#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yg5 s LEU 2 N 0.00 4.53 0.22 7.52 1.43 -1.26 -5.06 118.68 126.06 1yg5 s LEU 2 Ca 0.00 1.54 0.07 0.00 -1.03 0.00 0.00 54.13 54.71 1yg5 s LEU 2 Cb 0.00 -3.25 -0.04 0.00 0.03 0.00 0.00 46.19 42.93 1yg5 s LEU 2 CO 0.00 0.12 0.13 -0.94 0.23 0.00 0.00 176.35 175.90 1yg5 s SER 3 N -0.64 5.32 0.27 2.29 1.04 -1.26 -4.95 113.70 115.77 1yg5 s SER 3 Ca 0.37 -0.28 -0.05 0.00 0.48 0.00 0.00 55.95 56.47 1yg5 s SER 3 Cb -0.22 -1.30 0.54 0.00 0.10 0.00 0.00 66.02 65.14 1yg5 s SER 3 CO 0.24 0.01 1.59 -0.65 0.98 0.00 0.00 173.24 175.41 1yg5 h PRO 4 N 1.92 0.03 -0.02 4.02 0.11 -1.98 0.65 132.00 136.72 1yg5 h PRO 4 Ca -0.48 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1yg5 h PRO 4 Cb 1.23 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.33 1yg5 h PRO 4 CO 0.61 0.02 -0.29 0.00 -0.21 0.00 0.00 178.00 178.13 1yg5 h ALA 5 N 1.89 0.07 -0.98 -0.75 0.00 -1.98 -0.62 119.26 116.88 1yg5 h ALA 5 Ca 0.49 -0.46 0.32 0.00 0.00 0.00 0.00 54.91 55.26 1yg5 h ALA 5 Cb 0.88 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.53 1yg5 h ALA 5 CO -0.86 0.13 0.46 -0.44 0.00 0.00 0.00 179.25 178.54 1yg5 h ASP 6 N -0.35 0.32 0.01 0.00 3.32 -1.49 0.53 116.42 118.75 1yg5 h ASP 6 Ca -0.03 0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1yg5 h ASP 6 Cb 0.99 0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1yg5 h ASP 6 CO 0.06 -0.21 -0.01 0.11 -1.72 0.00 0.00 179.24 177.47 1yg5 h LYS 7 N 0.22 -0.01 -1.07 3.56 1.57 1.00 -1.01 116.57 120.83 1yg5 h LYS 7 Ca 0.71 0.00 0.29 0.00 -1.87 0.00 0.00 60.65 59.78 1yg5 h LYS 7 Cb 1.64 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 33.85 1yg5 h LYS 7 CO -0.67 0.64 0.67 1.15 -0.57 0.00 0.00 179.45 180.67 1yg5 h THR 8 N -0.68 0.46 0.09 -0.16 2.02 -0.57 -1.88 112.91 112.19 1yg5 h THR 8 Ca -0.00 -0.13 -0.26 0.00 0.77 0.00 0.00 66.41 66.79 1yg5 h THR 8 Cb 0.66 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1yg5 h THR 8 CO 0.00 0.07 -1.19 0.78 0.37 0.00 0.00 175.52 175.55 1yg5 h ASN 9 N 0.38 0.31 -0.49 4.18 -0.26 -0.03 -2.86 115.58 116.80 1yg5 h ASN 9 Ca 0.64 -0.33 0.02 0.00 -0.56 0.00 0.00 56.30 56.07 1yg5 h ASN 9 Cb 1.60 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 38.73 1yg5 h ASN 9 CO -0.35 1.26 0.30 0.58 -1.06 0.00 0.00 177.43 178.15 1yg5 h VAL 10 N 0.05 1.06 -0.01 2.81 2.07 -0.42 -0.37 116.25 121.44 1yg5 h VAL 10 Ca -0.11 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1yg5 h VAL 10 Cb 1.92 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1yg5 h VAL 10 CO 0.18 0.11 0.01 0.11 0.02 0.00 0.00 177.57 178.00 1yg5 h LYS 11 N 0.59 0.02 -0.28 1.57 1.57 -1.50 0.57 116.57 119.11 1yg5 h LYS 11 Ca 0.19 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1yg5 h LYS 11 Cb 0.01 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1yg5 h LYS 11 CO -0.08 0.02 -0.01 0.00 -0.57 0.00 0.00 179.45 178.80 1yg5 h ALA 12 N 1.00 0.38 -0.02 3.86 0.00 -1.35 0.72 119.26 123.84 1yg5 h ALA 12 Ca 0.01 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1yg5 h ALA 12 Cb 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1yg5 h ALA 12 CO -0.00 0.13 -0.37 0.00 0.00 0.00 0.00 179.25 179.01 1yg5 h ALA 13 N 0.81 1.35 0.00 0.00 0.00 -0.72 -2.32 119.26 118.39 1yg5 h ALA 13 Ca 0.08 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1yg5 h ALA 13 Cb 0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1yg5 h ALA 13 CO 0.02 0.48 -0.20 2.35 0.00 0.00 0.00 179.25 181.89 1yg5 h TRP 14 N 0.03 0.00 -0.09 0.00 2.91 1.00 -2.36 115.95 117.45 1yg5 h TRP 14 Ca 0.00 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.95 1yg5 h TRP 14 Cb 0.67 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.32 1yg5 h TRP 14 CO 0.00 0.20 -0.23 0.78 -1.03 0.00 0.00 178.44 178.17 1yg5 h GLY 15 N 2.52 0.34 1.34 2.65 0.00 -0.33 -2.71 103.07 106.88 1yg5 h GLY 15 Ca -0.00 -0.43 0.03 0.00 0.00 0.00 0.00 47.33 46.93 1yg5 h GLY 15 CO 0.03 0.38 0.38 0.50 0.00 0.00 0.00 176.54 177.83 1yg5 h LYS 16 N -0.15 0.68 -0.43 4.80 1.79 -1.40 -0.30 116.57 121.57 1yg5 h LYS 16 Ca -0.00 -0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.47 1yg5 h LYS 16 Cb 0.83 -0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 31.27 1yg5 h LYS 16 CO 0.05 0.45 -0.35 0.28 -1.08 0.00 0.00 179.45 178.80 1yg5 h VAL 17 N 0.70 0.00 0.00 0.50 2.07 -1.10 -3.44 116.25 114.98 1yg5 h VAL 17 Ca 0.23 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.75 1yg5 h VAL 17 Cb 0.