#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhq s ASP 2 N 0.00 3.06 -0.04 3.42 -1.08 -1.26 -5.02 116.67 115.75 1yhq s ASP 2 Ca 0.00 -0.82 0.14 0.00 -0.52 0.00 0.00 52.55 51.35 1yhq s ASP 2 Cb 0.00 -0.85 0.44 0.00 -1.46 0.00 0.00 42.92 41.05 1yhq s ASP 2 CO 0.00 -0.24 1.37 0.18 0.52 0.00 0.00 175.17 177.00 1yhq n LEU 3 N 4.90 3.45 -0.09 -1.34 4.77 -1.26 -4.65 117.00 122.79 1yhq n LEU 3 Ca -0.11 -2.21 0.05 0.00 -0.03 0.00 0.00 56.01 53.72 1yhq n LEU 3 Cb 0.47 -0.36 0.39 0.00 -2.33 0.00 0.00 43.42 41.59 1yhq n LEU 3 CO 0.15 0.77 1.19 0.77 -1.33 0.00 0.00 177.39 178.95 1yhq h SER 4 N 2.58 0.57 -0.40 -1.43 4.64 -1.99 -0.39 113.55 117.13 1yhq h SER 4 Ca 0.00 -0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.27 1yhq h SER 4 Cb 0.97 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 1yhq h SER 4 CO 0.06 0.39 0.10 0.00 -0.87 0.00 0.00 176.83 176.51 1yhq h ALA 5 N 1.67 0.52 -0.70 5.18 0.00 -2.01 -2.45 119.26 121.48 1yhq h ALA 5 Ca 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1yhq h ALA 5 Cb 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1yhq h ALA 5 CO -0.06 0.20 0.38 1.96 0.00 0.00 0.00 179.25 181.72 1yhq h GLN 6 N 0.50 0.97 -0.84 0.00 7.50 -1.63 -1.85 115.11 119.75 1yhq h GLN 6 Ca 0.12 -0.11 0.07 0.00 0.50 0.00 0.00 58.65 59.23 1yhq h GLN 6 Cb 0.31 -0.19 -0.06 0.00 0.05 0.00 0.00 27.48 27.58 1yhq h GLN 6 CO 0.00 0.71 0.51 0.87 -1.50 0.00 0.00 178.83 179.43 1yhq h LYS 7 N 0.97 0.90 -0.49 1.46 1.79 -0.66 0.46 116.57 121.00 1yhq h LYS 7 Ca 0.25 -0.05 -0.12 0.00 -2.18 0.00 0.00 60.65 58.54 1yhq h LYS 7 Cb 0.03 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.47 1yhq h LYS 7 CO -0.04 0.59 -0.17 -0.09 -1.08 0.00 0.00 179.45 178.66 1yhq h ARG 8 N 0.92 0.98 -0.19 3.15 2.43 -0.97 -0.63 114.38 120.08 1yhq h ARG 8 Ca 0.37 -0.40 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1yhq h ARG 8 Cb 0.20 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1yhq h ARG 8 CO -0.18 1.07 -0.13 -0.07 -1.51 0.00 0.00 179.97 179.15 1yhq h LEU 9 N 0.83 0.44 -1.06 3.80 3.38 -0.58 -2.62 115.31 119.50 1yhq h LEU 9 Ca 0.12 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.66 1yhq h LEU 9 Cb 0.74 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1yhq h LEU 9 CO 0.06 0.79 0.64 0.00 0.09 0.00 0.00 178.44 180.01 1yhq h ALA 10 N 0.66 1.34 -0.89 1.53 0.00 -0.07 0.11 119.26 121.94 1yhq h ALA 10 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1yhq h ALA 10 Cb 0.64 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1yhq h ALA 10 CO 0.04 0.60 0.52 0.00 0.00 0.00 0.00 179.25 180.40 1yhq h ALA 11 N 1.41 1.13 0.04 0.00 0.00 -0.99 0.10 119.26 120.95 1yhq h ALA 11 Ca 0.36 -0.11 -0.25 0.00 0.00 0.00 0.00 54.91 54.91 1yhq h ALA 11 Cb -0.09 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.35 1yhq h ALA 11 CO -0.09 0.61 -1.04 0.22 0.00 0.00 0.00 179.25 178.95 1yhq h ASP 12 N 1.23 0.63 -0.31 0.00 1.82 -1.01 0.16 116.42 118.94 1yhq h ASP 12 Ca 0.32 -0.54 -0.16 0.00 -0.39 0.00 0.00 57.03 56.26 1yhq h ASP 12 Cb -0.02 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 39.79 1yhq h ASP 12 CO -0.06 1.35 -0.41 1.62 -1.61 0.00 0.00 179.24 180.13 1yhq h VAL 13 N 0.24 1.29 0.00 2.25 3.04 -0.60 -2.59 116.25 119.88 1yhq h VAL 13 Ca -0.11 -1.60 0.00 0.00 -1.01 0.00 0.00 66.70 63.98 1yhq h VAL 13 Cb 1.70 1.56 0.00 0.00 -2.01 0.00 0.00 31.29 32.54 1yhq h VAL 13 CO 0.19 0.52 -0.11 0.18 -1.01 0.00 0.00 177.57 177.34 1yhq n LEU 14 N -4.12 0.14 -3.41 3.16 4.77 0.34 -4.95 117.00 112.94 1yhq n LEU 14 Ca -0.04 0.40 -0.14 0.00 -0.03 0.00 0.00 56.01 56.20 1yhq n LEU 14 Cb 0.55 -0.44 0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1yhq n LEU 14 CO 0.48 0.02 0.07 -0.67 -1.33 0.00 0.00 177.39 175.96 1yhq n ASP 15 N -1.54 -6.39 -3.61 -1.43 -0.08 0.04 -5.02 116.55 98.53 1yhq n ASP 15 Ca 0.07 -0.56 -0.13 0.00 -1.51 0.00 0.00 54.79 52.66 1yhq n ASP 15 Cb 0.34 -3.86 -0.05 0.00 2.34 0.00 0.00 41.12 39.89 1yhq n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1yhq s VAL 16 N -3.11 0.05 0.38 5.18 1.01 0.34 -5.02 120.40 119.23 1yhq s VAL 16 Ca 0.12 -0.38 -0.27 0.00 0.00 0.00 0.00 61.98 61.45 1yhq s VAL 16 Cb -0.04 -1.02 -0.11 0.00 0.00 0.00 0.00 36.38 35.22 1yhq s VAL 16 CO 0.81 -0.21 1.29 0.61 0.00 0.00 0.00 175.10 177.60 1yhq n GLY 17 N 0.23 0.60 0.37 4.51 0.00 -1.26 -4.53 105.19 105.12 1yhq n GLY 17 Ca -0.18 0.26 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1yhq n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yhq h LYS 18 N 2.35 0.75 0.00 1.61 1.57 -1.90 0.50 116.57 121.46 1yhq h LYS 18 Ca -0.47 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1yhq h LYS 18 Cb 1.29 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1yhq h LYS 18 CO 0.61 0.50 0.00 0.09 -0.57 0.00 0.00 179.45 180.08 1yhq n ASN 19 N -4.60 0.31 -0.60 0.86 3.02 -1.26 -1.77 115.26 111.22 1yhq n ASN 19 Ca 0.19 0.62 0.11 0.00 -0.03 0.00 0.00 54.58 55.47 