#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yul s LYS 3 N 0.00 2.66 -0.33 1.61 1.02 -1.26 -4.89 119.74 118.55 1yul s LYS 3 Ca 0.00 -1.41 -0.05 0.00 0.02 0.00 0.00 55.97 54.53 1yul s LYS 3 Cb 0.00 -2.53 0.05 0.00 -0.52 0.00 0.00 37.83 34.82 1yul s LYS 3 CO 0.00 -0.21 0.08 1.03 -0.92 0.00 0.00 175.35 175.32 1yul s ARG 4 N -4.21 2.54 -0.08 1.68 0.52 -1.26 -0.45 118.95 117.68 1yul s ARG 4 Ca 0.51 -1.23 0.02 0.00 -0.52 0.00 0.00 55.73 54.51 1yul s ARG 4 Cb -0.06 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 32.01 1yul s ARG 4 CO 0.30 -0.67 -0.14 0.42 0.02 0.00 0.00 175.30 175.23 1yul s ILE 5 N 1.35 3.00 0.12 1.52 1.01 0.44 -0.10 121.20 128.53 1yul s ILE 5 Ca -0.02 -0.72 0.06 0.00 0.00 0.00 0.00 60.65 59.97 1yul s ILE 5 Cb -0.20 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1yul s ILE 5 CO 0.01 0.56 -0.04 -0.83 0.00 0.00 0.00 174.94 174.64 1yul s GLY 6 N -0.24 1.83 -0.15 6.18 0.00 0.78 -0.49 107.32 115.24 1yul s GLY 6 Ca 0.01 -1.23 0.01 0.00 0.00 0.00 0.00 44.72 43.51 1yul s GLY 6 CO 0.03 -1.22 -0.16 1.08 0.00 0.00 0.00 173.10 172.84 1yul s LEU 7 N -2.42 1.78 -0.34 0.66 1.43 0.85 -0.47 118.68 120.18 1yul s LEU 7 Ca 0.24 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 1yul s LEU 7 Cb -0.11 -1.23 0.10 0.00 0.03 0.00 0.00 46.19 44.98 1yul s LEU 7 CO 0.17 -0.03 0.05 0.12 0.23 0.00 0.00 176.35 176.89 1yul s PHE 8 N 1.34 3.52 0.51 0.29 5.36 0.59 -1.31 117.98 128.28 1yul s PHE 8 Ca 0.02 -2.85 -0.05 0.00 -0.96 0.00 0.00 56.93 53.09 1yul s PHE 8 Cb -0.13 -2.78 -0.02 0.00 -0.34 0.00 0.00 43.02 39.75 1yul s PHE 8 CO -0.09 -0.94 0.82 0.20 -1.46 0.00 0.00 175.22 173.74 1yul s GLY 9 N 0.99 1.54 0.00 13.12 0.00 -1.26 0.02 107.32 121.72 1yul s GLY 9 Ca 0.11 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.23 1yul s GLY 9 CO -0.10 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.21 1yul n GLY 10 N -2.35 1.48 0.11 0.20 0.00 -0.98 -4.86 105.19 98.79 1yul n GLY 10 Ca 0.02 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 1yul n GLY 10 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1yul h THR 11 N 0.50 1.42 -6.16 2.61 2.02 -1.89 0.00 112.91 111.41 1yul h THR 11 Ca 0.00 -2.96 -0.29 0.00 0.77 0.00 0.00 66.41 63.92 1yul h THR 11 Cb 0.00 2.95 0.01 0.00 -1.74 0.00 0.00 68.15 69.37 1yul h THR 11 CO 0.00 0.87 -0.65 0.49 0.37 0.00 0.00 175.52 176.60 1yul n PHE 12 N -3.56 -2.38 -3.21 3.16 3.01 -1.26 -4.69 117.46 108.52 1yul n PHE 12 Ca -0.11 0.90 -0.24 0.00 1.01 0.00 0.00 57.45 59.00 1yul n PHE 12 Cb 1.04 -3.37 -0.06 0.00 -0.01 0.00 0.00 39.48 37.08 1yul n PHE 12 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1yul n ASP 13 N -2.30 2.35 -5.00 4.37 2.03 -1.26 -3.40 116.55 113.34 1yul n ASP 13 Ca -0.17 -3.20 -0.18 0.00 0.52 0.00 0.00 54.79 51.76 1yul n ASP 13 Cb 0.61 -0.63 0.02 0.00 -0.72 0.00 0.00 41.12 40.40 1yul n ASP 13 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1yul s PRO 14 N -2.33 2.73 0.37 -0.67 0.04 -1.26 -4.74 135.00 129.13 1yul s PRO 14 Ca 0.41 -1.13 -0.27 0.00 0.04 0.00 0.00 61.00 60.04 1yul s PRO 14 Cb 0.22 -2.68 -0.10 0.00 0.04 0.00 0.00 34.50 31.99 1yul s PRO 14 CO -0.08 -0.42 1.31 0.54 0.04 0.00 0.00 177.00 178.40 1yul s VAL 15 N -2.48 2.63 0.14 -0.36 0.11 -1.22 -4.73 120.40 114.49 1yul s VAL 15 Ca 0.56 0.60 0.02 0.00 -2.93 0.00 0.00 61.98 60.23 1yul s VAL 15 Cb -0.10 -3.37 -0.01 0.00 -1.53 0.00 0.00 36.38 31.37 1yul s VAL 15 CO 0.35 0.12 0.08 0.00 -3.33 0.00 0.00 175.10 172.31 1yul n HIS 16 N 0.46 -0.12 -0.07 1.54 1.44 -1.26 -4.74 115.22 112.47 1yul n HIS 16 Ca 0.02 -0.99 0.01 0.00 -2.01 0.00 0.00 57.72 54.75 1yul n HIS 16 Cb 0.42 0.05 0.32 0.00 0.12 0.00 0.00 29.99 30.91 1yul n HIS 16 CO 0.00 0.00 0.00 0.82 -2.81 0.00 0.00 176.34 174.35 1yul h ILE 17 N 1.32 1.16 -0.17 0.61 1.08 -1.57 -2.64 117.51 117.30 1yul h ILE 17 Ca -0.10 -0.44 -0.00 0.00 -0.39 0.00 0.00 64.86 63.92 1yul h ILE 17 Cb 0.44 0.53 -0.01 0.00 -3.07 0.00 0.00 36.82 34.71 1yul h ILE 17 CO 0.16 0.18 0.10 1.23 -0.69 0.00 0.00 178.15 179.13 1yul h GLY 18 N 0.78 0.26 -0.55 5.37 0.00 -1.85 -1.13 103.07 105.95 1yul h GLY 18 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1yul h GLY 18 CO -0.03 0.11 0.00 1.42 0.00 0.00 0.00 176.54 178.05 1yul n HIS 19 N -4.92 0.00 0.00 5.60 8.25 -1.00 -2.31 115.22 120.85 1yul n HIS 19 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1yul n HIS 19 Cb 0.07 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.18 1yul n HIS 19 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1yul n ARG 21 N 0.05 0.00 -0.22 -0.41 5.12 -0.43 -1.34 116.66 119.43 1yul n ARG 21 Ca 0.00 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 1yul n ARG 21 Cb 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.33 1yul n ARG 21 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 1yul h SER 22 N 0.00 1.06 0.02 0.55 0.02 -1.70 -1.08 113.55 112.41 1yul h SER 22 Ca 0.00 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1yul h SER 22 Cb 0.00 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.26 1yul h SER 22 CO 0.00 1.08 -0.01 0.00 -1.14 0.00 0.00 176.83 176.77 1yul h ALA 23 N 1.01 -0.02 -0.09 3.77 0.00 -1.48 -3.01 119.26 119.44 1yul h ALA 23 Ca 0.18 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1yul h ALA 23 Cb 0.52 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1yul h ALA 23 CO 0.02 -0.48 -0.07 0.28 0.00 0.00 0.00 179.25 179.00 1yul h VAL 24 N -0.09 0.78 0.00 0.00 2.07 -1.80 -0.51 116.25 116.70 1yul h VAL 24 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1yul h VAL 24 Cb 0.09 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1yul h VAL 24 CO 0.00 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.97 1yul n GLU 25 N -5.21 0.01 0.00 1.57 1.02 -0.42 -1.86 120.64 115.76 1yul n GLU 25 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1yul n GLU 25 Cb 0.13 