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1yg5 h VAL 17 CO -0.06 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.14 1yg5 n GLY 18 N -1.19 2.77 1.04 2.17 0.00 -0.12 -2.53 105.19 107.33 1yg5 n GLY 18 Ca -0.01 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.79 1yg5 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yg5 n ALA 19 N 10.01 2.30 1.36 4.61 0.00 -1.26 -3.72 120.51 133.80 1yg5 n ALA 19 Ca 0.00 -1.21 0.14 0.00 0.00 0.00 0.00 53.44 52.37 1yg5 n ALA 19 Cb 0.00 -0.72 0.48 0.00 0.00 0.00 0.00 19.45 19.22 1yg5 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yg5 n HIS 20 N 1.17 0.00 0.00 0.00 8.25 -1.05 -4.50 115.22 119.09 1yg5 n HIS 20 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 1yg5 n HIS 20 Cb 0.54 -0.11 0.00 0.00 1.12 0.00 0.00 29.99 31.53 1yg5 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yg5 n ALA 21 N -0.59 -0.04 -0.02 -1.41 0.00 -1.24 0.20 120.51 117.40 1yg5 n ALA 21 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.58 1yg5 n ALA 21 Cb 0.32 0.45 -0.01 0.00 0.00 0.00 0.00 19.45 20.22 1yg5 n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1yg5 h GLY 22 N 0.00 -2.50 -0.86 0.00 0.00 -1.85 0.99 103.07 98.85 1yg5 h GLY 22 Ca 0.00 1.10 0.12 0.00 0.00 0.00 0.00 47.33 48.55 1yg5 h GLY 22 CO 0.00 -0.94 -0.36 -2.21 0.00 0.00 0.00 176.54 173.04 1yg5 n GLU 23 N -3.08 -0.23 -0.05 4.80 2.13 -0.99 0.90 120.64 124.12 1yg5 n GLU 23 Ca 0.00 1.32 -0.08 0.00 0.66 0.00 0.00 57.16 59.06 1yg5 n GLU 23 Cb 0.02 -1.95 -0.02 0.00 0.27 0.00 0.00 31.44 29.75 1yg5 n GLU 23 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 1yg5 h TYR 24 N 0.00 -0.16 -0.83 4.31 -1.99 0.42 0.47 116.97 119.19 1yg5 h TYR 24 Ca 0.28 0.02 0.12 0.00 2.00 0.00 0.00 58.73 61.15 1yg5 h TYR 24 Cb 0.49 0.11 -0.06 0.00 2.00 0.00 0.00 36.73 39.27 1yg5 h TYR 24 CO -0.77 -0.12 0.54 0.78 -0.00 0.00 0.00 178.16 178.59 1yg5 h GLY 25 N -0.02 1.08 1.05 3.88 0.00 0.76 0.18 103.07 109.99 1yg5 h GLY 25 Ca 0.11 -0.29 -0.20 0.00 0.00 0.00 0.00 47.33 46.95 1yg5 h GLY 25 CO -0.25 0.13 -0.71 0.00 0.00 0.00 0.00 176.54 175.72 1yg5 h ALA 26 N 1.60 0.23 -0.11 3.60 0.00 0.90 -0.91 119.26 124.57 1yg5 h ALA 26 Ca 0.40 -0.58 0.03 0.00 0.00 0.00 0.00 54.91 54.76 1yg5 h ALA 26 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1yg5 h ALA 26 CO -0.16 0.56 0.08 1.49 0.00 0.00 0.00 179.25 181.22 1yg5 h GLU 27 N 0.34 0.00 -0.00 0.00 4.81 0.13 -0.63 114.58 119.22 1yg5 h GLU 27 Ca -0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1yg5 h GLU 27 Cb 1.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1yg5 h GLU 27 CO 0.14 0.00 -0.04 0.00 -0.73 0.00 0.00 179.01 178.39 1yg5 h ALA 28 N 1.94 0.01 -0.98 2.92 0.00 -0.22 -0.80 119.26 122.13 1yg5 h ALA 28 Ca 0.05 -0.37 0.16 0.00 0.00 0.00 0.00 54.91 54.75 1yg5 h ALA 28 Cb 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 1yg5 h ALA 28 CO -0.00 -0.11 0.61 -0.07 0.00 0.00 0.00 179.25 179.69 1yg5 h LEU 29 N -0.66 0.78 -0.57 0.00 3.38 -0.42 -0.05 115.31 117.78 1yg5 h LEU 29 Ca -0.00 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 1yg5 h LEU 29 Cb 0.75 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1yg5 h LEU 29 CO 0.01 0.35 -0.32 -0.08 0.09 0.00 0.00 178.44 178.49 1yg5 h GLU 30 N 0.80 0.80 -0.27 1.13 4.81 -0.85 -1.06 114.58 119.94 1yg5 h GLU 30 Ca 0.52 -0.37 -0.08 0.00 -0.13 0.00 0.00 59.36 59.30 1yg5 h GLU 30 Cb 0.76 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1yg5 h GLU 30 CO -0.30 1.00 -0.19 0.00 -0.73 0.00 0.00 179.01 178.79 1yg5 h ARG 31 N 0.67 0.48 -0.10 1.92 3.08 0.44 -0.71 114.38 120.16 1yg5 h ARG 31 Ca 0.07 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 1yg5 h ARG 31 Cb 0.86 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1yg5 h ARG 31 CO 0.08 0.65 -0.21 1.98 -1.07 0.00 0.00 179.97 181.40 1yg5 h MET 32 N 0.43 0.32 -0.72 0.04 4.05 -0.63 -1.72 114.93 116.70 1yg5 h MET 32 Ca 0.07 -0.21 -0.06 0.00 -0.28 0.00 0.00 59.70 59.22 1yg5 h MET 32 Cb 0.58 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.38 1yg5 h MET 32 CO 0.04 0.80 0.21 0.74 0.23 0.00 0.00 176.91 178.93 1yg5 h PHE 33 N -0.12 1.19 0.00 1.39 0.04 -1.07 -0.02 116.94 118.34 1yg5 h PHE 33 Ca 0.00 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 1yg5 h PHE 33 Cb 0.79 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 38.60 1yg5 h PHE 33 CO 0.11 0.95 -0.03 -0.07 -0.60 0.00 0.00 178.31 178.66 1yg5 h LEU 34 N 1.08 0.00 0.00 1.54 3.38 -1.05 -3.28 115.31 116.98 1yg5 h LEU 34 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1yg5 h LEU 34 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1yg5 h LEU 34 CO -0.00 0.03 -0.75 -1.20 0.09 0.00 0.00 178.44 176.61 1yg5 n SER 35 N -3.12 0.79 -3.11 -0.43 7.64 -0.65 -4.70 113.62 110.03 1yg5 n SER 35 Ca 0.02 -0.70 -0.21 0.00 1.01 0.00 0.00 58.87 58.99 1yg5 n SER 35 Cb 0.41 1.08 -0.05 0.00 -1.01 0.00 0.00 64.21 64.64 1yg5 n SER 35 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1yg5 n PHE 36 N -1.40 -0.88 -0.33 1.43 3.72 -0.07 -4.98 117.46 114.96 1yg5 n PHE 36 Ca 0.02 -3.25 0.26 0.00 -0.05 0.00 0.00 57.45 54.42 1yg5 n PHE 36 Cb 0.22 -0.01 0.50 0.00 -0.94 0.00 0.00 39.48 39.26 1yg5 n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1yg5 h PRO 37 N 3.95 0.25 -0.87 -1.08 0.11 -1.75 0.80 132.00 133.41 1yg5 h PRO 37 Ca 0.03 -0.02 0.18 0.00 0.11 0.00 0.00 66.00 66.31 1yg5 h PRO 37 Cb 0.91 -0.06 -0.11 0.00 0.11 0.00 0.00 31.00 31.86 1yg5 h PRO 37 CO 0.44 0.17 0.41 1.79 -0.21 0.00 0.00 178.00 180.60 1yg5 h THR 38 N 0.26 0.62 -0.32 -1.15 1.35 -1.92 0.17 112.91 111.92 1yg5 h THR 38 Ca 0.76 -0.18 0.09 0.00 -0.55 0.00 0.00 66.41 66.53 1yg5 h THR 38 Cb 1.80 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 1yg5 h THR 38 CO -0.64 0.09 0.51 0.71 -0.25 0.00 0.00 175.52 175.94 1yg5 h THR 39 N 0.52 0.20 0.00 6.82 1.35 0.31 -0.78 112.91 121.34 1yg5 h THR 39 Ca 0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.36 1yg5 h THR 39 Cb 0.83 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1yg5 h THR 39 CO -0.44 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 177.12 1yg5 n LYS 40 N -3.35 0.34 0.16 4.72 2.85 0.61 -2.25 118.16 121.23 1yg5 n LYS 40 Ca 0.05 0.07 0.13 0.00 -1.05 0.00 0.00 58.31 57.51 1yg5 n LYS 40 Cb 0.64 -1.50 0.54 0.00 -0.65 0.00 0.00 35.03 34.07 1yg5 n LYS 40 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1yg5 h THR 41 N 0.00 0.00 -0.00 0.58 1.35 -1.31 0.15 112.91 113.68 1yg5 h THR 41 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1yg5 h THR 41 Cb 0.20 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1yg5 h THR 41 CO 0.00 0.00 -0.01 -1.22 -0.25 0.00 0.00 175.52 174.04 1yg5 n TYR 42 N -2.41 0.00 -2.55 4.73 4.01 -0.96 -4.11 117.16 115.87 1yg5 n TYR 42 Ca 0.02 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.61 1yg5 n TYR 42 Cb 0.23 -0.27 0.02 0.00 -0.31 0.00 0.00 39.34 39.01 1yg5 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1yg5 n PHE 43 N -1.26 2.03 -0.03 -0.72 3.01 0.54 -4.88 117.46 116.14 1yg5 n PHE 43 Ca 0.14 -2.64 -0.01 0.00 1.01 0.00 0.00 57.45 55.95 1yg5 n PHE 43 Cb 0.24 -0.26 0.25 0.00 -0.01 0.00 0.00 39.48 39.70 1yg5 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1yg5 h PRO 44 N 2.67 0.60 0.00 -1.08 0.13 -1.71 -0.19 132.00 132.42 1yg5 h PRO 44 Ca 0.07 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1yg5 h PRO 44 Cb 1.19 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1yg5 h PRO 44 CO 0.56 0.63 0.00 -2.39 -0.23 0.00 0.00 178.00 176.57 1yg5 n HIS 45 N -4.26 0.00 -3.97 1.56 1.44 -1.26 -4.91 115.22 103.82 1yg5 n HIS 45 Ca 0.02 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.44 1yg5 n HIS 45 Cb 0.26 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.33 1yg5 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1yg5 s PHE 46 N -2.00 3.41 -0.53 -1.40 0.40 -0.08 -5.00 117.98 112.78 1yg5 s PHE 46 Ca 0.11 0.16 -0.27 0.00 -0.60 0.00 0.00 56.93 56.32 1yg5 s PHE 46 Cb 0.05 -1.69 -0.02 0.00 0.51 0.00 0.00 43.02 41.88 1yg5 s PHE 46 CO 0.08 0.55 1.79 0.34 0.70 0.00 0.00 175.22 178.68 1yg5 s ASP 47 N -2.71 5.55 -0.27 1.36 -1.08 -1.26 -4.81 116.67 113.45 1yg5 s ASP 47 Ca 0.33 0.60 0.06 0.00 -0.52 0.00 0.00 52.55 53.02 1yg5 s ASP 47 Cb -0.12 -2.53 0.53 0.00 -1.46 0.00 0.00 42.92 39.34 1yg5 s ASP 47 CO 0.26 -2.11 1.57 0.18 0.52 0.00 0.00 175.17 175.59 1yg5 n LEU 48 N 11.68 5.24 -4.83 -1.34 7.99 -1.26 -4.49 117.00 129.99 1yg5 n LEU 48 Ca 0.20 -2.74 -0.31 0.00 -0.01 0.00 0.00 56.01 53.15 1yg5 n LEU 48 Cb 0.50 -0.70 0.04 0.00 -0.11 0.00 0.00 43.42 43.15 1yg5 n LEU 48 CO 0.70 0.76 0.71 -0.94 -1.51 0.00 0.00 177.39 177.12 1yg5 s SER 49 N -0.63 5.51 -0.19 -1.43 1.04 -1.26 -4.91 113.70 111.83 1yg5 s SER 49 Ca 0.41 1.51 -0.29 0.00 0.48 0.00 0.00 55.95 58.06 1yg5 s SER 49 Cb 0.33 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.99 1yg5 s SER 49 CO 0.09 -1.34 1.86 -2.28 0.98 0.00 0.00 173.24 172.55 1yg5 s HIS 50 N -3.11 1.67 0.00 5.02 2.46 -1.26 -0.90 115.29 119.17 1yg5 s HIS 50 Ca 0.58 0.38 0.00 0.00 0.47 0.00 0.00 55.06 56.48 1yg5 s HIS 50 Cb -0.13 -4.04 0.00 0.00 -0.13 0.00 0.00 32.58 28.28 1yg5 s HIS 50 CO 0.55 -3.70 0.00 0.41 -2.47 0.00 0.00 174.74 169.53 1yg5 n GLY 51 N 5.04 0.59 3.44 1.59 0.00 -1.26 -5.05 105.19 109.54 1yg5 n GLY 51 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 1yg5 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yg5 n SER 52 N 0.00 -1.64 -0.00 1.61 2.88 -0.08 -4.91 113.62 111.48 1yg5 n SER 52 Ca 0.00 0.48 0.10 0.00 -1.33 0.00 0.00 58.87 58.12 1yg5 n SER 52 Cb 0.00 -1.20 -0.12 0.00 -0.75 0.00 0.00 64.21 62.14 1yg5 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yg5 n ALA 53 N -2.86 4.05 0.11 -1.46 0.00 -1.26 -3.26 120.51 115.83 1yg5 n ALA 53 Ca 0.08 -0.56 -0.19 0.00 0.00 0.00 0.00 53.44 52.78 1yg5 n ALA 53 Cb 0.51 -0.79 -0.15 0.00 0.00 0.00 0.00 19.45 19.03 1yg5 n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1yg5 h GLN 54 N 0.00 0.34 0.00 0.00 4.20 -1.91 -3.32 115.11 114.42 1yg5 h GLN 54 Ca 0.00 -0.58 0.00 0.00 0.06 0.00 0.00 58.65 58.13 1yg5 h GLN 54 Cb 0.67 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.66 1yg5 h GLN 54 CO 0.00 