb 0.22 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1yg5 h ASP 52 CO -0.16 0.54 -0.02 0.00 -1.72 0.00 0.00 179.24 177.88 1yg5 h ALA 53 N 1.52 1.53 0.00 3.45 0.00 -1.71 -2.10 119.26 121.95 1yg5 h ALA 53 Ca 0.44 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1yg5 h ALA 53 Cb 0.35 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1yg5 h ALA 53 CO -0.20 0.34 -0.12 0.28 0.00 0.00 0.00 179.25 179.55 1yg5 h VAL 54 N 0.34 0.47 -0.19 0.00 2.07 0.10 -2.60 116.25 116.44 1yg5 h VAL 54 Ca 0.08 -1.37 0.05 0.00 0.82 0.00 0.00 66.70 66.28 1yg5 h VAL 54 Cb 0.26 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1yg5 h VAL 54 CO 0.01 0.16 0.15 0.24 0.02 0.00 0.00 177.57 178.15 1yg5 h MET 55 N -1.00 0.00 0.00 1.57 2.86 0.15 -0.09 114.93 118.43 1yg5 h MET 55 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1yg5 h MET 55 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1yg5 h MET 55 CO -0.01 0.00 -0.77 0.41 1.06 0.00 0.00 176.91 177.60 1yg5 n GLY 56 N -1.50 -1.21 3.71 8.32 0.00 -0.79 -4.85 105.19 108.87 1yg5 n GLY 56 Ca 0.02 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1yg5 n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1yg5 n ASN 57 N -1.70 3.87 0.16 1.61 2.85 -0.05 -4.85 115.26 117.15 1yg5 n ASN 57 Ca 0.04 1.06 0.04 0.00 -0.11 0.00 0.00 54.58 55.61 1yg5 n ASN 57 Cb 0.38 -1.55 0.21 0.00 1.24 0.00 0.00 39.78 40.06 1yg5 n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1yg5 h PRO 58 N 6.68 0.00 0.00 1.20 0.11 -1.91 -0.38 132.00 137.71 1yg5 h PRO 58 Ca -0.43 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.58 1yg5 h PRO 58 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1yg5 h PRO 58 CO 0.95 0.46 -0.48 0.87 -0.21 0.00 0.00 178.00 179.59 1yg5 h LYS 59 N 0.00 0.00 0.05 1.05 1.57 -1.88 -1.52 116.57 115.83 1yg5 h LYS 59 Ca -0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.56 1yg5 h LYS 59 Cb 1.10 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.43 1yg5 h LYS 59 CO 0.06 0.48 -0.86 0.28 -0.57 0.00 0.00 179.45 178.84 1yg5 h VAL 60 N 0.00 1.38 -0.30 0.50 2.07 -1.76 -2.88 116.25 115.26 1yg5 h VAL 60 Ca -0.00 -2.26 -0.01 0.00 0.82 0.00 0.00 66.70 65.25 1yg5 h VAL 60 Cb 1.12 2.66 -0.02 0.00 -1.52 0.00 0.00 31.29 33.54 1yg5 h VAL 60 CO 0.06 0.67 0.14 0.11 0.02 0.00 0.00 177.57 178.57 1yg5 h LYS 61 N 0.04 0.41 -0.07 1.57 1.57 -0.74 -1.89 116.57 117.47 1yg5 h LYS 61 Ca -0.12 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.43 1yg5 h LYS 61 Cb 1.57 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.81 1yg5 h LYS 61 CO 0.17 0.33 -0.68 0.00 -0.57 0.00 0.00 179.45 178.69 1yg5 h ALA 62 N 1.74 0.17 -0.46 3.86 0.00 -1.31 -2.81 119.26 120.46 1yg5 h ALA 62 Ca 0.11 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1yg5 h ALA 62 Cb 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1yg5 h ALA 62 CO -0.01 0.49 0.12 1.25 0.00 0.00 0.00 179.25 181.09 1yg5 h HIS 63 N 0.19 0.76 -0.47 0.00 -0.00 -1.26 -2.46 115.15 111.92 1yg5 h HIS 63 Ca -0.07 -0.09 0.09 0.00 -0.00 0.00 0.00 60.37 60.31 1yg5 h HIS 63 Cb 1.34 -0.22 -0.09 0.00 -0.00 0.00 0.00 27.41 28.45 1yg5 h HIS 63 CO 0.12 0.70 -0.09 0.78 -0.00 0.00 0.00 177.93 179.43 1yg5 h GLY 64 N 0.61 0.38 0.18 5.26 