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 1yul n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yul n ALA 27 N 0.79 0.00 -0.04 0.62 0.00 -0.20 -1.05 120.51 120.63 1yul n ALA 27 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1yul n ALA 27 Cb 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1yul n ALA 27 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1yul h GLU 28 N 0.00 -0.01 -0.83 0.00 5.08 -1.62 -0.55 114.58 116.64 1yul h GLU 28 Ca 0.00 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1yul h GLU 28 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.18 1yul h GLU 28 CO 0.00 0.72 0.47 0.37 -1.00 0.00 0.00 179.01 179.57 1yul h GLN 29 N -0.75 0.76 -0.53 2.33 4.15 -1.36 -2.03 115.11 117.68 1yul h GLN 29 Ca -0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1yul h GLN 29 Cb 0.73 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1yul h GLN 29 CO 0.00 0.50 0.00 1.19 -1.93 0.00 0.00 178.83 178.60 1yul n PHE 30 N -4.75 0.70 -4.01 3.99 3.01 -1.25 -4.96 117.46 110.19 1yul n PHE 30 Ca 0.14 -0.35 -0.29 0.00 1.01 0.00 0.00 57.45 57.96 1yul n PHE 30 Cb 0.29 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.73 1yul n PHE 30 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yul n ALA 31 N 1.24 -2.11 -1.77 4.37 0.00 -0.76 -4.89 120.51 116.58 1yul n ALA 31 Ca 0.20 -0.32 -0.39 0.00 0.00 0.00 0.00 53.44 52.93 1yul n ALA 31 Cb 0.51 -1.68 -0.05 0.00 0.00 0.00 0.00 19.45 18.23 1yul n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yul s LEU 32 N -7.04 4.44 0.29 0.00 1.43 -0.28 -4.83 118.68 112.70 1yul s LEU 32 Ca 0.08 2.09 0.16 0.00 -1.03 0.00 0.00 54.13 55.42 1yul s LEU 32 Cb -0.04 -3.82 0.14 0.00 0.03 0.00 0.00 46.19 42.50 1yul s LEU 32 CO 0.91 -0.16 1.48 0.44 0.23 0.00 0.00 176.35 179.25 1yul h ASP 33 N 3.46 0.00 -3.88 2.29 3.32 -0.84 -3.46 116.42 117.31 1yul h ASP 33 Ca -0.47 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.55 1yul h ASP 33 Cb 1.21 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.54 1yul h ASP 33 CO 0.66 0.48 0.14 -0.70 -1.72 0.00 0.00 179.24 178.10 1yul s GLU 34 N -3.03 0.81 -0.24 3.56 2.12 -1.14 -4.54 118.70 116.25 1yul s GLU 34 Ca 0.04 0.99 0.01 0.00 0.36 0.00 0.00 54.97 56.37 1yul s GLU 34 Cb 0.08 0.38 0.06 0.00 0.26 0.00 0.00 34.13 34.91 1yul s GLU 34 CO 0.74 -0.10 -0.06 -1.17 -0.54 0.00 0.00 175.26 174.12 1yul s LEU 35 N 0.46 2.68 -0.16 2.70 0.20 0.27 -0.15 118.68 124.67 1yul s LEU 35 Ca -0.01 -1.19 -0.18 0.00 0.69 0.00 0.00 54.13 53.44 1yul s LEU 35 Cb -0.05 -1.23 -0.04 0.00 -0.43 0.00 0.00 46.19 44.44 1yul s LEU 35 CO -0.01 -0.23 0.50 -0.13 -0.29 0.00 0.00 176.35 176.20 1yul s ARG 36 N 1.35 4.26 -0.06 1.98 0.52 0.37 -1.48 118.95 125.90 1yul s ARG 36 Ca -0.06 0.44 -0.25 0.00 -0.52 0.00 0.00 55.73 55.34 1yul s ARG 36 Cb -0.19 -3.50 -0.03 0.00 0.52 0.00 0.00 34.95 31.74 1yul s ARG 36 CO -0.06 -0.00 0.76 -0.51 0.02 0.00 0.00 175.30 175.50 1yul s LEU 37 N 1.16 4.32 -0.43 2.53 1.02 0.24 -0.30 118.68 127.23 1yul s LEU 37 Ca 0.25 1.28 0.01 0.00 0.02 0.00 0.00 54.13 55.68 1yul s LEU 37 Cb -0.15 -3.18 0.12 0.00 0.02 0.00 0.00 46.19 43.00 1yul s LEU 37 CO 0.10 -0.15 0.19 -0.22 0.02 0.00 0.00 176.35 176.29 1yul s LEU 38 N 0.87 4.93 0.11 1.79 2.96 0.10 -1.08 118.68 128.37 1yul s LEU 38 Ca 0.40 -2.35 -0.31 0.00 -0.22 0.00 0.00 54.13 51.66 1yul s LEU 38 Cb -0.18 -1.73 -0.09 0.00 0.50 0.00 0.00 46.19 44.69 1yul s LEU 38 CO 0.20 -0.41 1.56 -2.84 -1.32 0.00 0.00 176.35 173.53 1yul s PRO 39 N 0.66 4.23 0.33 0.98 0.02 -1.26 -2.31 135.00 137.66 1yul s PRO 39 Ca 0.12 2.27 -0.24 0.00 0.02 0.00 0.00 61.00 63.17 1yul s PRO 39 Cb -0.22 -3.37 -0.10 0.00 0.02 0.00 0.00 34.50 30.84 1yul s PRO 39 CO -0.05 -0.62 0.91 -0.80 -0.33 0.00 0.00 177.00 176.11 1yul s ASN 40 N 1.67 7.21 0.27 2.53 0.02 -0.01 -4.48 114.94 122.14 1yul s ASN 40 Ca 0.70 1.73 -0.14 0.00 -1.02 0.00 0.00 52.86 54.14 1yul s ASN 40 Cb -0.40 -2.54 -0.08 0.00 0.02 0.00 0.00 41.25 38.24 1yul s ASN 40 CO 0.31 -0.11 0.66 0.00 0.02 0.00 0.00 177.10 177.98 1yul s ALA 41 N -1.72 3.43 0.13 0.60 0.00 -1.26 -4.87 121.76 118.06 1yul s ALA 41 Ca 0.52 -0.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.26 1yul s ALA 41 Cb -0.16 -2.65 0.03 0.00 0.00 0.00 0.00 23.12 20.34 1yul s ALA 41 CO 0.21 0.40 0.40 -0.98 0.00 0.00 0.00 175.76 175.79 1yul s ARG 42 N -2.77 1.10 0.62 0.00 1.70 -1.26 -4.75 118.95 113.59 1yul s ARG 42 Ca 0.50 -0.75 -0.19 0.00 -0.47 0.00 0.00 55.73 54.82 1yul s ARG 42 Cb -0.11 0.47 -0.02 0.00 -0.57 0.00 0.00 34.95 34.71 1yul s ARG 42 CO 0.19 -0.43 1.30 -1.25 -1.08 0.00 0.00 175.30 174.03 1yul s PRO 43 N -3.82 2.70 0.36 3.89 0.04 -1.26 -4.83 135.00 132.08 1yul s PRO 43 Ca 0.04 2.09 0.12 0.00 0.04 0.00 0.00 61.00 63.29 1yul s PRO 43 Cb 0.02 -1.93 0.91 0.00 0.04 0.00 0.00 34.50 33.53 1yul s PRO 43 CO -0.11 -1.49 1.81 -1.35 0.04 0.00 0.00 177.00 175.90 1yul h PRO 44 N 0.76 0.58 0.00 0.56 0.11 -1.99 0.16 132.00 132.17 1yul h PRO 44 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1yul h PRO 44 Cb 1.33 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1yul h PRO 44 CO 0.54 0.38 0.00 -2.39 -0.21 0.00 0.00 178.00 176.32 1yul n HIS 45 N -4.64 0.00 0.93 0.65 1.44 -1.26 -1.97 115.22 110.37 1yul n HIS 45 Ca 0.22 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.04 1yul n HIS 45 Cb 0.65 -0.37 0.10 0.00 0.12 0.00 0.00 29.99 30.49 1yul n HIS 45 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1yul n ARG 46 N -1.37 2.23 -2.58 -1.40 5.12 0.04 -4.94 116.66 113.77 1yul n ARG 46 Ca 0.07 -1.90 -0.31 0.00 -1.93 0.00 0.00 57.85 53.77 1yul n ARG 46 Cb 0.17 -1.45 -0.03 0.00 -1.16 0.00 0.00 32.46 29.99 1yul n ARG 46 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1yul s GLU 47 N -1.90 3.89 0.22 5.56 0.41 -0.83 -4.99 118.70 121.06 1yul s GLU 47 Ca 0.28 0.78 -0.30 0.00 -0.41 0.00 0.00 54.97 55.32 1yul s GLU 47 Cb 0.19 -2.23 -0.09 