#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0b h ASN -1 N 0.00 0.59 0.00 4.04 -0.00 -2.04 -3.14 115.58 115.03 1y0b h ASN -1 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 56.30 55.78 1y0b h ASN -1 Cb 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 38.32 38.15 1y0b h ASN -1 CO 0.00 0.99 0.00 0.00 -0.00 0.00 0.00 177.43 178.42 1y0b n ALA 0 N -2.48 1.28 0.00 1.57 0.00 -1.26 -1.15 120.51 118.47 1y0b n ALA 0 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1y0b n ALA 0 Cb 0.47 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1y0b n ALA 0 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1y0b n GLU 2 N 0.78 0.00 -0.20 0.00 1.02 -1.19 -0.96 120.64 120.10 1y0b n GLU 2 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 1y0b n GLU 2 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 1y0b n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1y0b h ALA 3 N 0.00 0.72 -0.20 0.62 0.00 -1.43 -0.78 119.26 118.18 1y0b h ALA 3 Ca 0.00 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1y0b h ALA 3 Cb 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1y0b h ALA 3 CO 0.00 0.23 0.02 1.25 0.00 0.00 0.00 179.25 180.75 1y0b h LEU 4 N 0.75 0.33 -0.58 0.00 5.85 -1.29 -1.86 115.31 118.51 1y0b h LEU 4 Ca 0.20 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.66 1y0b h LEU 4 Cb 0.04 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1y0b h LEU 4 CO -0.03 0.52 0.36 0.11 -0.34 0.00 0.00 178.44 179.06 1y0b h LYS 5 N 0.12 0.70 -0.54 1.25 1.57 -1.78 -0.93 116.57 116.96 1y0b h LYS 5 Ca 0.06 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1y0b h LYS 5 Cb 0.34 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1y0b h LYS 5 CO 0.01 0.46 0.33 -0.09 -0.57 0.00 0.00 179.45 179.59 1y0b h ARG 6 N 0.72 0.64 -0.53 3.15 2.43 -1.07 -1.03 114.38 118.69 1y0b h ARG 6 Ca 0.23 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1y0b h ARG 6 Cb -0.00 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1y0b h ARG 6 CO -0.09 0.42 0.10 0.87 -1.51 0.00 0.00 179.97 179.77 1y0b h LYS 7 N 0.65 0.86 -0.30 0.20 1.57 -0.94 -0.68 116.57 117.94 1y0b h LYS 7 Ca 0.21 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1y0b h LYS 7 Cb 0.01 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1y0b h LYS 7 CO -0.09 0.83 0.17 0.82 -0.57 0.00 0.00 179.45 180.61 1y0b h ILE 8 N 0.75 1.03 -0.56 1.86 2.04 -0.99 0.31 117.51 121.95 1y0b h ILE 8 Ca 0.16 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 1y0b h ILE 8 Cb 0.38 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1y0b h ILE 8 CO 0.01 0.06 0.25 -0.33 0.00 0.00 0.00 178.15 178.14 1y0b h GLU 9 N 0.35 0.81 0.24 2.37 5.08 -1.01 0.62 114.58 123.04 1y0b h GLU 9 Ca 0.12 -0.13 -0.34 0.00 -1.00 0.00 0.00 59.36 58.01 1y0b h GLU 9 Cb 0.00 -0.14 0.03 0.00 0.50 0.00 0.00 28.75 29.14 1y0b h GLU 9 CO -0.06 0.67 -1.50 0.93 -1.00 0.00 0.00 179.01 178.06 1y0b h GLU 10 N 0.75 0.51 0.00 2.33 4.39 -1.00 -3.41 114.58 118.16 1y0b h GLU 10 Ca 0.19 -0.88 0.00 0.00 0.34 0.00 0.00 59.36 59.01 1y0b h GLU 10 Cb 0.14 0.33 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1y0b h GLU 10 CO -0.02 1.42 -1.24 0.39 -1.16 0.00 0.00 179.01 178.40 1y0b n GLU 11 N -3.72 0.35 -2.06 2.33 1.02 0.11 -5.02 120.64 113.65 1y0b n GLU 11 Ca -0.18 -0.05 -0.41 0.00 -0.02 0.00 0.00 57.16 56.50 1y0b n GLU 11 Cb 1.09 -1.13 -0.02 0.00 -0.02 0.00 0.00 31.44 31.36 1y0b n GLU 11 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1y0b s GLY 12 N -2.65 2.63 -0.18 0.62 0.00 0.21 -4.87 107.32 103.08 1y0b s GLY 12 Ca -0.02 1.30 -0.00 0.00 0.00 0.00 0.00 44.72 45.99 1y0b s GLY 12 CO 0.25 2.12 -0.15 0.14 0.00 0.00 0.00 173.10 175.45 1y0b s VAL 13 N -0.49 2.51 -0.40 1.40 1.01 -0.17 -4.88 120.40 119.37 1y0b s VAL 13 Ca 0.55 -0.80 -0.26 0.00 0.00 0.00 0.00 61.98 61.47 1y0b s VAL 13 Cb -0.41 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 33.91 1y0b s VAL 13 CO 0.48 0.51 0.94 -0.69 0.00 0.00 0.00 175.10 176.33 1y0b s VAL 14 N 1.22 4.53 -0.12 2.92 1.01 -1.26 0.26 120.40 128.97 1y0b s VAL 14 Ca 0.03 1.09 0.17 0.00 0.00 0.00 0.00 61.98 63.28 1y0b s VAL 14 Cb -0.14 -4.37 -0.19 0.00 0.00 0.00 0.00 36.38 31.67 1y0b s VAL 14 CO -0.08 -0.64 0.61 0.18 0.00 0.00 0.00 175.10 175.18 1y0b n LEU 15 N 6.93 0.57 -3.85 3.92 4.77 -0.15 -4.91 117.00 124.28 1y0b n LEU 15 Ca 0.07 0.25 -0.05 0.00 -0.03 0.00 0.00 56.01 56.25 1y0b n LEU 15 Cb 0.48 0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.75 1y0b n LEU 15 CO 0.60 0.22 0.71 -0.94 -1.33 0.00 0.00 177.39 176.65 1y0b s SER 16 N -5.57 -0.01 0.42 -1.43 1.04 -1.11 -4.93 113.70 102.12 1y0b s SER 16 Ca -0.05 -0.82 0.24 0.00 0.48 0.00 0.00 55.95 55.79 1y0b s SER 16 Cb 0.09 0.62 1.29 0.00 0.10 0.00 0.00 66.02 68.12 1y0b s SER 16 CO 0.83 -1.23 1.70 0.44 0.98 0.00 0.00 173.24 175.96 1y0b h ASP 17 N 2.00 0.00 0.00 7.02 3.45 -1.96 -2.82 116.42 124.11 1y0b h ASP 17 Ca -0.29 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.17 1y0b h ASP 17 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 1y0b h ASP 17 CO 0.37 0.00 -0.91 0.00 -1.57 0.00 0.00 179.24 177.13 1y0b n GLN 18 N -2.40 1.94 -4.05 3.56 1.13 -1.26 -4.45 117.38 111.85 1y0b n GLN 18 Ca -0.02 -0.03 -0.27 0.00 -1.94 0.00 0.00 57.00 54.74 1y0b n GLN 18 Cb 0.16 -1.01 -0.17 0.00 0.11 0.00 0.00 30.24 29.34 1y0b n GLN 18 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1y0b s VAL 19 N -2.10 1.20 -0.20 5.09 1.01 -1.07 -5.10 120.40 119.24 1y0b s VAL 19 Ca -0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 1y0b s VAL 19 Cb 0.04 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 1y0b s VAL 19 CO 0.24 0.39 -0.02 -0.22 0.00 0.00 0.00 175.10 175.49 1y0b s LEU 20 N 1.48 3.10 -0.24 3.92 2.96 -1.26 -0.97 118.68 127.66 1y0b s LEU 20 Ca 0.02 -0.27 -0.19 0.00 -0.22 0.00 0.00 54.13 53.47 1y0b s LEU 20 Cb -0.13 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 1y0b s LEU 20 CO -0.07 0.05 0.57 -0.75 -1.32 0.00 0.00 176.35 174.83 1y0b s LYS 21 N 1.09 4.12 -0.29 1.98 2.20 0.14 -4.93 119.74 124.05 1y0b s LYS 21 Ca 0.02 0.45 0.15 0.00 -0.36 0.00 0.00 55.97 56.23 1y0b s LYS 21 Cb -0.15 -3.63 0.48 0.00 -1.51 0.00 0.00 37.83 33.03 1y0b s LYS 21 CO 0.01 -0.33 1.14 1.33 -0.36 0.00 0.00 175.35 177.13 1y0b n VAL 22 N 5.02 1.88 0.31 4.02 0.24 -1.26 -1.00 118.33 127.53 1y0b n VAL 22 Ca -0.03 -3.61 0.15 0.00 -2.04 0.00 0.00 64.34 58.81 1y0b n VAL 22 Cb 0.50 0.04 0.67 0.00 -1.47 0.00 0.00 33.84 33.58 1y0b n VAL 22 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1y0b h ASP 23 N 2.44 0.00 1.12 -1.34 3.32 -1.91 -0.88 116.42 119.17 1y0b h ASP 23 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1y0b h ASP 