0.00 -1.39 0.48 103.07 108.60 1yg5 h GLY 64 Ca 0.14 0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.62 1yg5 h GLY 64 CO 0.00 -0.17 -0.49 1.70 0.00 0.00 0.00 176.54 177.58 1yg5 h LYS 65 N 0.03 -0.70 -0.60 4.80 3.64 -1.18 -0.28 116.57 122.28 1yg5 h LYS 65 Ca 0.23 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.78 1yg5 h LYS 65 Cb 0.35 0.16 -0.12 0.00 -0.41 0.00 0.00 32.23 32.21 1yg5 h LYS 65 CO -0.46 -0.47 -0.21 0.87 -2.27 0.00 0.00 179.45 176.91 1yg5 h LYS 66 N -0.72 -0.06 0.11 1.90 1.57 -0.64 0.45 116.57 119.19 1yg5 h LYS 66 Ca 0.01 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1yg5 h LYS 66 Cb 0.74 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 1yg5 h LYS 66 CO -0.27 -0.04 -0.23 0.28 -0.57 0.00 0.00 179.45 178.62 1yg5 h VAL 67 N -0.06 0.49 0.00 0.50 2.07 -0.52 0.06 116.25 118.79 1yg5 h VAL 67 Ca 0.28 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.80 1yg5 h VAL 67 Cb 0.49 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1yg5 h VAL 67 CO -0.65 0.00 -0.00 -0.07 0.02 0.00 0.00 177.57 176.87 1yg5 h LEU 68 N -0.42 0.00 -0.23 2.57 3.38 0.31 -0.79 115.31 120.13 1yg5 h LEU 68 Ca 0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1yg5 h LEU 68 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1yg5 h LEU 68 CO -0.13 0.00 -0.22 1.23 0.09 0.00 0.00 178.44 179.41 1yg5 h GLY 69 N 0.34 0.60 2.00 0.83 0.00 0.17 -2.13 103.07 104.88 1yg5 h GLY 69 Ca -0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 1yg5 h GLY 69 CO 0.00 0.55 -0.55 0.00 0.00 0.00 0.00 176.54 176.54 1yg5 h ALA 70 N 0.67 0.76 0.09 3.60 0.00 -0.09 -1.82 119.26 122.47 1yg5 h ALA 70 Ca 0.04 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1yg5 h ALA 70 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1yg5 h ALA 70 CO 0.05 0.68 -0.04 0.35 0.00 0.00 0.00 179.25 180.30 1yg5 h PHE 71 N 0.00 -0.11 -0.23 0.00 3.04 -1.19 -1.27 116.94 117.19 1yg5 h PHE 71 Ca -0.01 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.00 1yg5 h PHE 71 Cb 1.24 0.04 -0.07 0.00 2.56 0.00 0.00 35.95 39.72 1yg5 h PHE 71 CO 0.00 0.16 -0.26 0.77 -2.02 0.00 0.00 178.31 176.97 1yg5 h SER 72 N -0.38 -0.82 -0.73 0.41 0.02 -1.08 0.43 113.55 111.40 1yg5 h SER 72 Ca -0.01 0.14 0.10 0.00 -0.84 0.00 0.00 61.79 61.18 1yg5 h SER 72 Cb 0.32 0.38 -0.05 0.00 0.14 0.00 0.00 62.40 63.19 1yg5 h SER 72 CO 0.02 -0.29 0.48 0.44 -1.14 0.00 0.00 176.83 176.34 1yg5 h ASP 73 N -0.27 0.56 -0.31 3.07 3.32 -1.22 0.02 116.42 121.59 1yg5 h ASP 73 Ca 0.13 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 1yg5 h ASP 73 Cb 0.48 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1yg5 h ASP 73 CO -0.39 0.33 -0.14 1.23 -1.72 0.00 0.00 179.24 178.56 1yg5 h GLY 74 N 0.62 0.81 1.90 2.75 0.00 0.10 -2.23 103.07 107.01 1yg5 h GLY 74 Ca 0.34 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1yg5 h GLY 74 CO -0.12 0.57 0.00 1.04 0.00 0.00 0.00 176.54 178.03 1yg5 n LEU 75 N -4.15 0.00 -0.53 3.11 4.77 -0.05 -0.98 117.00 119.17 1yg5 n LEU 75 Ca 0.01 0.45 0.13 0.00 -0.03 0.00 0.00 56.01 56.56 1yg5 n LEU 75 Cb 0.38 -0.45 0.27 0.00 -2.33 0.00 0.00 43.42 41.29 1yg5 n LEU 75 CO 0.43 -0.24 0.63 0.00 -1.33 0.00 0.00 177.39 176.88 1yg5 n ALA 76 N -1.45 