1yhq n ASN 19 Cb 0.46 -0.67 0.02 0.00 -0.61 0.00 0.00 39.78 38.98 1yhq n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1yhq n ARG 20 N -1.90 1.52 -2.95 3.52 1.74 0.17 -4.93 116.66 113.83 1yhq n ARG 20 Ca 0.00 -1.23 -0.40 0.00 -0.77 0.00 0.00 57.85 55.46 1yhq n ARG 20 Cb 0.07 -1.45 -0.06 0.00 -1.02 0.00 0.00 32.46 30.00 1yhq n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1yhq s VAL 21 N -2.29 4.45 -0.13 1.55 -7.23 -0.73 0.23 120.40 116.25 1yhq s VAL 21 Ca 0.20 1.74 0.01 0.00 -1.81 0.00 0.00 61.98 62.12 1yhq s VAL 21 Cb 0.18 -4.16 -0.01 0.00 0.56 0.00 0.00 36.38 32.96 1yhq s VAL 21 CO 0.49 0.47 -0.17 0.86 -0.31 0.00 0.00 175.10 176.43 1yhq s TRP 22 N -0.79 2.73 -0.17 2.82 -0.00 0.20 -4.91 118.94 118.81 1yhq s TRP 22 Ca 0.38 -0.92 -0.04 0.00 -0.00 0.00 0.00 56.10 55.52 1yhq s TRP 22 Cb -0.23 -1.82 -0.02 0.00 -0.00 0.00 0.00 33.47 31.40 1yhq s TRP 22 CO 0.26 -0.37 -0.04 -0.06 -0.00 0.00 0.00 176.95 176.74 1yhq s PHE 23 N 0.53 3.00 0.04 5.86 0.08 -1.26 -1.26 117.98 124.97 1yhq s PHE 23 Ca -0.11 -0.46 -0.30 0.00 0.12 0.00 0.00 56.93 56.18 1yhq s PHE 23 Cb -0.16 -2.00 -0.09 0.00 -0.57 0.00 0.00 43.02 40.20 1yhq s PHE 23 CO 0.04 -0.18 1.94 1.21 -0.10 0.00 0.00 175.22 178.13 1yhq s ASN 24 N 0.69 6.45 0.55 1.36 3.84 -0.28 -4.86 114.94 122.68 1yhq s ASN 24 Ca -0.02 2.67 0.27 0.00 0.21 0.00 0.00 52.86 55.99 1yhq s ASN 24 Cb -0.14 -2.53 1.44 0.00 -0.55 0.00 0.00 41.25 39.47 1yhq s ASN 24 CO 0.02 -1.04 1.97 -0.65 -2.79 0.00 0.00 177.10 174.61 1yhq h PRO 25 N 10.29 0.00 -0.02 0.43 0.11 -1.97 -0.61 132.00 140.23 1yhq h PRO 25 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1yhq h PRO 25 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1yhq h PRO 25 CO 0.94 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.12 1yhq n GLU 26 N -4.21 1.34 -0.88 1.05 1.02 -1.26 -4.02 120.64 113.67 1yhq n GLU 26 Ca 0.10 -0.49 0.05 0.00 -0.02 0.00 0.00 57.16 56.80 1yhq n GLU 26 Cb 0.65 -1.46 0.12 0.00 -0.02 0.00 0.00 31.44 30.73 1yhq n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1yhq n ARG 27 N -0.39 0.86 -0.06 3.49 1.74 -0.24 -4.80 116.66 117.27 1yhq n ARG 27 Ca 0.20 -2.60 0.10 0.00 -0.77 0.00 0.00 57.85 54.78 1yhq n ARG 27 Cb 0.23 -0.93 0.48 0.00 -1.02 0.00 0.00 32.46 31.22 1yhq n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1yhq h GLN 28 N 0.84 0.42 -0.38 5.56 4.20 -1.70 -0.73 115.11 123.33 1yhq h GLN 28 Ca -0.09 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.52 1yhq h GLN 28 Cb 1.36 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 1yhq h GLN 28 CO 0.04 0.28 -0.06 0.78 -0.67 0.00 0.00 178.83 179.19 1yhq h GLY 29 N 0.44 0.77 0.98 3.46 0.00 -1.92 0.28 103.07 107.07 1yhq h GLY 29 Ca 0.24 -0.62 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 1yhq h GLY 29 CO -0.06 0.57 -0.29 -0.55 0.00 0.00 0.00 176.54 176.20 1yhq h ASP 30 N 0.52 0.76 -0.12 0.19 3.32 -1.72 -2.76 116.42 116.61 1yhq h ASP 30 Ca 0.10 -0.47 -0.08 0.00 0.02 0.00 0.00 57.03 56.60 1yhq h ASP 30 Cb 0.57 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1yhq h ASP 30 CO 0.03 1.08 -0.16 0.40 -1.72 0.00 0.00 179.24 178.87 1yhq h ILE 31 N 0.46 1.24 -0.53 0.35 2.04 -1.13 -2.38 117.51 117.55 1yhq h ILE 31 Ca 0.05 -1.09 0.02 0.00 1.00 0.00 0.00 64.86 64.84 1yhq h ILE 31 Cb 0.86 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1yhq h ILE 31 CO 0.07 0.35 0.35 0.00 0.00 0.00 0.00 178.15 178.93 1yhq h ALA 32 N 1.38 1.67 0.00 1.87 0.00 -0.23 -0.94 119.26 123.01 1yhq h ALA 32 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1yhq h ALA 32 Cb 0.54 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1yhq h ALA 32 CO 0.03 0.29 -0.04 -0.25 0.00 0.00 0.00 179.25 179.28 1yhq n ASP 33 N -4.46 0.45 -4.61 0.00 8.00 -0.91 -4.76 116.55 110.25 1yhq n ASP 33 Ca 0.05 0.50 -0.43 0.00 0.71 0.00 0.00 54.79 55.63 1yhq n ASP 33 Cb 0.09 -0.60 -0.03 0.00 -0.02 0.00 0.00 41.12 40.56 1yhq n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yhq s ALA 34 N -3.06 3.04 -0.22 2.24 0.00 -0.36 -4.82 121.76 118.59 1yhq s ALA 34 Ca 0.12 0.45 -0.08 0.00 0.00 0.00 0.00 51.96 52.45 1yhq s ALA 34 Cb 0.15 -3.95 -0.11 0.00 0.00 0.00 0.00 23.12 19.21 1yhq s ALA 34 CO 0.58 -2.34 -0.26 -0.89 0.00 0.00 0.00 175.76 172.85 1yhq n ILE 35 N 6.99 1.22 -2.98 0.00 2.08 -1.26 -4.87 119.36 120.54 1yhq n ILE 35 Ca 0.22 -0.36 -0.21 0.00 0.56 0.00 0.00 62.75 62.96 1yhq n ILE 35 Cb 0.46 -1.64 0.02 0.00 -0.75 0.00 0.00 39.64 37.72 1yhq n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 1yhq s THR 36 N -2.41 3.60 0.28 1.39 -4.23 -1.26 -4.99 115.64 108.01 1yhq s THR 36 Ca -0.30 -0.66 -0.01 0.00 -1.18 0.00 0.00 61.69 59.53 1yhq s THR 36 Cb 0.11 -3.31 0.16 0.00 1.34 0.00 0.00 72.50 70.80 1yhq s THR 36 CO 0.42 -0.19 1.83 0.03 -0.54 0.00 0.00 174.62 176.17 1yhq h ARG 37 N 0.42 0.85 -0.66 3.99 3.08 -1.98 -2.05 114.38 118.03 1yhq h ARG 37 Ca -0.45 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 