1.26 0.00 0.28 -0.67 0.00 0.00 178.83 179.70 1yg5 n VAL 55 N -3.57 0.00 -0.15 -0.54 0.31 -1.24 -2.90 118.33 110.24 1yg5 n VAL 55 Ca -0.13 1.37 -0.04 0.00 -0.01 0.00 0.00 64.34 65.54 1yg5 n VAL 55 Cb 1.05 -2.30 -0.04 0.00 -0.91 0.00 0.00 33.84 31.64 1yg5 n VAL 55 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1yg5 n LYS 56 N -1.74 -0.16 0.33 5.55 4.76 -1.20 0.22 118.16 125.92 1yg5 n LYS 56 Ca 0.00 0.57 0.22 0.00 -2.87 0.00 0.00 58.31 56.23 1yg5 n LYS 56 Cb 0.00 -0.84 1.18 0.00 -1.84 0.00 0.00 35.03 33.53 1yg5 n LYS 56 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1yg5 h GLY 57 N 0.00 0.00 0.24 0.72 0.00 -1.66 0.67 103.07 103.05 1yg5 h GLY 57 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.20 1yg5 h GLY 57 CO -0.34 0.00 -0.99 0.84 0.00 0.00 0.00 176.54 176.05 1yg5 h HIS 58 N 0.00 0.19 -0.78 5.60 -0.00 0.29 -1.31 115.15 119.15 1yg5 h HIS 58 Ca 0.00 -0.14 0.16 0.00 -0.00 0.00 0.00 60.37 60.39 1yg5 h HIS 58 Cb 0.01 -0.01 -0.11 0.00 -0.00 0.00 0.00 27.41 27.30 1yg5 h HIS 58 CO 0.00 1.39 0.28 0.78 -0.00 0.00 0.00 177.93 180.38 1yg5 h GLY 59 N -0.55 1.19 0.46 5.26 0.00 -0.44 0.78 103.07 109.77 1yg5 h GLY 59 Ca -0.24 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.04 1yg5 h GLY 59 CO -0.04 -0.17 -0.00 1.70 0.00 0.00 0.00 176.54 178.03 1yg5 h LYS 60 N 0.38 0.09 0.00 4.80 1.63 0.41 0.34 116.57 124.22 1yg5 h LYS 60 Ca 0.45 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 60.22 1yg5 h LYS 60 Cb 0.74 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.35 1yg5 h LYS 60 CO -0.47 0.06 -0.10 0.87 -3.45 0.00 0.00 179.45 176.36 1yg5 h LYS 61 N 0.09 0.00 0.17 1.90 1.57 0.16 -2.50 116.57 117.97 1yg5 h LYS 61 Ca 0.16 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.64 1yg5 h LYS 61 Cb 0.22 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.55 1yg5 h LYS 61 CO -0.28 0.10 -1.36 0.28 -0.57 0.00 0.00 179.45 177.63 1yg5 h VAL 62 N 0.00 1.38 -0.07 0.50 2.07 0.25 -2.39 116.25 118.00 1yg5 h VAL 62 Ca -0.00 -2.91 -0.13 0.00 0.82 0.00 0.00 66.70 64.48 1yg5 h VAL 62 Cb 0.25 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 1yg5 h VAL 62 CO 0.01 0.86 -0.56 0.00 0.02 0.00 0.00 177.57 177.90 1yg5 h ALA 63 N 0.42 0.93 -0.24 1.67 0.00 -0.56 -0.56 119.26 120.92 1yg5 h ALA 63 Ca -0.19 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.11 1yg5 h ALA 63 Cb 2.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 1yg5 h ALA 63 CO 0.23 0.70 -0.20 -0.44 0.00 0.00 0.00 179.25 179.54 1yg5 h ASP 64 N 0.15 0.59 -0.43 0.00 3.32 -1.46 0.17 116.42 118.77 1yg5 h ASP 64 Ca -0.00 -0.46 0.07 0.00 0.02 0.00 0.00 57.03 56.66 1yg5 h ASP 64 Cb 1.04 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.37 1yg5 h ASP 64 CO 0.09 0.92 0.08 0.00 -1.72 0.00 0.00 179.24 178.61 1yg5 h ALA 65 N 0.69 0.47 -0.66 3.45 0.00 -1.19 0.33 119.26 122.34 1yg5 h ALA 65 Ca 0.04 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1yg5 h ALA 65 Cb 0.74 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1yg5 h ALA 65 CO 0.05 -0.32 0.44 -0.07 0.00 0.00 0.00 179.25 179.35 1yg5 h LEU 66 N 0.22 0.62 -0.54 0.00 3.38 -0.39 -0.20 115.31 118.39 1yg5 h LEU 66 Ca 0.21 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 1yg5 h LEU 66 Cb 0.26 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1yg5 h LEU 66 CO -0.27 0.41 0.05 0.74 0.09 0.00 0.00 178.44 179.46 1yg5 h THR 67 N 0.71 1.26 -0.70 0.22 2.02 0.25 0.24 112.91 116.92 1yg5 h THR 67 Ca 0.28 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.42 1yg5 h THR 67 Cb 0.20 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1yg5 h THR 67 CO -0.09 0.37 0.36 -1.13 0.37 0.00 0.00 175.52 175.40 1yg5 h ASN 68 N 0.81 0.89 -0.69 4.18 -1.24 -0.54 0.18 115.58 119.17 1yg5 h ASN 68 Ca 0.16 -0.11 0.01 0.00 0.71 0.00 0.00 56.30 57.07 1yg5 h ASN 68 Cb 0.46 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.25 1yg5 h ASN 68 CO 0.02 0.75 0.46 0.00 -1.29 0.00 0.00 177.43 177.37 1yg5 h ALA 69 N 1.18 1.52 0.18 1.57 0.00 0.52 -0.79 119.26 123.44 1yg5 h ALA 69 Ca 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1yg5 h ALA 69 Cb 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1yg5 h ALA 69 CO -0.04 0.44 -0.09 0.28 0.00 0.00 0.00 179.25 179.85 1yg5 h VAL 70 N 0.92 0.93 -1.08 0.00 2.07 0.21 -2.63 116.25 116.68 1yg5 h VAL 70 Ca 0.26 -0.82 0.31 0.00 0.82 0.00 0.00 66.70 67.27 1yg5 h VAL 70 Cb -0.09 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 1yg5 h VAL 70 CO -0.06 0.18 0.88 0.00 0.02 0.00 0.00 177.57 178.59 1yg5 h ALA 71 N 0.03 2.97 -1.19 1.67 0.00 0.02 0.76 119.26 123.53 1yg5 h ALA 71 Ca -0.02 -0.04 -0.58 0.00 0.00 0.00 0.00 54.91 54.26 1yg5 h ALA 71 Cb 0.48 0.08 -0.42 0.00 0.00 0.00 0.00 17.79 17.93 1yg5 h ALA 71 CO 0.04 -1.43 -0.66 0.72 0.00 0.00 0.00 179.25 177.92 1yg5 n HIS 72 N -3.92 3.14 -0.34 0.00 8.25 -0.37 -4.83 115.22 117.14 1yg5 n HIS 72 Ca 0.23 -2.74 0.04 0.00 -0.26 0.00 0.00 57.72 54.99 1yg5 n HIS 72 Cb 1.23 -0.26 0.11 0.00 1.12 0.00 0.00 29.99 32.19 1yg5 n HIS 72 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1yg5 n VAL 73 N -0.58 -0.42 1.98 1.59 0.31 0.26 -1.47 118.33 120.00 1yg5 n VAL 73 Ca 0.42 2.16 0.07 0.00 -0.01 0.00 0.00 64.34 66.98 1yg5 n VAL 73 Cb 0.77 -2.96 0.38 0.00 -0.91 0.00 0.00 33.84 31.12 1yg5 n VAL 73 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1yg5 n ASP 74 N -5.49 0.04 -2.69 4.52 8.00 -1.26 -3.73 116.55 115.93 1yg5 n ASP 74 Ca 0.14 -1.60 -0.06 0.00 0.71 0.00 0.00 54.79 53.98 1yg5 n ASP 74 Cb 0.45 -0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.65 1yg5 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1yg5 n ASP 75 N -0.68 -1.29 0.01 -2.24 2.03 -0.54 -4.99 116.55 108.85 1yg5 n ASP 75 Ca 0.10 -2.40 -0.10 0.00 0.52 0.00 0.00 54.79 52.90 1yg5 n ASP 75 Cb 0.05 0.71 -0.05 0.00 -0.72 0.00 0.00 41.12 41.11 1yg5 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1yg5 h MET 76 N 1.87 -0.03 -0.45 -0.67 2.86 -1.57 -0.34 114.93 116.60 1yg5 h MET 76 Ca -0.30 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.47 1yg5 h MET 76 Cb 1.29 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.93 1yg5 h MET 76 CO -0.03 -0.02 0.46 -1.35 1.06 0.00 0.00 176.91 177.03 1yg5 h PRO 77 N -0.03 0.00 0.00 -0.22 0.11 -1.93 0.27 132.00 130.20 1yg5 h PRO 77 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1yg5 h PRO 77 Cb 0.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.21 1yg5 h PRO 77 CO -0.11 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.77 1yg5 n ASN 78 N -3.78 0.00 -0.05 -2.05 3.02 -0.82 -3.43 115.26 108.15 1yg5 n ASN 78 Ca 0.08 0.17 0.03 0.00 -0.03 0.00 0.00 54.58 54.83 1yg5 n ASN 78 Cb 0.65 -0.49 0.05 0.00 -0.61 0.00 0.00 39.78 39.38 1yg5 n ASN 78 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yg5 n ALA 79 N -2.31 0.10 0.48 5.41 0.00 -0.20 0.20 120.51 124.19 1yg5 n ALA 79 Ca 0.00 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.73 1yg5 n ALA 79 Cb 0.00 -0.13 0.19 0.00 0.00 0.00 0.00 19.45 19.50 1yg5 n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1yg5 n LEU 80 N -3.86 3.38 -0.27 0.00 4.77 0.90 -4.71 117.00 117.20 1yg5 n LEU 80 Ca 0.04 -1.38 0.09 0.00 -0.03 0.00 0.00 56.01 54.73 1yg5 n LEU 80 Cb 0.14 -0.19 0.23 0.00 -2.33 0.00 0.00 43.42 41.27 1yg5 n LEU 80 CO -0.01 0.69 0.96 -1.28 -1.33 0.00 0.00 177.39 176.42 1yg5 h SER 81 N 4.58 0.07 0.79 -1.43 0.87 0.22 0.80 113.55 119.45 1yg5 h SER 81 Ca 0.00 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1yg5 h SER 81 Cb 1.00 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1yg5 h SER 81 CO 0.00 -0.05 0.00 0.00 -0.53 0.00 0.00 176.83 176.25 1yg5 h ALA 82 N 1.67 1.00 0.00 6.23 0.00 -1.84 -1.55 119.26 124.76 1yg5 h ALA 82 Ca 0.47 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.24 1yg5 h ALA 82 Cb 0.86 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1yg5 h ALA 82 CO -0.55 0.00 -1.04 -0.07 0.00 0.00 0.00 179.25 177.60 1yg5 h LEU 83 N 0.00 0.00 -0.03 0.00 3.38 -1.23 -3.21 115.31 114.22 1yg5 h LEU 83 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yg5 h LEU 83 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1yg5 h LEU 83 CO 0.00 0.54 0.02 -1.28 0.09 0.00 0.00 178.44 177.81 1yg5 h SER 84 N 0.00 0.03 -0.64 -0.43 0.87 -0.63 -1.85 113.55 110.91 1yg5 h SER 84 Ca -0.09 -0.06 0.01 0.00 -1.23 0.00 0.00 61.79 60.41 1yg5 h SER 84 Cb 1.49 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.41 1yg5 h SER 84 CO 0.05 0.08 0.42 0.44 -0.53 0.00 0.00 176.83 177.29 1yg5 h ASP 85 N -0.02 0.74 -0.74 6.23 3.32 -1.65 0.46 116.42 124.76 1yg5 h ASP 85 Ca 0.01 -0.02 0.13 0.00 0.02 0.00 0.00 57.03 57.16 1yg5 h ASP 85 Cb 0.05 -0.19 -0.09 0.00 0.22 0.00 0.00 39.33 39.33 1yg5 h ASP 85 CO -0.00 0.54 0.32 0.25 -1.72 0.00 0.00 179.24 178.63 1yg5 h LEU 86 N 0.87 0.34 0.04 1.55 7.12 -1.49 0.73 115.31 124.46 1yg5 h LEU 86 Ca 0.23 0.09 -0.36 0.00 0.13 0.00 0.00 57.88 57.98 1yg5 h LEU 86 Cb -0.09 0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 40.04 1yg5 h LEU 86 CO -0.05 0.15 -2.20 1.41 -0.13 0.00 0.00 178.44 177.63 1yg5 n HIS 87 N -4.96 0.53 0.08 1.25 8.25 -0.72 -1.26 115.22 118.39 1yg5 n HIS 87 Ca 0.13 0.14 -0.12 0.00 -0.26 0.00 0.00 57.72 57.61 1yg5 n HIS 87 Cb 0.37 -1.08 -0.08 0.00 1.12 0.00 0.00 29.99 30.32 1yg5 n HIS 87 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yg5 h ALA 88 N 0.39 -0.23 0.11 -1.41 0.00 0.09 -0.90 119.26 117.31 1yg5 h ALA 88 Ca -0.48 -0.21 -0.27 0.00 0.00 0.00 0.00 54.91 53.95 1yg5 h ALA 88 Cb 2.03 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.91 1yg5 h ALA 88 CO 0.01 -0.40 -1.38 0.45 0.00 0.00 0.00 179.25 177.94 1yg5 h HIS 89 N -0.70 0.43 0.01 0.00 3.86 0.33 -3.23 115.15 115.85 1yg5 h HIS 89 Ca -0.02 -0.32 -0.41 0.00 -1.16 0.00 0.00 60.37 58.45 1yg5 h HIS 89 Cb 