#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0b n ALA 0 N 0.00 1.38 0.00 -2.53 0.00 -1.26 -1.56 120.51 116.54 1y0b n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1y0b n ALA 0 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1y0b n ALA 0 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1y0b n GLU 2 N 0.72 0.00 -0.28 0.00 4.07 -1.26 -0.89 120.64 123.00 1y0b n GLU 2 Ca 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.06 1y0b n GLU 2 Cb 0.04 0.00 0.07 0.00 -0.06 0.00 0.00 31.44 31.49 1y0b n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1y0b h ALA 3 N 0.00 0.98 -0.25 4.31 0.00 -1.73 -0.47 119.26 122.10 1y0b h ALA 3 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1y0b h ALA 3 Cb 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1y0b h ALA 3 CO 0.00 0.39 0.05 1.25 0.00 0.00 0.00 179.25 180.94 1y0b h LEU 4 N 1.04 0.39 -0.77 0.00 5.85 -1.27 -1.99 115.31 118.56 1y0b h LEU 4 Ca 0.28 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1y0b h LEU 4 Cb -0.11 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 1y0b h LEU 4 CO -0.06 0.53 0.43 0.11 -0.34 0.00 0.00 178.44 179.11 1y0b h LYS 5 N 0.23 1.06 -0.60 1.25 1.57 -1.71 -0.07 116.57 118.31 1y0b h LYS 5 Ca 0.08 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1y0b h LYS 5 Cb 0.30 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1y0b h LYS 5 CO 0.00 0.78 0.13 0.00 -0.57 0.00 0.00 179.45 179.79 1y0b h ARG 6 N 1.06 0.96 -0.39 3.15 2.47 -1.06 -0.86 114.38 119.72 1y0b h ARG 6 Ca 0.27 -0.24 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1y0b h ARG 6 Cb 0.01 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.19 1y0b h ARG 6 CO -0.05 0.89 0.21 -0.22 0.56 0.00 0.00 179.97 181.37 1y0b h LYS 7 N 0.87 0.54 -0.21 0.04 1.63 -0.96 0.14 116.57 118.62 1y0b h LYS 7 Ca 0.19 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 59.94 1y0b h LYS 7 Cb 0.37 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.87 1y0b h LYS 7 CO 0.00 0.43 0.08 0.82 -3.45 0.00 0.00 179.45 177.34 1y0b h ILE 8 N 0.50 0.97 -0.56 2.00 2.04 -0.88 0.77 117.51 122.35 1y0b h ILE 8 Ca 0.14 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 1y0b h ILE 8 Cb 0.05 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1y0b h ILE 8 CO -0.02 0.04 0.12 -0.33 0.00 0.00 0.00 178.15 177.95 1y0b h GLU 9 N 0.19 0.87 0.00 2.37 5.08 -0.81 0.53 114.58 122.81 1y0b h GLU 9 Ca 0.09 -0.19 -0.24 0.00 -1.00 0.00 0.00 59.36 58.02 1y0b h GLU 9 Cb 0.04 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1y0b h GLU 9 CO -0.08 0.79 -1.52 0.93 -1.00 0.00 0.00 179.01 178.13 1y0b h GLU 10 N 0.83 0.00 0.00 2.33 5.08 -0.57 -3.41 114.58 118.84 1y0b h GLU 10 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1y0b h GLU 10 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1y0b h GLU 10 CO 0.00 0.46 -0.47 0.39 -1.00 0.00 0.00 179.01 178.39 1y0b n GLU 11 N -3.02 2.86 -2.36 2.33 1.02 0.25 -5.05 120.64 116.67 1y0b n GLU 11 Ca -0.13 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.64 1y0b n GLU 11 Cb 0.96 -0.69 -0.02 0.00 -0.02 0.00 0.00 31.44 31.67 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 -1.20 2.78 -0.09 0.62 0.00 0.18 -4.87 107.32 104.73 1y0b s GLY 12 Ca 0.00 0.86 0.03 0.00 0.00 0.00 0.00 44.72 45.61 1y0b s GLY 12 CO 0.00 1.32 -0.19 0.14 0.00 0.00 0.00 173.10 174.38 1y0b s VAL 13 N -1.56 1.67 -0.29 1.40 1.01 -0.37 -4.88 120.40 117.39 1y0b s VAL 13 Ca 0.60 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 1y0b s VAL 13 Cb -0.27 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1y0b s VAL 13 CO 0.33 0.47 0.71 -0.69 0.00 0.00 0.00 175.10 175.92 1y0b s VAL 14 N 0.61 4.89 -0.14 2.92 1.01 -1.26 -0.24 120.40 128.18 1y0b s VAL 14 Ca -0.14 1.13 -0.10 0.00 0.00 0.00 0.00 61.98 62.87 1y0b s VAL 14 Cb -0.17 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 1y0b s VAL 14 CO 0.04 -0.13 0.19 -0.76 0.00 0.00 0.00 175.10 174.44 1y0b s LEU 15 N 2.74 4.32 -0.91 3.92 1.43 0.11 -4.50 118.68 125.78 1y0b s LEU 15 Ca 0.29 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 1y0b s LEU 15 Cb -0.15 -2.17 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1y0b s LEU 15 CO 0.11 0.29 0.00 -1.54 0.23 0.00 0.00 176.35 175.43 1y0b n SER 16 N 2.66 -3.24 -1.19 2.29 3.41 -1.26 -1.20 113.62 115.09 1y0b n SER 16 Ca -0.17 0.25 -0.16 0.00 -0.26 0.00 0.00 58.87 58.53 1y0b n SER 16 Cb 0.53 -2.84 -0.07 0.00 -0.26 0.00 0.00 64.21 61.57 1y0b n SER 16 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1y0b n ASP 17 N -1.41 -5.44 0.00 4.04 10.43 -1.26 -4.71 116.55 118.20 1y0b n ASP 17 Ca -0.12 0.39 0.00 0.00 2.57 0.00 0.00 54.79 57.63 1y0b n ASP 17 Cb 0.54 -4.31 0.00 0.00 1.84 0.00 0.00 41.12 39.19 1y0b n ASP 17 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1y0b n GLN 18 N -1.79 1.55 -3.85 -1.24 10.64 -0.34 -3.76 117.38 118.58 1y0b n GLN 18 Ca -0.16 0.00 -0.35 0.00 -1.83 0.00 0.00 57.00 54.66 1y0b n GLN 18 Cb 0.61 -0.13 -0.10 0.00 -0.86 0.00 0.00 30.24 29.76 1y0b n GLN 18 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1y0b s VAL 19 N 0.00 4.94 -0.33 -0.39 1.01 -0.55 -4.97 120.40 120.11 1y0b s VAL 19 Ca 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 1y0b s VAL 19 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 1y0b s VAL 19 CO 0.00 0.41 0.45 -0.22 0.00 0.00 0.00 175.10 175.74 1y0b s LEU 20 N 0.74 4.32 -0.29 3.92 2.96 -1.26 0.05 118.68 129.12 1y0b s LEU 20 Ca 0.05 -0.02 -0.18 0.00 -0.22 0.00 0.00 54.13 53.76 1y0b s LEU 20 Cb -0.13 -2.49 -0.02 0.00 0.50 0.00 0.00 46.19 44.05 1y0b s LEU 20 CO 0.02 -0.38 0.52 -0.75 -1.32 0.00 0.00 176.35 174.43 1y0b s LYS 21 N 2.23 3.95 -0.35 1.98 2.20 0.67 -4.94 119.74 125.47 1y0b s LYS 21 Ca 0.16 0.20 0.13 0.00 -0.36 0.00 0.00 55.97 56.10 1y0b s LYS 21 Cb -0.16 -3.69 0.45 0.00 -1.51 0.00 0.00 37.83 32.92 1y0b s LYS 21 CO 0.12 -0.44 1.06 1.33 -0.36 0.00 0.00 175.35 177.06 1y0b n VAL 22 N 5.25 1.68 0.47 4.02 0.24 -1.26 -1.23 118.33 127.50 1y0b n VAL 22 Ca -0.04 -3.82 0.10 0.00 -2.04 0.00 0.00 64.34 58.54 1y0b n VAL 22 Cb 0.49 -0.12 0.43 0.00 -1.47 0.00 0.00 33.84 33.17 1y0b n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1y0b n ASP 23 N -0.36 0.41 0.16 -1.34 9.92 -1.26 -1.58 116.55 122.51 1y0b n ASP 23 Ca 0.23 0.59 0.13 0.00 -0.53 0.00 0.00 54.79 55.21 1y0b n ASP 23 Cb 0.78 -0.69 0.29 0.00 -0.64 0.00 0.00 41.12 40.86 1y0b n ASP 23 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 1y0b h SER 24 N 0.00 0.00 0.00 -2.24 4.64 -1.90 0.68 113.55 114.73 1y0b h SER 24 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y0b h SER 24 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1y0b h SER 24 CO 0.00 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.18 1y0b n PHE 25 N -2.67 0.00 0.00 4.77 1.16 -1.12 -4.50 117.46 115.10 1y0b n PHE 25 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.63 1y0b n PHE 25 Cb 0.48 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.35 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 1.09 -0.61 5.98 7.94 -0.61 -1.65 117.00 129.14 1y0b n LEU 26 Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.97 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 0.13 0.52 0.59 -1.11 0.00 0.00 177.39 177.52 1y0b n ASN 27 N -2.64 2.43 0.18 1.96 3.02 -1.07 -4.79 115.26 114.34 1y0b n ASN 27 Ca 0.00 -1.