23 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 1y0b h ASP 23 CO 0.49 0.00 -0.17 -1.54 -1.72 0.00 0.00 179.24 176.30 1y0b n SER 24 N -2.57 0.52 0.00 6.45 3.41 -1.26 -0.39 113.62 119.78 1y0b n SER 24 Ca 0.00 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 1y0b n SER 24 Cb 0.18 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1y0b n SER 24 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1y0b n PHE 25 N -1.93 0.00 0.00 7.33 1.16 -0.93 -4.55 117.46 118.54 1y0b n PHE 25 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.64 1y0b n PHE 25 Cb 0.40 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.27 1y0b n PHE 25 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 1y0b n LEU 26 N 0.00 0.23 -0.80 5.98 7.94 -0.35 -2.46 117.00 127.54 1y0b n LEU 26 Ca 0.00 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.99 1y0b n LEU 26 Cb 0.00 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.05 1y0b n LEU 26 CO 0.00 -0.02 0.57 0.59 -1.11 0.00 0.00 177.39 177.43 1y0b n ASN 27 N -2.89 2.71 0.17 1.96 3.02 -1.13 -4.77 115.26 114.33 1y0b n ASN 27 Ca 0.00 -1.81 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 1y0b n ASN 27 Cb 0.44 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.56 1y0b n ASN 27 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1y0b n HIS 28 N 1.08 -3.81 -3.43 3.10 -0.00 -1.22 -4.94 115.22 105.99 1y0b n HIS 28 Ca 0.12 1.09 -0.38 0.00 0.46 0.00 0.00 57.72 59.02 1y0b n HIS 28 Cb 0.48 2.74 -0.06 0.00 -0.12 0.00 0.00 29.99 33.03 1y0b n HIS 28 CO 0.00 0.00 0.00 -1.14 0.46 0.00 0.00 176.34 175.66 1y0b s GLN 29 N -2.00 4.16 -0.11 1.57 0.74 0.47 -5.05 119.66 119.43 1y0b s GLN 29 Ca 0.00 0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.77 1y0b s GLN 29 Cb 0.00 -3.35 -0.02 0.00 1.10 0.00 0.00 33.01 30.74 1y0b s GLN 29 CO 0.00 0.38 -0.12 0.42 -0.55 0.00 0.00 175.29 175.42 1y0b s ILE 30 N -0.07 3.18 -0.58 -2.34 1.01 -1.26 -2.07 121.20 119.07 1y0b s ILE 30 Ca 0.23 -0.63 -0.21 0.00 0.00 0.00 0.00 60.65 60.04 1y0b s ILE 30 Cb -0.15 -2.32 0.07 0.00 0.01 0.00 0.00 42.46 40.06 1y0b s ILE 30 CO 0.10 0.54 0.80 -0.62 0.00 0.00 0.00 174.94 175.75 1y0b s ASP 31 N 0.08 6.22 0.34 3.58 -1.08 -1.03 -4.95 116.67 119.83 1y0b s ASP 31 Ca -0.05 -0.95 0.05 0.00 -0.52 0.00 0.00 52.55 51.08 1y0b s ASP 31 Cb -0.14 -2.36 0.62 0.00 -1.46 0.00 0.00 42.92 39.58 1y0b s ASP 31 CO 0.04 -1.16 1.88 -0.65 0.52 0.00 0.00 175.17 175.80 1y0b h PRO 32 N 9.26 0.50 -0.36 4.34 0.11 -1.98 -2.64 132.00 141.22 1y0b h PRO 32 Ca -0.28 -0.11 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 1y0b h PRO 32 Cb 1.08 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1y0b h PRO 32 CO 1.08 0.54 0.13 1.25 -0.21 0.00 0.00 178.00 180.79 1y0b h LEU 33 N 0.48 0.51 -1.83 2.35 5.85 -2.01 -0.69 115.31 119.97 1y0b h LEU 33 Ca 0.10 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1y0b h LEU 33 Cb 0.33 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1y0b h LEU 33 CO 0.01 0.56 0.00 -0.11 -0.34 0.00 0.00 178.44 178.56 1y0b n LEU 34 N -4.66 0.00 0.00 2.25 7.94 -1.00 -1.79 117.00 119.74 1y0b n LEU 34 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 1y0b n LEU 34 Cb 0.16 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.11 1y0b n LEU 34 CO 0.37 0.00 0.00 1.67 -1.11 0.00 0.00 177.39 178.32 1y0b n GLN 36 N 0.81 0.00 -0.21 1.96 7.27 -0.27 -1.00 117.38 125.94 1y0b n GLN 36 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 57.04 1y0b n GLN 36 Cb 0.00 0.00 0.16 0.00 2.41 0.00 0.00 30.24 32.81 1y0b n GLN 36 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1y0b h ARG 37 N 0.00 1.01 -0.13 3.69 3.08 -1.63 0.15 114.38 120.54 1y0b h ARG 37 Ca 0.00 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 1y0b h ARG 37 Cb 0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1y0b h ARG 37 CO 0.00 0.81 0.05 0.82 -1.07 0.00 0.00 179.97 180.57 1y0b h ILE 38 N 0.99 1.17 -0.85 2.04 2.04 -1.34 -1.44 117.51 120.11 1y0b h ILE 38 Ca 0.24 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1y0b h ILE 38 Cb 0.16 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 1y0b h ILE 38 CO -0.02 0.15 0.55 1.23 0.00 0.00 0.00 178.15 180.06 1y0b h GLY 39 N 0.04 1.22 1.60 5.37 0.00 -1.70 -1.31 103.07 108.28 1y0b h GLY 39 Ca 0.04 -0.47 -0.06 0.00 0.00 0.00 0.00 47.33 46.84 1y0b h GLY 39 CO -0.00 0.46 -0.06 -0.55 0.00 0.00 0.00 176.54 176.39 1y0b h ASP 40 N 1.16 0.46 -0.16 0.19 5.19 -0.64 -0.45 116.42 122.18 1y0b h ASP 40 Ca 0.31 -0.10 -0.11 0.00 -0.62 0.00 0.00 57.03 56.51 1y0b h ASP 40 Cb -0.10 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.29 1y0b h ASP 40 CO -0.06 0.58 -0.31 -0.08 -3.12 0.00 0.00 179.24 176.24 1y0b h GLU 41 N 0.46 0.49 -0.49 3.56 4.57 -0.76 -1.31 114.58 121.09 1y0b h GLU 41 Ca 0.09 -0.32 0.01 0.00 -1.18 0.00 0.00 59.36 57.97 1y0b h GLU 41 Cb 0.40 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 1y0b h GLU 41 CO 0.02 0.92 0.31 0.74 -1.18 0.00 0.00 179.01 179.82 1y0b h PHE 42 N 0.12 0.59 -0.69 0.92 0.05 -1.14 -2.29 116.94 114.50 1y0b h PHE 42 Ca 0.01 0.02 0.03 0.00 3.82 0.00 0.00 57.97 61.84 1y0b h PHE 42 Cb 0.91 -0.19 -0.04 0.00 2.00 0.00 0.00 35.95 38.62 1y0b h PHE 42 CO 0.10 0.35 0.43 0.00 -0.18 0.00 0.00 178.31 179.01 1y0b h ALA 43 N 1.20 0.89 -0.53 2.45 0.00 -1.01 -1.91 119.26 120.35 1y0b h ALA 43 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1y0b h ALA 43 Cb -0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1y0b h ALA 43 CO -0.06 0.21 0.34 1.03 0.00 0.00 0.00 179.25 180.77 1y0b h SER 44 N 0.85 0.62 0.44 0.00 0.87 -1.01 0.86 113.55 116.18 1y0b h SER 44 Ca 0.27 -0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.72 1y0b h SER 44 Cb 0.01 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1y0b h SER 44 CO -0.10 0.46 -0.39 0.03 -0.53 0.00 0.00 176.83 176.30 1y0b h ARG 45 N 0.72 0.00 -0.30 2.24 3.08 -1.06 -3.09 114.38 115.97 1y0b h ARG 45 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1y0b h ARG 45 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1y0b h ARG 45 CO -0.04 0.39 0.00 1.19 -1.07 0.00 0.00 179.97 180.44 1y0b n PHE 46 N -3.99 0.86 0.04 3.04 3.01 -0.75 -4.75 117.46 114.93 1y0b n PHE 46 Ca -0.02 -0.77 0.04 0.00 1.01 0.00 0.00 57.45 57.71 1y0b n PHE 46 Cb 0.43 -0.24 0.43 0.00 -0.01 0.00 0.00 39.48 40.08 1y0b n PHE 46 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y0b h ALA 47 N 1.97 1.67 -0.45 4.37 0.00 -0.75 -2.77 119.26 123.31 1y0b h ALA 47 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1y0b h ALA 47 Cb 1.