0.00 -1.78 0.00 0.00 34.13 30.22 1yul s GLU 47 CO 0.29 -0.18 1.32 0.99 -0.49 0.00 0.00 175.26 177.20 1yul s THR 48 N -2.52 3.08 0.15 3.63 2.01 -1.25 -4.90 115.64 115.84 1yul s THR 48 Ca 0.56 0.91 -0.34 0.00 0.31 0.00 0.00 61.69 63.13 1yul s THR 48 Cb -0.10 -3.58 -0.15 0.00 0.01 0.00 0.00 72.50 68.67 1yul s THR 48 CO 0.31 0.15 1.36 -2.65 -0.69 0.00 0.00 174.62 173.10 1yul n PRO 49 N 2.38 1.51 -0.90 4.92 -0.02 -1.26 -0.89 135.00 140.74 1yul n PRO 49 Ca 0.05 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1yul n PRO 49 Cb 0.42 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1yul n PRO 49 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1yul n GLN 50 N 2.47 -0.29 -3.85 -0.52 3.00 -1.26 -4.78 117.38 112.15 1yul n GLN 50 Ca 0.16 0.07 -0.30 0.00 -0.01 0.00 0.00 57.00 56.92 1yul n GLN 50 Cb 0.24 -3.39 -0.15 0.00 0.00 0.00 0.00 30.24 26.94 1yul n GLN 50 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1yul s VAL 51 N -2.42 1.38 0.73 5.09 1.01 -0.07 -4.80 120.40 121.32 1yul s VAL 51 Ca 0.00 -1.66 -0.11 0.00 0.00 0.00 0.00 61.98 60.22 1yul s VAL 51 Cb 0.00 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.43 1yul s VAL 51 CO 0.00 -0.58 1.10 -0.94 0.00 0.00 0.00 175.10 174.68 1yul s SER 52 N 1.37 5.10 0.25 3.32 1.04 -1.26 -3.86 113.70 119.66 1yul s SER 52 Ca 0.08 0.92 -0.05 0.00 0.48 0.00 0.00 55.95 57.38 1yul s SER 52 Cb -0.18 -1.62 0.30 0.00 0.10 0.00 0.00 66.02 64.62 1yul s SER 52 CO -0.17 -1.52 1.91 0.00 0.98 0.00 0.00 173.24 174.43 1yul h ALA 53 N -0.74 1.30 -0.56 5.32 0.00 -1.98 -0.78 119.26 121.83 1yul h ALA 53 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1yul h ALA 53 Cb 1.28 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1yul h ALA 53 CO 0.64 0.57 0.36 0.00 0.00 0.00 0.00 179.25 180.83 1yul h ALA 54 N 1.39 1.58 -0.04 0.00 0.00 -1.99 -0.46 119.26 119.75 1yul h ALA 54 Ca 0.39 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 55.05 1yul h ALA 54 Cb -0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1yul h ALA 54 CO -0.11 0.38 -0.81 1.96 0.00 0.00 0.00 179.25 180.67 1yul h GLN 55 N 0.76 0.36 -0.72 0.00 4.20 -1.55 -0.69 115.11 117.47 1yul h GLN 55 Ca 0.21 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1yul h GLN 55 Cb -0.07 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1yul h GLN 55 CO -0.04 0.99 0.22 0.00 -0.67 0.00 0.00 178.83 179.33 1yul h ARG 56 N 0.23 1.12 -0.44 1.46 3.08 -0.49 -2.63 114.38 116.71 1yul h ARG 56 Ca -0.05 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.72 1yul h ARG 56 Cb 1.41 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 31.28 1yul h ARG 56 CO 0.14 0.97 0.12 1.25 -1.07 0.00 0.00 179.97 181.37 1yul h LEU 57 N 1.07 0.65 -1.59 3.04 5.85 -0.96 -2.37 115.31 120.99 1yul h LEU 57 Ca 0.23 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1yul h LEU 57 Cb 0.32 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1yul h LEU 57 CO -0.01 0.70 0.00 0.00 -0.34 0.00 0.00 178.44 178.79 1yul n ALA 58 N -2.35 1.23 0.00 1.25 0.00 -0.28 -1.02 120.51 119.34 1yul n ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yul n ALA 58 Cb 0.20 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1yul n ALA 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1yul n VAL 60 N 0.76 0.00 -0.21 0.00 0.31 -0.89 -1.00 118.33 117.31 1yul n VAL 60 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 1yul n VAL 60 Cb 0.00 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.04 1yul n VAL 60 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1yul h GLU 61 N 0.00 1.02 -0.48 5.55 5.08 -1.36 -1.88 114.58 122.51 1yul h GLU 61 Ca 0.00 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.03 1yul h GLU 61 Cb 0.00 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1yul h GLU 61 CO 0.00 0.90 -0.10 0.00 -1.00 0.00 0.00 179.01 178.82 1yul h ARG 62 N 0.97 0.87 -0.28 2.33 2.47 -1.33 -1.72 114.38 117.68 1yul h ARG 62 Ca 0.21 -0.30 -0.08 0.00 -1.26 0.00 0.00 59.98 58.55 1yul h ARG 62 Cb 0.34 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.58 1yul h ARG 62 CO 0.00 0.93 -0.16 0.00 0.56 0.00 0.00 179.97 181.30 1yul h ALA 63 N 1.10 1.21 -0.01 0.04 0.00 -1.72 -3.13 119.26 116.75 1yul h ALA 63 Ca 0.13 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1yul h ALA 63 Cb 0.61 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1yul h ALA 63 CO 0.04 0.51 -0.61 1.33 0.00 0.00 0.00 179.25 180.52 1yul n VAL 64 N -4.18 0.00 -1.81 0.00 0.24 -0.75 -4.85 118.33 106.98 1yul n VAL 64 Ca 0.00 -0.12 -0.42 0.00 -2.04 0.00 0.00 64.34 61.76 1yul n VAL 64 Cb 0.34 0.91 -0.03 0.00 -1.47 0.00 0.00 33.84 33.59 1yul n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1yul s ALA 65 N -2.71 3.78 0.00 2.33 0.00 -0.66 -1.59 121.76 122.91 1yul s ALA 65 Ca 0.15 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1yul s ALA 65 Cb 0.18 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1yul s ALA 65 CO 0.67 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.78 1yul n GLY 66 N 4.05 0.77 3.32 0.00 0.00 -1.26 -5.00 105.19 107.07 1yul n GLY 66 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1yul n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yul s VAL 67 N -3.06 3.82 0.47 1.61 1.01 -0.62 -5.08 120.40 118.54 1yul s VAL 67 Ca 0.00 -0.74 -0.23 0.00 0.00 0.00 0.00 61.98 61.00 1yul s VAL 67 Cb 0.00 -2.97 -0.07 0.00 0.00 0.00 0.00 36.38 33.34 1yul s VAL 67 CO 0.00 0.09 1.25 -1.83 0.00 0.00 0.00 175.10 174.61 1yul s GLU 68 N 1.47 3.65 0.00 2.72 4.04 -1.26 -3.00 118.70 126.32 1yul s GLU 68 Ca 0.02 1.98 0.00 0.00 0.04 0.00 0.00 54.97 57.01 1yul s GLU 68 Cb -0.17 -2.45 0.00 0.00 0.02 0.00 0.00 34.13 31.52 1yul s GLU 68 CO 0.02 -0.70 0.00 0.54 -1.84 0.00 0.00 175.26 173.28 1yul n ARG 69 N -0.47 0.00 -3.98 -4.83 1.74 -1.26 -4.97 116.66 102.89 1yul n ARG 69 Ca 0.07 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.80 