2.91 -2.56 -1.18 0.00 -0.85 -4.12 120.51 113.25 1yg5 n ALA 76 Ca 0.04 -0.53 -0.10 0.00 0.00 0.00 0.00 53.44 52.85 1yg5 n ALA 76 Cb 0.15 -0.99 0.03 0.00 0.00 0.00 0.00 19.45 18.64 1yg5 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yg5 n HIS 77 N 0.17 1.82 -0.06 0.00 8.25 -0.15 -4.95 115.22 120.30 1yg5 n HIS 77 Ca 0.14 -2.34 0.25 0.00 -0.26 0.00 0.00 57.72 55.51 1yg5 n HIS 77 Cb 0.43 -0.27 0.70 0.00 1.12 0.00 0.00 29.99 31.97 1yg5 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1yg5 h LEU 78 N 2.55 0.00 -2.77 2.41 3.38 -1.65 -0.69 115.31 118.54 1yg5 h LEU 78 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1yg5 h LEU 78 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1yg5 h LEU 78 CO 0.44 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.44 1yg5 n ASP 79 N -3.79 4.18 -2.75 -0.43 8.00 -1.26 -4.24 116.55 116.26 1yg5 n ASP 79 Ca 0.14 -2.27 -0.09 0.00 0.71 0.00 0.00 54.79 53.28 1yg5 n ASP 79 Cb 0.91 -0.52 0.07 0.00 -0.02 0.00 0.00 41.12 41.56 1yg5 n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1yg5 n ASN 80 N 1.20 -0.63 0.12 -2.24 2.85 -0.27 -4.98 115.26 111.31 1yg5 n ASN 80 Ca 0.24 -2.80 -0.13 0.00 -0.11 0.00 0.00 54.58 51.78 1yg5 n ASN 80 Cb 0.75 0.50 -0.08 0.00 1.24 0.00 0.00 39.78 42.18 1yg5 n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1yg5 h LEU 81 N 2.58 -0.26 -0.84 1.20 3.38 -1.73 -2.75 115.31 116.88 1yg5 h LEU 81 Ca -0.15 -0.19 0.21 0.00 0.09 0.00 0.00 57.88 57.84 1yg5 h LEU 81 Cb 1.19 0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.87 1yg5 h LEU 81 CO 0.20 0.05 0.10 0.11 0.09 0.00 0.00 178.44 179.00 1yg5 h LYS 82 N -0.59 0.13 0.57 1.13 1.57 -1.93 -0.30 116.57 117.15 1yg5 h LYS 82 Ca -0.03 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1yg5 h LYS 82 Cb 0.43 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.72 1yg5 h LYS 82 CO 0.05 0.08 -0.27 0.78 -0.57 0.00 0.00 179.45 179.52 1yg5 h GLY 83 N 0.13 -0.80 -0.94 3.86 0.00 -1.93 -0.25 103.07 103.15 1yg5 h GLY 83 Ca 0.50 0.30 0.40 0.00 0.00 0.00 0.00 47.33 48.53 1yg5 h GLY 83 CO -0.70 -0.29 0.76 -0.84 0.00 0.00 0.00 176.54 175.47 1yg5 h THR 84 N -1.05 0.16 -0.46 4.70 2.02 -1.15 0.35 112.91 117.49 1yg5 h THR 84 Ca -0.08 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1yg5 h THR 84 Cb 0.65 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1yg5 h THR 84 CO 0.13 0.02 0.00 0.49 0.37 0.00 0.00 175.52 176.53 1yg5 n PHE 85 N -4.81 0.93 0.06 3.16 3.72 -0.16 -4.57 117.46 115.79 1yg5 n PHE 85 Ca 0.36 -0.61 -0.13 0.00 -0.05 0.00 0.00 57.45 57.02 1yg5 n PHE 85 Cb 1.31 -0.15 -0.08 0.00 -0.94 0.00 0.00 39.48 39.62 1yg5 n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1yg5 h ALA 86 N 2.83 -0.09 0.00 4.37 0.00 0.16 -0.40 119.26 126.13 1yg5 h ALA 86 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1yg5 h ALA 86 Cb 1.13 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1yg5 h ALA 86 CO 0.12 -0.50 -0.18 1.79 0.00 0.00 0.00 179.25 180.47 1yg5 h THR 87 N -0.20 0.56 0.00 0.00 1.35 -1.81 -2.05 112.91 110.76 1yg5 h THR 87 Ca -0.01 -0.88 0.00 0.00 -0.55 0.00 0.00 66.41 64.97 1yg5 h THR 87 Cb 0.17 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1yg5 h THR 87 CO 0.02 0.18 -0.33 0.25 -0.25 0.00 0.00 175.52 175.38 1yg5 h LEU 88 N 0.00 0.00 0.23 3.87 5.85 -1.76 -3.05 115.31 120.45 1yg5 h LEU 88 Ca -0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1yg5 h LEU 88 Cb 0.