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1y0b h ALA 47 CO 0.17 0.28 0.00 1.63 0.00 0.00 0.00 179.25 181.33 1y0b n LYS 48 N -4.43 2.55 -0.22 0.00 4.76 -1.26 -4.59 118.16 114.97 1y0b n LYS 48 Ca 0.02 -2.21 0.11 0.00 -2.87 0.00 0.00 58.31 53.36 1y0b n LYS 48 Cb 0.11 -1.40 0.26 0.00 -1.84 0.00 0.00 35.03 32.15 1y0b n LYS 48 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1y0b n ASP 49 N 1.07 3.23 -2.46 4.39 8.00 -1.04 -4.96 116.55 124.78 1y0b n ASP 49 Ca 0.17 -1.96 -0.16 0.00 0.71 0.00 0.00 54.79 53.55 1y0b n ASP 49 Cb 0.51 -0.29 0.05 0.00 -0.02 0.00 0.00 41.12 41.37 1y0b n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y0b n GLY 50 N 1.47 -0.09 3.73 0.44 0.00 -1.26 -4.97 105.19 104.51 1y0b n GLY 50 Ca 0.20 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1y0b n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y0b s ILE 51 N -3.14 2.43 -0.19 -0.61 -1.09 -1.26 -4.65 121.20 112.68 1y0b s ILE 51 Ca 0.34 0.33 0.09 0.00 -2.23 0.00 0.00 60.65 59.18 1y0b s ILE 51 Cb -0.15 -3.21 -0.13 0.00 -1.58 0.00 0.00 42.46 37.39 1y0b s ILE 51 CO 0.42 0.04 0.29 0.35 -1.23 0.00 0.00 174.94 174.81 1y0b n THR 52 N 3.26 0.00 -3.58 2.92 -2.24 -0.42 -4.96 114.28 109.26 1y0b n THR 52 Ca 0.11 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 1y0b n THR 52 Cb 0.38 0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 69.14 1y0b n THR 52 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1y0b s LYS 53 N -2.33 0.75 -0.10 -0.78 2.20 -1.24 -4.29 119.74 113.94 1y0b s LYS 53 Ca -0.01 0.35 -0.03 0.00 -0.36 0.00 0.00 55.97 55.93 1y0b s LYS 53 Cb 0.07 0.36 -0.03 0.00 -1.51 0.00 0.00 37.83 36.71 1y0b s LYS 53 CO 0.39 -0.20 0.00 0.42 -0.36 0.00 0.00 175.35 175.61 1y0b s ILE 54 N -0.74 4.30 -0.08 5.43 -1.09 -0.41 -1.50 121.20 127.11 1y0b s ILE 54 Ca -0.04 -0.24 0.04 0.00 -2.23 0.00 0.00 60.65 58.18 1y0b s ILE 54 Cb -0.02 -2.83 0.00 0.00 -1.58 0.00 0.00 42.46 38.04 1y0b s ILE 54 CO 0.03 0.58 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.42 1y0b s VAL 55 N -0.62 1.76 0.00 2.92 1.01 -0.54 -0.25 120.40 124.67 1y0b s VAL 55 Ca 0.10 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.22 1y0b s VAL 55 Cb -0.12 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.74 1y0b s VAL 55 CO 0.02 0.49 0.00 1.07 0.00 0.00 0.00 175.10 176.69 1y0b n THR 56 N 3.43 0.00 -3.99 3.92 5.66 0.20 -1.33 114.28 122.17 1y0b n THR 56 Ca -0.19 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.68 1y0b n THR 56 Cb 0.53 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.17 1y0b n THR 56 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 1y0b s ILE 57 N -1.77 0.18 0.58 1.09 2.07 -1.26 -0.60 121.20 121.50 1y0b s ILE 57 Ca 0.00 -0.25 -0.20 0.00 -1.41 0.00 0.00 60.65 58.79 1y0b s ILE 57 Cb 0.00 -0.19 -0.03 0.00 0.13 0.00 0.00 42.46 42.37 1y0b s ILE 57 CO 0.00 -0.05 1.35 -1.83 -1.91 0.00 0.00 174.94 172.50 1y0b s GLU 58 N -0.31 2.91 -0.13 3.50 -1.05 -0.93 -3.33 118.70 119.36 1y0b s GLU 58 Ca -0.02 2.20 0.04 0.00 -0.15 0.00 0.00 54.97 57.04 1y0b s GLU 58 Cb -0.02 -2.11 -0.11 0.00 -0.44 0.00 0.00 34.13 31.45 1y0b s GLU 58 CO -0.00 -1.36 -0.07 0.43 0.95 0.00 0.00 175.26 175.21 1y0b n SER 59 N -1.35 2.71 0.27 0.83 7.64 -1.26 -4.80 113.62 117.66 1y0b n SER 59 Ca 0.12 -0.05 0.15 0.00 1.01 0.00 0.00 58.87 60.10 1y0b n SER 59 Cb 0.46 0.11 0.73 0.00 -1.01 0.00 0.00 64.21 64.51 1y0b n SER 59 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1y0b h SER 60 N 0.00 0.00 0.95 6.43 0.02 -1.90 -2.64 113.55 116.40 1y0b h SER 60 Ca -0.31 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.58 1y0b h SER 60 Cb 1.55 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.08 1y0b h SER 60 CO -0.03 0.09 -0.30 1.23 -1.14 0.00 0.00 176.83 176.69 1y0b h GLY 61 N 1.27 0.00 0.82 -3.77 0.00 -1.86 -3.37 103.07 96.16 1y0b h GLY 61 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 1y0b h GLY 61 CO 0.01 0.00 -0.09 -2.22 0.00 0.00 0.00 176.54 174.24 1y0b h ILE 62 N 0.00 0.77 0.48 2.60 2.04 -1.63 -1.57 117.51 120.20 1y0b h ILE 62 Ca -0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1y0b h ILE 62 Cb 0.86 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1y0b h ILE 62 CO 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 178.15 177.88 1y0b h ALA 63 N 0.75 -0.77 -0.35 1.87 0.00 -1.78 0.19 119.26 119.18 1y0b h ALA 63 Ca 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1y0b h ALA 63 Cb 0.20 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1y0b h ALA 63 CO -0.06 -0.95 0.08 -1.00 0.00 0.00 0.00 179.25 177.32 1y0b h PRO 64 N -0.76 0.51 -0.38 0.00 0.13 -1.78 -2.80 132.00 126.91 1y0b h PRO 64 Ca -0.05 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 1y0b h PRO 64 Cb 0.63 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.65 1y0b h PRO 64 CO 0.05 0.47 0.16 0.00 -0.23 0.00 0.00 178.00 178.45 1y0b h ALA 65 N 1.60 0.49 0.00 -0.56 0.00 -0.87 -2.15 119.26 117.76 1y0b h ALA 65 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1y0b h ALA 65 Cb 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1y0b h ALA 65 CO -0.00 0.09 0.00 0.28 0.00 0.00 0.00 179.25 179.61 1y0b n VAL 66 N -4.67 0.27 0.00 0.00 0.31 0.62 -0.95 118.33 113.91 1y0b n VAL 66 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1y0b n VAL 66 Cb 0.14 -0.62 0.00 0.00 -0.91 0.00 0.00 33.84 32.45 1y0b n VAL 66 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1y0b n THR 68 N 0.83 0.00 -0.18 2.52 -1.04 -0.81 -0.67 114.28 114.93 1y0b n THR 68 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1y0b n THR 68 Cb 0.14 0.00 0.26 0.00 -1.82 0.00 0.00 70.33 68.91 1y0b n THR 68 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1y0b h GLY 69 N 0.00 0.98 0.92 3.41 0.00 -1.30 -1.05 103.07 106.02 1y0b h GLY 69 Ca 0.00 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 46.95 1y0b h GLY 69 CO 0.00 0.38 0.13 -2.00 0.00 0.00 0.00 176.54 175.05 1y0b h LEU 70 N 0.93 0.21 -0.32 3.11 5.85 -1.11 0.16 115.31 124.13 1y0b h LEU 70 Ca 0.25 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.81 1y0b h LEU 70 Cb -0.05 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 1y0b h LEU 70 CO -0.05 0.15 -0.42 0.50 -0.34 0.00 0.00 178.44 178.29 1y0b h LYS 71 N 0.28 0.85 0.00 1.25 1.63 -1.75 -3.05 116.57 115.77 1y0b h LYS 71 Ca 0.10 -0.48 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 1y0b h LYS 71 Cb 0.01 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1y0b h LYS 71 CO -0.06 1.12 0.00 -0.07 -3.45 0.00 0.00 179.45 177.00 1y0b h LEU 72 N 0.63 0.00 -1.23 5.20 3.38 -1.15 -3.48 115.31 118.67 1y0b h LEU 72 Ca 0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.82 1y0b h LEU 72 Cb 1.01 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.84 1y0b h LEU 72 CO 0.10 0.00 -0.36 0.61 0.09 