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.85 1y0b n ASN 27 Cb 0.41 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 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 0.74 -4.07 -3.02 3.10 -0.00 -1.24 -4.93 115.22 105.81 1y0b n HIS 28 Ca 0.10 1.21 -0.38 0.00 0.46 0.00 0.00 57.72 59.11 1y0b n HIS 28 Cb 0.37 3.07 -0.06 0.00 -0.12 0.00 0.00 29.99 33.25 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 -1.77 4.48 -0.08 1.57 0.74 0.23 -5.05 119.66 119.77 1y0b s GLN 29 Ca 0.00 1.08 0.04 0.00 0.05 0.00 0.00 55.36 56.53 1y0b s GLN 29 Cb 0.00 -3.15 -0.01 0.00 1.10 0.00 0.00 33.01 30.95 1y0b s GLN 29 CO 0.00 0.52 -0.23 0.42 -0.55 0.00 0.00 175.29 175.45 1y0b s ILE 30 N -1.26 2.21 -0.60 -2.34 1.01 -1.26 -1.90 121.20 117.06 1y0b s ILE 30 Ca 0.38 -0.99 -0.19 0.00 0.00 0.00 0.00 60.65 59.84 1y0b s ILE 30 Cb -0.21 -1.83 0.10 0.00 0.01 0.00 0.00 42.46 40.52 1y0b s ILE 30 CO 0.24 0.56 0.74 -0.62 0.00 0.00 0.00 174.94 175.87 1y0b s ASP 31 N 0.07 6.19 0.29 3.58 -1.08 -0.66 -4.94 116.67 120.10 1y0b s ASP 31 Ca -0.10 -1.38 -0.02 0.00 -0.52 0.00 0.00 52.55 50.53 1y0b s ASP 31 Cb -0.16 -2.32 0.41 0.00 -1.46 0.00 0.00 42.92 39.40 1y0b s ASP 31 CO 0.06 -1.16 1.89 -0.65 0.52 0.00 0.00 175.17 175.82 1y0b h PRO 32 N 9.24 0.96 -0.34 4.34 0.11 -1.98 -2.76 132.00 141.56 1y0b h PRO 32 Ca -0.29 -0.13 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 1y0b h PRO 32 Cb 1.08 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1y0b h PRO 32 CO 1.11 0.74 0.04 1.25 -0.21 0.00 0.00 178.00 180.94 1y0b h LEU 33 N 0.95 0.55 -1.92 2.35 5.85 -2.00 -0.28 115.31 120.82 1y0b h LEU 33 Ca 0.23 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1y0b h LEU 33 Cb 0.11 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1y0b h LEU 33 CO -0.03 0.69 0.00 -0.11 -0.34 0.00 0.00 178.44 178.65 1y0b n LEU 34 N -4.57 0.03 0.00 2.25 7.94 -1.04 -1.56 117.00 120.05 1y0b n LEU 34 Ca -0.02 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 1y0b n LEU 34 Cb 0.24 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.18 1y0b n LEU 34 CO 0.39 0.00 0.00 1.67 -1.11 0.00 0.00 177.39 178.34 1y0b n GLN 36 N 0.95 0.00 -0.22 1.96 7.27 -0.12 -0.75 117.38 126.48 1y0b n GLN 36 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 57.00 57.01 1y0b n GLN 36 Cb 0.00 0.00 0.04 0.00 2.41 0.00 0.00 30.24 32.69 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 0.81 -0.22 3.69 3.08 -1.56 0.09 114.38 120.28 1y0b h ARG 37 Ca 0.00 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1y0b h ARG 37 Cb 0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1y0b h ARG 37 CO 0.00 0.54 0.09 0.82 -1.07 0.00 0.00 179.97 180.35 1y0b h ILE 38 N 0.84 0.97 -0.76 2.04 2.04 -1.21 -1.76 117.51 119.67 1y0b h ILE 38 Ca 0.23 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.02 1y0b h ILE 38 Cb -0.09 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 1y0b h ILE 38 CO -0.05 0.04 0.49 1.23 0.00 0.00 0.00 178.15 179.86 1y0b h GLY 39 N 0.20 1.07 1.43 5.37 0.00 -1.71 -1.61 103.07 107.81 1y0b h GLY 39 Ca 0.09 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 1y0b h GLY 39 CO -0.08 0.40 0.13 -0.55 0.00 0.00 0.00 176.54 176.44 1y0b h ASP 40 N 1.03 0.67 -0.14 0.19 5.19 -0.83 -0.13 116.42 122.40 1y0b h ASP 40 Ca 0.28 -0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.54 1y0b h ASP 40 Cb -0.10 -0.17 -0.00 0.00 0.18 0.00 0.00 39.33 39.23 1y0b h ASP 40 CO -0.06 0.66 -0.07 -0.08 -3.12 0.00 0.00 179.24 176.57 1y0b h GLU 41 N 0.70 0.29 -0.51 3.56 4.57 -0.76 -0.61 114.58 121.83 1y0b h GLU 41 Ca 0.16 -0.13 0.04 0.00 -1.18 0.00 0.00 59.36 58.26 1y0b h GLU 41 Cb 0.25 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 1y0b h GLU 41 CO -0.00 0.62 0.26 0.74 -1.18 0.00 0.00 179.01 179.44 1y0b h PHE 42 N -0.05 0.47 -0.82 0.92 0.05 -1.16 -1.57 116.94 114.78 1y0b h PHE 42 Ca 0.03 0.02 0.03 0.00 3.82 0.00 0.00 57.97 61.87 1y0b h PHE 42 Cb 0.54 -0.14 -0.05 0.00 2.00 0.00 0.00 35.95 38.30 1y0b h PHE 42 CO 0.07 0.23 0.53 0.00 -0.18 0.00 0.00 178.31 178.96 1y0b h ALA 43 N 1.28 1.08 -0.79 2.45 0.00 -0.95 -2.24 119.26 120.08 1y0b h ALA 43 Ca 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1y0b h ALA 43 Cb 0.13 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1y0b h ALA 43 CO -0.16 0.37 0.40 1.03 0.00 0.00 0.00 179.25 180.89 1y0b h SER 44 N 1.04 1.02 0.64 0.00 0.87 -0.48 0.67 113.55 117.31 1y0b h SER 44 Ca 0.33 -0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.70 1y0b h SER 44 Cb -0.01 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 1y0b h SER 44 CO -0.11 0.85 -0.33 0.03 -0.53 0.00 0.00 176.83 176.74 1y0b h ARG 45 N 1.11 0.00 -0.15 2.24 3.08 -0.87 -3.13 114.38 116.66 1y0b h ARG 45 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1y0b h ARG 45 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1y0b h ARG 45 CO -0.04 0.33 0.00 1.19 -1.07 0.00 0.00 179.97 180.38 1y0b n PHE 46 N -3.68 0.48 0.29 3.04 3.01 -0.88 -4.74 117.46 114.98 1y0b n PHE 46 Ca -0.01 -0.87 0.16 0.00 1.01 0.00 0.00 57.45 57.75 1y0b n PHE 46 Cb 0.43 -0.21 0.88 0.00 -0.01 0.00 0.00 39.48 40.58 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 1.01 1.20 -0.23 4.37 0.00 -0.81 -2.84 119.26 121.96 1y0b h ALA 47 Ca 0.00 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1y0b h ALA 47 Cb 1.15 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 1y0b h ALA 47 CO 0.10 0.07 -0.35 1.63 0.00 0.00 0.00 179.25 180.70 1y0b n LYS 48 N -3.44 1.90 0.00 0.00 5.02 -1.26 -4.63 118.16 115.75 1y0b n LYS 48 Ca -0.02 -3.35 