1yul n ARG 69 Cb 0.46 -1.68 -0.13 0.00 -1.02 0.00 0.00 32.46 30.09 1yul n ARG 69 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1yul s LEU 70 N 0.00 3.10 0.00 0.55 1.43 -1.16 0.94 118.68 123.54 1yul s LEU 70 Ca 0.00 -0.29 0.04 0.00 -1.03 0.00 0.00 54.13 52.85 1yul s LEU 70 Cb 0.00 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 1yul s LEU 70 CO 0.00 0.01 0.16 0.35 0.23 0.00 0.00 176.35 177.10 1yul n THR 71 N 4.58 0.00 -4.79 5.49 -2.24 -0.55 -4.78 114.28 112.00 1yul n THR 71 Ca -0.17 -2.46 -0.25 0.00 -2.27 0.00 0.00 64.05 58.90 1yul n THR 71 Cb 0.51 0.90 -0.16 0.00 -2.10 0.00 0.00 70.33 69.48 1yul n THR 71 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1yul s VAL 72 N -3.15 1.33 -0.28 2.28 0.11 -1.26 -0.59 120.40 118.85 1yul s VAL 72 Ca 0.22 -0.69 0.03 0.00 -2.93 0.00 0.00 61.98 58.61 1yul s VAL 72 Cb 0.01 -1.13 0.07 0.00 -1.53 0.00 0.00 36.38 33.80 1yul s VAL 72 CO 0.16 0.38 -0.06 -0.62 -3.33 0.00 0.00 175.10 171.63 1yul s ASP 73 N -0.15 4.46 0.00 3.54 3.68 -0.24 -4.88 116.67 123.08 1yul s ASP 73 Ca 0.01 -1.57 0.11 0.00 2.13 0.00 0.00 52.55 53.24 1yul s ASP 73 Cb -0.09 -1.52 0.33 0.00 -1.45 0.00 0.00 42.92 40.19 1yul s ASP 73 CO 0.01 -0.25 1.27 -0.81 0.13 0.00 0.00 175.17 175.53 1yul n PRO 74 N 4.42 1.82 -0.35 4.34 -0.04 -1.26 -4.01 135.00 139.91 1yul n PRO 74 Ca -0.09 -1.27 0.15 0.00 -0.04 0.00 0.00 63.50 62.25 1yul n PRO 74 Cb 0.42 -1.28 0.35 0.00 -0.04 0.00 0.00 33.50 32.95 1yul n PRO 74 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 1yul h ARG 75 N 2.08 0.68 -0.42 0.54 0.11 -1.94 0.08 114.38 115.50 1yul h ARG 75 Ca 0.00 -0.04 -0.05 0.00 0.10 0.00 0.00 59.98 59.99 1yul h ARG 75 Cb 0.47 -0.15 -0.02 0.00 1.11 0.00 0.00 29.97 31.38 1yul h ARG 75 CO 0.00 0.45 0.06 0.93 0.10 0.00 0.00 179.97 181.51 1yul h GLU 76 N 0.70 0.65 0.00 0.08 5.08 -1.82 -2.76 114.58 116.50 1yul h GLU 76 Ca 0.61 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.69 1yul h GLU 76 Cb 1.02 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1yul h GLU 76 CO -0.42 0.62 -0.70 -0.07 -1.00 0.00 0.00 179.01 177.44 1yul h LEU 77 N 0.62 0.00 0.00 1.33 3.38 -1.23 -3.14 115.31 116.28 1yul h LEU 77 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1yul h LEU 77 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1yul h LEU 77 CO 0.00 0.70 0.00 0.00 0.09 0.00 0.00 178.44 179.23 1yul n GLN 78 N -3.62 0.32 -2.79 1.13 6.02 -0.83 -4.75 117.38 112.86 1yul n GLN 78 Ca -0.01 0.09 -0.24 0.00 -0.01 0.00 0.00 57.00 56.84 1yul n GLN 78 Cb 0.70 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.48 1yul n GLN 78 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1yul s ARG 79 N -2.42 2.97 0.37 -1.09 0.52 -1.19 -5.00 118.95 113.12 1yul s ARG 79 Ca 0.19 -0.39 0.19 0.00 -0.52 0.00 0.00 55.73 55.19 1yul s ARG 79 Cb 0.11 -2.47 0.66 0.00 0.52 0.00 0.00 34.95 33.76 1yul s ARG 79 CO 0.24 -0.43 1.72 0.38 0.02 0.00 0.00 175.30 177.23 1yul h ASP 80 N 0.21 0.00 -5.33 0.23 3.04 -1.89 -3.46 116.42 109.22 1yul h ASP 80 Ca -0.46 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.23 1yul h ASP 80 Cb 1.26 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 39.44 1yul h ASP 80 CO 0.58 0.37 -0.24 -0.54 -2.04 0.00 0.00 179.24 177.37 1yul s LYS 81 N -3.57 1.46 0.89 4.15 -0.14 -1.26 -5.11 119.74 116.16 1yul s LYS 81 Ca 0.00 -1.35 -0.14 0.00 -1.36 0.00 0.00 55.97 53.13 1yul s LYS 81 Cb 0.11 0.42 0.01 0.00 -1.68 0.00 0.00 37.83 36.69 1yul s LYS 81 CO 0.69 -0.58 0.40 -2.30 -0.76 0.00 0.00 175.35 172.79 1yul n PRO 82 N -0.35 -0.11 -4.41 -1.68 -0.02 -1.26 -5.00 135.00 122.16 1yul n PRO 82 Ca -0.01 0.01 -0.22 0.00 -2.02 0.00 0.00 63.50 61.26 1yul n PRO 82 Cb 0.63 -1.82 -0.10 0.00 -0.02 0.00 0.00 33.50 32.19 1yul n PRO 82 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1yul s SER 83 N -1.82 3.16 0.24 2.55 0.01 -1.26 -5.08 113.70 111.50 1yul s SER 83 Ca 0.59 -1.00 -0.22 0.00 1.31 0.00 0.00 55.95 56.62 1yul s SER 83 Cb -0.25 -0.23 -0.09 0.00 0.21 0.00 0.00 66.02 65.67 1yul s SER 83 CO 0.65 -0.03 0.79 -0.31 0.41 0.00 0.00 173.24 174.75 1yul s TYR 84 N -2.58 3.69 0.26 2.43 4.12 -1.26 -4.96 117.35 119.05 1yul s TYR 84 Ca 0.26 1.52 -0.01 0.00 0.02 0.00 0.00 57.07 58.86 1yul s TYR 84 Cb -0.04 -2.72 0.52 0.00 -1.52 0.00 0.00 41.96 38.20 1yul s TYR 84 CO 0.11 0.32 1.76 1.15 0.02 0.00 0.00 175.55 178.91 1yul h THR 85 N 2.76 0.73 -0.78 -0.71 2.02 -2.00 -1.04 112.91 113.88 1yul h THR 85 Ca -0.47 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 66.55 1yul h THR 85 Cb 1.19 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 1yul h THR 85 CO 0.65 0.11 0.51 -0.29 0.37 0.00 0.00 175.52 176.88 1yul h ILE 86 N 0.61 1.08 -0.30 3.11 6.09 -1.93 0.60 117.51 126.77 1yul h ILE 86 Ca 0.46 -0.31 -0.08 0.00 -1.37 0.00 0.00 64.86 63.55 1yul h ILE 86 Cb 0.64 0.10 -0.01 0.00 0.47 0.00 0.00 36.82 38.02 1yul h ILE 86 CO -0.36 0.16 -0.14 0.44 -3.07 0.00 0.00 178.15 175.18 1yul h ASP 87 N 0.90 0.64 -0.45 2.19 3.32 -1.57 -0.61 116.42 120.85 1yul h ASP 87 Ca 0.32 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 56.97 1yul h ASP 87 Cb 0.14 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1yul h ASP 87 CO -0.10 0.91 0.30 0.74 -1.72 0.00 0.00 179.24 179.36 1yul h THR 88 N 0.38 1.11 -0.29 0.35 2.02 -1.01 0.10 112.91 115.57 1yul h THR 88 Ca 0.07 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.05 1yul h THR 88 Cb 0.66 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 1yul h THR 88 CO 0.04 0.11 0.17 0.25 0.37 0.00 0.00 175.52 176.47 1yul h LEU 89 N 0.61 0.28 -1.00 2.58 5.85 -0.75 -0.62 115.31 122.26 1yul h LEU 89 Ca 0.17 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.81 1yul h LEU 89 Cb -0.07 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1yul h LEU 89 CO -0.04 0.21 -0.08 -0.33 -0.34 0.00 0.00 178.44 177.86 1yul h GLU 90 N 0.35 0.63 -0.50 