0.00 0.00 178.44 178.88 1y0b n GLY 73 N 0.74 0.15 3.25 0.83 0.00 0.41 -5.07 105.19 105.49 1y0b n GLY 73 Ca 0.04 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 1y0b n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y0b s VAL 74 N -3.17 1.27 0.71 1.61 -7.23 -0.37 -5.04 120.40 108.18 1y0b s VAL 74 Ca 0.20 -1.86 -0.13 0.00 -1.81 0.00 0.00 61.98 58.37 1y0b s VAL 74 Cb -0.09 -1.66 0.03 0.00 0.56 0.00 0.00 36.38 35.23 1y0b s VAL 74 CO 0.37 -0.56 1.10 -2.84 -0.31 0.00 0.00 175.10 172.86 1y0b s PRO 75 N -3.12 2.53 -0.10 4.82 0.02 -1.26 -4.43 135.00 133.47 1y0b s PRO 75 Ca 0.12 1.30 0.03 0.00 0.02 0.00 0.00 61.00 62.47 1y0b s PRO 75 Cb -0.02 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.59 1y0b s PRO 75 CO 0.02 -1.45 -0.18 0.08 -0.33 0.00 0.00 177.00 175.15 1y0b s VAL 76 N -2.59 1.61 -0.16 3.83 1.01 -1.26 -1.29 120.40 121.55 1y0b s VAL 76 Ca 0.64 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 1y0b s VAL 76 Cb -0.19 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 1y0b s VAL 76 CO 0.48 0.46 -0.10 -0.69 0.00 0.00 0.00 175.10 175.25 1y0b s VAL 77 N 0.67 3.15 -0.22 2.92 1.01 0.65 -4.97 120.40 123.61 1y0b s VAL 77 Ca -0.13 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 1y0b s VAL 77 Cb -0.16 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1y0b s VAL 77 CO 0.03 0.50 0.08 0.72 0.00 0.00 0.00 175.10 176.43 1y0b s PHE 78 N 0.68 3.17 0.52 5.22 -0.12 -1.26 -0.63 117.98 125.55 1y0b s PHE 78 Ca -0.05 -0.14 -0.22 0.00 -0.05 0.00 0.00 56.93 56.47 1y0b s PHE 78 Cb -0.15 -2.18 -0.06 0.00 -0.63 0.00 0.00 43.02 40.01 1y0b s PHE 78 CO 0.02 -0.10 1.29 0.00 -0.05 0.00 0.00 175.22 176.38 1y0b s ALA 79 N 1.06 2.86 0.03 1.99 0.00 0.24 -4.81 121.76 123.12 1y0b s ALA 79 Ca 0.04 1.20 0.01 0.00 0.00 0.00 0.00 51.96 53.22 1y0b s ALA 79 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1y0b s ALA 79 CO 0.03 -1.15 0.06 1.03 0.00 0.00 0.00 175.76 175.74 1y0b s ARG 80 N -2.86 2.93 -0.04 0.00 0.52 -0.28 -2.20 118.95 117.03 1y0b s ARG 80 Ca 0.69 -0.59 0.21 0.00 -0.52 0.00 0.00 55.73 55.53 1y0b s ARG 80 Cb -0.36 -2.77 -0.31 0.00 0.52 0.00 0.00 34.95 32.03 1y0b s ARG 80 CO 0.43 0.61 0.45 1.63 0.02 0.00 0.00 175.30 178.45 1y0b n LYS 81 N 0.95 0.66 -4.33 3.54 5.02 -1.26 -1.41 118.16 121.33 1y0b n LYS 81 Ca -0.12 -0.15 -0.17 0.00 -2.02 0.00 0.00 58.31 55.85 1y0b n LYS 81 Cb 0.52 -1.54 -0.10 0.00 -0.02 0.00 0.00 35.03 33.89 1y0b n LYS 81 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1y0b s HIS 82 N -3.36 1.59 0.38 2.13 3.76 -1.26 -4.75 115.29 113.78 1y0b s HIS 82 Ca -0.08 -0.76 -0.28 0.00 -0.15 0.00 0.00 55.06 53.79 1y0b s HIS 82 Cb 0.13 -0.85 -0.11 0.00 1.11 0.00 0.00 32.58 32.85 1y0b s HIS 82 CO 0.89 0.15 1.50 0.15 -0.85 0.00 0.00 174.74 176.57 1y0b s LYS 83 N -3.76 4.10 0.24 1.40 1.02 -1.26 -5.02 119.74 116.46 1y0b s LYS 83 Ca 0.24 2.58 0.01 0.00 0.02 0.00 0.00 55.97 58.83 1y0b s LYS 83 Cb 0.03 -2.97 -0.05 0.00 -0.52 0.00 0.00 37.83 34.32 1y0b s LYS 83 CO 0.07 -0.55 0.08 -1.54 -0.92 0.00 0.00 175.35 172.49 1y0b s SER 84 N -0.11 1.17 0.23 2.83 1.04 -1.26 -5.07 113.70 112.52 1y0b s SER 84 Ca 0.53 -1.34 -0.08 0.00 0.48 0.00 0.00 55.95 55.55 1y0b s SER 84 Cb -0.47 0.16 0.23 0.00 0.10 0.00 0.00 66.02 66.04 1y0b s SER 84 CO 0.63 -0.70 1.90 0.25 0.98 0.00 0.00 173.24 176.30 1y0b h LEU 85 N 2.46 0.99 -0.47 2.42 5.85 -2.07 -3.31 115.31 121.18 1y0b h LEU 85 Ca -0.38 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.32 1y0b h LEU 85 Cb 1.24 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1y0b h LEU 85 CO 0.61 0.70 -0.13 0.35 -0.34 0.00 0.00 178.44 179.63 1y0b n THR 86 N -4.49 0.00 -2.69 1.05 -2.24 -1.26 -4.85 114.28 99.80 1y0b n THR 86 Ca 0.10 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 1y0b n THR 86 Cb 0.04 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 1y0b n THR 86 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1y0b s LEU 87 N -1.53 4.06 0.00 3.22 2.96 -1.25 -4.69 118.68 121.45 1y0b s LEU 87 Ca 0.03 -1.73 0.00 0.00 -0.22 0.00 0.00 54.13 52.21 1y0b s LEU 87 Cb 0.04 -2.51 0.00 0.00 0.50 0.00 0.00 46.19 44.22 1y0b s LEU 87 CO 0.14 -1.33 0.00 0.35 -1.32 0.00 0.00 176.35 174.19 1y0b n THR 88 N 6.36 0.00 -4.10 3.68 -2.24 -1.26 -4.73 114.28 111.98 1y0b n THR 88 Ca 0.31 -0.09 -0.09 0.00 -2.27 0.00 0.00 64.05 61.91 1y0b n THR 88 Cb 0.50 0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 69.15 1y0b n THR 88 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1y0b s ASP 89 N -0.95 0.33 -1.48 3.42 1.47 -1.26 -4.87 116.67 113.32 1y0b s ASP 89 Ca 0.00 -1.09 -0.12 0.00 1.18 0.00 0.00 52.55 52.52 1y0b s ASP 89 Cb 0.00 0.28 0.08 0.00 -0.34 0.00 0.00 42.92 42.94 1y0b s ASP 89 CO 0.00 -0.71 0.80 0.59 0.68 0.00 0.00 175.17 176.53 1y0b n ASN 90 N -0.04 -4.61 -4.69 2.11 3.02 -1.26 -4.52 115.26 105.26 1y0b n ASN 90 Ca -0.09 -0.63 -0.42 0.00 -0.03 0.00 0.00 54.58 53.42 1y0b n ASN 90 Cb 0.63 -3.72 -0.03 0.00 -0.61 0.00 0.00 39.78 36.05 1y0b n ASN 90 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1y0b s LEU 91 N -7.00 4.33 -0.22 3.41 1.43 -1.26 0.78 118.68 120.15 1y0b s LEU 91 Ca 0.56 2.12 -0.07 0.00 -1.03 0.00 0.00 54.13 55.72 1y0b s LEU 91 Cb -0.28 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 1y0b s LEU 91 CO 0.69 -0.68 0.04 -0.76 0.23 0.00 0.00 176.35 175.88 1y0b s LEU 92 N 2.06 3.42 0.19 1.79 1.43 0.14 -4.88 118.68 122.81 1y0b s LEU 92 Ca 0.63 -0.17 0.10 0.00 -1.03 0.00 0.00 54.13 53.66 1y0b s LEU 92 Cb -0.32 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1y0b s LEU 92 CO 0.27 0.03 -0.21 0.42 0.23 0.00 0.00 176.35 177.08 1y0b s THR 93 N 1.24 2.14 -0.01 5.49 -4.23 -1.26 -1.24 115.64 117.77 1y0b s THR 93 Ca 0.04 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.50 1y0b s THR 93 Cb -0.15 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.68 1y0b s THR 93 CO 0.03 -0.21 0.09 0.00 -0.54 0.00 0.00 174.62 173.99 1y0b s ALA 94 N -1.86 -0.22 -0.02 3.99 0.00 -0.65 -4.79 121.76 118.21 1y0b s ALA 94 Ca 0.19 -0.07 -0.23 0.00 0.00 0.00 0.00 51.96 51.85 1y0b s ALA 94 Cb -0.07 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.02 1y0b s ALA 94 CO 0.09 -0.14 0.69 -1.12 0.00 0.00 0.00 175.76 175.27 1y0b s SER 95 N -0.88 7.05 -0.23 0.00 0.01 -1.26 -1.19 113.70 117.19 1y0b s SER 95 Ca -0.10 1.25 0.02 0.00 1.31 0.00 0.00 55.95 58.43 1y0b s SER 95 Cb -0.06 -2.41 0.05 0.00 0.21 0.00 0.00 66.02 63.81 1y0b s SER 95 CO 0.01 -0.02 -0.12 -0.69 0.41 0.00 0.00 173.24 172.83 1y0b s VAL 96 N 0.28 1.97 0.01 3.43 1.01 0.84 -4.75 120.40 123.20 1y0b s VAL 96 Ca 0.36 -1.31 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1y0b s VAL 96 Cb -0.19 