0.50 -0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.89 1yg5 h HIS 89 CO 0.06 1.54 -2.32 1.17 0.86 0.00 0.00 177.93 179.24 1yg5 n LYS 90 N -3.94 0.60 -0.07 2.45 4.81 -1.03 -4.49 118.16 116.49 1yg5 n LYS 90 Ca -0.25 0.29 -0.14 0.00 -0.87 0.00 0.00 58.31 57.34 1yg5 n LYS 90 Cb 0.89 -1.55 -0.05 0.00 0.02 0.00 0.00 35.03 34.34 1yg5 n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1yg5 h LEU 91 N -0.77 0.72 -2.44 3.14 3.38 -1.36 -3.49 115.31 114.49 1yg5 h LEU 91 Ca -0.62 -0.52 -0.23 0.00 0.09 0.00 0.00 57.88 56.60 1yg5 h LEU 91 Cb 1.64 -0.21 0.18 0.00 0.09 0.00 0.00 40.66 42.36 1yg5 h LEU 91 CO -0.31 1.11 -0.78 0.54 0.09 0.00 0.00 178.44 179.08 1yg5 n ARG 92 N -4.24 -2.32 -3.10 1.13 1.74 -0.37 -5.00 116.66 104.50 1yg5 n ARG 92 Ca -0.05 0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 57.41 1yg5 n ARG 92 Cb 0.52 -5.48 -0.06 0.00 -1.02 0.00 0.00 32.46 26.41 1yg5 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1yg5 s VAL 93 N -3.36 4.88 0.20 1.55 1.01 -1.02 -5.04 120.40 118.64 1yg5 s VAL 93 Ca 0.39 0.63 -0.31 0.00 0.00 0.00 0.00 61.98 62.70 1yg5 s VAL 93 Cb -0.05 -4.08 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1yg5 s VAL 93 CO 0.68 -0.31 1.55 -0.62 0.00 0.00 0.00 175.10 176.40 1yg5 s ASP 94 N 1.78 6.56 0.15 3.32 -1.08 -1.26 -4.91 116.67 121.24 1yg5 s ASP 94 Ca 0.25 2.69 -0.26 0.00 -0.52 0.00 0.00 52.55 54.70 1yg5 s ASP 94 Cb -0.14 -2.61 -0.02 0.00 -1.46 0.00 0.00 42.92 38.69 1yg5 s ASP 94 CO 0.15 -0.81 1.39 -2.65 0.52 0.00 0.00 175.17 173.76 1yg5 n PRO 95 N 3.34 -0.37 -0.27 4.34 -0.02 -1.26 -1.90 135.00 138.85 1yg5 n PRO 95 Ca 0.11 1.36 0.26 0.00 -2.02 0.00 0.00 63.50 63.22 1yg5 n PRO 95 Cb 0.39 -2.01 0.49 0.00 -0.02 0.00 0.00 33.50 32.34 1yg5 n PRO 95 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1yg5 n VAL 96 N -5.16 -0.36 -0.14 -1.45 0.24 -1.26 0.24 118.33 110.45 1yg5 n VAL 96 Ca 0.03 1.73 0.12 0.00 -2.04 0.00 0.00 64.34 64.18 1yg5 n VAL 96 Cb 0.25 -2.80 0.46 0.00 -1.47 0.00 0.00 33.84 30.28 1yg5 n VAL 96 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 1yg5 h ASN 97 N 0.00 0.46 -0.97 -1.34 4.21 -1.74 0.18 115.58 116.38 1yg5 h ASN 97 Ca 0.71 0.01 0.09 0.00 1.21 0.00 0.00 56.30 58.32 1yg5 h ASN 97 Cb 1.86 -0.08 -0.07 0.00 -1.12 0.00 0.00 38.32 38.91 1yg5 h ASN 97 CO -0.66 0.27 0.62 -0.26 -1.29 0.00 0.00 177.43 176.11 1yg5 h PHE 98 N 0.51 1.12 -0.57 1.19 -1.00 0.30 -1.73 116.94 116.76 1yg5 h PHE 98 Ca 0.32 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 61.10 1yg5 h PHE 98 Cb 0.57 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 39.75 1yg5 h PHE 98 CO -0.00 0.52 0.20 0.87 -1.61 0.00 0.00 178.31 178.30 1yg5 h LYS 99 N 1.04 0.86 -0.37 1.51 1.57 -0.72 -0.23 116.57 120.24 1yg5 h LYS 99 Ca 0.44 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 1yg5 h LYS 99 Cb 0.32 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1yg5 h LYS 99 CO -0.20 0.76 0.08 -0.07 -0.57 0.00 0.00 179.45 179.45 1yg5 h LEU 100 N 0.78 0.58 -0.13 2.94 3.38 -1.09 0.23 115.31 121.99 1yg5 h LEU 100 Ca 0.19 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1yg5 h LEU 100 Cb 0.24 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1yg5 h LEU 100 CO -0.01 0.67 0.03 0.25 0.09 0.00 0.00 178.44 179.46 1yg5 h LEU 101 N 0.46 0.21 -0.91 1.67 5.85 -1.28 -0.98 115.31 120.32 1yg5 h LEU 101 Ca 0.12 -0.24 0.09 0.00 0.84 0.00 0.00 57.88 58.69 1yg5 h LEU 101 Cb 0.32 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 1yg5 h LEU 101 CO 0.00 0.40 0.56 0.28 -0.34 0.00 0.00 178.44 179.34 1yg5 h SER 102 N 0.01 0.84 -0.91 1.25 0.02 -0.46 -0.17 113.55 114.12 1yg5 h SER 102 Ca 0.04 0.04 0.09 0.00 -0.84 0.00 0.00 61.79 61.11 1yg5 h SER 102 Cb 0.27 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.61 1yg5 h SER 102 CO 0.00 0.49 0.56 -0.74 -1.14 0.00 0.00 176.83 176.00 1yg5 h HIS 103 N 0.94 1.03 -0.34 3.45 -0.00 0.17 0.72 115.15 121.13 1yg5 h HIS 103 Ca 0.43 0.03 -0.16 0.00 -0.00 0.00 0.00 60.37 60.67 1yg5 h HIS 103 Cb 0.34 -0.33 -0.00 0.00 -0.00 0.00 0.00 27.41 27.42 1yg5 h HIS 103 CO -0.03 0.47 -0.42 0.00 -0.00 0.00 0.00 177.93 177.95 1yg5 h LEU 105 N 0.68 1.09 0.75 0.00 3.38 -0.27 0.95 115.31 121.90 1yg5 h LEU 105 Ca 0.04 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1yg5 h LEU 105 Cb 1.01 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.52 1yg5 h LEU 105 CO 0.10 0.75 -0.36 -0.07 0.09 0.00 0.00 178.44 178.95 1yg5 h LEU 106 N 1.27 -0.86 -0.55 1.67 3.38 -0.72 -1.18 115.31 118.32 1yg5 h LEU 106 Ca 0.39 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.48 1yg5 h LEU 106 Cb -0.02 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 40.85 1yg5 h LEU 106 CO -0.12 -0.58 -0.33 0.58 0.09 0.00 0.00 178.44 178.09 1yg5 h VAL 107 N -1.07 0.19 -0.72 1.22 2.07 -0.43 0.42 116.25 117.92 1yg5 h VAL 107 Ca -0.10 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.50 