0.05 0.00 -2.02 0.00 0.00 58.31 52.96 1y0b n LYS 48 Cb 0.18 -1.77 0.03 0.00 -0.02 0.00 0.00 35.03 33.45 1y0b n LYS 48 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1y0b n ASP 49 N -1.08 1.67 -3.40 4.39 8.00 -1.07 -5.00 116.55 120.05 1y0b n ASP 49 Ca 0.28 -1.33 -0.21 0.00 0.71 0.00 0.00 54.79 54.24 1y0b n ASP 49 Cb 0.85 0.11 0.08 0.00 -0.02 0.00 0.00 41.12 42.14 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 0.62 -0.42 3.74 0.44 0.00 -1.26 -4.95 105.19 103.36 1y0b n GLY 50 Ca 0.05 0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.32 2.54 -0.08 -0.61 -1.09 -1.26 -4.72 121.20 112.67 1y0b s ILE 51 Ca 0.38 0.44 0.11 0.00 -2.23 0.00 0.00 60.65 59.35 1y0b s ILE 51 Cb -0.17 -3.28 -0.17 0.00 -1.58 0.00 0.00 42.46 37.26 1y0b s ILE 51 CO 0.69 0.06 0.28 0.35 -1.23 0.00 0.00 174.94 175.09 1y0b n THR 52 N 2.76 0.00 -3.55 2.92 -2.24 -0.61 -4.95 114.28 108.61 1y0b n THR 52 Ca 0.09 -0.26 -0.15 0.00 -2.27 0.00 0.00 64.05 61.46 1y0b n THR 52 Cb 0.39 0.33 -0.06 0.00 -2.10 0.00 0.00 70.33 68.89 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 -2.70 0.91 -0.08 -0.78 2.20 -1.23 -4.25 119.74 113.80 1y0b s LYS 53 Ca -0.03 0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.94 1y0b s LYS 53 Cb 0.07 0.43 -0.03 0.00 -1.51 0.00 0.00 37.83 36.80 1y0b s LYS 53 CO 0.47 -0.26 -0.10 0.42 -0.36 0.00 0.00 175.35 175.52 1y0b s ILE 54 N -0.90 3.37 -0.09 5.43 1.01 -0.35 -1.26 121.20 128.41 1y0b s ILE 54 Ca -0.07 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1y0b s ILE 54 Cb -0.01 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.07 1y0b s ILE 54 CO 0.06 0.57 -0.18 -0.69 0.00 0.00 0.00 174.94 174.70 1y0b s VAL 55 N -0.44 2.63 0.00 2.92 1.01 -0.54 -0.35 120.40 125.63 1y0b s VAL 55 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1y0b s VAL 55 Cb -0.12 -2.04 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1y0b s VAL 55 CO 0.02 0.56 0.00 1.07 0.00 0.00 0.00 175.10 176.75 1y0b n THR 56 N 3.09 0.00 -3.91 3.92 5.66 0.08 -1.26 114.28 121.86 1y0b n THR 56 Ca -0.18 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.69 1y0b n THR 56 Cb 0.52 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.16 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 -1.70 0.07 0.63 1.09 2.07 -1.26 -0.64 121.20 121.45 1y0b s ILE 57 Ca 0.00 -0.02 -0.19 0.00 -1.41 0.00 0.00 60.65 59.03 1y0b s ILE 57 Cb 0.00 -0.08 -0.02 0.00 0.13 0.00 0.00 42.46 42.50 1y0b s ILE 57 CO 0.00 0.03 1.30 -1.84 -1.91 0.00 0.00 174.94 172.51 1y0b n GLU 58 N 3.14 1.23 -0.06 3.50 0.28 -0.86 -3.38 120.64 124.50 1y0b n GLU 58 Ca -0.13 0.47 -0.07 0.00 -0.16 0.00 0.00 57.16 57.27 1y0b n GLU 58 Cb 0.59 -2.53 -0.06 0.00 1.43 0.00 0.00 31.44 30.87 1y0b n GLU 58 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1y0b n SER 59 N -1.68 2.91 0.23 -1.84 7.64 -1.26 -4.79 113.62 114.84 1y0b n SER 59 Ca 0.15 -0.04 0.11 0.00 1.01 0.00 0.00 58.87 60.09 1y0b n SER 59 Cb 0.47 0.13 0.56 0.00 -1.01 0.00 0.00 64.21 64.36 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 0.94 6.43 0.02 -1.90 -2.64 113.55 116.40 1y0b h SER 60 Ca -0.27 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 1y0b h SER 60 Cb 1.48 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.02 1y0b h SER 60 CO -0.02 0.20 -0.10 1.23 -1.14 0.00 0.00 176.83 177.00 1y0b h GLY 61 N 1.57 0.00 0.95 -3.77 0.00 -1.86 -3.36 103.07 96.59 1y0b h GLY 61 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1y0b h GLY 61 CO 0.03 0.00 -0.10 -2.22 0.00 0.00 0.00 176.54 174.25 1y0b h ILE 62 N 0.00 0.79 0.30 2.60 2.04 -1.63 -1.94 117.51 119.67 1y0b h ILE 62 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1y0b h ILE 62 Cb 0.60 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1y0b h ILE 62 CO 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 178.15 177.98 1y0b h ALA 63 N 0.59 -0.45 -0.15 1.87 0.00 -1.77 0.11 119.26 119.46 1y0b h ALA 63 Ca -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1y0b h ALA 63 Cb 0.21 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1y0b h ALA 63 CO 0.01 -0.76 -0.13 -1.00 0.00 0.00 0.00 179.25 177.37 1y0b h PRO 64 N -0.46 0.23 -0.36 0.00 0.13 -1.78 -2.94 132.00 126.82 1y0b h PRO 64 Ca -0.03 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.00 1y0b h PRO 64 Cb 0.38 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 1y0b h PRO 64 CO 0.03 0.37 0.05 0.00 -0.23 0.00 0.00 178.00 178.22 1y0b h ALA 65 N 1.65 0.48 0.00 -0.56 0.00 -0.96 -1.98 119.26 117.88 1y0b h ALA 65 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1y0b h ALA 65 Cb 0.37 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1y0b h ALA 65 CO 0.02 0.19 0.00 0.28 0.00 0.00 0.00 179.25 179.75 1y0b n VAL 66 N -4.55 0.46 0.00 0.00 0.31 0.34 -0.87 118.33 114.02 1y0b n VAL 66 Ca -0.01 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1y0b n VAL 66 Cb 0.24 -0.76 0.00 0.00 -0.91 0.00 0.00 33.84 32.40 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 0.90 0.00 -0.14 2.52 -1.04 -0.75 -0.93 114.28 114.83 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 0.21 0.00 0.25 0.00 -1.82 0.00 0.00 70.33 68.97 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 0.91 0.96 3.41 0.00 -1.25 -0.48 103.07 106.62 1y0b h GLY 69 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1y0b h GLY 69 CO 0.00 0.39 -0.01 -2.00 0.00 0.00 0.00 176.54 174.92 1y0b h LEU 70 N 0.85 -0.04 -0.42 3.11 5.85 -1.26 0.12 115.31 123.53 1y0b h LEU 70 Ca 0.21 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.82 1y0b h LEU 70 Cb 0.06 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1y0b h LEU 70 CO -0.03 -0.02 -0.21 0.50 -0.34 0.00 0.00 178.44 178.34 1y0b h LYS 71 N -0.03 0.88 0.00 1.25 1.63 -1.75 -2.99 116.57 115.56 1y0b h LYS 71 Ca 0.01 -0.39 0.00 0.00 -0.85 0.00 0.00 60.65 59.42 1y0b h LYS 71 Cb 0.03 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1y0b h LYS 71 CO -0.01 1.03 0.00 -0.07 -3.45 0.00 0.00 179.45 176.95 1y0b h LEU 72 N 0.70 0.00 -1.07 5.20 3.38 -1.08 -3.48 115.31 118.97 1y0b h LEU 72 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1y0b h LEU 72 Cb 0.77 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.55 1y0b h LEU 72 CO 0.06 0.00 -0.15 0.61 0.09 0.00 0.00 178.44 179.05 1y0b n GLY 73 N 0.76 0.59 3.16 0.83 0.00 0.26 -5.07 105.19 105.72 1y0b n GLY 73 Ca 0.03 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.07 1.02 0.77 1.61 -7.23 -0.25 -5.04 120.40 108.21 