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1y0b s VAL 96 CO 0.19 0.13 1.24 -0.47 0.00 0.00 0.00 175.10 176.19 1y0b s TYR 97 N 1.23 3.25 -0.21 5.22 5.04 -1.26 -1.26 117.35 129.36 1y0b s TYR 97 Ca -0.04 1.18 -0.12 0.00 -2.44 0.00 0.00 57.07 55.65 1y0b s TYR 97 Cb -0.18 -3.47 -0.05 0.00 0.35 0.00 0.00 41.96 38.62 1y0b s TYR 97 CO -0.07 -1.52 0.23 0.45 -1.34 0.00 0.00 175.55 173.30 1y0b s SER 98 N 1.35 6.26 0.18 4.32 0.15 -0.10 -4.86 113.70 121.01 1y0b s SER 98 Ca 0.59 0.30 -0.02 0.00 0.70 0.00 0.00 55.95 57.51 1y0b s SER 98 Cb -0.28 -2.14 0.09 0.00 -1.71 0.00 0.00 66.02 61.97 1y0b s SER 98 CO 0.26 0.07 1.47 -0.26 1.20 0.00 0.00 173.24 175.98 1y0b h PHE 99 N 7.15 0.61 0.03 3.44 -1.00 -1.95 0.93 116.94 126.14 1y0b h PHE 99 Ca -0.39 -0.25 -0.00 0.00 2.81 0.00 0.00 57.97 60.15 1y0b h PHE 99 Cb 1.16 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.62 1y0b h PHE 99 CO 0.64 0.98 -0.01 1.15 -1.61 0.00 0.00 178.31 179.46 1y0b h THR 100 N 0.34 1.41 0.00 -1.55 2.02 -1.96 -3.29 112.91 109.87 1y0b h THR 100 Ca -0.01 -1.45 -0.00 0.00 0.77 0.00 0.00 66.41 65.72 1y0b h THR 100 Cb 1.20 2.36 -0.00 0.00 -1.74 0.00 0.00 68.15 69.98 1y0b h THR 100 CO 0.12 0.36 -0.00 0.11 0.37 0.00 0.00 175.52 176.47 1y0b h LYS 101 N -0.68 0.00 -3.63 6.66 1.57 -1.99 -3.46 116.57 115.03 1y0b h LYS 101 Ca -0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.36 1y0b h LYS 101 Cb 0.62 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.95 1y0b h LYS 101 CO 0.01 0.00 -0.57 0.94 -0.57 0.00 0.00 179.45 179.26 1y0b n GLN 102 N -3.10 -3.12 -3.85 3.15 -0.06 0.31 -4.97 117.38 105.75 1y0b n GLN 102 Ca 0.01 0.97 -0.09 0.00 -2.00 0.00 0.00 57.00 55.89 1y0b n GLN 102 Cb 0.36 -5.72 -0.05 0.00 -4.06 0.00 0.00 30.24 20.77 1y0b n GLN 102 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1y0b s THR 103 N -3.11 0.04 0.02 1.69 -1.32 -1.17 -4.98 115.64 106.81 1y0b s THR 103 Ca 0.14 -1.07 -0.15 0.00 -1.21 0.00 0.00 61.69 59.40 1y0b s THR 103 Cb -0.06 -1.71 -0.06 0.00 -1.51 0.00 0.00 72.50 69.16 1y0b s THR 103 CO 0.17 -0.20 0.42 -1.83 -2.21 0.00 0.00 174.62 170.97 1y0b s GLU 104 N -3.92 3.92 0.20 7.08 1.03 -1.26 -0.92 118.70 124.83 1y0b s GLU 104 Ca 0.13 0.42 0.11 0.00 0.03 0.00 0.00 54.97 55.66 1y0b s GLU 104 Cb 0.01 -3.20 -0.04 0.00 -0.80 0.00 0.00 34.13 30.10 1y0b s GLU 104 CO -0.01 0.67 -0.22 -1.12 -1.33 0.00 0.00 175.26 173.25 1y0b s SER 105 N -1.15 3.57 -0.03 0.83 0.01 -0.39 -4.89 113.70 111.64 1y0b s SER 105 Ca 0.25 -0.83 -0.13 0.00 1.31 0.00 0.00 55.95 56.55 1y0b s SER 105 Cb -0.17 -0.33 -0.05 0.00 0.21 0.00 0.00 66.02 65.68 1y0b s SER 105 CO 0.14 0.11 0.35 -1.10 0.41 0.00 0.00 173.24 173.16 1y0b s GLN 106 N -2.74 3.85 0.08 12.44 -1.52 -1.26 -0.11 119.66 130.40 1y0b s GLN 106 Ca 0.22 0.29 0.08 0.00 -1.95 0.00 0.00 55.36 54.00 1y0b s GLN 106 Cb -0.08 -3.23 -0.04 0.00 -0.22 0.00 0.00 33.01 29.44 1y0b s GLN 106 CO 0.11 0.67 -0.16 0.96 -0.25 0.00 0.00 175.29 176.62 1y0b s ILE 107 N -0.95 2.97 0.01 1.08 -4.36 -0.33 -4.62 121.20 114.99 1y0b s ILE 107 Ca 0.22 -1.31 0.01 0.00 -0.26 0.00 0.00 60.65 59.31 1y0b s ILE 107 Cb -0.16 -2.32 -0.01 0.00 1.25 0.00 0.00 42.46 41.22 1y0b s ILE 107 CO 0.11 0.20 -0.04 0.00 0.24 0.00 0.00 174.94 175.46 1y0b s ALA 108 N -1.07 0.25 0.00 2.27 0.00 -0.50 -1.63 121.76 121.08 1y0b s ALA 108 Ca 0.17 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.80 1y0b s ALA 108 Cb -0.11 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1y0b s ALA 108 CO 0.09 -0.02 -0.09 0.08 0.00 0.00 0.00 175.76 175.82 1y0b s VAL 109 N -0.69 0.68 -0.04 0.00 1.01 -0.37 -1.12 120.40 119.86 1y0b s VAL 109 Ca -0.06 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 1y0b s VAL 109 Cb -0.05 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 1y0b s VAL 109 CO -0.00 0.10 1.08 -0.55 0.00 0.00 0.00 175.10 175.73 1y0b s SER 110 N -0.44 7.20 0.15 3.32 0.15 -1.26 0.23 113.70 123.05 1y0b s SER 110 Ca 0.02 1.70 0.14 0.00 0.70 0.00 0.00 55.95 58.50 1y0b s SER 110 Cb -0.04 -2.56 0.65 0.00 -1.71 0.00 0.00 66.02 62.36 1y0b s SER 110 CO -0.00 -0.44 1.42 0.61 1.20 0.00 0.00 173.24 176.03 1y0b n GLY 111 N 3.13 -0.85 0.28 9.45 0.00 0.23 -1.62 105.19 115.82 1y0b n GLY 111 Ca 0.09 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1y0b n GLY 111 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1y0b h THR 112 N 0.00 0.86 -0.46 2.61 2.02 -1.87 -2.85 112.91 113.22 1y0b h THR 112 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1y0b h THR 112 Cb 0.11 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1y0b h THR 112 CO 0.00 0.00 0.00 1.41 0.37 0.00 0.00 175.52 177.30 1y0b n HIS 113 N -4.35 0.61 -3.65 3.16 -0.00 -0.64 -4.88 115.22 105.46 1y0b n HIS 113 Ca -0.02 -0.46 -0.21 0.00 -0.00 0.00 0.00 57.72 57.03 1y0b n HIS 113 Cb 0.15 -0.02 -0.18 0.00 -0.00 0.00 0.00 29.99 29.95 1y0b n HIS 113 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1y0b s LEU 114 N -1.02 0.16 0.37 2.41 1.43 -1.08 -4.99 118.68 115.96 1y0b s LEU 114 Ca 0.32 -0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.45 1y0b s LEU 114 Cb 0.17 -0.12 -0.04 0.00 0.03 0.00 0.00 46.19 46.23 1y0b s LEU 114 CO 0.22 -0.27 0.18 -0.94 0.23 0.00 0.00 176.35 175.77 1y0b s SER 115 N 2.18 4.65 0.00 2.29 1.04 -1.26 -4.78 113.70 117.81 1y0b s SER 115 Ca 0.04 -0.85 0.22 0.00 0.48 0.00 0.00 55.95 55.84 1y0b s SER 115 Cb -0.13 -0.64 1.13 0.00 0.10 0.00 0.00 66.02 66.48 1y0b s SER 115 CO -0.05 -0.41 1.70 -0.90 0.98 0.00 0.00 173.24 174.57 1y0b n ASP 116 N -1.22 0.00 -0.56 7.02 5.75 -1.16 -2.09 116.55 124.30 1y0b n ASP 116 Ca -0.02 -0.10 0.12 0.00 -0.01 0.00 0.00 54.79 54.78 1y0b n ASP 116 Cb 0.62 -0.25 0.07 0.00 -1.03 0.00 0.00 41.12 40.53 1y0b n ASP 116 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1y0b n GLN 117 N -1.25 1.40 -2.39 0.11 1.13 -1.26 -4.39 117.38 110.73 1y0b n GLN 117 Ca 0.11 -1.13 -0.39 0.00 -1.94 0.00 0.00 57.00 53.65 1y0b n GLN 117 Cb 0.16 -1.48 -0.03 0.00 0.11 0.00 0.00 30.24 29.00 1y0b n GLN 117 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1y0b s ASP 118 N -2.37 6.85 -0.27 1.08 1.01 -0.89 -4.98 116.67 117.10 1y0b s ASP 118 Ca 0.22 2.29 0.03 0.00 0.71 0.00 0.00 52.55 55.79 1y0b s ASP 118 Cb 0.19 -2.62 0.07 0.00 1.01 0.00 0.00 42.92 41.57 1y0b s ASP 118 CO 0.51 -0.44 -0.08 -2.28 0.21 0.00 0.00 175.17 173.08 1y0b s HIS 119 N -1.35 3.23 -0.13 4.23 5.65 -1.26 -2.03 115.29 123.62 1y0b s HIS 119 Ca 0.52 -2.35 -0.06 0.00 0.25 0.00 0.00 55.06 53.42 1y0b s HIS 119 Cb -0.30 -2.02 -0.04 0.00 -1.18 0.00 0.00 32.58 29.04 1y0b s HIS 119 CO 0.38 -0.88 0.08 0.08 -0.65 0.00 0.00 174.74 173.76 1y0b s VAL 120 N 1.11 4.98 -0.30 0.89 1.01 0.32 -1.31 120.40 127.11 1y0b