59.44 1yhq h ARG 37 Cb 1.27 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 1yhq h ARG 37 CO 0.54 0.75 0.42 1.49 -1.07 0.00 0.00 179.97 182.11 1yhq h GLU 38 N 0.83 0.87 -0.42 0.04 4.57 -1.99 0.24 114.58 118.72 1yhq h GLU 38 Ca 0.19 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.34 1yhq h GLU 38 Cb 0.26 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1yhq h GLU 38 CO -0.01 0.59 0.28 -0.44 -1.18 0.00 0.00 179.01 178.25 1yhq h ASP 39 N 0.89 0.37 -0.06 1.04 3.32 -1.77 -1.49 116.42 118.72 1yhq h ASP 39 Ca 0.24 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 1yhq h ASP 39 Cb -0.08 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1yhq h ASP 39 CO -0.05 0.26 -0.17 0.58 -1.72 0.00 0.00 179.24 178.14 1yhq h VAL 40 N 0.43 1.44 -0.57 -1.35 2.07 -0.66 -2.63 116.25 114.98 1yhq h VAL 40 Ca 0.17 -1.55 0.03 0.00 0.82 0.00 0.00 66.70 66.17 1yhq h VAL 40 Cb 0.15 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 1yhq h VAL 40 CO -0.04 0.43 0.38 0.03 0.02 0.00 0.00 177.57 178.39 1yhq h ARG 41 N -0.31 0.67 -0.39 1.57 3.08 -0.61 0.45 114.38 118.83 1yhq h ARG 41 Ca -0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1yhq h ARG 41 Cb 0.79 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1yhq h ARG 41 CO 0.04 0.44 0.17 1.49 -1.07 0.00 0.00 179.97 181.04 1yhq h GLU 42 N 0.69 0.58 0.00 0.04 4.81 -1.25 -0.62 114.58 118.82 1yhq h GLU 42 Ca 0.22 -0.10 -0.08 0.00 -0.13 0.00 0.00 59.36 59.28 1yhq h GLU 42 Cb 0.05 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1yhq h GLU 42 CO -0.06 0.53 -0.39 -0.07 -0.73 0.00 0.00 179.01 178.29 1yhq h LEU 43 N 0.49 0.00 -0.39 1.64 3.38 -0.94 -1.77 115.31 117.72 1yhq h LEU 43 Ca 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1yhq h LEU 43 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1yhq h LEU 43 CO -0.01 0.39 -0.02 0.58 0.09 0.00 0.00 178.44 179.47 1yhq h VAL 44 N 0.00 1.26 -0.09 1.22 2.07 -0.34 -0.62 116.25 119.76 1yhq h VAL 44 Ca -0.00 -1.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.41 1yhq h VAL 44 Cb 0.76 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1yhq h VAL 44 CO 0.05 0.35 -0.23 0.44 0.02 0.00 0.00 177.57 178.20 1yhq h ASP 45 N 0.53 0.15 1.18 0.57 3.32 -0.71 -0.49 116.42 120.96 1yhq h ASP 45 Ca 0.11 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1yhq h ASP 45 Cb 0.51 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1yhq h ASP 45 CO 0.02 0.39 0.00 -0.62 -1.72 0.00 0.00 179.24 177.31 1yhq n GLU 46 N -4.21 0.21 -0.74 3.56 1.02 -0.70 -4.89 120.64 114.89 1yhq n GLU 46 Ca -0.01 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1yhq n GLU 46 Cb 0.32 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1yhq n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yhq n GLY 47 N 0.89 0.71 0.17 0.62 0.00 -0.19 -4.91 105.19 102.47 1yhq n GLY 47 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1yhq n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yhq h ALA 48 N 0.00 1.08 -3.20 4.61 0.00 -1.37 -3.41 119.26 116.96 1yhq h ALA 48 Ca 0.00 -0.43 -0.66 0.00 0.00 0.00 0.00 54.91 53.82 1yhq h ALA 48 Cb 0.00 -0.08 -0.34 0.00 0.00 0.00 0.00 17.79 17.37 1yhq h ALA 48 CO 0.00 0.59 -0.86 0.42 0.00 0.00 0.00 179.25 179.40 1yhq s ILE 49 N -3.75 1.97 0.23 0.00 1.01 -1.15 -1.13 121.20 118.38 1yhq s ILE 49 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.72 1yhq s ILE 49 Cb 0.13 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1yhq s ILE 49 CO 0.72 0.53 0.13 -1.10 0.00 0.00 0.00 174.94 175.23 1yhq s GLN 50 N 0.87 1.31 -0.13 2.79 -0.21 -0.39 -4.42 119.66 119.48 1yhq s GLN 50 Ca -0.06 -1.70 0.00 0.00 0.02 0.00 0.00 55.36 53.62 1yhq s GLN 50 Cb -0.15 0.11 -0.01 0.00 1.00 0.00 0.00 33.01 33.96 1yhq s GLN 50 CO -0.03 -0.38 -0.15 0.00 -2.12 0.00 0.00 175.29 172.61 1yhq s ALA 51 N -3.99 2.53 0.75 6.09 0.00 -1.26 0.60 121.76 126.49 1yhq s ALA 51 Ca 0.39 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 51.29 1yhq s ALA 51 Cb 0.07 -1.17 0.05 0.00 0.00 0.00 0.00 23.12 22.06 1yhq s ALA 51 CO 0.14 0.16 1.09 0.21 0.00 0.00 0.00 175.76 177.36 1yhq s LYS 52 N 0.50 2.38 0.32 0.00 2.47 0.14 -4.96 119.74 120.59 1yhq s LYS 52 Ca -0.10 1.17 -0.16 0.00 -1.56 0.00 0.00 55.97 55.32 1yhq s LYS 52 Cb -0.16 -1.91 -0.09 0.00 -1.46 0.00 0.00 37.83 34.21 1yhq s LYS 52 CO 0.04 -1.55 0.75 -0.51 0.16 0.00 0.00 175.35 174.24 1yhq s ASP 53 N -3.36 6.80 0.18 1.43 1.01 -1.26 -4.95 116.67 116.53 1yhq s ASP 53 Ca 0.61 1.32 -0.14 0.00 0.71 0.00 0.00 52.55 55.05 1yhq s ASP 53 Cb -0.17 -2.39 -0.07 0.00 1.01 0.00 0.00 42.92 41.30 1yhq s ASP 53 CO 0.55 -0.20 0.58 -1.59 0.21 0.00 0.00 175.17 174.72 1yhq s LYS 54 N -2.93 3.98 0.56 8.23 -2.85 -1.26 -5.07 119.74 120.40 1yhq s LYS 54 Ca 0.54 0.51 -0.00 0.00 -1.00 0.00 0.00 55.97 56.02 1yhq s LYS 54 Cb -0.11 -2.83 0.03 0.00 -2.06 0.00 0.00 37.83 32.86 1yhq s LYS 54 CO 0.17 0.41 0.80 -1.59 0.10 0.00 0.00 175.35 175.25 