1y0b s VAL 74 Ca 0.12 -1.34 -0.11 0.00 -1.81 0.00 0.00 61.98 58.84 1y0b s VAL 74 Cb -0.05 -1.06 0.05 0.00 0.56 0.00 0.00 36.38 35.88 1y0b s VAL 74 CO 0.16 -0.30 1.09 -2.16 -0.31 0.00 0.00 175.10 173.59 1y0b s PRO 75 N -1.89 2.28 -0.09 4.82 0.04 -1.26 -4.46 135.00 134.43 1y0b s PRO 75 Ca -0.02 1.19 0.03 0.00 0.04 0.00 0.00 61.00 62.23 1y0b s PRO 75 Cb -0.09 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1y0b s PRO 75 CO 0.02 -1.63 -0.17 0.08 0.04 0.00 0.00 177.00 175.34 1y0b s VAL 76 N -2.87 1.56 -0.18 -0.36 1.01 -1.26 -1.21 120.40 117.10 1y0b s VAL 76 Ca 0.62 -0.71 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 1y0b s VAL 76 Cb -0.17 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 1y0b s VAL 76 CO 0.55 0.45 -0.10 -0.69 0.00 0.00 0.00 175.10 175.31 1y0b s VAL 77 N 0.70 3.02 -0.20 2.92 1.01 0.52 -4.97 120.40 123.39 1y0b s VAL 77 Ca -0.13 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 1y0b s VAL 77 Cb -0.16 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1y0b s VAL 77 CO 0.03 0.48 0.06 0.72 0.00 0.00 0.00 175.10 176.39 1y0b s PHE 78 N 1.02 3.18 0.54 5.22 -0.12 -1.26 -0.75 117.98 125.82 1y0b s PHE 78 Ca -0.01 -0.09 -0.21 0.00 -0.05 0.00 0.00 56.93 56.58 1y0b s PHE 78 Cb -0.15 -2.12 -0.05 0.00 -0.63 0.00 0.00 43.02 40.08 1y0b s PHE 78 CO -0.02 -0.01 1.23 0.00 -0.05 0.00 0.00 175.22 176.38 1y0b s ALA 79 N 0.74 2.74 -0.09 1.99 0.00 0.18 -4.80 121.76 122.53 1y0b s ALA 79 Ca 0.03 1.07 -0.03 0.00 0.00 0.00 0.00 51.96 53.03 1y0b s ALA 79 Cb -0.13 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1y0b s ALA 79 CO 0.02 -1.07 0.03 1.03 0.00 0.00 0.00 175.76 175.77 1y0b s ARG 80 N -3.05 3.06 0.02 0.00 1.81 -0.21 -2.02 118.95 118.57 1y0b s ARG 80 Ca 0.72 -0.36 0.22 0.00 -1.72 0.00 0.00 55.73 54.59 1y0b s ARG 80 Cb -0.32 -2.87 -0.22 0.00 -0.45 0.00 0.00 34.95 31.09 1y0b s ARG 80 CO 0.37 0.71 0.70 1.63 -0.68 0.00 0.00 175.30 178.03 1y0b n LYS 81 N 2.04 0.52 -4.26 3.54 5.02 -1.26 -1.41 118.16 122.35 1y0b n LYS 81 Ca -0.18 -0.10 -0.14 0.00 -2.02 0.00 0.00 58.31 55.86 1y0b n LYS 81 Cb 0.54 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 33.87 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 -3.39 1.29 0.24 2.13 3.76 -1.26 -4.83 115.29 113.23 1y0b s HIS 82 Ca -0.03 -1.04 -0.31 0.00 -0.15 0.00 0.00 55.06 53.53 1y0b s HIS 82 Cb 0.14 -0.74 -0.11 0.00 1.11 0.00 0.00 32.58 32.98 1y0b s HIS 82 CO 0.87 -0.22 1.63 0.15 -0.85 0.00 0.00 174.74 176.32 1y0b s LYS 83 N -3.93 4.15 0.10 1.40 1.02 -1.26 -5.02 119.74 116.20 1y0b s LYS 83 Ca 0.27 2.54 0.07 0.00 0.02 0.00 0.00 55.97 58.86 1y0b s LYS 83 Cb 0.06 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 1y0b s LYS 83 CO 0.06 -0.66 -0.11 0.45 -0.92 0.00 0.00 175.35 174.17 1y0b s SER 84 N 0.84 4.30 0.32 2.83 0.15 -1.26 -5.04 113.70 115.85 1y0b s SER 84 Ca 0.68 -0.41 0.09 0.00 0.70 0.00 0.00 55.95 57.02 1y0b s SER 84 Cb -0.47 -0.79 0.86 0.00 -1.71 0.00 0.00 66.02 63.91 1y0b s SER 84 CO 0.39 0.18 1.75 0.25 1.20 0.00 0.00 173.24 177.01 1y0b h LEU 85 N 3.69 0.69 -0.58 3.45 5.85 -2.08 -2.94 115.31 123.40 1y0b h LEU 85 Ca -0.49 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1y0b h LEU 85 Cb 1.17 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1y0b h LEU 85 CO 0.51 0.15 -0.11 0.35 -0.34 0.00 0.00 178.44 179.00 1y0b n THR 86 N -4.83 0.00 -2.50 1.05 -2.24 -1.26 -4.91 114.28 99.59 1y0b n THR 86 Ca 0.26 -0.45 -0.40 0.00 -2.27 0.00 0.00 64.05 61.19 1y0b n THR 86 Cb 0.71 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.96 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 -1.33 3.27 0.00 3.22 2.96 -1.11 -4.52 118.68 121.17 1y0b s LEU 87 Ca 0.04 -0.71 0.00 0.00 -0.22 0.00 0.00 54.13 53.23 1y0b s LEU 87 Cb 0.04 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.17 1y0b s LEU 87 CO 0.12 -1.80 0.00 1.07 -1.32 0.00 0.00 176.35 174.42 1y0b n THR 88 N 6.64 0.00 -4.05 3.68 5.66 -1.26 -4.62 114.28 120.33 1y0b n THR 88 Ca 0.14 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.79 1y0b n THR 88 Cb 0.50 0.26 -0.09 0.00 -1.55 0.00 0.00 70.33 69.45 1y0b n THR 88 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1y0b s ASP 89 N 0.00 5.71 -1.38 1.09 -4.77 -1.26 -4.62 116.67 111.43 1y0b s ASP 89 Ca 0.00 0.17 -0.07 0.00 -3.30 0.00 0.00 52.55 49.35 1y0b s ASP 89 Cb 0.00 -1.89 0.04 0.00 -1.09 0.00 0.00 42.92 39.98 1y0b s ASP 89 CO 0.00 0.26 0.49 0.59 0.70 0.00 0.00 175.17 177.21 1y0b n ASN 90 N 2.98 -4.73 -4.68 2.11 5.03 -1.26 -4.01 115.26 110.70 1y0b n ASN 90 Ca -0.18 -0.30 -0.42 0.00 0.87 0.00 0.00 54.58 54.55 1y0b n ASN 90 Cb 0.53 -3.87 -0.03 0.00 -1.02 0.00 0.00 39.78 35.39 1y0b n ASN 90 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1y0b s LEU 91 N -6.50 4.35 -0.24 3.41 1.43 -1.26 0.07 118.68 119.94 1y0b s LEU 91 Ca 0.33 2.36 -0.08 0.00 -1.03 0.00 0.00 54.13 55.71 1y0b s LEU 91 Cb -0.16 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 1y0b s LEU 91 CO 0.40 -0.90 0.10 -0.76 0.23 0.00 0.00 176.35 175.42 1y0b s LEU 92 N 3.27 3.68 0.22 1.79 1.43 0.12 -4.89 118.68 124.31 1y0b s LEU 92 Ca 0.74 -0.08 0.11 0.00 -1.03 0.00 0.00 54.13 53.86 1y0b s LEU 92 Cb -0.37 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 1y0b s LEU 92 CO 0.31 0.02 -0.16 0.42 0.23 0.00 0.00 176.35 177.18 1y0b s THR 93 N 1.29 2.78 -0.00 5.49 -4.23 -1.26 -1.07 115.64 118.64 1y0b s THR 93 Ca 0.05 -2.01 -0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1y0b s THR 93 Cb -0.15 -2.40 -0.01 0.00 1.34 0.00 0.00 72.50 71.29 1y0b s THR 93 CO 0.04 -0.23 0.04 0.00 -0.54 0.00 0.00 174.62 173.94 1y0b s ALA 94 N -2.00 -0.08 -0.00 3.99 0.00 -0.64 -4.81 121.76 118.22 1y0b s ALA 94 Ca 0.26 -0.19 -0.20 0.00 0.00 0.00 0.00 51.96 51.82 1y0b s ALA 94 Cb -0.07 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 1y0b s ALA 94 CO 0.14 -0.12 0.58 0.45 0.00 0.00 0.00 175.76 176.81 1y0b s SER 95 N -0.85 6.96 -0.20 0.00 0.15 -1.26 -1.41 113.70 117.09 1y0b s SER 95 Ca -0.09 1.14 0.01 0.00 0.70 0.00 0.00 55.95 57.71 1y0b s SER 95 Cb -0.06 -2.36 0.04 0.00 -1.71 0.00 0.00 66.02 61.93 1y0b s SER 95 CO -0.00 0.12 -0.14 -0.69 1.20 0.00 0.00 173.24 173.73 1y0b s VAL 96 N -0.25 1.88 0.15 4.45 1.01 0.10 -4.74 120.40 123.01 1y0b s VAL 96 Ca 0.30 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 1y0b s VAL 96 Cb -0.18 -1.85 -0.07 0.00 0.00 0.00 0.00 36.38 34.27 1y0b s VAL 96 CO 0.17 0.28 0.64 -0.47 0.00 0.00 0.00 175.10 175.72 1y0b s TYR 97 