1.25 5.08 -0.84 -0.62 114.58 119.94 1yul h GLU 90 Ca 0.11 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1yul h GLU 90 Cb -0.01 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1yul h GLU 90 CO -0.05 0.71 0.22 1.03 -1.00 0.00 0.00 179.01 179.92 1yul h SER 91 N 0.59 0.68 0.17 1.42 0.87 -0.44 -0.67 113.55 116.16 1yul h SER 91 Ca 0.11 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1yul h SER 91 Cb 0.48 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1yul h SER 91 CO 0.03 0.64 -0.08 0.58 -0.53 0.00 0.00 176.83 177.46 1yul h VAL 92 N 0.67 0.93 -0.22 2.23 2.07 -0.77 -3.05 116.25 118.11 1yul h VAL 92 Ca 0.17 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.17 1yul h VAL 92 Cb 0.16 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1yul h VAL 92 CO -0.02 0.13 0.15 -0.09 0.02 0.00 0.00 177.57 177.76 1yul h ARG 93 N -0.51 0.08 0.00 1.57 9.65 -1.07 -1.32 114.38 122.78 1yul h ARG 93 Ca -0.02 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1yul h ARG 93 Cb 0.39 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.95 1yul h ARG 93 CO 0.04 0.05 -0.03 0.00 2.80 0.00 0.00 179.97 182.83 1yul h ALA 94 N 1.89 1.18 -0.02 2.80 0.00 -1.00 -2.00 119.26 122.11 1yul h ALA 94 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1yul h ALA 94 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1yul h ALA 94 CO -0.01 0.03 -0.26 0.39 0.00 0.00 0.00 179.25 179.40 1yul n GLU 95 N -3.37 1.72 -3.38 0.00 1.02 -0.50 -4.98 120.64 111.15 1yul n GLU 95 Ca -0.02 -1.42 -0.20 0.00 -0.02 0.00 0.00 57.16 55.49 1yul n GLU 95 Cb 0.14 -1.47 -0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1yul n GLU 95 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1yul s LEU 96 N -2.26 3.92 0.50 -4.62 1.43 -0.75 -5.09 118.68 111.80 1yul s LEU 96 Ca 0.23 -0.00 -0.19 0.00 -1.03 0.00 0.00 54.13 53.13 1yul s LEU 96 Cb 0.19 -2.90 -0.08 0.00 0.03 0.00 0.00 46.19 43.43 1yul s LEU 96 CO 0.45 -0.47 1.02 0.00 0.23 0.00 0.00 176.35 177.58 1yul s ALA 97 N -2.27 2.91 0.40 4.21 0.00 -1.26 -4.94 121.76 120.80 1yul s ALA 97 Ca 0.45 0.46 0.13 0.00 0.00 0.00 0.00 51.96 53.00 1yul s ALA 97 Cb -0.10 -3.21 0.96 0.00 0.00 0.00 0.00 23.12 20.77 1yul s ALA 97 CO 0.33 -0.32 1.90 0.00 0.00 0.00 0.00 175.76 177.68 1yul h ALA 98 N 1.30 2.00 -0.22 0.00 0.00 -1.98 -1.65 119.26 118.71 1yul h ALA 98 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1yul h ALA 98 Cb 1.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1yul h ALA 98 CO 0.59 -0.21 0.00 -0.40 0.00 0.00 0.00 179.25 179.23 1yul n ASP 99 N -4.51 2.10 -4.76 0.00 5.75 -1.26 -4.75 116.55 109.12 1yul n ASP 99 Ca 0.15 -1.79 -0.40 0.00 -0.01 0.00 0.00 54.79 52.74 1yul n ASP 99 Cb 0.50 -0.14 -0.03 0.00 -1.03 0.00 0.00 41.12 40.41 1yul n ASP 99 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1yul s ASP 100 N -1.54 7.00 -0.25 -1.12 1.01 -0.62 -4.31 116.67 116.83 1yul s ASP 100 Ca 0.33 2.42 -0.11 0.00 0.71 0.00 0.00 52.55 55.91 1yul s ASP 100 Cb 0.18 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 1yul s ASP 100 CO 0.27 -0.35 0.18 -1.10 0.21 0.00 0.00 175.17 174.38 1yul s GLN 101 N -1.69 4.03 -0.15 8.23 -0.21 0.41 -4.39 119.66 125.90 1yul s GLN 101 Ca 0.48 -0.27 -0.02 0.00 0.02 0.00 0.00 55.36 55.57 1yul s GLN 101 Cb -0.34 -3.58 -0.02 0.00 1.00 0.00 0.00 33.01 30.06 1yul s GLN 101 CO 0.45 -0.03 -0.07 -1.17 -2.12 0.00 0.00 175.29 172.35 1yul s LEU 102 N 1.31 3.05 0.00 2.90 2.96 -0.90 -0.42 118.68 127.58 1yul s LEU 102 Ca 0.08 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 53.78 1yul s LEU 102 Cb -0.14 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.83 1yul s LEU 102 CO 0.07 0.16 0.00 0.49 -1.32 0.00 0.00 176.35 175.75 1yul n PHE 103 N 3.58 0.00 -3.65 5.38 3.01 0.36 -0.83 117.46 125.31 1yul n PHE 103 Ca -0.18 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.22 1yul n PHE 103 Cb 0.52 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.93 1yul n PHE 103 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1yul s LEU 105 N 0.00 -0.91 0.01 4.37 2.96 -0.43 -0.10 118.68 124.58 1yul s LEU 105 Ca 0.00 1.47 -0.03 0.00 -0.22 0.00 0.00 54.13 55.35 1yul s LEU 105 Cb 0.00 2.27 -0.01 0.00 0.50 0.00 0.00 46.19 48.95 1yul s LEU 105 CO 0.00 -0.23 0.05 0.27 -1.32 0.00 0.00 176.35 175.12 1yul s ILE 106 N 1.88 0.09 0.60 6.68 -4.36 -0.33 -4.42 121.20 121.35 1yul s ILE 106 Ca -0.09 -0.78 -0.15 0.00 -0.26 0.00 0.00 60.65 59.37 1yul s ILE 106 Cb -0.07 -0.33 -0.03 0.00 1.25 0.00 0.00 42.46 43.28 1yul s ILE 106 CO -0.19 -0.43 1.05 -0.83 0.24 0.00 0.00 174.94 174.78 1yul s GLY 107 N -1.38 2.03 0.14 6.27 0.00 -1.26 -0.52 107.32 112.59 1yul s GLY 107 Ca -0.15 0.31 -0.20 0.00 0.00 0.00 0.00 44.72 44.68 1yul s GLY 107 CO 0.00 0.62 1.68 -0.25 0.00 0.00 0.00 173.10 175.15 1yul h TRP 108 N 0.27 -0.22 -0.99 1.90 2.91 -1.73 0.14 115.95 118.23 1yul h TRP 108 Ca -0.46 0.02 0.04 0.00 1.13 0.00 0.00 58.89 59.62 1yul h TRP 108 Cb 1.21 0.13 -0.06 0.00 -0.51 0.00 0.00 29.16 29.94 1yul h TRP 108 CO 0.60 -0.15 0.65 -0.44 -1.03 0.00 0.00 178.44 178.07 1yul h ASP 109 N -0.06 1.07 -0.47 2.65 3.32 -1.93 0.50 116.42 121.50 1yul h ASP 109 Ca 0.12 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 1yul h ASP 109 Cb 0.24 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1yul h ASP 109 CO -0.27 0.73 -0.07 0.00 -1.72 0.00 0.00 179.24 177.90 1yul h ALA 110 N 1.43 0.89 -0.71 3.45 0.00 -1.76 -2.94 119.26 119.63 1yul h ALA 110 Ca 0.40 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1yul h ALA 110 Cb 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1yul h ALA 110 CO -0.13 0.64 0.18 0.35 0.00 0.00 0.00 179.25 180.29 1yul h PHE 111 N 0.84 1.19 0.00 0.00 3.57 0.51 -2.52 116.94 120.53 1yul h PHE 111 Ca 0.14 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1yul h PHE 111 Cb 0.60 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1yul