1yhq s LYS 55 N -2.20 2.56 -0.02 1.78 -2.85 -1.26 -5.11 119.74 112.64 1yhq s LYS 55 Ca 0.41 -0.65 -0.02 0.00 -1.00 0.00 0.00 55.97 54.71 1yhq s LYS 55 Cb -0.14 -2.44 0.00 0.00 -2.06 0.00 0.00 37.83 33.19 1yhq s LYS 55 CO 0.20 -0.75 0.06 0.20 0.10 0.00 0.00 175.35 175.16 1yhq s GLY 56 N -4.41 -0.01 0.24 0.59 0.00 -1.26 -5.13 107.32 97.34 1yhq s GLY 56 Ca 0.57 0.08 -0.30 0.00 0.00 0.00 0.00 44.72 45.06 1yhq s GLY 56 CO 0.39 0.04 1.37 -1.31 0.00 0.00 0.00 173.10 173.60 1yhq s ASN 57 N -0.21 6.76 0.33 1.64 -0.87 -1.26 -4.96 114.94 116.37 1yhq s ASN 57 Ca -0.03 2.56 -0.28 0.00 -1.57 0.00 0.00 52.86 53.54 1yhq s ASN 57 Cb -0.02 -2.62 -0.10 0.00 -0.02 0.00 0.00 41.25 38.49 1yhq s ASN 57 CO 0.00 -0.61 1.25 -0.44 -2.57 0.00 0.00 177.10 174.73 1yhq s SER 58 N 0.26 6.85 -0.03 -1.22 0.01 -1.26 -4.92 113.70 113.38 1yhq s SER 58 Ca 0.57 2.56 0.10 0.00 1.31 0.00 0.00 55.95 60.49 1yhq s SER 58 Cb -0.39 -2.64 0.28 0.00 0.21 0.00 0.00 66.02 63.47 1yhq s SER 58 CO 0.42 -0.47 1.22 0.54 0.41 0.00 0.00 173.24 175.37 1yhq n ARG 59 N 0.80 2.83 0.40 12.44 1.74 -1.26 -4.72 116.66 128.89 1yhq n ARG 59 Ca 0.00 -2.09 -0.19 0.00 -0.77 0.00 0.00 57.85 54.80 1yhq n ARG 59 Cb 0.43 -1.32 -0.10 0.00 -1.02 0.00 0.00 32.46 30.45 1yhq n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1yhq h GLY 60 N 1.47 -1.33 1.01 -0.13 0.00 -1.99 0.23 103.07 102.33 1yhq h GLY 60 Ca 0.00 0.56 0.10 0.00 0.00 0.00 0.00 47.33 47.99 1yhq h GLY 60 CO 0.04 -0.43 0.42 3.21 0.00 0.00 0.00 176.54 179.77 1yhq h ARG 61 N -1.16 0.43 -0.19 4.80 3.08 -2.01 -0.87 114.38 118.46 1yhq h ARG 61 Ca -0.10 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1yhq h ARG 61 Cb 0.95 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.89 1yhq h ARG 61 CO 0.06 0.29 -0.05 0.00 -1.07 0.00 0.00 179.97 179.20 1yhq h ALA 62 N 1.68 0.27 -0.64 0.04 0.00 -1.76 -2.64 119.26 116.22 1yhq h ALA 62 Ca 0.29 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1yhq h ALA 62 Cb 0.54 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1yhq h ALA 62 CO -0.08 0.04 0.36 0.00 0.00 0.00 0.00 179.25 179.56 1yhq h ARG 63 N 0.09 0.65 -0.45 0.00 3.08 0.79 0.19 114.38 118.73 1yhq h ARG 63 Ca 0.05 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1yhq h ARG 63 Cb 0.49 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1yhq h ARG 63 CO 0.02 0.43 0.25 0.93 -1.07 0.00 0.00 179.97 180.53 1yhq h GLU 64 N 0.67 0.62 -0.79 0.04 5.08 -1.28 -1.26 114.58 117.66 1yhq h GLU 64 Ca 0.28 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1yhq h GLU 64 Cb 0.15 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1yhq h GLU 64 CO -0.17 0.49 0.49 -0.09 -1.00 0.00 0.00 179.01 178.73 1yhq h ARG 65 N 0.59 1.05 -1.00 2.33 2.43 -1.01 -1.88 114.38 116.89 1yhq h ARG 65 Ca 0.16 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1yhq h ARG 65 Cb 0.04 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.31 1yhq h ARG 65 CO -0.03 0.72 0.65 1.96 -1.51 0.00 0.00 179.97 181.77 1yhq h GLN 66 N 1.07 1.24 -0.33 0.20 4.20 -0.17 -1.71 115.11 119.60 1yhq h GLN 66 Ca 0.28 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 1yhq h GLN 66 Cb -0.08 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.41 1yhq h GLN 66 CO -0.06 0.82 -0.02 0.87 -0.67 0.00 0.00 178.83 179.77 1yhq h LYS 67 N 1.27 0.60 -0.80 1.46 1.57 -0.49 -0.16 116.57 120.02 1yhq h LYS 67 Ca 0.39 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1yhq h LYS 67 Cb -0.02 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.20 1yhq h LYS 67 CO -0.12 0.73 0.52 0.87 -0.57 0.00 0.00 179.45 180.88 1yhq h LYS 68 N 0.39 0.99 -0.00 3.15 1.79 -0.97 -1.53 116.57 120.39 1yhq h LYS 68 Ca 0.09 -0.06 -0.16 0.00 -2.18 0.00 0.00 60.65 58.34 1yhq h LYS 68 Cb 0.48 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 1yhq h LYS 68 CO 0.02 0.66 -0.76 0.00 -1.08 0.00 0.00 179.45 178.28 1yhq h ARG 69 N 1.02 0.06 0.00 3.15 3.08 -1.20 0.27 114.38 120.76 1yhq h ARG 69 Ca 0.31 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.22 1yhq h ARG 69 Cb -0.03 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1yhq h ARG 69 CO -0.10 0.79 -0.42 0.00 -1.07 0.00 0.00 179.97 179.17 1yhq h ALA 70 N 1.19 1.18 -0.00 0.04 0.00 -0.69 -1.32 119.26 119.65 1yhq h ALA 70 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1yhq h ALA 70 Cb 1.