s VAL 120 Ca -0.06 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.83 1y0b s VAL 120 Cb -0.20 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1y0b s VAL 120 CO -0.06 0.56 0.19 -0.22 0.00 0.00 0.00 175.10 175.57 1y0b s LEU 121 N -0.52 4.11 -0.07 3.92 2.96 -0.56 -0.25 118.68 128.27 1y0b s LEU 121 Ca 0.11 -0.18 -0.23 0.00 -0.22 0.00 0.00 54.13 53.61 1y0b s LEU 121 Cb -0.12 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 1y0b s LEU 121 CO 0.02 -0.11 0.67 -0.63 -1.32 0.00 0.00 176.35 174.98 1y0b s ILE 122 N 1.72 5.05 -0.06 6.68 1.01 -0.69 -1.47 121.20 133.44 1y0b s ILE 122 Ca 0.06 1.39 0.05 0.00 0.00 0.00 0.00 60.65 62.15 1y0b s ILE 122 Cb -0.16 -4.01 -0.00 0.00 0.01 0.00 0.00 42.46 38.29 1y0b s ILE 122 CO 0.10 0.27 -0.21 -0.63 0.00 0.00 0.00 174.94 174.47 1y0b s ILE 123 N 0.71 1.73 0.13 2.92 -1.09 -0.44 0.41 121.20 125.57 1y0b s ILE 123 Ca 0.36 -0.87 -0.07 0.00 -2.23 0.00 0.00 60.65 57.83 1y0b s ILE 123 Cb -0.18 -1.48 -0.01 0.00 -1.58 0.00 0.00 42.46 39.21 1y0b s ILE 123 CO 0.17 0.49 0.20 -0.62 -1.23 0.00 0.00 174.94 173.95 1y0b s ASP 124 N 0.05 0.13 -0.12 3.58 -1.08 -0.57 -4.30 116.67 114.36 1y0b s ASP 124 Ca -0.07 -0.85 -0.21 0.00 -0.52 0.00 0.00 52.55 50.90 1y0b s ASP 124 Cb -0.14 0.37 -0.18 0.00 -1.46 0.00 0.00 42.92 41.51 1y0b s ASP 124 CO 0.04 -0.80 0.58 -2.24 0.52 0.00 0.00 175.17 173.27 1y0b h ASP 125 N 2.69 -0.01 -3.93 -0.34 2.03 -1.87 -2.67 116.42 112.33 1y0b h ASP 125 Ca -0.33 -0.69 -0.68 0.00 -0.73 0.00 0.00 57.03 54.60 1y0b h ASP 125 Cb 1.21 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 39.50 1y0b h ASP 125 CO 0.53 0.82 -0.81 -0.36 -1.03 0.00 0.00 179.24 178.40 1y0b s PHE 126 N -2.14 2.54 -0.21 4.15 0.08 -1.26 -0.71 117.98 120.43 1y0b s PHE 126 Ca -0.14 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 56.66 1y0b s PHE 126 Cb -0.02 -1.43 0.04 0.00 -0.57 0.00 0.00 43.02 41.04 1y0b s PHE 126 CO 0.49 0.28 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.60 1y0b s LEU 127 N -1.59 2.52 0.00 -0.37 2.96 -0.49 -4.96 118.68 116.74 1y0b s LEU 127 Ca 0.15 -0.96 0.00 0.00 -0.22 0.00 0.00 54.13 53.10 1y0b s LEU 127 Cb -0.10 -1.36 0.00 0.00 0.50 0.00 0.00 46.19 45.23 1y0b s LEU 127 CO 0.06 -0.13 0.00 0.00 -1.32 0.00 0.00 176.35 174.97 1y0b n ALA 128 N 4.61 0.63 0.87 5.97 0.00 -1.26 -1.18 120.51 130.15 1y0b n ALA 128 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.41 1y0b n ALA 128 Cb 0.46 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.33 1y0b n ALA 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1y0b n ASN 129 N 0.00 0.38 0.00 0.00 3.02 -1.26 -1.37 115.26 116.03 1y0b n ASN 129 Ca 0.00 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1y0b n ASN 129 Cb 0.00 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 1y0b n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y0b n GLY 130 N 1.44 0.67 0.26 7.41 0.00 -1.26 -3.98 105.19 109.74 1y0b n GLY 130 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 1y0b n GLY 130 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1y0b h GLN 131 N 1.85 0.86 -0.63 1.61 1.08 -1.93 -1.08 115.11 116.87 1y0b h GLN 131 Ca 0.00 -0.24 -0.08 0.00 -1.45 0.00 0.00 58.65 56.88 1y0b h GLN 131 Cb 0.00 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 1y0b h GLN 131 CO 0.00 0.86 0.09 0.00 -0.95 0.00 0.00 178.83 178.83 1y0b h ALA 132 N 0.97 0.84 -0.32 3.87 0.00 -1.92 -1.03 119.26 121.66 1y0b h ALA 132 Ca 0.15 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1y0b h ALA 132 Cb 0.43 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1y0b h ALA 132 CO 0.01 0.62 0.20 0.00 0.00 0.00 0.00 179.25 180.08 1y0b h ALA 133 N 1.03 0.41 -0.79 0.00 0.00 -1.90 0.06 119.26 118.06 1y0b h ALA 133 Ca 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1y0b h ALA 133 Cb 0.45 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1y0b h ALA 133 CO 0.02 -0.15 0.44 0.45 0.00 0.00 0.00 179.25 180.00 1y0b h HIS 134 N 0.41 1.06 -0.40 0.00 -0.00 -1.03 -0.03 115.15 115.16 1y0b h HIS 134 Ca 0.12 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.47 1y0b h HIS 134 Cb -0.02 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.03 1y0b h HIS 134 CO -0.07 0.73 0.22 0.78 -0.00 0.00 0.00 177.93 179.59 1y0b h GLY 135 N 1.13 0.59 1.00 2.45 0.00 -0.74 -0.45 103.07 107.06 1y0b h GLY 135 Ca 0.28 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.29 1y0b h GLY 135 CO -0.05 0.26 0.17 1.41 0.00 0.00 0.00 176.54 178.34 1y0b h LEU 136 N 0.51 0.84 -0.36 3.11 3.38 -0.61 -1.69 115.31 120.49 1y0b h LEU 136 Ca 0.14 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.96 1y0b h LEU 136 Cb 0.06 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 1y0b h LEU 136 CO -0.02 0.83 0.02 0.58 0.09 0.00 0.00 178.44 179.94 1y0b h VAL 137 N 0.81 0.75 -0.32 1.22 2.07 -0.86 -1.38 116.25 118.54 1y0b h VAL 137 Ca 0.18 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.71 1y0b h VAL 137 Cb 0.30 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1y0b h VAL 137 CO -0.00 0.02 0.06 -1.28 0.02 0.00 0.00 177.57 176.38 1y0b h SER 138 N 0.12 -0.01 -0.55 0.57 0.87 -0.84 -1.23 113.55 112.48 1y0b h SER 138 Ca 0.18 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 1y0b h SER 138 Cb 0.24 0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 1y0b h SER 138 CO -0.28 0.03 0.36 0.40 -0.53 0.00 0.00 176.83 176.81 1y0b h ILE 139 N 0.17 1.14 -0.53 2.23 2.04 -1.09 0.69 117.51 122.17 1y0b h ILE 139 Ca 0.15 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1y0b h ILE 139 Cb 0.17 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1y0b h ILE 139 CO -0.21 0.14 0.26 0.58 0.00 0.00 0.00 178.15 178.92 1y0b h VAL 140 N 0.74 1.20 -0.71 1.67 2.07 -0.94 -2.10 116.25 118.18 1y0b h VAL 140 Ca 0.20 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1y0b h VAL 140 Cb -0.08 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 1y0b h VAL 140 CO -0.04 0.22 0.20 0.11 0.02 0.00 0.00 177.57 178.08 1y0b h LYS 141 N 0.71 1.12 -0.76 1.57 1.57 -0.96 -2.22 116.57 117.60 1y0b h LYS 141 Ca 0.18 -0.25 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1y0b h LYS 141 Cb 0.11 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 1y0b h LYS 141 CO -0.02 0.97 0.50 1.96 -0.57 0.00 0.00 179.45 182.29 1y0b h GLN 142 N 1.07 0.87 0.00 3.15 4.20 -0.50 -0.21 115.11 123.69 1y0b h GLN 142 Ca 0.23 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1y0b h GLN 142 Cb 0.33 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1y0b h GLN 142 CO -0.00 0.58 0.00 0.00 -0.67 0.00 0.00 178.83 178.73 1y0b n ALA 143 N -2.43 1.68 -0.83 3.87 0.00 -0.82 -4.88 120.51 117.10 1y0b n ALA 143 