h PHE 111 CO 0.04 0.96 0.00 0.00 -2.23 0.00 0.00 178.31 177.08 1yul n GLY 113 N -1.02 2.72 0.29 0.00 0.00 -0.95 -4.68 105.19 101.55 1yul n GLY 113 Ca -0.01 -0.48 0.09 0.00 0.00 0.00 0.00 46.02 45.62 1yul n GLY 113 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1yul h LEU 114 N 2.58 0.21 -0.95 0.99 5.85 -0.99 -0.49 115.31 122.52 1yul h LEU 114 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1yul h LEU 114 Cb 0.80 0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.98 1yul h LEU 114 CO 0.00 0.01 0.11 -2.65 -0.34 0.00 0.00 178.44 175.57 1yul n PRO 115 N -5.07 0.09 0.04 5.25 -0.02 -1.26 -0.62 135.00 133.40 1yul n PRO 115 Ca 0.18 0.57 0.11 0.00 -2.02 0.00 0.00 63.50 62.34 1yul n PRO 115 Cb 0.54 -1.91 0.07 0.00 -0.02 0.00 0.00 33.50 32.17 1yul n PRO 115 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1yul n THR 116 N -2.01 0.23 -2.20 3.45 -2.24 -0.19 -4.88 114.28 106.43 1yul n THR 116 Ca -0.01 -0.26 -0.35 0.00 -2.27 0.00 0.00 64.05 61.16 1yul n THR 116 Cb 0.13 0.10 0.01 0.00 -2.10 0.00 0.00 70.33 68.47 1yul n THR 116 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1yul s TRP 117 N -3.19 2.61 -0.04 4.78 0.52 0.21 -4.93 118.94 118.91 1yul s TRP 117 Ca 0.04 1.54 -0.30 0.00 0.02 0.00 0.00 56.10 57.40 1yul s TRP 117 Cb 0.14 -3.34 -0.07 0.00 -1.15 0.00 0.00 33.47 29.05 1yul s TRP 117 CO 0.78 -1.72 1.91 -1.58 0.02 0.00 0.00 176.95 176.36 1yul s HIS 118 N -1.72 1.46 -1.44 -1.98 2.46 -1.26 -2.30 115.29 110.51 1yul s HIS 118 Ca 0.73 -0.11 -0.10 0.00 0.47 0.00 0.00 55.06 56.05 1yul s HIS 118 Cb -0.26 -4.12 0.05 0.00 -0.13 0.00 0.00 32.58 28.13 1yul s HIS 118 CO 0.29 -4.82 1.03 0.54 -2.47 0.00 0.00 174.74 169.31 1yul n ARG 119 N 7.65 -6.34 -0.30 2.88 1.74 -1.26 -4.51 116.66 116.51 1yul n ARG 119 Ca 0.21 0.69 0.20 0.00 -0.77 0.00 0.00 57.85 58.17 1yul n ARG 119 Cb 0.42 -5.61 0.47 0.00 -1.02 0.00 0.00 32.46 26.73 1yul n ARG 119 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1yul h TRP 120 N -2.27 0.70 0.00 -1.55 5.08 -1.74 -0.25 115.95 115.92 1yul h TRP 120 Ca -0.58 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.41 1yul h TRP 120 Cb 1.37 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 27.32 1yul h TRP 120 CO 0.53 0.12 0.00 0.39 -1.28 0.00 0.00 178.44 178.20 1yul n GLU 121 N -4.61 0.16 0.00 0.12 1.02 -1.26 -2.20 120.64 113.87 1yul n GLU 121 Ca 0.23 0.50 0.12 0.00 -0.02 0.00 0.00 57.16 57.99 1yul n GLU 121 Cb 0.76 -1.89 0.18 0.00 -0.02 0.00 0.00 31.44 30.47 1yul n GLU 121 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yul n ALA 122 N -1.76 3.76 0.12 0.62 0.00 -0.10 -4.43 120.51 118.71 1yul n ALA 122 Ca 0.01 -0.42 -0.13 0.00 0.00 0.00 0.00 53.44 52.90 1yul n ALA 122 Cb 0.15 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 1yul n ALA 122 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1yul h LEU 123 N 0.21 -0.70 0.00 0.00 3.38 -1.54 -2.16 115.31 114.51 1yul h LEU 123 Ca 0.00 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1yul h LEU 123 Cb 0.51 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1yul h LEU 123 CO 0.00 -0.34 0.00 0.18 0.09 0.00 0.00 178.44 178.37 1yul n LEU 124 N -5.37 0.00 0.18 1.67 4.77 -1.26 -1.67 117.00 115.32 1yul n LEU 124 Ca -0.07 0.19 0.04 0.00 -0.03 0.00 0.00 56.01 56.14 1yul n LEU 124 Cb 0.28 -0.19 0.33 0.00 -2.33 0.00 0.00 43.42 41.51 1yul n LEU 124 CO 0.26 -0.16 0.67 0.44 -1.33 0.00 0.00 177.39 177.26 1yul h ASP 125 N 0.00 0.00 -0.00 -1.43 5.19 -1.66 -1.10 116.42 117.42 1yul h ASP 125 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1yul h ASP 125 Cb 0.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.54 1yul h ASP 125 CO 0.00 0.42 -0.19 1.41 -3.12 0.00 0.00 179.24 177.76 1yul n HIS 126 N -3.76 0.00 -3.83 4.55 8.25 -0.67 -4.79 115.22 114.97 1yul n HIS 126 Ca -0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.38 1yul n HIS 126 Cb 0.49 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.61 1yul n HIS 126 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yul s HIS 128 N -2.54 3.36 -0.20 0.00 0.09 -0.01 -0.22 115.29 115.78 1yul s HIS 128 Ca 0.16 0.16 -0.04 0.00 -0.00 0.00 0.00 55.06 55.34 1yul s HIS 128 Cb -0.04 -1.68 -0.02 0.00 -0.00 0.00 0.00 32.58 30.84 1yul s HIS 128 CO 0.09 0.55 -0.03 0.42 -0.00 0.00 0.00 174.74 175.77 1yul s ILE 129 N -1.48 3.62 -0.27 0.60 1.01 -0.10 -4.35 121.20 120.23 1yul s ILE 129 Ca 0.32 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.47 1yul s ILE 129 Cb -0.12 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 1yul s ILE 129 CO 0.25 0.44 0.08 -0.69 0.00 0.00 0.00 174.94 175.02 1yul s VAL 130 N 1.06 4.22 -0.27 2.92 1.01 -1.26 -1.81 120.40 126.26 1yul s VAL 130 Ca 0.01 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 1yul s VAL 130 Cb -0.15 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.14 1yul s VAL 130 CO 0.00 0.24 0.20 -0.69 0.00 0.00 0.00 175.10 174.86 1yul s VAL 131 N 1.58 5.30 -0.34 2.92 1.01 -0.24 -1.18 120.40 129.46 1yul s VAL 131 Ca 0.05 0.21 -0.24 0.00 0.00 0.00 0.00 61.98 62.00 1yul s VAL 131 Cb -0.16 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1yul s VAL 131 CO 0.03 0.25 0.83 -0.22 0.00 0.00 0.00 175.10 176.00 1yul s LEU 132 N 1.71 4.07 -0.08 3.92 2.96 0.32 -1.17 118.68 130.41 1yul s LEU 132 Ca 0.08 0.58 -0.02 0.00 -0.22 0.00 0.00 54.13 54.55 1yul s LEU 132 Cb -0.16 -3.13 -0.03 0.00 0.50 0.00 0.00 46.19 43.37 1yul s LEU 132 CO 0.10 -0.71 0.02 -1.10 -1.32 0.00 0.00 176.35 173.34 1yul s GLN 133 N 3.15 3.04 0.16 1.98 -0.21 -0.22 -1.90 119.66 125.65 1yul s GLN 133 Ca 0.34 -0.38 0.01 0.00 0.02 0.00 0.00 55.36 55.35 1yul s GLN 133 Cb -0.13 -2.84 -0.04 0.00 1.00 0.00 0.00 33.01 30.99 1yul s GLN 133 CO 0.15 0.71 0.01 -0.98 -2.12 0.00 0.00 175.29 173.05 1yul s ARG 134 N -0.98 1.06 0.46 2.91 1.70 -1.26 -2.38 118.95 120.46 1yul s ARG 134 Ca 0.14 -1.50 0.37 0.00 -0.47 