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1yhq h ALA 70 CO 0.10 0.52 -0.08 0.98 0.00 0.00 0.00 179.25 180.78 1yhq n TYR 71 N -3.85 0.00 -0.16 0.00 9.36 -0.61 -4.92 117.16 116.99 1yhq n TYR 71 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1yhq n TYR 71 Cb 0.47 -0.16 0.00 0.00 -0.63 0.00 0.00 39.34 39.02 1yhq n TYR 71 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1yhq n GLY 72 N 1.24 0.69 3.99 2.98 0.00 -0.50 -5.07 105.19 108.53 1yhq n GLY 72 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 1yhq n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1yhq s HIS 73 N -2.21 2.60 -1.57 1.61 3.76 0.92 -4.56 115.29 115.84 1yhq s HIS 73 Ca 0.00 -0.23 -0.04 0.00 -0.15 0.00 0.00 55.06 54.64 1yhq s HIS 73 Cb 0.00 -2.60 0.01 0.00 1.11 0.00 0.00 32.58 31.09 1yhq s HIS 73 CO 0.00 -0.82 0.49 1.04 -0.85 0.00 0.00 174.74 174.60 1yhq n GLN 74 N -2.21 -4.26 -1.31 1.40 6.02 -1.26 -3.66 117.38 112.09 1yhq n GLN 74 Ca 0.09 0.90 0.04 0.00 -0.01 0.00 0.00 57.00 58.02 1yhq n GLN 74 Cb 0.60 -5.72 0.06 0.00 1.02 0.00 0.00 30.24 26.19 1yhq n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1yhq n LYS 75 N -3.84 0.31 -1.21 -1.09 5.02 -1.26 -4.88 118.16 111.21 1yhq n LYS 75 Ca -0.13 -2.24 -0.29 0.00 -2.02 0.00 0.00 58.31 53.64 1yhq n LYS 75 Cb 0.63 -0.32 0.18 0.00 -0.02 0.00 0.00 35.03 35.49 1yhq n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1yhq s GLY 76 N -2.22 1.57 0.51 0.72 0.00 -1.26 -4.79 107.32 101.83 1yhq s GLY 76 Ca 0.34 -0.47 0.30 0.00 0.00 0.00 0.00 44.72 44.89 1yhq s GLY 76 CO -0.15 0.17 1.84 0.00 0.00 0.00 0.00 173.10 174.96 1yhq h ALA 77 N -1.94 2.79 0.00 3.20 0.00 -1.98 0.16 119.26 121.49 1yhq h ALA 77 Ca -0.53 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1yhq h ALA 77 Cb 1.33 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1yhq h ALA 77 CO 0.56 -1.10 0.00 0.41 0.00 0.00 0.00 179.25 179.12 1yhq n GLY 78 N -1.68 -1.24 0.14 0.00 0.00 -1.26 -3.26 105.19 97.89 1yhq n GLY 78 Ca 0.22 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1yhq n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yhq n SER 79 N -1.32 1.06 -4.80 1.61 7.64 0.57 -4.98 113.62 113.40 1yhq n SER 79 Ca 0.12 -1.03 -0.39 0.00 1.01 0.00 0.00 58.87 58.59 1yhq n SER 79 Cb 0.24 0.80 -0.06 0.00 -1.01 0.00 0.00 64.21 64.18 1yhq n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1yhq s ARG 80 N -2.23 4.31 0.00 1.43 0.52 -1.19 -4.96 118.95 116.83 1yhq s ARG 80 Ca 0.09 0.85 0.00 0.00 -0.52 0.00 0.00 55.73 56.15 1yhq s ARG 80 Cb 0.12 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.34 1yhq s ARG 80 CO 0.54 0.60 0.00 1.17 0.02 0.00 0.00 175.30 177.63 1yhq n LYS 81 N 1.78 2.54 -3.22 3.54 3.00 -1.26 -5.05 118.16 119.49 1yhq n LYS 81 Ca -0.09 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 57.97 1yhq n LYS 81 Cb 0.50 -1.00 -0.01 0.00 0.00 0.00 0.00 35.03 34.52 1yhq n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1yhq s GLY 82 N -3.36 1.48 0.76 3.14 0.00 -1.26 -5.07 107.32 103.01 1yhq s GLY 82 Ca 0.00 -0.76 -0.14 0.00 0.00 0.00 0.00 44.72 43.83 1yhq s GLY 82 CO 0.00 -0.66 1.17 1.25 0.00 0.00 0.00 173.10 174.86 1yhq s LYS 83 N -4.25 2.01 0.16 2.90 2.47 -1.26 -4.75 119.74 117.03 1yhq s LYS 83 Ca 0.42 1.62 -0.16 0.00 -1.56 0.00 0.00 55.97 56.29 1yhq s LYS 83 Cb -0.10 -1.83 0.09 0.00 -1.46 0.00 0.00 37.83 34.53 1yhq s LYS 83 CO 0.37 -1.90 1.73 0.00 0.16 0.00 0.00 175.35 175.70 1yhq h ALA 84 N -0.65 0.41 0.00 3.13 0.00 -1.97 0.82 119.26 121.00 1yhq h ALA 84 Ca -0.46 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1yhq h ALA 84 Cb 1.28 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1yhq h ALA 84 CO 0.49 -0.33 0.00 0.78 0.00 0.00 0.00 179.25 180.19 1yhq h GLY 85 N 0.20 0.00 1.02 0.00 0.00 -1.92 -0.15 103.07 102.22 1yhq h GLY 85 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.21 1yhq h GLY 85 CO -0.24 0.00 -1.68 0.00 0.00 0.00 0.00 176.54 174.61 1yhq h ALA 86 N 2.03 0.62 0.00 3.60 0.00 -1.22 -3.26 119.26 121.04 1yhq h ALA 86 Ca 0.00 -1.37 -0.14 0.00 0.00 0.00 0.00 54.91 53.40 1yhq h ALA 86 Cb 0.06 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1yhq h ALA 86 CO 0.00 1.46 -0.67 0.00 0.00 0.00 0.00 179.25 180.04 1yhq h ARG 87 N 0.02 0.00 -2.62 0.00 3.08 -0.07 -3.42 114.38 111.37 1yhq h ARG 87 Ca -0.28 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.53 1yhq h ARG 87 Cb 2.00 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 31.72 1yhq h ARG 87 CO 0.10 0.67 -0.55 -1.14 -1.07 0.00 0.00 179.97 177.98 1yhq s GLN 88 N -3.46 0.19 -0.14 0.04 0.74 -0.47 -5.11 119.66 111.45 1yhq s GLN 88 Ca -0.01 0.57 -0.29 0.00 0.05 0.00 0.00 55.36 55.68 1yhq s GLN 88 Cb 0.12 -0.42 -0.04 0.00 1.10 0.00 0.00 33.01 33.77 1yhq s GLN 88 CO 0.77 -0.44 1.65 1.21 -0.55 0.00 0.00 175.29 177.94 1yhq s ASN 89 N 2.42 6.48 0.25 6.67 3.84 -1.23 -4.33 114.94 129.04 1yhq s ASN 89 Ca 0.04 1.92 -0.05 0.00 0.21 0.00 0.00 52.86 54.98 1yhq s ASN 89 Cb -0.14 -2.53 0.31 0.00 -0.55 0.00 0.00 41.25 38.34 1yhq s ASN 89 CO -0.11 -1.13 1.89 0.77 -2.79 0.00 0.00 177.10 175.73 1yhq h SER 90 N 10.33 0.99 -0.48 -4.21 4.64 -1.94 -0.46 113.55 122.43 1yhq h SER 90 Ca -0.36 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.84 1yhq h SER 90 Cb 1.17 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 1yhq h SER 90 CO 0.98 0.67 -0.16 0.50 -0.87 0.00 0.00 176.83 177.95 1yhq h LYS 91 N 1.15 0.96 -0.97 4.77 3.64 -1.97 -1.59 116.57 122.55 1yhq h LYS 91 Ca 0.38 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1yhq h