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1yg5 h LEU 88 CO 0.02 0.01 -0.11 -1.28 -0.34 0.00 0.00 178.44 176.74 1yg5 h SER 89 N 0.00 -0.26 -0.64 1.25 0.87 -0.37 -1.13 113.55 113.27 1yg5 h SER 89 Ca 0.00 -0.24 0.12 0.00 -1.23 0.00 0.00 61.79 60.44 1yg5 h SER 89 Cb 0.95 0.07 -0.12 0.00 -0.44 0.00 0.00 62.40 62.85 1yg5 h SER 89 CO 0.00 0.25 -0.25 -0.33 -0.53 0.00 0.00 176.83 175.97 1yg5 h GLU 90 N -0.93 -0.08 0.01 2.24 5.08 -1.51 0.12 114.58 119.51 1yg5 h GLU 90 Ca -0.03 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1yg5 h GLU 90 Cb 0.49 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1yg5 h GLU 90 CO 0.05 -0.05 -0.01 1.25 -1.00 0.00 0.00 179.01 179.25 1yg5 h LEU 91 N -0.08 -0.01 -2.18 1.33 5.85 -1.59 1.45 115.31 120.07 1yg5 h LEU 91 Ca 0.28 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1yg5 h LEU 91 Cb 0.53 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1yg5 h LEU 91 CO -0.70 0.05 0.16 0.45 -0.34 0.00 0.00 178.44 178.06 1yg5 h HIS 92 N -0.07 0.00 0.00 1.25 3.86 0.38 -2.14 115.15 118.43 1yg5 h HIS 92 Ca -0.00 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.07 1yg5 h HIS 92 Cb 0.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1yg5 h HIS 92 CO -0.06 0.00 -1.29 0.00 0.86 0.00 0.00 177.93 177.44 1yg5 h ASP 94 N -1.00 0.18 0.78 0.00 3.32 0.19 -2.85 116.42 117.03 1yg5 h ASP 94 Ca -0.22 -0.34 -0.23 0.00 0.02 0.00 0.00 57.03 56.26 1yg5 h ASP 94 Cb 1.07 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 1yg5 h ASP 94 CO -0.13 0.48 -1.32 0.11 -1.72 0.00 0.00 179.24 176.65 1yg5 h LYS 95 N -0.12 0.00 -0.00 3.56 1.79 -1.50 -3.41 116.57 116.90 1yg5 h LYS 95 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1yg5 h LYS 95 Cb 0.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1yg5 h LYS 95 CO 0.01 0.66 -0.08 1.28 -1.08 0.00 0.00 179.45 180.24 1yg5 n LEU 96 N -3.16 0.24 -3.64 2.94 4.77 -1.10 -5.05 117.00 112.00 1yg5 n LEU 96 Ca -0.08 -0.57 -0.29 0.00 -0.03 0.00 0.00 56.01 55.03 1yg5 n LEU 96 Cb 0.97 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.10 1yg5 n LEU 96 CO 0.45 0.06 -0.06 1.41 -1.33 0.00 0.00 177.39 177.91 1yg5 n HIS 97 N -0.88 -1.96 -3.51 -1.77 8.25 -1.08 -4.95 115.22 109.32 1yg5 n HIS 97 Ca 0.00 0.51 -0.39 0.00 -0.26 0.00 0.00 57.72 57.59 1yg5 n HIS 97 Cb 0.03 -3.55 -0.10 0.00 1.12 0.00 0.00 29.99 27.50 1yg5 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1yg5 s VAL 98 N -3.47 5.26 0.14 1.59 1.01 -1.15 -5.03 120.40 118.74 1yg5 s VAL 98 Ca 0.45 0.17 -0.31 0.00 0.00 0.00 0.00 61.98 62.28 1yg5 s VAL 98 Cb -0.15 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.48 1yg5 s VAL 98 CO 0.85 0.13 1.83 -0.67 0.00 0.00 0.00 175.10 177.23 1yg5 n ASP 99 N 5.17 4.05 0.33 3.32 -0.08 -1.26 -4.81 116.55 123.27 1yg5 n ASP 99 Ca -0.12 1.00 0.21 0.00 -1.51 0.00 0.00 54.79 54.36 1yg5 n ASP 99 Cb 0.51 -1.55 1.11 0.00 2.34 0.00 0.00 41.12 43.52 1yg5 n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1yg5 h PRO 100 N 8.30 0.00 -0.17 -0.67 0.11 -1.98 -1.17 