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1y0b n ALA 143 Cb 0.15 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1y0b n ALA 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y0b n GLY 144 N 0.05 0.68 3.88 0.00 0.00 -0.09 -2.96 105.19 106.75 1y0b n GLY 144 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1y0b n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y0b s ALA 145 N -2.50 3.26 0.31 4.61 0.00 -0.88 -4.58 121.76 121.99 1y0b s ALA 145 Ca 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1y0b s ALA 145 Cb 0.00 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 1y0b s ALA 145 CO 0.00 -0.31 0.48 -1.54 0.00 0.00 0.00 175.76 174.39 1y0b s SER 146 N -3.66 6.22 -0.23 0.00 1.04 -0.86 -4.27 113.70 111.94 1y0b s SER 146 Ca 0.52 0.21 -0.00 0.00 0.48 0.00 0.00 55.95 57.16 1y0b s SER 146 Cb -0.10 -1.82 0.03 0.00 0.10 0.00 0.00 66.02 64.23 1y0b s SER 146 CO 0.41 -0.27 -0.10 -0.63 0.98 0.00 0.00 173.24 173.63 1y0b s ILE 147 N -2.19 2.58 0.16 -1.02 1.01 -1.26 -0.52 121.20 119.95 1y0b s ILE 147 Ca 0.39 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 1y0b s ILE 147 Cb -0.09 -2.27 -0.14 0.00 0.01 0.00 0.00 42.46 39.96 1y0b s ILE 147 CO 0.33 0.27 1.38 0.00 0.00 0.00 0.00 174.94 176.92 1y0b h ALA 148 N 7.96 0.51 0.00 9.38 0.00 -0.93 -3.47 119.26 132.71 1y0b h ALA 148 Ca -0.35 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1y0b h ALA 148 Cb 1.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1y0b h ALA 148 CO 0.58 0.81 0.00 0.41 0.00 0.00 0.00 179.25 181.05 1y0b n GLY 149 N 0.75 -0.34 2.96 0.00 0.00 -1.24 -4.51 105.19 102.81 1y0b n GLY 149 Ca -0.05 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 1y0b n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y0b s ILE 150 N -2.00 1.20 -0.20 -0.61 1.01 0.96 -1.71 121.20 119.85 1y0b s ILE 150 Ca 0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.17 1y0b s ILE 150 Cb 0.00 -1.17 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 1y0b s ILE 150 CO 0.00 0.39 0.04 -0.83 0.00 0.00 0.00 174.94 174.54 1y0b s GLY 151 N 1.50 1.81 -0.05 6.18 0.00 0.16 -0.25 107.32 116.67 1y0b s GLY 151 Ca 0.02 -0.88 0.04 0.00 0.00 0.00 0.00 44.72 43.90 1y0b s GLY 151 CO -0.07 0.18 -0.19 -0.42 0.00 0.00 0.00 173.10 172.60 1y0b s ILE 152 N 0.76 1.59 -0.04 0.90 -1.09 0.15 -1.50 121.20 121.97 1y0b s ILE 152 Ca 0.02 -0.80 -0.15 0.00 -2.23 0.00 0.00 60.65 57.50 1y0b s ILE 152 Cb -0.14 -1.37 -0.09 0.00 -1.58 0.00 0.00 42.46 39.29 1y0b s ILE 152 CO 0.02 0.45 0.61 0.58 -1.23 0.00 0.00 174.94 175.37 1y0b h VAL 153 N 5.33 0.10 -3.21 2.92 2.07 -1.34 -0.47 116.25 121.64 1y0b h VAL 153 Ca -0.31 -0.69 -0.63 0.00 0.82 0.00 0.00 66.70 65.89 1y0b h VAL 153 Cb 1.18 0.16 -0.36 0.00 -1.52 0.00 0.00 31.29 30.76 1y0b h VAL 153 CO 0.48 0.02 -0.83 -0.63 0.02 0.00 0.00 177.57 176.63 1y0b s ILE 154 N -3.21 1.79 -0.17 4.57 1.01 0.11 -1.13 121.20 124.17 1y0b s ILE 154 Ca -0.08 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.64 1y0b s ILE 154 Cb 0.01 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1y0b s ILE 154 CO 0.25 0.39 0.01 -0.70 0.00 0.00 0.00 174.94 174.90 1y0b s GLU 155 N 1.38 3.80 -0.67 2.79 2.12 0.48 -1.40 118.70 127.20 1y0b s GLU 155 Ca 0.03 -0.42 -0.20 0.00 0.36 0.00 0.00 54.97 54.73 1y0b s GLU 155 Cb -0.14 -3.06 0.10 0.00 0.26 0.00 0.00 34.13 31.29 1y0b s GLU 155 CO -0.11 0.28 0.85 0.15 -0.54 0.00 0.00 175.26 175.90 1y0b s LYS 156 N 0.30 3.16 0.51 4.30 1.02 -0.33 -0.31 119.74 128.39 1y0b s LYS 156 Ca 0.00 -1.25 0.33 0.00 0.02 0.00 0.00 55.97 55.07 1y0b s LYS 156 Cb -0.13 -4.34 1.44 0.00 -0.52 0.00 0.00 37.83 34.28 1y0b s LYS 156 CO 0.01 -1.66 1.98 0.77 -0.92 0.00 0.00 175.35 175.53 1y0b h SER 157 N 9.23 0.00 0.61 2.83 0.02 -1.04 -1.85 113.55 123.34 1y0b h SER 157 Ca -0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1y0b h SER 157 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1y0b h SER 157 CO 1.12 0.00 -0.06 2.22 -1.14 0.00 0.00 176.83 178.97 1y0b n PHE 158 N -2.91 0.00 -3.99 3.45 1.16 -1.24 -4.81 117.46 109.11 1y0b n PHE 158 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.32 1y0b n PHE 158 Cb 0.25 -0.31 -0.04 0.00 -1.61 0.00 0.00 39.48 37.77 1y0b n PHE 158 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1y0b s GLN 159 N -2.68 3.24 0.02 3.97 -0.21 -0.70 -5.04 119.66 118.26 1y0b s GLN 159 Ca 0.24 -0.69 0.17 0.00 0.02 0.00 0.00 55.36 55.10 1y0b s GLN 159 Cb 0.20 -2.85 0.71 0.00 1.00 0.00 0.00 33.01 32.07 1y0b s GLN 159 CO 0.50 0.51 1.53 -0.35 -2.12 0.00 0.00 175.29 175.37 1y0b n PRO 160 N -0.40 0.02 -0.11 2.91 -0.04 -1.25 -4.13 135.00 131.99 1y0b n PRO 160 Ca -0.07 0.24 -0.05 0.00 -0.04 0.00 0.00 63.50 63.57 1y0b n PRO 160 Cb 0.54 -1.53 0.01 0.00 -0.04 0.00 0.00 33.50 32.48 1y0b n PRO 160 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1y0b h GLY 161 N 2.77 0.28 0.96 0.55 0.00 -1.35 -2.18 103.07 104.09 1y0b h GLY 161 Ca 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1y0b h GLY 161 CO 0.00 -0.14 -0.17 -0.09 0.00 0.00 0.00 176.54 176.14 1y0b h ARG 162 N 0.01 -0.46 -0.81 4.80 2.43 -1.79 -2.42 114.38 116.14 1y0b h ARG 162 Ca 0.18 0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.46 1y0b h ARG 162 Cb 0.27 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 1y0b h ARG 162 CO -0.38 -0.28 0.53 -0.44 -1.51 0.00 0.00 179.97 177.89 1y0b h ASP 163 N -0.53 0.73 -0.43 -3.80 3.32 -1.80 0.02 116.42 113.93 1y0b h ASP 163 Ca -0.05 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1y0b h ASP 163 Cb 0.40 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1y0b h ASP 163 CO 0.08 0.46 0.12 -0.33 -1.72 0.00 0.00 179.24 177.85 1y0b h GLU 164 N 0.82 0.68 -0.27 3.56 5.08 -1.26 -0.42 114.58 122.78 1y0b h GLU 164 Ca 0.36 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.47 1y0b h GLU 164 Cb 0.33 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1y0b h GLU 164 CO -0.14 0.68 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.28 1y0b h LEU 165 N 0.56 0.64 -0.68 1.33 3.38 -0.86 -2.85 115.31 116.83 1y0b h LEU 165 Ca 0.14 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.67 1y0b h LEU 165 Cb 0.29 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1y0b h LEU 165 CO -0.00 0.96 0.45 0.58 0.09 0.00 0.00 178.44 180.51 1y0b h VAL 166 N 0.34 1.15 -0.01 1.22 2.07 -0.97 -2.24 116.25 117.80 1y0b h VAL 166 Ca 0.05 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1y0b h VAL 166 Cb 0.75 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1y0b h VAL 166 CO 0.05 0.16 -0.06 0.50 0.02 0.00 0.00 177.57 178.25 1y0b h LYS 167 N 0.90 0.02 -0.00 1.57 3.64 -1.05 -0.57 116.57 121.07 1y0b h LYS 167 Ca 0.26 