0.00 0.00 55.73 54.27 1yul s ARG 134 Cb -0.11 -0.19 1.53 0.00 -0.57 0.00 0.00 34.95 35.61 1yul s ARG 134 CO 0.04 -0.14 1.52 -2.30 -1.08 0.00 0.00 175.30 173.34 1yul n PRO 135 N -0.20 -0.02 -3.29 3.89 -0.02 -1.26 -3.03 135.00 131.06 1yul n PRO 135 Ca -0.07 1.17 -0.46 0.00 -2.02 0.00 0.00 63.50 62.12 1yul n PRO 135 Cb 0.63 -2.42 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 1yul n PRO 135 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1yul s ASP 136 N -4.15 6.83 -0.24 2.55 2.15 -1.26 -4.97 116.67 117.58 1yul s ASP 136 Ca -0.06 -2.76 -0.28 0.00 0.43 0.00 0.00 52.55 49.87 1yul s ASP 136 Cb 0.29 -2.23 0.16 0.00 -0.30 0.00 0.00 42.92 40.84 1yul s ASP 136 CO 0.82 -0.58 1.18 0.00 -0.17 0.00 0.00 175.17 176.42 1yul s ALA 137 N 0.20 -2.04 -0.60 3.66 0.00 -1.17 -5.01 121.76 116.80 1yul s ALA 137 Ca 0.21 1.74 -0.17 0.00 0.00 0.00 0.00 51.96 53.74 1yul s ALA 137 Cb -0.09 -1.22 0.12 0.00 0.00 0.00 0.00 23.12 21.93 1yul s ALA 137 CO -0.09 -0.25 0.65 0.16 0.00 0.00 0.00 175.76 176.23 1yul s ASP 138 N -0.74 6.24 -0.35 0.00 -4.77 -1.26 -4.97 116.67 110.82 1yul s ASP 138 Ca 0.04 -1.68 -0.28 0.00 -3.30 0.00 0.00 52.55 47.33 1yul s ASP 138 Cb -0.02 -2.26 -0.30 0.00 -1.09 0.00 0.00 42.92 39.25 1yul s ASP 138 CO -0.05 -0.98 1.74 -0.24 0.70 0.00 0.00 175.17 176.34 1yul n SER 139 N 5.76 1.54 -3.03 2.11 2.88 -1.26 -4.52 113.62 117.10 1yul n SER 139 Ca -0.08 -2.56 0.01 0.00 -1.33 0.00 0.00 58.87 54.91 1yul n SER 139 Cb 0.42 -0.82 -0.00 0.00 -0.75 0.00 0.00 64.21 63.06 1yul n SER 139 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1yul s GLU 140 N 6.53 0.62 0.69 -1.46 -1.05 -1.26 -5.16 118.70 117.61 1yul s GLU 140 Ca 0.67 -0.25 -0.15 0.00 -0.15 0.00 0.00 54.97 55.09 1yul s GLU 140 Cb 0.13 0.06 0.02 0.00 -0.44 0.00 0.00 34.13 33.90 1yul s GLU 140 CO 0.26 -0.88 1.18 -1.25 0.95 0.00 0.00 175.26 175.52 1yul s PRO 141 N 1.80 2.42 0.71 -4.83 0.04 -1.26 -5.00 135.00 128.88 1yul s PRO 141 Ca 0.17 1.65 -0.14 0.00 0.04 0.00 0.00 61.00 62.72 1yul s PRO 141 Cb -0.01 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.68 1yul s PRO 141 CO -0.09 -1.59 1.13 -1.25 0.04 0.00 0.00 177.00 175.23 1yul s PRO 142 N -3.91 2.43 0.41 0.56 0.04 -1.26 -4.91 135.00 128.37 1yul s PRO 142 Ca 0.72 1.43 0.14 0.00 0.04 0.00 0.00 61.00 63.33 1yul s PRO 142 Cb -0.26 -1.90 1.00 0.00 0.04 0.00 0.00 34.50 33.37 1yul s PRO 142 CO 0.43 -1.54 1.91 1.49 0.04 0.00 0.00 177.00 179.32 1yul h GLU 143 N -0.40 0.47 -0.19 4.56 4.57 -1.99 -1.66 114.58 119.94 1yul h GLU 143 Ca -0.46 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 57.75 1yul h GLU 143 Cb 1.25 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1yul h GLU 143 CO 0.52 0.31 0.29 0.66 -1.18 0.00 0.00 179.01 179.60 1yul h SER 144 N 0.48 0.00 -0.02 1.04 4.64 -1.99 -1.53 113.55 116.17 1yul h SER 144 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1yul h SER 144 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1yul h SER 144 CO -0.14 0.00 -0.21 0.18 -0.87 0.00 0.00 176.83 175.79 1yul n LEU 145 N -3.51 2.03 -0.16 5.97 4.77 -0.62 -4.65 117.00 120.83 1yul n LEU 145 Ca 0.02 -0.86 -0.02 0.00 -0.03 0.00 0.00 56.01 55.11 1yul n LEU 145 Cb 0.40 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.55 1yul n LEU 145 CO 0.24 0.37 0.82 -0.09 -1.33 0.00 0.00 177.39 177.40 1yul h ARG 146 N 2.58 0.08 -0.14 3.23 2.43 -1.31 -1.54 114.38 119.72 1yul h ARG 146 Ca 0.00 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1yul h ARG 146 Cb 0.65 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.18 1yul h ARG 146 CO 0.00 0.05 -0.02 0.22 -1.51 0.00 0.00 179.97 178.72 1yul h ASP 147 N 0.08 0.26 -0.48 -3.80 3.58 -1.82 -1.98 116.42 112.26 1yul h ASP 147 Ca 0.25 -0.34 0.09 0.00 0.42 0.00 0.00 57.03 57.45 1yul h ASP 147 Cb 0.37 -0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.28 1yul h ASP 147 CO -0.44 0.54 0.02 0.25 -2.88 0.00 0.00 179.24 176.73 1yul h LEU 148 N -0.03 -0.15 -1.03 2.28 5.85 -1.77 0.25 115.31 120.71 1yul h LEU 148 Ca 0.04 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1yul h LEU 148 Cb 0.41 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1yul h LEU 148 CO 0.01 -0.04 0.27 -0.07 -0.34 0.00 0.00 178.44 178.26 1yul h LEU 149 N 0.14 0.88 -0.84 2.25 3.38 -1.24 0.41 115.31 120.29 1yul h LEU 149 Ca 0.24 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1yul h LEU 149 Cb 0.35 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1yul h LEU 149 CO -0.38 0.78 -0.15 0.00 0.09 0.00 0.00 178.44 178.78 1yul h ALA 150 N 1.35 1.02 0.00 1.53 0.00 -0.33 -1.30 119.26 121.53 1yul h ALA 150 Ca 0.22 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1yul h ALA 150 Cb 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1yul h ALA 150 CO -0.02 0.59 -1.24 0.00 0.00 0.00 0.00 179.25 178.58 1yul h ALA 151 N 1.20 0.62 0.00 0.00 0.00 0.08 -3.42 119.26 117.74 1yul h ALA 151 Ca 0.10 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1yul h ALA 151 Cb 0.61 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1yul h ALA 151 CO 0.04 1.15 -0.09 0.54 0.00 0.00 0.00 179.25 180.89 1yul n ARG 152 N -3.11 5.94 -2.71 0.00 5.12 0.14 -5.07 116.66 116.97 1yul n ARG 152 Ca -0.07 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.51 1yul n ARG 152 Cb 0.91 -0.52 -0.06 0.00 -1.16 0.00 0.00 32.46 31.64 1yul n ARG 152 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1yul s SER 153 N -1.03 6.80 0.08 0.55 1.04 -0.49 -0.79 113.70 119.86 1yul s SER 153 Ca 0.00 1.82 0.04 0.00 0.48 0.00 0.00 55.95 58.29 1yul s SER 153 Cb 0.00 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.53 1yul s SER 153 CO 0.00 -0.46 -0.11 0.68 0.98 0.00 0.00 173.24 174.33 1yul s VAL 154 N -1.99 0.96 0.11 5.02 -7.23 0.36 -4.86 120.40 112.76 1yul s VAL 154 Ca 0.62 -1.42 -0.28 0.00 -1.81 0.00 0.00 61.98 59.09 1yul s VAL 154 Cb -0.14 -1.13 -0.09 0.00 0.56 0.00 