132.00 136.43 1yg5 h PRO 100 Ca -0.46 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.70 1yg5 h PRO 100 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1yg5 h PRO 100 CO 0.95 0.00 0.25 1.49 -0.21 0.00 0.00 178.00 180.47 1yg5 h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -1.99 -0.06 114.58 118.14 1yg5 h GLU 101 Ca 0.01 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1yg5 h GLU 101 Cb 0.12 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1yg5 h GLU 101 CO -0.00 0.00 -0.18 -0.91 -1.18 0.00 0.00 179.01 176.74 1yg5 h ASN 102 N 0.00 0.00 -0.72 1.04 4.21 -1.57 -2.62 115.58 115.93 1yg5 h ASN 102 Ca 0.08 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.55 1yg5 h ASN 102 Cb 0.57 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.74 1yg5 h ASN 102 CO -0.00 0.18 0.31 -0.26 -1.29 0.00 0.00 177.43 176.37 1yg5 h PHE 103 N 0.00 1.08 -0.51 1.19 0.04 -1.21 -0.69 116.94 116.84 1yg5 h PHE 103 Ca -0.00 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 1yg5 h PHE 103 Cb 0.51 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1yg5 h PHE 103 CO 0.00 0.81 0.21 0.00 -0.60 0.00 0.00 178.31 178.73 1yg5 h ARG 104 N 1.06 0.73 0.27 1.51 3.08 -1.58 0.38 114.38 119.84 1yg5 h ARG 104 Ca 0.25 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1yg5 h ARG 104 Cb 0.17 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1yg5 h ARG 104 CO -0.02 0.60 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.28 1yg5 h LEU 105 N 0.73 -0.31 -0.45 3.04 3.38 -1.15 -0.80 115.31 119.75 1yg5 h LEU 105 Ca 0.18 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.03 1yg5 h LEU 105 Cb 0.14 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 1yg5 h LEU 105 CO -0.02 0.08 -0.12 0.25 0.09 0.00 0.00 178.44 178.71 1yg5 h LEU 106 N -0.74 -0.46 -0.51 1.67 5.85 -1.13 -0.15 115.31 119.84 1yg5 h LEU 106 Ca -0.04 0.14 0.08 0.00 0.84 0.00 0.00 57.88 58.91 1yg5 h LEU 106 Cb 0.49 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 41.75 1yg5 h LEU 106 CO 0.06 -0.16 0.13 1.23 -0.34 0.00 0.00 178.44 179.36 1yg5 h GLY 107 N -0.02 0.65 2.00 3.75 0.00 -0.69 0.69 103.07 109.45 1yg5 h GLY 107 Ca 0.22 -0.05 -0.13 0.00 0.00 0.00 0.00 47.33 47.37 1yg5 h GLY 107 CO -0.47 -0.05 -0.63 3.43 0.00 0.00 0.00 176.54 178.82 1yg5 h ASN 108 N 0.27 0.00 0.05 0.19 2.35 -0.76 -1.30 115.58 116.38 1yg5 h ASN 108 Ca 0.26 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.91 1yg5 h ASN 108 Cb 0.33 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 1yg5 h ASN 108 CO -0.31 0.63 -0.31 0.58 -1.65 0.00 0.00 177.43 176.37 1yg5 h VAL 109 N 0.00 1.28 0.40 2.81 2.07 0.73 -0.93 116.25 122.61 1yg5 h VAL 109 Ca -0.01 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 1yg5 h VAL 109 Cb 1.14 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1yg5 h VAL 109 CO 0.08 0.41 -0.19 0.25 0.02 0.00 0.00 177.57 178.14 1yg5 h LEU 110 N 0.33 -0.45 -1.08 2.57 5.85 0.93 0.12 115.31 123.58 1yg5 h LEU 110 Ca 0.04 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.94 1yg5 h LEU 110 Cb 0.71 0.12 -0.09 0.00 0.37 0.00 0.00 40.66 41.76 1yg5 h LEU 110 CO 0.05 -0.31 0.62 0.58 -0.34 0.00 0.00 178.44 179.04 1yg5 h VAL 111 N -0.55 0.78 -0.75 1.05 2.07 -0.75 0.24 116.25 118.34 1yg5 h VAL 111 Ca -0.05 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1yg5 h VAL 111 Cb 0.42 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.07 1yg5 h VAL 111 CO 0.09 0.15 0.30 0.00 0.02 0.00 0.00 177.57 178.13 1yg5 h VAL 113 N 1.08 1.29 -0.62 0.00 2.07 0.15 -2.15 116.25 118.07 1yg5 h VAL 113 Ca 0.25 -1.