N 1.31 3.71 -0.29 5.22 5.04 -1.26 -0.71 117.35 130.36 1y0b s TYR 97 Ca -0.00 1.29 -0.07 0.00 -2.44 0.00 0.00 57.07 55.84 1y0b s TYR 97 Cb -0.16 -2.53 -0.00 0.00 0.35 0.00 0.00 41.96 39.62 1y0b s TYR 97 CO -0.09 0.45 0.09 0.45 -1.34 0.00 0.00 175.55 175.11 1y0b s SER 98 N -1.47 5.21 0.23 4.32 0.15 0.12 -4.76 113.70 117.50 1y0b s SER 98 Ca 0.37 -0.58 -0.00 0.00 0.70 0.00 0.00 55.95 56.44 1y0b s SER 98 Cb -0.18 -1.91 0.24 0.00 -1.71 0.00 0.00 66.02 62.46 1y0b s SER 98 CO 0.20 -0.16 1.60 -0.26 1.20 0.00 0.00 173.24 175.82 1y0b h PHE 99 N 8.26 0.61 -0.24 3.44 -1.00 -1.97 0.27 116.94 126.31 1y0b h PHE 99 Ca -0.33 -0.18 -0.15 0.00 2.81 0.00 0.00 57.97 60.13 1y0b h PHE 99 Cb 1.14 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 40.56 1y0b h PHE 99 CO 0.63 0.85 -0.45 1.15 -1.61 0.00 0.00 178.31 178.87 1y0b h THR 100 N 0.42 1.30 -0.06 -1.55 2.02 -1.97 -3.28 112.91 109.79 1y0b h THR 100 Ca 0.03 -1.65 0.00 0.00 0.77 0.00 0.00 66.41 65.56 1y0b h THR 100 Cb 0.91 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1y0b h THR 100 CO 0.08 0.52 0.00 2.29 0.37 0.00 0.00 175.52 178.78 1y0b n LYS 101 N -4.01 1.38 -4.03 6.66 2.85 -1.24 -5.03 118.16 114.74 1y0b n LYS 101 Ca -0.02 -1.23 -0.27 0.00 -1.05 0.00 0.00 58.31 55.74 1y0b n LYS 101 Cb 0.55 -1.07 -0.03 0.00 -0.65 0.00 0.00 35.03 33.83 1y0b n LYS 101 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1y0b n GLN 102 N -0.02 -3.01 -4.31 -1.58 6.02 0.92 -4.98 117.38 110.43 1y0b n GLN 102 Ca 0.03 0.36 -0.16 0.00 -0.01 0.00 0.00 57.00 57.22 1y0b n GLN 102 Cb 0.20 -4.50 -0.10 0.00 1.02 0.00 0.00 30.24 26.87 1y0b n GLN 102 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1y0b s THR 103 N -3.92 1.04 0.05 5.09 -4.23 -1.15 -4.95 115.64 107.57 1y0b s THR 103 Ca 0.10 -2.04 0.07 0.00 -1.18 0.00 0.00 61.69 58.65 1y0b s THR 103 Cb -0.06 -2.22 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 1y0b s THR 103 CO 0.91 -0.43 -0.20 -0.70 -0.54 0.00 0.00 174.62 173.66 1y0b s GLU 104 N -3.84 1.32 0.19 3.99 2.12 -1.26 0.16 118.70 121.38 1y0b s GLU 104 Ca 0.25 -0.94 0.02 0.00 0.36 0.00 0.00 54.97 54.66 1y0b s GLU 104 Cb 0.05 -1.44 -0.05 0.00 0.26 0.00 0.00 34.13 32.95 1y0b s GLU 104 CO 0.07 0.36 0.02 -1.54 -0.54 0.00 0.00 175.26 173.63 1y0b s SER 105 N -1.24 1.24 -0.12 -1.70 1.04 0.11 -4.96 113.70 108.08 1y0b s SER 105 Ca 0.07 -1.22 -0.01 0.00 0.48 0.00 0.00 55.95 55.27 1y0b s SER 105 Cb -0.09 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.13 1y0b s SER 105 CO 0.02 -0.60 -0.09 -1.58 0.98 0.00 0.00 173.24 171.98 1y0b s GLN 106 N -3.94 3.24 0.20 4.02 2.00 -1.26 0.02 119.66 123.94 1y0b s GLN 106 Ca 0.27 -0.60 0.10 0.00 -2.00 0.00 0.00 55.36 53.13 1y0b s GLN 106 Cb 0.06 -2.69 -0.04 0.00 0.80 0.00 0.00 33.01 31.14 1y0b s GLN 106 CO 0.06 0.38 -0.14 0.96 -0.50 0.00 0.00 175.29 176.04 1y0b s ILE 107 N -0.04 2.88 -0.02 -2.34 -4.36 -0.50 -4.65 121.20 112.17 1y0b s ILE 107 Ca -0.01 -1.87 -0.04 0.00 -0.26 0.00 0.00 60.65 58.47 1y0b s ILE 107 Cb -0.14 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.14 1y0b s ILE 107 CO 0.03 -0.16 0.10 0.00 0.24 0.00 0.00 174.94 175.15 1y0b s ALA 108 N -1.83 -0.23 -0.01 2.27 0.00 -0.50 -1.62 121.76 119.84 1y0b s ALA 108 Ca 0.25 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.25 1y0b s ALA 108 Cb -0.08 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.00 1y0b s ALA 108 CO 0.14 -0.12 -0.01 0.08 0.00 0.00 0.00 175.76 175.85 1y0b s VAL 109 N -0.61 0.14 0.04 0.00 1.01 -0.23 -1.05 120.40 119.70 1y0b s VAL 109 Ca -0.07 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1y0b s VAL 109 Cb -0.04 -0.15 -0.06 0.00 0.00 0.00 0.00 36.38 36.13 1y0b s VAL 109 CO 0.00 0.06 1.30 -0.55 0.00 0.00 0.00 175.10 175.92 1y0b s SER 110 N 0.22 6.95 0.26 3.32 0.15 -1.26 0.16 113.70 123.50 1y0b s SER 110 Ca -0.02 2.08 0.21 0.00 0.70 0.00 0.00 55.95 58.92 1y0b s SER 110 Cb -0.04 -2.57 0.99 0.00 -1.71 0.00 0.00 66.02 62.69 1y0b s SER 110 CO -0.01 -0.60 1.63 0.61 1.20 0.00 0.00 173.24 176.07 1y0b n GLY 111 N 3.43 -1.01 0.24 9.45 0.00 0.11 -2.18 105.19 115.24 1y0b n GLY 111 Ca 0.11 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 0.92 -0.62 2.61 2.02 -1.81 -2.66 112.91 113.37 1y0b h THR 112 Ca 0.00 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.59 1y0b h THR 112 Cb 0.15 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1y0b h THR 112 CO 0.00 0.16 0.00 1.41 0.37 0.00 0.00 175.52 177.46 1y0b n HIS 113 N -4.07 1.16 -3.70 3.16 -0.00 -0.93 -4.85 115.22 106.00 1y0b n HIS 113 Ca -0.02 -0.57 -0.23 0.00 -0.00 0.00 0.00 57.72 56.90 1y0b n HIS 113 Cb 0.24 -0.14 -0.18 0.00 -0.00 0.00 0.00 29.99 29.91 1y0b n HIS 113 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 1y0b s LEU 114 N -1.51 0.42 0.11 2.41 2.96 -1.00 -5.00 118.68 117.06 1y0b s LEU 114 Ca 0.47 -0.15 0.05 0.00 -0.22 0.00 0.00 54.13 54.27 1y0b s LEU 114 Cb 0.28 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 46.63 1y0b s LEU 114 CO 0.26 -0.25 0.03 -0.55 -1.32 0.00 0.00 176.35 174.52 1y0b s SER 115 N 2.07 5.15 0.00 3.68 0.15 -1.26 -4.87 113.70 118.62 1y0b s SER 115 Ca 0.04 -0.17 0.07 0.00 0.70 0.00 0.00 55.95 56.59 1y0b s SER 115 Cb -0.13 -1.26 0.32 0.00 -1.71 0.00 0.00 66.02 63.24 1y0b s SER 115 CO -0.05 0.15 1.24 -0.90 1.20 0.00 0.00 173.24 174.87 1y0b n ASP 116 N 0.33 0.00 -0.04 5.45 3.85 -1.18 -1.03 116.55 123.92 1y0b n ASP 116 Ca -0.10 0.49 0.12 0.00 -0.71 0.00 0.00 54.79 54.60 1y0b n ASP 116 Cb 0.53 -0.50 0.30 0.00 -1.35 0.00 0.00 41.12 40.10 1y0b n ASP 116 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1y0b n GLN 117 N -1.50 0.15 -2.38 0.11 1.13 -1.26 -4.42 117.38 109.22 1y0b n GLN 117 Ca 0.02 -0.08 -0.38 0.00 -1.94 0.00 0.00 57.00 54.62 1y0b n GLN 117 Cb 0.09 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.91 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 -2.91 6.63 -0.29 1.08 1.01 -0.20 -4.98 116.67 117.03 1y0b s ASP 118 Ca 0.14 2.25 0.02 0.00 0.71 0.00 0.00 52.55 55.67 1y0b s ASP 118 Cb 0.18 -2.61 0.08 0.00 1.01 0.00 0.00 42.92 41.58 1y0b s ASP 118 CO 0.66 -0.59 0.01 -2.28 0.21 0.00 0.00 175.17 173.17 1y0b s HIS 119 N -1.46 2.75 -0.17 4.23 5.65 -1.26 -2.00 115.29 123.03 1y0b s HIS 119 Ca 0.56 -2.19 -0.09 0.00 0.25 0.00 0.00 55.06 53.60 1y0b s HIS 119 Cb -0.28 -2.06 -0.05 0.00 -1.18 0.00 0.00 32.58 29.01 1y0b s HIS 119 CO 0.36 -0.86 0.13 0.08 -0.65 0.00 0.00 174.74 173.79 1y0b s VAL 120 N 1.26 5.40 -0.29 0.89 1.01 0.71 -1.57 120.40 127.80 1y0b s VAL 120 Ca 0.03 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 1y0b s VAL 120 Cb -0.19 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 1y0b s VAL 120 CO -0.11 0.51 0.21 -0.22 0.00 0.00 0.00 175.10 175.49 1y0b s LEU 121 N -0.15 4.14 -0.03 3.92 2.96 -0.39 -0.19 118.68 128.93 1y0b s LEU 121 Ca 0.10 -0.09 -0.23 0.00 -0.22 0.00 0.00 54.13 53.69 1y0b s LEU 121 Cb -0.11 -2.14 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 1y0b s LEU 121 CO 0.00 -0.10 0.67 -0.63 -1.32 0.00 0.00 176.35 174.98 1y0b s ILE 122 N 1.76 4.96 -0.05 6.68 1.01 -0.63 -1.47 121.20 133.47 1y0b s ILE 122 Ca 0.07 1.40 0.05 0.00 0.00 0.00 0.00 60.65 62.17 1y0b s ILE 122 Cb -0.16 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.29 1y0b s ILE 122 CO 0.11 0.32 -0.22 -0.63 0.00 0.00 0.00 174.94 174.52 1y0b s ILE 123 N 0.36 1.79 0.10 2.92 -1.09 -0.39 0.07 121.20 124.97 1y0b s ILE 123 Ca 0.35 -0.92 -0.09 0.00 -2.23 0.00 0.00 60.65 57.76 1y0b s ILE 123 Cb -0.18 -1.52 -0.00 0.00 -1.58 0.00 0.00 42.46 39.18 1y0b s ILE 123 CO 0.18 0.50 0.21 -0.62 -1.23 0.00 0.00 174.94 173.99 1y0b s ASP 124 N -0.11 0.10 -0.13 3.58 -1.08 -0.44 -4.33 116.67 114.26 1y0b s ASP 124 Ca -0.03 -0.69 -0.24 0.00 -0.52 0.00 0.00 52.55 51.08 1y0b s ASP 124 Cb -0.12 0.36 -0.21 0.00 -1.46 0.00 0.00 42.92 41.48 1y0b s ASP 124 CO 0.03 -0.76 0.67 -2.24 0.52 0.00 0.00 175.17 173.38 1y0b h ASP 125 N 2.71 -0.01 -4.19 -0.34 2.03 -1.87 -2.48 116.42 112.28 1y0b h ASP 125 Ca -0.34 -0.79 -0.69 0.00 -0.73 0.00 0.00 57.03 54.48 1y0b h ASP 125 Cb 1.21 0.00 -0.25 0.00 -0.83 0.00 0.00 39.33 39.46 1y0b h ASP 125 CO 0.55 0.87 -0.82 -0.36 -1.03 0.00 0.00 179.24 178.45 1y0b s PHE 126 N -2.24 2.54 -0.22 4.15 0.08 -1.26 -0.49 117.98 120.54 1y0b s PHE 126 Ca -0.16 -0.27 0.00 0.00 0.12 0.00 0.00 56.93 56.62 1y0b s PHE 126 Cb -0.02 -1.54 0.03 0.00 -0.57 0.00 0.00 43.02 40.92 1y0b s PHE 126 CO 0.57 0.14 -0.12 -1.17 -0.10 0.00 0.00 175.22 174.54 1y0b s LEU 127 N -0.91 2.85 0.00 -0.37 2.96 -0.12 -4.97 118.68 118.12 1y0b s LEU 127 Ca 0.12 -0.86 0.00 0.00 -0.22 0.00 0.00 54.13 53.17 1y0b s LEU 127 Cb -0.10 -1.58 0.00 0.00 0.50 0.00 0.00 46.19 45.00 1y0b s LEU 127 CO 0.01 -0.09 0.00 0.00 -1.32 0.00 0.00 176.35 174.96 1y0b n ALA 128 N 4.61 0.89 0.66 5.97 0.00 -1.26 -0.50 120.51 130.89 1y0b n ALA 128 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.39 1y0b n ALA 128 Cb 0.47 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.24 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 0.69 0.00 0.00 3.02 -1.26 -1.13 115.26 116.58 1y0b n ASN 129 Ca 0.00 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.89 1y0b n ASN 129 Cb 0.00 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.84 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 1.35 0.77 0.26 7.41 0.00 -1.26 -3.81 105.19 109.90 1y0b n GLY 130 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.93 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 3.00 0.91 -0.70 1.61 1.08 -1.93 -1.20 115.11 117.89 1y0b h GLN 131 Ca 0.00 -0.50 -0.06 0.00 -1.45 0.00 0.00 58.65 56.64 1y0b h GLN 131 Cb 0.00 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 1y0b h GLN 131 CO 0.00 1.15 0.21 0.00 -0.95 0.00 0.00 178.83 179.24 1y0b h ALA 132 N 0.77 0.91 -0.31 3.87 0.00 -1.93 -0.28 119.26 122.29 1y0b h ALA 132 Ca 0.05 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1y0b h ALA 132 Cb 1.03 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1y0b h ALA 132 CO 0.10 0.60 0.16 0.00 0.00 0.00 0.00 179.25 180.12 1y0b h ALA 133 N 1.09 0.38 -0.77 0.00 0.00 -1.89 0.34 119.26 118.41 1y0b h ALA 133 Ca 0.22 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1y0b h ALA 133 Cb 0.32 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1y0b h ALA 133 CO -0.00 -0.22 0.51 0.45 0.00 0.00 0.00 179.25 179.98 1y0b h HIS 134 N 0.33 0.94 -0.48 0.00 -0.00 -0.95 -0.94 115.15 114.06 1y0b h HIS 134 Ca 0.13 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 1y0b h HIS 134 Cb 0.04 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.11 1y0b h HIS 134 CO -0.10 0.58 0.30 0.78 -0.00 0.00 0.00 177.93 179.49 1y0b h GLY 135 N 1.00 0.68 1.04 2.45 0.00 -0.31 -0.87 103.07 107.06 1y0b h GLY 135 Ca 0.29 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 1y0b h GLY 135 CO -0.07 0.26 -0.18 1.41 0.00 0.00 0.00 176.54 177.96 1y0b h LEU 136 N 0.64 0.90 -0.58 3.11 3.38 -0.52 -2.05 115.31 120.19 1y0b h LEU 136 Ca 0.17 -0.39 0.09 0.00 0.09 0.00 0.00 57.88 57.84 1y0b h LEU 136 Cb -0.04 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.39 1y0b h LEU 136 CO -0.03 1.09 0.19 0.58 0.09 0.00 0.00 178.44 180.35 1y0b h VAL 137 N 0.70 0.75 -0.50 1.22 2.07 -1.05 -1.44 116.25 118.00 1y0b h VAL 137 Ca 0.10 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 1y0b h VAL 137 Cb 0.74 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1y0b h VAL 137 CO 0.06 0.06 0.31 -1.28 0.02 0.00 0.00 177.57 176.74 1y0b h SER 138 N 0.35 0.59 -0.48 0.57 0.87 -0.87 -1.00 113.55 113.57 1y0b h SER 138 Ca 0.29 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.79 1y0b h SER 138 Cb 0.37 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1y0b h SER 138 CO -0.32 0.46 0.21 0.40 -0.53 0.00 0.00 176.83 177.05 1y0b h ILE 139 N 0.67 1.20 -0.45 2.23 2.04 -1.00 0.09 117.51 122.28 1y0b h ILE 139 Ca 0.18 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1y0b h ILE 139 Cb -0.03 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 1y0b h ILE 139 CO -0.04 0.23 0.29 0.58 0.00 0.00 0.00 178.15 179.21 1y0b h VAL 140 N 0.64 1.13 -0.82 1.67 2.07 -1.03 -2.42 116.25 117.48 1y0b h VAL 140 Ca 0.16 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1y0b h VAL 140 Cb 0.16 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1y0b h VAL 140 CO -0.02 0.13 0.40 0.11 0.02 0.00 0.00 177.57 178.21 1y0b h LYS 141 N 0.61 1.18 -0.39 1.57 1.57 -0.86 -2.36 116.57 117.88 1y0b h LYS 141 Ca 0.16 -0.17 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1y0b h LYS 141 Cb -0.04 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.03 1y0b h LYS 141 CO -0.03 0.91 0.26 1.96 -0.57 0.00 0.00 179.45 181.98 1y0b h GLN 142 N 1.17 0.35 0.00 3.15 4.20 -0.60 0.14 115.11 123.51 1y0b h GLN 142 Ca 0.28 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.97 1y0b h GLN 142 Cb 0.11 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1y0b h GLN 142 CO -0.04 0.23 0.00 0.00 -0.67 0.00 0.00 178.83 178.35 1y0b n ALA 143 N -2.51 2.39 -1.00 3.87 0.00 -0.94 -4.90 120.51 117.41 1y0b n ALA 143 Ca 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1y0b n ALA 143 Cb 0.20 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 1.16 0.58 3.91 0.00 0.00 0.49 -3.13 105.19 108.19 1y0b n GLY 144 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.33 3.18 0.18 4.61 0.00 -0.92 -4.62 121.76 121.86 1y0b s ALA 145 Ca 0.00 -0.63 0.05 0.00 0.00 0.00 0.00 51.96 51.38 1y0b s ALA 145 Cb 0.00 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 1y0b s ALA 145 CO 0.00 -0.94 0.17 -1.54 0.00 0.00 0.00 175.76 173.44 1y0b s SER 146 N -4.34 5.61 -0.24 0.00 1.04 -0.85 -4.28 113.70 110.63 1y0b s SER 146 Ca 0.56 -0.12 -0.06 0.00 0.48 0.00 0.00 55.95 56.80 1y0b s SER 146 Cb -0.11 -1.48 -0.02 0.00 0.10 0.00 0.00 66.02 64.51 1y0b s SER 146 CO 0.47 0.04 0.03 -0.63 0.98 0.00 0.00 173.24 174.13 1y0b s ILE 147 N -1.83 3.98 0.08 -1.02 1.01 -1.26 -0.21 121.20 121.95 1y0b s ILE 147 Ca 0.32 -0.31 0.09 0.00 0.00 0.00 0.00 60.65 60.74 1y0b s ILE 147 Cb -0.10 -2.86 -0.15 0.00 0.01 0.00 0.00 42.46 39.36 1y0b s ILE 147 CO 0.24 0.35 1.33 0.00 0.00 0.00 0.00 174.94 176.86 1y0b h ALA 148 N 8.20 0.44 0.00 9.38 0.00 -0.88 -3.47 119.26 132.93 1y0b h ALA 148 Ca -0.39 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.71 1y0b h ALA 148 Cb 1.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1y0b h ALA 148 CO 0.59 1.11 0.00 0.41 0.00 0.00 0.00 179.25 181.36 1y0b n GLY 149 N 1.26 -2.32 2.84 0.00 0.00 -1.24 -4.59 105.19 101.13 1y0b n GLY 149 Ca 0.00 -1.28 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.38 0.57 -0.20 -0.61 1.01 0.62 -1.61 121.20 118.61 1y0b s ILE 150 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.53 1y0b s ILE 150 Cb 0.00 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 1y0b s ILE 150 CO 0.00 0.28 0.07 -0.83 0.00 0.00 0.00 174.94 174.46 1y0b s GLY 151 N 1.62 1.89 -0.05 6.18 0.00 0.11 -0.22 107.32 116.84 1y0b s GLY 151 Ca 0.00 -0.83 0.05 0.00 0.00 0.00 0.00 44.72 43.94 1y0b s GLY 151 CO -0.04 0.17 -0.20 -0.42 0.00 0.00 0.00 173.10 172.61 1y0b s ILE 152 N 0.65 1.65 -0.05 0.90 -1.09 0.03 -1.33 121.20 121.96 1y0b s ILE 152 Ca 0.04 -0.83 -0.19 0.00 -2.23 0.00 0.00 60.65 57.44 1y0b s ILE 152 Cb -0.13 -1.41 -0.14 0.00 -1.58 0.00 0.00 42.46 39.20 1y0b s ILE 152 CO 0.02 0.47 0.78 0.58 -1.23 0.00 0.00 174.94 175.56 1y0b h VAL 153 N 5.30 0.70 -3.15 2.92 2.07 -1.19 -1.36 116.25 121.55 1y0b h VAL 153 Ca -0.31 -1.08 -0.57 0.00 0.82 0.00 0.00 66.70 65.57 1y0b h VAL 153 Cb 1.18 1.19 -0.36 0.00 -1.52 0.00 0.00 31.29 31.78 1y0b h VAL 153 CO 0.47 0.19 -0.82 -0.63 0.02 0.00 0.00 177.57 176.80 1y0b s ILE 154 N -3.26 1.31 -0.17 4.57 1.01 0.35 -1.44 121.20 123.56 1y0b s ILE 154 Ca -0.11 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 1y0b s ILE 154 Cb 0.00 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 1y0b s ILE 154 CO 0.42 0.41 -0.01 -0.70 0.00 0.00 0.00 174.94 175.06 1y0b s GLU 155 N 1.59 3.71 -0.73 2.79 2.12 0.22 -0.95 118.70 127.46 1y0b s GLU 155 Ca 0.05 -0.49 -0.20 0.00 0.36 0.00 0.00 54.97 54.69 1y0b s GLU 155 Cb -0.13 -3.01 0.11 0.00 0.26 0.00 0.00 34.13 31.35 1y0b s GLU 155 CO -0.10 0.18 0.92 0.15 -0.54 0.00 0.00 175.26 175.88 1y0b s LYS 156 N 0.55 3.26 0.38 4.30 1.02 0.35 0.47 119.74 130.07 1y0b s LYS 156 Ca -0.01 -1.34 0.28 0.00 0.02 0.00 0.00 55.97 54.92 1y0b s LYS 156 Cb -0.14 -4.45 1.10 0.00 -0.52 0.00 0.00 37.83 33.82 1y0b s LYS 156 CO 0.02 -1.69 1.82 0.77 -0.92 0.00 0.00 175.35 175.35 1y0b h SER 157 N 9.14 0.00 0.87 2.83 0.02 -1.09 -1.41 113.55 123.91 1y0b h SER 157 Ca -0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1y0b h SER 157 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1y0b h SER 157 CO 1.11 0.00 -0.01 2.22 -1.14 0.00 0.00 176.83 179.01 1y0b n PHE 158 N -2.62 0.00 -3.82 3.45 1.16 -1.25 -4.81 117.46 109.57 1y0b n PHE 158 Ca 0.02 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.31 1y0b n PHE 158 Cb 0.29 -0.43 -0.04 0.00 -1.61 0.00 0.00 39.48 37.69 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 -2.88 3.49 0.00 3.97 -0.21 -0.53 -5.03 119.66 118.47 1y0b s GLN 159 Ca 0.18 -0.39 0.25 0.00 0.02 0.00 0.00 55.36 55.42 1y0b s GLN 159 Cb 0.19 -2.93 1.24 0.00 1.00 0.00 0.00 33.01 32.51 1y0b s GLN 159 CO 0.52 0.50 1.82 -0.35 -2.12 0.00 0.00 175.29 175.66 1y0b n PRO 160 N -0.23 0.34 -0.11 2.91 -0.04 -1.25 -4.25 135.00 132.37 1y0b n PRO 160 Ca -0.05 0.05 -0.06 0.00 -0.04 0.00 0.00 63.50 63.41 1y0b n PRO 160 Cb 0.53 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 4.08 0.05 0.95 0.55 0.00 -1.22 -2.00 103.07 105.47 1y0b h GLY 161 Ca 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 1y0b h GLY 161 CO 0.00 -0.20 -0.06 -0.09 0.00 0.00 0.00 176.54 176.19 1y0b h ARG 162 N -0.14 -0.15 -0.69 4.80 2.43 -1.77 -2.56 114.38 116.30 1y0b h ARG 162 Ca 0.19 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.39 1y0b h ARG 162 Cb 0.44 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 1y0b h ARG 162 CO -0.48 -0.10 0.46 -0.44 -1.51 0.00 0.00 179.97 177.90 1y0b h ASP 163 N -0.15 0.75 -0.27 -3.80 3.32 -1.80 0.15 116.42 114.61 1y0b h ASP 163 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1y0b h ASP 163 Cb 0.14 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1y0b h ASP 163 CO -0.00 0.53 0.17 -0.33 -1.72 0.00 0.00 179.24 177.90 1y0b h GLU 164 N 0.88 0.37 -0.27 3.56 5.08 -1.15 0.16 114.58 123.22 1y0b h GLU 164 Ca 0.26 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.50 1y0b h GLU 164 Cb -0.03 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1y0b h GLU 164 CO -0.07 0.27 -0.21 -0.07 -1.00 0.00 0.00 179.01 177.93 1y0b h LEU 165 N 0.36 0.65 -0.59 1.33 3.38 -1.03 -3.03 115.31 116.37 1y0b h LEU 165 Ca 0.10 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1y0b h LEU 165 Cb -0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1y0b h LEU 165 CO -0.02 0.96 0.26 0.58 0.09 0.00 0.00 178.44 180.31 1y0b h VAL 166 N 0.34 1.22 -0.93 1.22 2.07 -0.88 -2.38 116.25 116.91 1y0b h VAL 166 Ca 0.05 -0.66 0.14 0.00 0.82 0.00 0.00 66.70 67.05 1y0b h VAL 166 Cb 0.76 0.55 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 1y0b h VAL 166 CO 0.06 0.26 0.59 0.50 0.02 0.00 0.00 177.57 179.00 1y0b h LYS 167 N 0.82 0.75 0.00 1.57 3.64 -0.67 0.90 116.57 123.57 1y0b h LYS 167 Ca 0.20 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1y0b