1yg5 h VAL 107 Cb 0.79 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.68 1yg5 h VAL 107 CO 0.17 0.00 0.39 0.74 0.02 0.00 0.00 177.57 178.89 1yg5 h THR 108 N -0.18 0.91 -0.03 2.57 2.02 0.11 -1.13 112.91 117.18 1yg5 h THR 108 Ca 0.22 -0.23 -0.22 0.00 0.77 0.00 0.00 66.41 66.94 1yg5 h THR 108 Cb 0.54 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1yg5 h THR 108 CO -0.65 0.12 -0.91 -0.07 0.37 0.00 0.00 175.52 174.39 1yg5 h LEU 109 N 0.68 0.63 -1.39 2.58 3.38 0.15 -2.59 115.31 118.75 1yg5 h LEU 109 Ca 0.34 -0.48 0.23 0.00 0.09 0.00 0.00 57.88 58.07 1yg5 h LEU 109 Cb 0.30 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 1yg5 h LEU 109 CO -0.23 1.27 0.64 0.00 0.09 0.00 0.00 178.44 180.20 1yg5 h ALA 110 N 0.70 2.16 0.00 1.53 0.00 0.92 0.49 119.26 125.07 1yg5 h ALA 110 Ca -0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1yg5 h ALA 110 Cb 1.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1yg5 h ALA 110 CO 0.16 -0.51 -0.45 0.00 0.00 0.00 0.00 179.25 178.45 1yg5 n ALA 111 N -2.48 2.98 -0.01 0.00 0.00 -0.57 -4.03 120.51 116.40 1yg5 n ALA 111 Ca 0.23 -0.24 0.06 0.00 0.00 0.00 0.00 53.44 53.49 1yg5 n ALA 111 Cb 0.77 -1.22 -0.12 0.00 0.00 0.00 0.00 19.45 18.88 1yg5 n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yg5 n HIS 112 N -1.86 0.00 -2.81 0.00 -0.00 -0.06 -4.70 115.22 105.79 1yg5 n HIS 112 Ca 0.05 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.53 1yg5 n HIS 112 Cb 0.39 -0.40 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 1yg5 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1yg5 n LEU 113 N -2.10 3.77 -0.22 2.41 4.32 -0.03 -4.93 117.00 120.22 1yg5 n LEU 113 Ca -0.05 -5.28 -0.00 0.00 -0.02 0.00 0.00 56.01 50.66 1yg5 n LEU 113 Cb 0.47 -0.26 0.03 0.00 -1.62 0.00 0.00 43.42 42.03 1yg5 n LEU 113 CO 0.33 2.24 0.34 -2.65 -1.22 0.00 0.00 177.39 176.43 1yg5 n PRO 114 N -0.23 -0.13 0.00 3.23 -0.02 -1.26 0.03 135.00 136.62 1yg5 n PRO 114 Ca 0.31 0.88 0.12 0.00 -2.02 0.00 0.00 63.50 62.79 1yg5 n PRO 114 Cb 0.55 -1.31 0.20 0.00 -0.02 0.00 0.00 33.50 32.92 1yg5 n PRO 114 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yg5 n ALA 115 N -3.70 2.85 -0.03 3.55 0.00 -1.26 -3.85 120.51 118.07 1yg5 n ALA 115 Ca 0.06 -0.59 -0.07 0.00 0.00 0.00 0.00 53.44 52.84 1yg5 n ALA 115 Cb 0.23 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.62 1yg5 n ALA 115 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yg5 n GLU 116 N 0.48 0.64 -0.97 0.00 -0.58 0.10 -4.58 120.64 115.75 1yg5 n GLU 116 Ca 0.14 0.22 -0.11 0.00 -0.42 0.00 0.00 57.16 56.99 1yg5 n GLU 116 Cb 0.48 -1.74 -0.15 0.00 -0.57 0.00 0.00 31.44 29.46 1yg5 n GLU 116 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1yg5 n PHE 117 N -2.96 0.06 -1.41 -0.32 7.35 -0.84 -4.76 117.46 114.59 1yg5 n PHE 117 Ca -0.19 -1.47 -0.30 0.00 -0.76 0.00 0.00 57.45 54.74 1yg5 n PHE 117 Cb 1.04 -1.48 0.11 0.00 0.35 0.00 0.00 39.48 39.50 1yg5 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yg5 s THR 118 N 0.77 2.80 0.13 -2.13 -4.23 -1.26 -4.65 115.64 107.07 1yg5 s THR 118 Ca 0.60 0.26 -0.31 0.00 -1.18 0.00 0.00 61.69 61.05 1yg5 s THR 118 Cb 0.29 -2.90 -0.08 0.00 1.34 0.00 0.00 72.50 71.15 1yg5 s THR 118 CO -0.01 -0.34 1.56 -0.65 -0.54 0.00 0.00 174.62 174.64 1yg5 h PRO 119 N -1.32 -0.46 -0.74 3.99 0.11 -1.98 -0.41 132.00 131.18 1yg5 h PRO 119 Ca -0.48 0.03 0.18 0.00 0.11 0.00 0.00 66.00 65.84 1yg5 h PRO 119 Cb 1.28 0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.45 1yg5 h PRO 119 CO 0.58 -0.31 0.51 0.00 -0.21 0.00 0.00 178.00 178.57 1yg5 h ALA 120 N -0.01 2.41 0.03 -0.75 0.00 -1.97 0.30 119.26 119.27 1yg5 h ALA 120 Ca 0.07 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.70 1yg5 h ALA 120 Cb 0.64 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.45 1yg5 h ALA 120 CO -0.49 -0.62 -1.08 0.28 0.00 0.00 0.00 179.25 177.34 1yg5 h VAL 121 N 0.20 1.28 -0.81 0.00 2.07 -1.42 -2.42 116.25 115.15 1yg5 h VAL 121 Ca 0.37 -2.29 0.04 0.00 0.82 0.00 0.00 66.70 65.64 1yg5 h VAL 121 Cb 1.15 2.46 -0.05 0.00 -1.52 0.00 0.00 31.29 33.33 1yg5 h VAL 121 CO -0.07 0.70 0.53 -0.74 0.02 0.00 0.00 177.57 178.02 1yg5 h HIS 122 N 0.36 0.96 0.00 1.57 6.17 0.19 0.19 115.15 124.58 1yg5 h HIS 122 Ca -0.14 0.02 -0.10 0.00 0.71 0.00 0.00 60.37 60.86 1yg5 h HIS 122 Cb 1.74 -0.32 -0.01 0.00 2.52 0.00 0.00 27.41 31.33 1yg5 h HIS 122 CO 0.11 0.55 -0.46 0.00 0.71 0.00 0.00 177.93 178.84 1yg5 h ALA 123 N 1.53 1.02 0.00 5.26 0.00 -0.38 -2.52 119.26 124.17 1yg5 h ALA 123 Ca 0.33 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1yg5 h ALA 123 Cb 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1yg5 h ALA 123 CO -0.10 0.57 -0.77 0.77 0.00 0.00 0.00 179.25 179.73 1yg5 h SER 124 N 0.00 0.00 0.88 0.00 0.02 -0.23 -3.23 113.55 110.99 1yg5 h SER 124 Ca -0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.71 