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 1yg5 h VAL 113 Cb 0.21 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1yg5 h VAL 113 CO -0.02 0.52 0.09 -0.07 0.02 0.00 0.00 177.57 178.11 1yg5 h LEU 114 N 0.61 1.00 -1.69 2.57 3.38 -1.18 -1.93 115.31 118.06 1yg5 h LEU 114 Ca 0.04 -0.27 0.23 0.00 0.09 0.00 0.00 57.88 57.98 1yg5 h LEU 114 Cb 0.98 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1yg5 h LEU 114 CO 0.09 1.01 0.62 0.00 0.09 0.00 0.00 178.44 180.25 1yg5 h ALA 115 N 1.02 2.47 0.06 1.53 0.00 -0.64 -1.00 119.26 122.71 1yg5 h ALA 115 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.85 1yg5 h ALA 115 Cb 0.44 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1yg5 h ALA 115 CO 0.01 -0.76 -1.21 1.25 0.00 0.00 0.00 179.25 178.54 1yg5 h HIS 116 N 0.24 0.25 0.12 0.00 -0.00 -0.88 -2.42 115.15 112.45 1yg5 h HIS 116 Ca 0.47 -0.18 -0.27 0.00 -0.00 0.00 0.00 60.37 60.38 1yg5 h HIS 116 Cb 1.43 -0.01 0.01 0.00 -0.00 0.00 0.00 27.41 28.84 1yg5 h HIS 116 CO -0.00 1.16 -1.21 0.45 -0.00 0.00 0.00 177.93 178.33 1yg5 h HIS 117 N 0.04 0.61 -0.01 5.26 -0.00 -0.86 -3.38 115.15 116.80 1yg5 h HIS 117 Ca -0.11 -0.41 0.00 0.00 -0.00 0.00 0.00 60.37 59.85 1yg5 h HIS 117 Cb 1.90 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 29.27 1yg5 h HIS 117 CO 0.03 1.30 -0.58 1.19 -0.00 0.00 0.00 177.93 179.87 1yg5 n PHE 118 N -3.62 0.00 -2.42 2.45 3.72 -0.75 -5.06 117.46 111.79 1yg5 n PHE 118 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1yg5 n PHE 118 Cb 0.99 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.53 1yg5 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yg5 n GLY 119 N 1.34 1.73 0.42 1.37 0.00 -0.91 -2.51 105.19 106.62 1yg5 n GLY 119 Ca 0.06 -0.41 0.34 0.00 0.00 0.00 0.00 46.02 46.01 1yg5 n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1yg5 n LYS 120 N 9.61 -0.02 0.25 1.61 0.00 -1.26 0.12 118.16 128.47 1yg5 n LYS 120 Ca 0.00 0.94 0.16 0.00 -0.00 0.00 0.00 58.31 59.41 1yg5 n LYS 120 Cb 0.00 -1.92 0.63 0.00 -0.00 0.00 0.00 35.03 33.74 1yg5 n LYS 120 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1yg5 h GLU 121 N 0.00 0.00 -2.80 -1.58 5.08 -1.88 -3.07 114.58 110.33 1yg5 h GLU 121 Ca 0.69 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 58.45 1yg5 h GLU 121 Cb 2.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.64 1yg5 h GLU 121 CO -0.27 0.00 3.06 0.34 -1.00 0.00 0.00 179.01 181.14 1yg5 n PHE 122 N -2.93 2.09 -0.94 4.33 7.35 0.12 -4.94 117.46 122.53 1yg5 n PHE 122 Ca 0.01 -2.83 -0.32 0.00 -0.76 0.00 0.00 57.45 53.55 1yg5 n PHE 122 Cb 0.30 -2.28 0.14 0.00 0.35 0.00 0.00 39.48 37.99 1yg5 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yg5 s THR 123 N 1.56 2.18 0.14 -2.13 -4.23 -1.16 -4.61 115.64 107.40 1yg5 s THR 123 Ca 0.68 0.07 -0.31 0.00 -1.18 0.00 0.00 61.69 60.94 1yg5 s THR 123 Cb 0.20 -2.30 -0.08 