LYS 91 Cb 0.04 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 1yhq h LYS 91 CO -0.13 1.05 0.61 1.49 -2.27 0.00 0.00 179.45 180.20 1yhq h GLU 92 N 0.81 1.30 -0.34 1.90 4.81 -1.82 -1.15 114.58 120.08 1yhq h GLU 92 Ca 0.12 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 1yhq h GLU 92 Cb 0.72 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1yhq h GLU 92 CO 0.06 0.88 -0.03 0.22 -0.73 0.00 0.00 179.01 179.41 1yhq h ASP 93 N 1.32 0.61 -0.39 1.04 3.58 -0.86 -2.19 116.42 119.53 1yhq h ASP 93 Ca 0.35 -0.33 -0.02 0.00 0.42 0.00 0.00 57.03 57.46 1yhq h ASP 93 Cb -0.10 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.76 1yhq h ASP 93 CO -0.07 0.79 0.19 -0.25 -2.88 0.00 0.00 179.24 177.03 1yhq h TRP 94 N 0.42 0.59 -0.56 0.28 2.91 -0.87 -0.32 115.95 118.38 1yhq h TRP 94 Ca 0.09 -0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.01 1yhq h TRP 94 Cb 0.50 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.94 1yhq h TRP 94 CO 0.04 0.44 -0.01 0.93 -1.03 0.00 0.00 178.44 178.82 1yhq h GLU 95 N 0.60 1.00 0.51 2.65 5.08 -0.94 0.14 114.58 123.62 1yhq h GLU 95 Ca 0.15 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1yhq h GLU 95 Cb 0.08 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1yhq h GLU 95 CO -0.02 1.00 -0.24 1.03 -1.00 0.00 0.00 179.01 179.78 1yhq h SER 96 N 0.89 -0.57 0.37 1.42 0.87 -0.70 -1.83 113.55 113.99 1yhq h SER 96 Ca 0.16 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1yhq h SER 96 Cb 0.56 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1yhq h SER 96 CO 0.03 -0.36 -0.19 0.03 -0.53 0.00 0.00 176.83 175.81 1yhq h ARG 97 N -0.75 -0.50 -0.57 2.24 3.08 -0.99 -1.69 114.38 115.20 1yhq h ARG 97 Ca -0.07 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1yhq h ARG 97 Cb 0.55 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1yhq h ARG 97 CO 0.11 -0.33 0.33 0.97 -1.07 0.00 0.00 179.97 179.98 1yhq h ILE 98 N -0.52 1.17 -0.43 2.04 -0.00 -0.77 -0.89 117.51 118.11 1yhq h ILE 98 Ca -0.05 -0.41 -0.09 0.00 -0.00 0.00 0.00 64.86 64.32 1yhq h ILE 98 Cb 0.41 0.38 -0.01 0.00 -0.00 0.00 0.00 36.82 37.60 1yhq h ILE 98 CO 0.07 0.18 -0.07 0.03 -0.00 0.00 0.00 178.15 178.36 1yhq h ARG 99 N 0.79 0.81 -0.79 2.19 3.08 -1.20 -1.68 114.38 117.58 1yhq h ARG 99 Ca 0.21 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 1yhq h ARG 99 Cb -0.00 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1yhq h ARG 99 CO -0.04 0.91 0.49 0.00 -1.07 0.00 0.00 179.97 180.26 1yhq h ALA 100 N 0.87 1.00 -0.21 0.04 0.00 -0.50 0.22 119.26 120.67 1yhq h ALA 100 Ca 0.11 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1yhq h ALA 100 Cb 0.59 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1yhq h ALA 100 CO 0.04 0.45 -0.34 1.96 0.00 0.00 0.00 179.25 181.36 1yhq h GLN 101 N 1.07 0.45 -0.05 0.00 4.20 -1.04 -1.56 115.11 118.19 1yhq h GLN 101 Ca 0.28 -0.20 -0.20 0.00 0.06 0.00 0.00 58.65 58.59 1yhq h GLN 101 Cb -0.06 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 1yhq h GLN 101 CO -0.06 0.73 -0.82 0.00 -0.67 0.00 0.00 178.83 178.02 1yhq h ARG 102 N 0.39 0.42 -0.40 1.46 3.08 -0.84 -1.78 114.38 116.71 1yhq h ARG 102 Ca 0.04 -0.38 -0.06 0.00 0.07 0.00 0.00 59.98 59.65 1yhq h ARG 102 Cb 0.78 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1yhq h ARG 102 CO 0.06 1.03 0.01 1.15 -1.07 0.00 0.00 179.97 181.16 1yhq h THR 103 N 0.26 1.26 0.26 2.04 2.02 -0.83 -0.96 112.91 116.96 1yhq h THR 103 Ca -0.05 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1yhq h THR 103 Cb 1.42 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 1yhq h THR 103 CO 0.14 0.34 -0.23 0.50 0.37 0.00 0.00 175.52 176.64 1yhq h LYS 104 N 0.53 -0.49 -0.01 6.66 1.63 -1.23 -0.80 116.57 122.86 1yhq h LYS 104 Ca 0.11 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1yhq h LYS 104 Cb 0.46 0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1yhq h LYS 104 CO 0.02 -0.33 0.00 -0.07 -3.45 0.00 0.00 179.45 175.62 1yhq h LEU 105 N -0.51 0.02 -0.47 5.20 3.38 -1.27 -1.55 115.31 120.11 1yhq h LEU 105 Ca -0.01 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1yhq h LEU 105 Cb 0.46 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1yhq h LEU 105 CO -0.04 0.02 -0.71 -0.09 0.09 0.00 0.00 178.44 177.72 1yhq h ARG 106 N 0.02 0.32 -0.24 1.13 2.43 -0.45 -2.81 114.38 114.78 1yhq h ARG 106 Ca 0.01 -0.26 -0.17 0.00 -0.81 0.00 0.00 59.98 58.74 1yhq h ARG 106 Cb 0.01 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1yhq h ARG 106 CO -0.00 0.90 -0.52 0.93 -1.51 0.00 0.00 179.97 179.77 1yhq h GLU 107 N 0.22 0.77 0.00 0.20 5.08 -0.20 -2.78 114.58 117.88 1yhq h GLU 107 Ca -0.02 -0.52 -0.02 0.00 -1.00 0.00 0.00 59.36 57.80 1yhq h GLU 107 Cb 1.26 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.58 1yhq h GLU 107 CO 0.12 1.14 -0.10 -0.07 -1.00 0.00 0.00 179.01 179.09 1yhq h LEU 108 N 0.52 0.00 0.06 1.33 3.38 -1.38 -1.70 115.31 117.52 1yhq h LEU 108 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1yhq h LEU 108 Cb 1.