h LYS 167 Cb 0.17 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1y0b h LYS 167 CO -0.02 0.50 0.00 1.28 -2.27 0.00 0.00 179.45 178.94 1y0b n LEU 168 N -4.59 0.00 0.00 5.20 4.77 -0.97 -4.88 117.00 116.53 1y0b n LEU 168 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1y0b n LEU 168 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1y0b n LEU 168 CO 0.28 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1y0b n GLY 169 N 0.86 0.81 3.76 -0.72 0.00 0.31 -5.06 105.19 105.14 1y0b n GLY 169 Ca 0.18 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.00 3.82 -0.22 1.61 2.02 -0.93 -5.01 117.35 116.63 1y0b s TYR 170 Ca 0.00 1.56 -0.29 0.00 -0.37 0.00 0.00 57.07 57.96 1y0b s TYR 170 Cb 0.00 -2.80 -0.01 0.00 -0.40 0.00 0.00 41.96 38.75 1y0b s TYR 170 CO 0.00 0.38 1.31 0.50 -1.57 0.00 0.00 175.55 176.17 1y0b s ARG 171 N -0.53 4.06 -0.20 -0.62 3.52 -1.26 -4.17 118.95 119.75 1y0b s ARG 171 Ca 0.38 1.49 -0.04 0.00 -0.13 0.00 0.00 55.73 57.43 1y0b s ARG 171 Cb -0.22 -3.84 -0.02 0.00 -1.56 0.00 0.00 34.95 29.32 1y0b s ARG 171 CO 0.25 -0.93 -0.04 0.08 -0.81 0.00 0.00 175.30 173.85 1y0b s VAL 172 N 4.01 3.58 -0.36 7.11 1.01 -1.26 -0.27 120.40 134.22 1y0b s VAL 172 Ca 0.57 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1y0b s VAL 172 Cb -0.20 -2.61 0.10 0.00 0.00 0.00 0.00 36.38 33.67 1y0b s VAL 172 CO 0.20 0.44 0.09 -1.61 0.00 0.00 0.00 175.10 174.21 1y0b s GLU 173 N 1.13 1.74 -0.20 2.72 0.41 0.69 -4.98 118.70 120.21 1y0b s GLU 173 Ca 0.02 -1.80 -0.06 0.00 -0.41 0.00 0.00 54.97 52.72 1y0b s GLU 173 Cb -0.15 -3.31 -0.03 0.00 -1.78 0.00 0.00 34.13 28.87 1y0b s GLU 173 CO 0.00 -0.95 0.02 -1.12 -0.49 0.00 0.00 175.26 172.73 1y0b s SER 174 N 1.23 5.04 0.06 -0.19 0.01 -1.26 -0.79 113.70 117.80 1y0b s SER 174 Ca 0.08 -0.14 -0.12 0.00 1.31 0.00 0.00 55.95 57.08 1y0b s SER 174 Cb -0.20 -1.87 -0.28 0.00 0.21 0.00 0.00 66.02 63.88 1y0b s SER 174 CO -0.06 0.08 1.12 -0.07 0.41 0.00 0.00 173.24 174.71 1y0b h LEU 175 N 7.40 0.78 -7.91 2.44 3.38 -1.24 -3.41 115.31 116.75 1y0b h LEU 175 Ca -0.36 -0.74 -0.64 0.00 0.09 0.00 0.00 57.88 56.23 1y0b h LEU 175 Cb 1.18 -0.25 -0.36 0.00 0.09 0.00 0.00 40.66 41.32 1y0b h LEU 175 CO 0.62 1.55 -0.83 0.00 0.09 0.00 0.00 178.44 179.88 1y0b s ALA 176 N -2.92 2.22 -0.31 1.53 0.00 -0.52 -4.91 121.76 116.85 1y0b s ALA 176 Ca -0.08 -1.30 -0.09 0.00 0.00 0.00 0.00 51.96 50.48 1y0b s ALA 176 Cb 0.06 -1.29 -0.00 0.00 0.00 0.00 0.00 23.12 21.88 1y0b s ALA 176 CO 0.92 -0.70 0.15 1.03 0.00 0.00 0.00 175.76 177.16 1y0b s ARG 177 N 1.30 3.30 -0.34 0.00 0.52 -1.26 -0.61 118.95 121.86 1y0b s ARG 177 Ca -0.00 -0.74 -0.16 0.00 -0.52 0.00 0.00 55.73 54.30 1y0b s ARG 177 Cb -0.16 -3.55 -0.01 0.00 0.52 0.00 0.00 34.95 31.75 1y0b s ARG 177 CO -0.09 -0.43 0.43 0.42 0.02 0.00 0.00 175.30 175.65 1y0b s ILE 178 N 1.60 5.10 0.10 1.52 1.01 0.18 -1.34 121.20 129.37 1y0b s ILE 178 Ca 0.04 0.22 -0.11 0.00 0.00 0.00 0.00 60.65 60.80 1y0b s ILE 178 Cb -0.17 -3.87 -0.18 0.00 0.01 0.00 0.00 42.46 38.24 1y0b s ILE 178 CO 0.06 -0.12 1.27 -0.61 0.00 0.00 0.00 174.94 175.54 1y0b h GLN 179 N 8.43 0.69 -2.19 2.79 4.15 -0.96 0.93 115.11 128.96 1y0b h GLN 179 Ca -0.29 -0.64 -0.02 0.00 0.77 0.00 0.00 58.65 58.46 1y0b h GLN 179 Cb 1.14 0.16 -0.18 0.00 0.21 0.00 0.00 27.48 28.81 1y0b h GLN 179 CO 0.72 1.25 0.26 0.45 -1.93 0.00 0.00 178.83 179.58 1y0b s SER 180 N -7.17 -0.59 0.00 -0.69 0.15 -1.10 -4.40 113.70 99.91 1y0b s SER 180 Ca -0.09 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.03 1y0b s SER 180 Cb 0.08 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1y0b s SER 180 CO 0.90 -0.66 0.75 0.18 1.20 0.00 0.00 173.24 175.62 1y0b n LEU 181 N 0.53 1.26 -4.76 3.45 4.77 -1.26 -1.59 117.00 119.40 1y0b n LEU 181 Ca -0.17 -1.26 -0.34 0.00 -0.03 0.00 0.00 56.01 54.21 1y0b n LEU 181 Cb 0.59 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.72 1y0b n LEU 181 CO 0.20 0.31 0.78 -1.61 -1.33 0.00 0.00 177.39 175.74 1y0b s GLU 182 N -0.56 2.86 -1.62 3.23 2.02 -1.25 -2.76 118.70 120.62 1y0b s GLU 182 Ca 0.00 1.60 -0.12 0.00 0.02 0.00 0.00 54.97 56.47 1y0b s GLU 182 Cb 0.00 -1.94 0.11 0.00 0.10 0.00 0.00 34.13 32.40 1y0b s GLU 182 CO 0.00 -1.24 0.63 -0.85 0.02 0.00 0.00 175.26 173.82 1y0b n GLU 183 N -2.01 -2.98 -3.73 1.61 0.00 -1.26 -3.69 120.64 108.58 1y0b n GLU 183 Ca 0.12 0.36 -0.28 0.00 0.00 0.00 0.00 57.16 57.35 1y0b n GLU 183 Cb 0.51 -4.83 0.03 0.00 0.00 0.00 0.00 31.44 27.15 1y0b n GLU 183 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1y0b n GLY 184 N -1.63 -0.51 3.27 -1.84 0.00 -1.11 -4.97 105.19 98.40 1y0b n GLY 184 Ca -0.06 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 1y0b n GLY 184 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y0b s LYS 185 N -6.43 0.82 -0.29 1.61 0.00 -1.22 -4.69 119.74 109.54 1y0b s LYS 185 Ca 0.60 -0.39 -0.11 0.00 0.00 0.00 0.00 55.97 56.07 1y0b s LYS 185 Cb -0.29 0.36 -0.05 0.00 0.00 0.00 0.00 37.83 37.85 1y0b s LYS 185 CO 0.74 -0.26 0.20 0.08 0.00 0.00 0.00 175.35 176.11 1y0b s VAL 186 N -2.26 5.30 -0.19 1.79 1.01 -1.26 -4.01 120.40 120.78 1y0b s VAL 186 Ca -0.07 0.14 -0.05 0.00 0.00 0.00 0.00 61.98 62.00 1y0b s VAL 186 Cb -0.02 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 1y0b s VAL 186 CO -0.01 0.22 -0.01 -0.44 0.00 0.00 0.00 175.10 174.85 1y0b s SER 187 N 1.75 4.78 0.10 3.32 0.01 -0.62 -5.03 113.70 118.02 1y0b s SER 187 Ca 0.07 -0.20 -0.05 0.00 1.31 0.00 0.00 55.95 57.08 1y0b s SER 187 Cb -0.16 -1.81 -0.05 0.00 0.21 0.00 0.00 66.02 64.21 1y0b s SER 187 CO 0.11 0.08 0.34 -0.36 0.41 0.00 0.00 173.24 173.82 1y0b s PHE 188 N 0.89 3.51 0.17 2.43 0.08 -1.26 -0.33 117.98 123.48 1y0b s PHE 188 Ca 0.00 0.56 -0.32 0.00 0.12 0.00 0.00 56.93 57.30 1y0b s PHE 188 Cb -0.14 -2.00 -0.11 0.00 -0.57 0.00 0.00 43.02 40.20 1y0b s PHE 188 CO 0.02 0.50 1.63 0.08 -0.10 0.00 0.00 175.22 177.35 1y0b s VAL 189 N -1.54 2.44 -1.26 -0.44 1.01 -0.45 -4.71 120.40 115.45 1y0b s VAL 189 Ca 0.37 0.29 -0.06 0.00 0.00 0.00 0.00 61.98 62.58 1y0b s VAL 189 Cb -0.13 -3.19 0.16 0.00 0.00 0.00 0.00 36.38 33.23 1y0b s VAL 189 CO 0.22 0.02 2.17 0.00 0.00 0.00 0.00 175.10 177.51 1y0b n GLN 190 N 4.10 4.52 0.00 2.72 1.13 -1.26 -4.89 117.38 123.70 1y0b n GLN 190 Ca 0.15 -3.69 0.13 0.00 -1.94 0.00 0.00 57.00 51.65 1y0b n GLN 190 Cb 0.37 -2.66 0.36 0.00 0.11 0.00 0.00 30.24 28.43 1y0b n GLN 190 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71