0.00 1.34 0.00 0.00 72.50 71.67 1yg5 s THR 123 CO -0.06 -0.07 1.56 -0.65 -0.54 0.00 0.00 174.62 174.86 1yg5 h PRO 124 N -1.36 -0.38 -0.37 3.99 0.11 -1.93 0.42 132.00 132.48 1yg5 h PRO 124 Ca -0.44 0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.77 1yg5 h PRO 124 Cb 1.28 0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.45 1yg5 h PRO 124 CO 0.44 -0.26 0.26 -1.35 -0.21 0.00 0.00 178.00 176.89 1yg5 h PRO 125 N -0.40 0.16 0.25 1.05 0.11 -1.99 0.29 132.00 131.48 1yg5 h PRO 125 Ca 0.09 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1yg5 h PRO 125 Cb 0.60 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1yg5 h PRO 125 CO -0.58 0.11 -0.12 0.28 -0.21 0.00 0.00 178.00 177.48 1yg5 h VAL 126 N 0.17 0.80 -0.94 3.15 2.07 -1.31 -2.47 116.25 117.72 1yg5 h VAL 126 Ca 0.17 -0.43 0.24 0.00 0.82 0.00 0.00 66.70 67.50 1yg5 h VAL 126 Cb 0.46 1.04 -0.13 0.00 -1.52 0.00 0.00 31.29 31.15 1yg5 h VAL 126 CO -0.03 0.09 0.48 -0.61 0.02 0.00 0.00 177.57 177.52 1yg5 h GLN 127 N -0.57 0.44 -0.32 1.57 4.15 0.72 0.25 115.11 121.36 1yg5 h GLN 127 Ca -0.03 -0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.43 1yg5 h GLN 127 Cb 0.41 -0.10 -0.08 0.00 0.21 0.00 0.00 27.48 27.93 1yg5 h GLN 127 CO 0.06 0.29 -0.24 0.00 -1.93 0.00 0.00 178.83 177.00 1yg5 h ALA 128 N 1.73 -0.07 0.00 3.38 0.00 -0.48 0.41 119.26 124.23 1yg5 h ALA 128 Ca 0.61 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.61 1yg5 h ALA 128 Cb 1.18 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1yg5 h ALA 128 CO -0.52 -0.65 -0.02 0.00 0.00 0.00 0.00 179.25 178.06 1yg5 h ALA 129 N 0.89 0.99 -0.38 0.00 0.00 -0.14 -2.08 119.26 118.55 1yg5 h ALA 129 Ca 0.16 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 1yg5 h ALA 129 Cb 0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1yg5 h ALA 129 CO -0.44 0.02 -0.29 1.88 0.00 0.00 0.00 179.25 180.43 1yg5 h TYR 130 N 0.00 1.03 -0.74 0.00 0.05 0.12 0.10 116.97 117.53 1yg5 h TYR 130 Ca -0.00 -0.28 -0.04 0.00 0.05 0.00 0.00 58.73 58.46 1yg5 h TYR 130 Cb 0.84 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 38.32 1yg5 h TYR 130 CO 0.00 1.08 0.31 1.96 -1.05 0.00 0.00 178.16 180.46 1yg5 h GLN 131 N 0.68 1.08 -0.73 4.88 1.08 -0.17 0.46 115.11 122.40 1yg5 h GLN 131 Ca 0.07 -0.18 -0.03 0.00 -1.45 0.00 0.00 58.65 57.06 1yg5 h GLN 131 Cb 0.86 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 28.08 1yg5 h GLN 131 CO 0.08 0.87 0.33 0.87 -0.95 0.00 0.00 178.83 180.03 1yg5 h LYS 132 N 1.06 1.06 -0.18 1.46 1.57 -1.22 0.15 116.57 120.47 1yg5 h LYS 132 Ca 0.25 -0.16 -0.16 0.00 -1.87 0.00 0.00 60.65 58.70 1yg5 h LYS 132 Cb 0.18 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1yg5 h LYS 132 CO -0.02 0.84 -0.52 0.28 -0.57 0.00 0.00 179.45 179.46 1yg5 h VAL 133 N 1.02 1.32 0.00 0.50 2.07 0.72 -2.66 116.25 119.22 1yg5 h VAL 133 Ca 0.25 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 1yg5 h VAL 133 Cb 0.14 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1yg5 h VAL 133 CO -0.03 0.55 -0.20 -0.37 0.02 0.00 0.00 177.57 177.54 1yg5 h VAL 134 N 0.36 0.98 -0.56 2.57 -1.51 0.05 -1.52 116.25 116.62 1yg5 h VAL 134 Ca -0.01 -0.73 -0.04 0.00 -1.23 0.00 0.00 66.70 64.69 1yg5 h VAL 134 