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.90 1yhq h LEU 108 CO 0.12 0.10 -0.46 -0.09 0.09 0.00 0.00 178.44 178.20 1yhq h ARG 109 N 0.00 0.21 0.00 1.13 2.43 -1.34 -1.93 114.38 114.88 1yhq h ARG 109 Ca -0.00 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1yhq h ARG 109 Cb 0.24 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1yhq h ARG 109 CO 0.01 1.10 0.00 -0.44 -1.51 0.00 0.00 179.97 179.13 1yhq h ASP 110 N -0.53 0.00 0.71 -3.80 3.32 -1.34 -1.97 116.42 112.80 1yhq h ASP 110 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1yhq h ASP 110 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1yhq h ASP 110 CO 0.09 0.00 -0.53 1.21 -1.72 0.00 0.00 179.24 178.28 1yhq n GLU 111 N -2.41 0.14 0.00 3.56 2.13 -0.65 -4.96 120.64 118.45 1yhq n GLU 111 Ca 0.02 0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.88 1yhq n GLU 111 Cb 0.25 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.37 1yhq n GLU 111 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yhq n GLY 112 N 1.42 3.26 0.37 8.31 0.00 -0.74 -4.93 105.19 112.88 1yhq n GLY 112 Ca 0.04 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1yhq n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1yhq h THR 113 N 0.00 0.82 -4.12 2.61 2.02 -1.61 -3.41 112.91 109.22 1yhq h THR 113 Ca 0.00 -0.20 -0.69 0.00 0.77 0.00 0.00 66.41 66.29 1yhq h THR 113 Cb 0.00 0.18 -0.29 0.00 -1.74 0.00 0.00 68.15 66.30 1yhq h THR 113 CO 0.00 0.11 -0.85 -0.76 0.37 0.00 0.00 175.52 174.39 1yhq s LEU 114 N -9.65 2.28 0.45 2.58 1.43 -0.98 -5.02 118.68 109.78 1yhq s LEU 114 Ca -0.09 -0.41 -0.17 0.00 -1.03 0.00 0.00 54.13 52.43 1yhq s LEU 114 Cb 0.22 -1.43 -0.09 0.00 0.03 0.00 0.00 46.19 44.92 1yhq s LEU 114 CO 0.78 0.28 0.92 -0.94 0.23 0.00 0.00 176.35 177.62 1yhq s SER 115 N -0.38 6.74 0.43 2.29 1.04 -1.26 -4.57 113.70 117.99 1yhq s SER 115 Ca 0.03 1.52 0.25 0.00 0.48 0.00 0.00 55.95 58.23 1yhq s SER 115 Cb -0.12 -2.48 1.26 0.00 0.10 0.00 0.00 66.02 64.78 1yhq s SER 115 CO 0.02 -0.44 1.73 0.77 0.98 0.00 0.00 173.24 176.30 1yhq h SER 116 N 1.47 0.33 0.57 7.02 4.64 -1.97 0.29 113.55 125.89 1yhq h SER 116 Ca -0.48 0.09 -0.19 0.00 -0.47 0.00 0.00 61.79 60.74 1yhq h SER 116 Cb 1.18 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1yhq h SER 116 CO 0.62 -0.01 -0.84 0.77 -0.87 0.00 0.00 176.83 176.50 1yhq h SER 117 N 0.25 0.25 -0.18 4.97 4.64 -1.99 -0.69 113.55 120.80 1yhq h SER 117 Ca 0.67 -0.19 -0.15 0.00 -0.47 0.00 0.00 61.79 61.64 1yhq h SER 117 Cb 1.96 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.98 1yhq h SER 117 CO -0.30 0.98 -0.49 1.56 -0.87 0.00 0.00 176.83 177.71 1yhq h GLN 118 N 0.11 0.64 -0.07 4.77 4.20 -0.93 -2.35 115.11 121.48 1yhq h GLN 118 Ca -0.04 -0.45 0.03 0.00 0.06 0.00 0.00 58.65 58.25 1yhq h GLN 118 Cb 1.45 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 29.27 1yhq h GLN 118 CO 0.13 1.07 -0.17 -0.92 -0.67 0.00 0.00 178.83 178.28 1yhq h TYR 119 N 0.32 -0.43 -0.20 2.96 3.20 -0.75 -1.16 116.97 120.91 1yhq h TYR 119 Ca -0.01 0.02 0.06 0.00 3.14 0.00 0.00 58.73 61.93 1yhq h TYR 119 Cb 1.10 0.20 -0.07 0.00 1.54 0.00 0.00 36.73 39.51 1yhq h TYR 119 CO 0.09 -0.24 -0.24 -0.09 -1.64 0.00 0.00 178.16 176.05 1yhq h ARG 120 N -0.24 -0.25 -0.56 1.82 9.65 -1.07 0.39 114.38 124.12 1yhq h ARG 120 Ca 0.08 0.02 0.04 0.00 -1.10 0.00 0.00 59.98 59.02 1yhq h ARG 120 Cb 0.34 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 28.94 1yhq h ARG 120 CO -0.21 -0.17 0.30 0.22 2.80 0.00 0.00 179.97 182.91 1yhq h ASP 121 N -0.26 0.45 -0.29 -3.80 1.82 -1.11 -0.40 116.42 112.83 1yhq h ASP 121 Ca 0.12 0.02 -0.07 0.00 -0.39 0.00 0.00 57.03 56.72 1yhq h ASP 121 Cb 0.45 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.39 1yhq h ASP 121 CO -0.36 0.31 -0.09 -0.07 -1.61 0.00 0.00 179.24 177.42 1yhq h LEU 122 N 0.58 0.58 -0.38 2.28 3.38 -0.55 -2.39 115.31 118.82 1yhq h LEU 122 Ca 0.25 -0.38 0.06 0.00 0.09 0.00 0.00 57.88 57.89 1yhq h LEU 122 Cb 0.13 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1yhq h LEU 122 CO -0.15 0.83 0.09 0.22 0.09 0.00 0.00 178.44 179.52 1yhq h TYR 123 N 0.33 0.16 -0.53 1.13 3.20 0.13 0.69 116.97 122.08 1yhq h TYR 123 Ca 0.07 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1yhq h TYR 123 Cb 0.59 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 1yhq h TYR 123 CO 0.05 0.04 0.21 -0.44 -1.64 0.00 0.00 178.16 176.38 1yhq h ASP 124 N 0.23 0.69 -0.24 -2.11 3.32 -1.05 -1.02 116.42 116.24 1yhq h ASP 124 Ca 0.18 -0.08 -0.17 0.00 0.02 0.00 0.00 57.03 56.98 1yhq h ASP 124 Cb 0.20 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1yhq h ASP 124 CO -0.22 0.63 -0.47 0.11 -1.72 0.00 0.00 179.24 177.56 1yhq h LYS 125 N 0.75 0.81 -0.24 3.56 1.57 -0.77 -1.85 116.57 120.41 1yhq h LYS 125 Ca 0.18 -0.47 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1yhq h LYS 125 Cb 0.15 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1yhq h LYS 125 CO -0.02 1.10 0.13 0.00 -0.57 0.00 0.00 179.45 180.10 1yhq h ALA 126 N 0.81 0.30 0.00 3.86 0.00 -0.48 -0.46 119.26 123.30 1yhq h ALA 126 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1yhq h ALA 126 Cb 1.