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1y0b h LYS 167 Cb -0.07 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1y0b h LYS 167 CO -0.07 0.08 -0.03 1.28 -2.27 0.00 0.00 179.45 178.44 1y0b n LEU 168 N -4.46 0.43 0.00 5.20 4.77 -0.89 -4.91 117.00 117.14 1y0b n LEU 168 Ca -0.03 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1y0b n LEU 168 Cb 0.14 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1y0b n LEU 168 CO 0.35 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1y0b n GLY 169 N 1.14 0.85 3.79 -0.72 0.00 -0.22 -5.07 105.19 104.96 1y0b n GLY 169 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 1y0b n GLY 169 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y0b s TYR 170 N -2.06 3.78 -0.29 1.61 2.02 -0.92 -5.01 117.35 116.47 1y0b s TYR 170 Ca 0.00 1.56 -0.29 0.00 -0.37 0.00 0.00 57.07 57.97 1y0b s TYR 170 Cb 0.00 -2.73 0.01 0.00 -0.40 0.00 0.00 41.96 38.83 1y0b s TYR 170 CO 0.00 0.40 1.17 0.50 -1.57 0.00 0.00 175.55 176.05 1y0b s ARG 171 N -1.61 4.05 -0.23 -0.62 3.52 -1.26 -4.26 118.95 118.55 1y0b s ARG 171 Ca 0.41 1.22 -0.06 0.00 -0.13 0.00 0.00 55.73 57.17 1y0b s ARG 171 Cb -0.20 -3.78 -0.02 0.00 -1.56 0.00 0.00 34.95 29.39 1y0b s ARG 171 CO 0.24 -0.94 0.01 0.08 -0.81 0.00 0.00 175.30 173.89 1y0b s VAL 172 N 3.85 3.89 -0.40 7.11 1.01 -1.26 -0.02 120.40 134.57 1y0b s VAL 172 Ca 0.50 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1y0b s VAL 172 Cb -0.15 -2.79 0.11 0.00 0.00 0.00 0.00 36.38 33.55 1y0b s VAL 172 CO 0.17 0.39 0.17 -1.61 0.00 0.00 0.00 175.10 174.22 1y0b s GLU 173 N 1.42 1.86 -0.23 2.72 0.41 0.65 -4.98 118.70 120.57 1y0b s GLU 173 Ca 0.05 -1.87 -0.06 0.00 -0.41 0.00 0.00 54.97 52.68 1y0b s GLU 173 Cb -0.15 -3.47 -0.02 0.00 -1.78 0.00 0.00 34.13 28.71 1y0b s GLU 173 CO 0.01 -1.04 0.03 -1.12 -0.49 0.00 0.00 175.26 172.64 1y0b s SER 174 N 1.49 4.89 0.17 -0.19 0.01 -1.26 -0.67 113.70 118.15 1y0b s SER 174 Ca 0.09 -0.23 0.07 0.00 1.31 0.00 0.00 55.95 57.19 1y0b s SER 174 Cb -0.22 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1y0b s SER 174 CO -0.05 0.01 1.40 -0.07 0.41 0.00 0.00 173.24 174.93 1y0b h LEU 175 N 7.92 0.05 -7.73 2.44 3.38 -1.07 -3.41 115.31 116.89 1y0b h LEU 175 Ca -0.38 -0.05 -0.51 0.00 0.09 0.00 0.00 57.88 57.03 1y0b h LEU 175 Cb 1.17 -0.02 -0.36 0.00 0.09 0.00 0.00 40.66 41.54 1y0b h LEU 175 CO 0.60 0.89 -0.80 0.00 0.09 0.00 0.00 178.44 179.22 1y0b s ALA 176 N -3.08 1.22 -0.25 1.53 0.00 -0.28 -4.91 121.76 115.99 1y0b s ALA 176 Ca -0.01 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 1y0b s ALA 176 Cb 0.11 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.44 1y0b s ALA 176 CO 0.80 -0.30 -0.03 1.03 0.00 0.00 0.00 175.76 177.26 1y0b s ARG 177 N 1.50 3.03 -0.27 0.00 0.52 -1.26 -0.39 118.95 122.08 1y0b s ARG 177 Ca 0.01 -0.86 -0.11 0.00 -0.52 0.00 0.00 55.73 54.25 1y0b s ARG 177 Cb -0.13 -3.05 -0.05 0.00 0.52 0.00 0.00 34.95 32.24 1y0b s ARG 177 CO -0.05 -0.35 0.18 0.42 0.02 0.00 0.00 175.30 175.51 1y0b s ILE 178 N 1.40 5.29 0.11 1.52 1.01 0.58 -0.96 121.20 130.14 1y0b s ILE 178 Ca 0.02 0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.82 1y0b s ILE 178 Cb -0.16 -3.50 -0.24 0.00 0.01 0.00 0.00 42.46 38.57 1y0b s ILE 178 CO -0.03 0.28 1.23 -0.61 0.00 0.00 0.00 174.94 175.81 1y0b h GLN 179 N 8.09 0.23 -1.87 2.79 4.15 -0.10 0.12 115.11 128.52 1y0b h GLN 179 Ca -0.36 -0.34 0.03 0.00 0.77 0.00 0.00 58.65 58.75 1y0b h GLN 179 Cb 1.18 0.12 -0.20 0.00 0.21 0.00 0.00 27.48 28.79 1y0b h GLN 179 CO 0.58 1.12 0.40 0.45 -1.93 0.00 0.00 178.83 179.46 1y0b s SER 180 N -7.03 -0.48 0.00 -0.69 0.15 -0.94 -4.33 113.70 100.38 1y0b s SER 180 Ca -0.03 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.06 1y0b s SER 180 Cb 0.08 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 1y0b s SER 180 CO 0.86 -0.50 0.72 0.18 1.20 0.00 0.00 173.24 175.70 1y0b n LEU 181 N 0.61 1.41 -4.73 3.45 4.77 -1.26 -1.18 117.00 120.08 1y0b n LEU 181 Ca -0.13 -1.41 -0.36 0.00 -0.03 0.00 0.00 56.01 54.08 1y0b n LEU 181 Cb 0.58 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.75 1y0b n LEU 181 CO 0.18 0.35 0.85 -1.61 -1.33 0.00 0.00 177.39 175.83 1y0b s GLU 182 N -0.47 2.35 -2.00 3.23 2.02 -1.26 -2.72 118.70 119.84 1y0b s GLU 182 Ca 0.00 1.92 0.00 0.00 0.02 0.00 0.00 54.97 56.91 1y0b s GLU 182 Cb 0.00 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.39 1y0b s GLU 182 CO 0.00 -1.72 0.00 0.39 0.02 0.00 0.00 175.26 173.95 1y0b n GLU 183 N -2.30 -1.40 -2.50 1.61 -0.58 -1.26 -3.24 120.64 110.97 1y0b n GLU 183 Ca 0.15 1.14 -0.14 0.00 -0.42 0.00 0.00 57.16 57.89 1y0b n GLU 183 Cb 0.49 -5.53 0.01 0.00 -0.57 0.00 0.00 31.44 25.84 1y0b n GLU 183 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y0b n GLY 184 N -0.65 -0.14 2.91 0.62 0.00 -1.10 -5.01 105.19 101.81 1y0b n GLY 184 Ca -0.20 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 1y0b n GLY 184 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y0b s LYS 185 N -4.97 0.05 -0.04 1.61 2.20 -1.20 -4.68 119.74 112.71 1y0b s LYS 185 Ca 0.10 0.08 -0.30 0.00 -0.36 0.00 0.00 55.97 55.49 1y0b s LYS 185 Cb -0.04 0.00 -0.04 0.00 -1.51 0.00 0.00 37.83 36.25 1y0b s LYS 185 CO 0.12 -0.02 1.19 0.08 -0.36 0.00 0.00 175.35 176.35 1y0b s VAL 186 N 0.12 4.26 -0.18 4.02 1.01 -1.26 -4.11 120.40 124.26 1y0b s VAL 186 Ca -0.01 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.57 1y0b s VAL 186 Cb -0.01 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.35 1y0b s VAL 186 CO -0.00 0.02 -0.16 -0.55 0.00 0.00 0.00 175.10 174.41 1y0b s SER 187 N 1.38 3.44 0.40 3.32 0.15 -0.32 -5.02 113.70 117.04 1y0b s SER 187 Ca 0.56 -0.57 -0.12 0.00 0.70 0.00 0.00 55.95 56.52 1y0b s SER 187 Cb -0.25 -1.54 -0.07 0.00 -1.71 0.00 0.00 66.02 62.45 1y0b s SER 187 CO 0.23 0.02 0.78 -0.36 1.20 0.00 0.00 173.24 175.11 1y0b s PHE 188 N 1.21 3.45 0.32 3.44 0.08 -1.26 0.57 117.98 125.79 1y0b s PHE 188 Ca 0.03 1.11 -0.29 0.00 0.12 0.00 0.00 56.93 57.89 1y0b s PHE 188 Cb -0.14 -2.49 -0.12 0.00 -0.57 0.00 0.00 43.02 39.71 1y0b s PHE 188 CO -0.08 -0.09 1.53 0.28 -0.10 0.00 0.00 175.22 176.76 1y0b n VAL 189 N -1.14 1.39 -1.77 -0.44 0.31 -0.14 -4.48 118.33 112.07 1y0b n VAL 189 Ca 0.03 -0.35 -0.41 0.00 -0.01 0.00 0.00 64.34 63.60 1y0b n VAL 189 Cb 0.54 -1.90 -0.01 0.00 -0.91 0.00 0.00 33.84 31.56 1y0b n VAL 189 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1y0b s GLN 190 N -1.09 4.11 0.00 5.55 0.74 -1.26 -4.98 119.66 122.73 1y0b s GLN 190 Ca 0.60 2.59 0.04 0.00 0.05 0.00 0.00 55.36 58.65 1y0b s GLN 190 Cb -0.51 -3.00 0.03 0.00 1.10 0.00 0.00 33.01 30.64 1y0b s GLN 190 CO 0.54 -0.62 0.64 0.39 -0.55 0.00 0.00 175.29 175.69