Cb 1.14 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 31.68 1yg5 h VAL 134 CO 0.11 0.20 0.19 0.00 -1.23 0.00 0.00 177.57 176.83 1yg5 h ALA 135 N 1.80 0.73 0.91 5.19 0.00 -0.64 -1.43 119.26 125.82 1yg5 h ALA 135 Ca -0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1yg5 h ALA 135 Cb 0.39 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1yg5 h ALA 135 CO 0.03 0.38 -0.44 0.78 0.00 0.00 0.00 179.25 180.00 1yg5 h GLY 136 N 0.78 -1.27 -0.05 0.00 0.00 -1.01 -0.81 103.07 100.71 1yg5 h GLY 136 Ca 0.18 0.47 0.23 0.00 0.00 0.00 0.00 47.33 48.21 1yg5 h GLY 136 CO -0.01 -0.46 0.61 -2.08 0.00 0.00 0.00 176.54 174.60 1yg5 h VAL 137 N -1.22 0.59 -0.36 4.60 2.07 -1.34 0.30 116.25 120.89 1yg5 h VAL 137 Ca -0.12 -0.21 -0.16 0.00 0.82 0.00 0.00 66.70 67.02 1yg5 h VAL 137 Cb 0.93 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1yg5 h VAL 137 CO 0.20 0.11 -0.42 0.00 0.02 0.00 0.00 177.57 177.49 1yg5 h ALA 138 N 1.69 0.57 0.00 1.67 0.00 -0.43 -2.07 119.26 120.69 1yg5 h ALA 138 Ca 0.62 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1yg5 h ALA 138 Cb 1.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1yg5 h ALA 138 CO -0.42 0.68 -0.31 -0.91 0.00 0.00 0.00 179.25 178.29 1yg5 h ASN 139 N 0.74 0.00 0.93 0.00 2.35 0.62 -0.64 115.58 119.57 1yg5 h ASN 139 Ca 0.05 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.58 1yg5 h ASN 139 Cb 1.01 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.35 1yg5 h ASN 139 CO 0.10 0.31 -1.11 0.00 -1.65 0.00 0.00 177.43 175.08 1yg5 h ALA 140 N 1.69 0.43 0.00 -0.83 0.00 -0.41 0.27 119.26 120.40 1yg5 h ALA 140 Ca -0.00 -0.99 -0.09 0.00 0.00 0.00 0.00 54.91 53.82 1yg5 h ALA 140 Cb 0.60 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1yg5 h ALA 140 CO 0.04 1.29 -0.44 -0.07 0.00 0.00 0.00 179.25 180.07 1yg5 h LEU 141 N 0.00 0.00 0.00 0.00 3.38 -1.07 -3.13 115.31 114.49 1yg5 h LEU 141 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1yg5 h LEU 141 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1yg5 h LEU 141 CO 0.12 0.44 -0.25 0.00 0.09 0.00 0.00 178.44 178.84 1yg5 n ALA 142 N -2.30 2.54 0.43 1.53 0.00 -0.27 -4.37 120.51 118.06 1yg5 n ALA 142 Ca -0.00 -0.11 0.04 0.00 0.00 0.00 0.00 53.44 53.37 1yg5 n ALA 142 Cb 0.56 -1.35 0.22 0.00 0.00 0.00 0.00 19.45 18.88 1yg5 n ALA 142 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1yg5 n HIS 143 N -2.22 0.00 -0.23 0.00 -0.00 0.05 -2.53 115.22 110.30 1yg5 n HIS 143 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 1yg5 n HIS 143 Cb 0.44 -0.21 0.00 0.00 -0.00 0.00 0.00 29.99 30.22 1yg5 n HIS 143 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1yg5 n LYS 144 N -1.21 1.00 -1.90 1.57 4.76 -1.26 -5.02 118.16 116.10 1yg5 n LYS 144 Ca 0.05 -0.89 -0.40 0.00 -2.87 0.00 0.00 58.31 54.19 1yg5 n LYS 144 Cb 0.06 -0.89 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 1yg5 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1yg5 s TYR 145 N -0.44 2.66 0.00 2.13 1.51 -1.05 -4.79 117.35 117.36 1yg5 s TYR 145 Ca 0.00 1.28 0.00 0.00 -1.01 0.00 0.00 57.07 57.34 1yg5 s TYR 145 Cb 0.00 -3.87 0.00 0.00 -0.11 0.00 0.00 41.96 37.98 1yg5 s TYR 145 CO 0.00 -2.63 0.00 -2.39 -1.11 0.00 0.00 175.55 169.42