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1yhq h ALA 126 CO 0.10 -0.17 -0.01 0.78 0.00 0.00 0.00 179.25 179.95 1yhq h GLY 127 N 0.28 0.00 -1.03 0.00 0.00 -1.07 0.79 103.07 102.04 1yhq h GLY 127 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1yhq h GLY 127 CO -0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.14 1yhq n GLY 128 N -1.12 0.46 2.84 4.60 0.00 -0.32 -4.93 105.19 106.73 1yhq n GLY 128 Ca -0.03 -0.42 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 1yhq n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yhq n GLY 129 N 1.12 -0.14 0.09 -0.02 0.00 0.27 -4.95 105.19 101.56 1yhq n GLY 129 Ca 0.15 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 1yhq n GLY 129 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1yhq h GLU 130 N -1.56 0.00 -5.21 1.61 4.39 -1.28 -3.46 114.58 109.08 1yhq h GLU 130 Ca -0.42 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 58.63 1yhq h GLU 130 Cb 1.25 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.67 1yhq h GLU 130 CO 0.38 0.62 -0.68 -0.06 -1.16 0.00 0.00 179.01 178.10 1yhq s PHE 131 N -2.75 3.00 0.25 4.33 0.40 -1.26 -5.00 117.98 116.94 1yhq s PHE 131 Ca -0.01 -0.46 -0.04 0.00 -0.60 0.00 0.00 56.93 55.83 1yhq s PHE 131 Cb 0.09 -2.00 0.29 0.00 0.51 0.00 0.00 43.02 41.91 1yhq s PHE 131 CO 0.81 -0.18 1.77 -0.44 0.70 0.00 0.00 175.22 177.88 1yhq h ASP 132 N 7.12 0.86 -2.41 1.36 3.32 -1.90 -3.47 116.42 121.29 1yhq h ASP 132 Ca -0.33 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 56.47 1yhq h ASP 132 Cb 1.19 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 1yhq h ASP 132 CO 0.61 0.87 0.07 -1.54 -1.72 0.00 0.00 179.24 177.52 1yhq n SER 133 N -4.24 -1.09 -0.00 6.45 3.41 -1.26 -5.00 113.62 111.89 1yhq n SER 133 Ca 0.04 -1.96 -0.13 0.00 -0.26 0.00 0.00 58.87 56.57 1yhq n SER 133 Cb 0.26 1.88 -0.08 0.00 -0.26 0.00 0.00 64.21 66.01 1yhq n SER 133 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 1yhq h VAL 134 N 1.56 1.24 -0.49 -3.33 2.07 -1.91 -1.81 116.25 113.58 1yhq h VAL 134 Ca -0.17 -0.73 0.09 0.00 0.82 0.00 0.00 66.70 66.71 1yhq h VAL 134 Cb 0.68 1.70 -0.08 0.00 -1.52 0.00 0.00 31.29 32.08 1yhq h VAL 134 CO 0.23 0.19 0.05 0.00 0.02 0.00 0.00 177.57 178.05 1yhq h ALA 135 N 0.70 0.50 0.00 1.67 0.00 -1.99 0.32 119.26 120.47 1yhq h ALA 135 Ca 0.01 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1yhq h ALA 135 Cb 0.31 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1yhq h ALA 135 CO 0.00 -0.35 -0.02 0.22 0.00 0.00 0.00 179.25 179.10 1yhq h ASP 136 N 0.17 0.00 0.02 0.00 3.58 -1.92 0.01 116.42 118.29 1yhq h ASP 136 Ca 0.25 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 1yhq h ASP 136 Cb 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1yhq h ASP 136 CO -0.37 0.02 -0.01 0.25 -2.88 0.00 0.00 179.24 176.25 1yhq h LEU 137 N 0.00 -0.03 -1.03 2.28 5.85 0.39 -2.84 115.31 119.92 1yhq h LEU 137 Ca -0.00 -0.70 0.07 0.00 0.84 0.00 0.00 57.88 58.09 1yhq h LEU 137 Cb 0.04 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 1yhq h LEU 137 CO 0.00 0.72 0.64 -0.33 -0.34 0.00 0.00 178.44 179.13 1yhq h GLU 138 N -0.82 1.12 -0.50 1.25 5.08 -0.33 0.34 114.58 120.72 1yhq h GLU 138 Ca -0.00 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1yhq h GLU 138 Cb 0.72 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1yhq h GLU 138 CO 0.01 0.74 0.33 0.00 -1.00 0.00 0.00 179.01 179.08 1yhq h ARG 139 N 1.15 0.65 -0.46 2.33 3.08 -1.06 -1.76 114.38 118.31 1yhq h ARG 139 Ca 0.43 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.36 1yhq h ARG 139 Cb 0.18 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1yhq h ARG 139 CO -0.17 0.43 -0.02 -0.92 -1.07 0.00 0.00 179.97 178.22 1yhq h TYR 140 N 0.67 0.82 -0.76 3.04 3.20 -1.04 -2.86 116.97 120.05 1yhq h TYR 140 Ca 0.18 -0.12 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1yhq h TYR 140 Cb -0.07 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 37.94 1yhq h TYR 140 CO -0.04 0.77 0.39 0.82 -1.64 0.00 0.00 178.16 178.46 1yhq h ILE 141 N 0.72 1.24 0.00 1.81 2.04 -0.33 -2.63 117.51 120.36 1yhq h ILE 141 Ca 0.14 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 1yhq h ILE 141 Cb 0.46 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 1yhq h ILE 141 CO 0.02 0.27 -0.05 0.47 0.00 0.00 0.00 178.15 178.87 1yhq n ASP 142 N -4.42 3.44 0.00 1.72 8.00 -0.72 -5.10 116.55 119.47 1yhq n ASP 142 Ca 0.07 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.52 1yhq n ASP 142 Cb 0.12 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 40.37 1yhq n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81