1yg5 h SER 124 Cb 0.94 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 1yg5 h SER 124 CO 0.06 0.44 -1.12 -0.07 -1.14 0.00 0.00 176.83 175.00 1yg5 h LEU 125 N 0.00 0.08 -1.04 5.07 3.38 -0.52 -0.09 115.31 122.19 1yg5 h LEU 125 Ca -0.05 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1yg5 h LEU 125 Cb 1.38 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1yg5 h LEU 125 CO 0.05 1.07 -0.38 -0.78 0.09 0.00 0.00 178.44 178.50 1yg5 h ASP 126 N 0.01 0.00 0.03 -0.43 3.58 -1.64 0.95 116.42 118.93 1yg5 h ASP 126 Ca -0.06 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.32 1yg5 h ASP 126 Cb 1.83 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.89 1yg5 h ASP 126 CO 0.14 0.38 -0.30 0.11 -2.88 0.00 0.00 179.24 176.68 1yg5 h LYS 127 N 0.00 0.15 -0.56 0.28 1.57 -1.42 -0.81 116.57 115.78 1yg5 h LYS 127 Ca -0.00 -0.20 0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1yg5 h LYS 127 Cb 0.84 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.15 1yg5 h LYS 127 CO 0.05 1.01 0.20 0.35 -0.57 0.00 0.00 179.45 180.49 1yg5 h PHE 128 N -0.61 0.35 0.24 -1.35 3.57 -0.68 -0.28 116.94 118.17 1yg5 h PHE 128 Ca -0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1yg5 h PHE 128 Cb 1.14 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.81 1yg5 h PHE 128 CO 0.21 0.10 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.20 1yg5 h LEU 129 N 0.38 -0.27 -0.93 0.59 3.38 -0.77 0.84 115.31 118.52 1yg5 h LEU 129 Ca 0.28 -0.04 0.25 0.00 0.09 0.00 0.00 57.88 58.46 1yg5 h LEU 129 Cb 0.32 0.07 -0.17 0.00 0.09 0.00 0.00 40.66 40.98 1yg5 h LEU 129 CO -0.28 -0.14 0.05 0.00 0.09 0.00 0.00 178.44 178.16 1yg5 h ALA 130 N 0.38 1.11 0.28 1.53 0.00 -0.43 0.43 119.26 122.55 1yg5 h ALA 130 Ca -0.03 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1yg5 h ALA 130 Cb 0.29 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1yg5 h ALA 130 CO 0.05 -0.53 -0.13 0.77 0.00 0.00 0.00 179.25 179.41 1yg5 h SER 131 N 0.05 -0.31 0.09 0.00 0.02 0.75 0.55 113.55 114.70 1yg5 h SER 131 Ca 0.56 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.48 1yg5 h SER 131 Cb 1.12 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1yg5 h SER 131 CO -0.84 -0.19 -0.05 0.58 -1.14 0.00 0.00 176.83 175.19 1yg5 h VAL 132 N -0.42 0.79 -0.01 2.27 2.07 -0.03 -1.48 116.25 119.44 1yg5 h VAL 132 Ca -0.04 -0.20 -0.25 0.00 0.82 0.00 0.00 66.70 67.02 1yg5 h VAL 132 Cb 0.32 1.12 0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1yg5 h VAL 132 CO 0.06 0.05 -1.01 0.28 0.02 0.00 0.00 177.57 176.98 1yg5 h SER 133 N 0.00 0.81 -0.35 0.57 0.02 0.84 -2.85 113.55 112.58 1yg5 h SER 133 Ca -0.00 -0.64 -0.07 0.00 -0.84 0.00 0.00 61.79 60.24 1yg5 h SER 133 Cb 0.11 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1yg5 h SER 133 CO 0.01 1.44 0.00 0.74 -1.14 0.00 0.00 176.83 177.88 1yg5 h THR 134 N 0.36 1.23 -0.22 -2.27 2.02 0.73 -2.94 112.91 111.81 1yg5 h THR 134 Ca -0.11 -0.94 -0.14 0.00 0.77 0.00 0.00 66.41 65.98 1yg5 h THR 134 Cb 1.65 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.94 1yg5 h THR 134 CO 0.19 0.33 -0.45 0.58 0.37 0.00 0.00 175.52 176.54 1yg5 h VAL 135 N 0.68 1.31 -0.04 3.16 2.07 -1.27 -3.03 116.25 119.12 1yg5 h VAL 135 Ca 0.14 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1yg5 h VAL 135 Cb 0.41 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1yg5 h VAL 135 CO 0.02 0.52 0.00 0.18 0.02 0.00 0.00 177.57 178.30 1yg5 n LEU 136 N -4.00 0.43 0.00 2.57 4.77 -1.08 -3.52 117.00 116.17 1yg5 n LEU 136 Ca -0.02 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1yg5 n LEU 136 Cb 0.55 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1yg5 n LEU 136 CO 0.46 0.09 0.19 1.07 -1.33 0.00 0.00 177.39 177.87 1yg5 n THR 137 N -0.51 0.11 0.66 -5.08 5.66 -1.15 -3.96 114.28 110.01 1yg5 n THR 137 Ca 0.15 -0.35 0.12 0.00 -3.05 0.00 0.00 64.05 60.92 1yg5 n THR 137 Cb 0.14 1.29 0.10 0.00 -1.55 0.00 0.00 70.33 70.30 1yg5 n THR 137 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1yg5 n SER 138 N -0.05 0.63 -1.01 1.09 3.41 -1.19 -2.93 113.62 113.56 1yg5 n SER 138 Ca 0.00 -0.15 0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1yg5 n SER 138 Cb 0.15 0.52 0.23 0.00 -0.26 0.00 0.00 64.21 64.85 1yg5 n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1yg5 n LYS 139 N -1.90 2.40 0.00 4.33 5.02 -1.26 -4.40 118.16 122.34 1yg5 n LYS 139 Ca 0.03 -1.86 0.00 0.00 -2.02 0.00 0.00 58.31 54.46 1yg5 n LYS 139 Cb 0.41 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1yg5 n LYS 139 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1yg5 n TYR 140 N 0.89 0.00 0.00 2.13 9.36 -1.15 -4.83 117.16 123.56 1yg5 n TYR 140 Ca 0.17 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.39 1yg5 n TYR 140 Cb 0.50 -0.39 0.00 0.00 -0.63 0.00 0.00 39.34 38.81 1yg5 n TYR 140 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97