0.00 36.38 35.58 1yul s VAL 154 CO 0.18 -0.40 1.63 0.00 -0.31 0.00 0.00 175.10 176.20 1yul h ALA 155 N 3.99 -0.48 -2.23 1.32 0.00 -1.96 -3.41 119.26 116.48 1yul h ALA 155 Ca -0.38 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.16 1yul h ALA 155 Cb 1.19 0.44 -0.15 0.00 0.00 0.00 0.00 17.79 19.28 1yul h ALA 155 CO 0.46 -0.82 -0.69 0.16 0.00 0.00 0.00 179.25 178.36 1yul s ASP 156 N -4.80 1.59 0.35 0.00 -4.77 -1.26 -4.63 116.67 103.16 1yul s ASP 156 Ca -0.16 -1.08 0.11 0.00 -3.30 0.00 0.00 52.55 48.12 1yul s ASP 156 Cb 0.08 0.03 0.88 0.00 -1.09 0.00 0.00 42.92 42.83 1yul s ASP 156 CO 0.65 -0.43 1.81 -0.65 0.70 0.00 0.00 175.17 177.25 1yul h PRO 157 N 2.73 0.60 0.00 2.11 0.11 -1.88 0.53 132.00 136.20 1yul h PRO 157 Ca -0.37 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1yul h PRO 157 Cb 1.20 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 1yul h PRO 157 CO 0.64 0.40 -0.06 1.96 -0.21 0.00 0.00 178.00 180.72 1yul h GLN 158 N 0.62 0.00 -0.00 1.05 1.08 -1.96 -1.48 115.11 114.42 1yul h GLN 158 Ca 0.53 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.73 1yul h GLN 158 Cb 1.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 1yul h GLN 158 CO -0.29 0.06 -0.02 0.00 -0.95 0.00 0.00 178.83 177.63 1yul n ALA 159 N -2.28 2.47 -2.06 3.87 0.00 0.18 -4.79 120.51 117.89 1yul n ALA 159 Ca -0.02 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 1yul n ALA 159 Cb 0.17 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.13 1yul n ALA 159 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yul s LEU 160 N -2.75 4.34 0.02 0.00 1.43 -0.56 -4.99 118.68 116.17 1yul s LEU 160 Ca 0.22 2.31 0.07 0.00 -1.03 0.00 0.00 54.13 55.71 1yul s LEU 160 Cb 0.20 -3.56 -0.02 0.00 0.03 0.00 0.00 46.19 42.83 1yul s LEU 160 CO 0.50 -0.81 -0.22 -0.75 0.23 0.00 0.00 176.35 175.30 1yul s LYS 161 N 2.59 1.56 0.59 1.70 2.20 -1.26 -5.08 119.74 122.04 1yul s LYS 161 Ca 0.69 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 1yul s LYS 161 Cb -0.36 -1.63 0.00 0.00 -1.51 0.00 0.00 37.83 34.34 1yul s LYS 161 CO 0.30 0.43 0.00 0.41 -0.36 0.00 0.00 175.35 176.12 1yul n GLY 162 N 2.07 -2.13 0.30 5.54 0.00 -1.26 -4.41 105.19 105.30 1yul n GLY 162 Ca -0.17 -1.45 0.04 0.00 0.00 0.00 0.00 46.02 44.44 1yul n GLY 162 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1yul h PRO 163 N 0.00 0.52 0.00 1.61 0.11 -1.83 -3.43 132.00 128.97 1yul h PRO 163 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1yul h PRO 163 Cb 0.04 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1yul h PRO 163 CO 0.00 0.35 0.00 0.41 -0.21 0.00 0.00 178.00 178.55 1yul n GLY 164 N -1.44 -0.66 0.00 -0.55 0.00 -1.26 -2.11 105.19 99.16 1yul n GLY 164 Ca 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1yul n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yul n GLY 165 N 0.00 2.24 3.55 -0.02 0.00 0.70 -4.78 105.19 106.88 1yul n GLY 165 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1yul n GLY 165 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yul s GLN 166 N -0.78 1.91 -0.03 1.61 -0.21 -1.26 -4.83 119.66 116.07 1yul s GLN 166 Ca 0.00 -1.71 0.06 0.00 0.02 0.00 0.00 55.36 53.73 1yul s GLN 166 Cb 0.00 -1.88 -0.01 0.00 1.00 0.00 0.00 33.01 32.12 1yul s GLN 166 CO 0.00 0.28 -0.21 0.42 -2.12 0.00 0.00 175.29 173.66 1yul s ILE 167 N -2.48 1.68 0.13 1.08 1.01 0.03 -0.92 121.20 121.72 1yul s ILE 167 Ca 0.32 -0.89 -0.06 0.00 0.00 0.00 0.00 60.65 60.02 1yul s ILE 167 Cb -0.03 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 1yul s ILE 167 CO 0.17 0.47 0.18 0.28 0.00 0.00 0.00 174.94 176.04 1yul s THR 168 N -0.30 0.10 0.04 2.92 -1.32 -0.75 -0.49 115.64 115.84 1yul s THR 168 Ca 0.03 -1.54 0.08 0.00 -1.21 0.00 0.00 61.69 59.05 1yul s THR 168 Cb -0.10 -1.79 -0.03 0.00 -1.51 0.00 0.00 72.50 69.07 1yul s THR 168 CO 0.01 -0.46 -0.21 -0.36 -2.21 0.00 0.00 174.62 171.38 1yul s PHE 169 N -3.97 2.46 0.13 9.09 0.40 -1.26 -1.07 117.98 123.76 1yul s PHE 169 Ca 0.16 -0.32 0.06 0.00 -0.60 0.00 0.00 56.93 56.23 1yul s PHE 169 Cb 0.05 -1.44 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 1yul s PHE 169 CO -0.02 0.20 -0.14 0.14 0.70 0.00 0.00 175.22 176.10 1yul s VAL 170 N -0.87 1.33 -0.10 -0.44 -7.23 -0.32 -4.78 120.40 107.99 1yul s VAL 170 Ca 0.13 -1.77 -0.02 0.00 -1.81 0.00 0.00 61.98 58.52 1yul s VAL 170 Cb -0.10 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 1yul s VAL 170 CO 0.04 -0.46 -0.03 0.86 -0.31 0.00 0.00 175.10 175.21 1yul s TRP 171 N -2.29 3.07 -0.02 2.82 -0.11 -1.26 -1.05 118.94 120.09 1yul s TRP 171 Ca 0.10 0.04 -0.13 0.00 1.22 0.00 0.00 56.10 57.32 1yul s TRP 171 Cb -0.04 -1.81 0.02 0.00 -1.50 0.00 0.00 33.47 30.14 1yul s TRP 171 CO 0.03 0.31 0.29 -0.65 -4.62 0.00 0.00 176.95 172.31 1yul s GLN 172 N -0.56 0.61 -0.75 5.86 -0.21 -1.00 -4.97 119.66 118.65 1yul s GLN 172 Ca 0.09 -0.15 0.02 0.00 0.02 0.00 0.00 55.36 55.34 1yul s GLN 172 Cb -0.12 0.27 0.18 0.00 1.00 0.00 0.00 33.01 34.34 1yul s GLN 172 CO 0.02 -0.16 0.57 0.99 -2.12 0.00 0.00 175.29 174.59 1yul s THR 173 N -1.16 3.50 0.39 -0.19 2.01 -1.26 -4.33 115.64 114.60 1yul s THR 173 Ca -0.12 -3.88 -0.28 0.00 0.31 0.00 0.00 61.69 57.72 1yul s THR 173 Cb -0.05 -3.25 -0.11 0.00 0.01 0.00 0.00 72.50 69.10 1yul s THR 173 CO 0.03 -1.00 1.48 -2.16 -0.69 0.00 0.00 174.62 172.29 1yul s PRO 174 N -1.14 4.03 0.38 4.92 0.04 -1.26 -4.94 135.00 137.04 1yul s PRO 174 Ca 0.24 2.56 -0.28 0.00 0.04 0.00 0.00 61.00 63.57 1yul s PRO 174 Cb -0.10 -2.92 -0.11 0.00 0.04 0.00 0.00 34.50 31.42 1yul s PRO 174 CO -0.12 -0.59 1.45 1.28 0.04 0.00 0.00 177.00 179.06 1yul n LEU 175 N 0.34 4.64 -3.96 -3.56 4.77 -1.26 -4.81 117.00 113.16 1yul n LEU 175 Ca 0.02 1.21 -0.40 0.00 -0.03 0.00 0.00 56.01 56.81 1yul n LEU 175 Cb 0.39 -1.60 -0.04 0.00 -2.33 0.00 0.00 43.42 39.84 1yul n LEU 175 CO 0.63 0.03 2.06 0.00 -1.33 0.00 0.00 177.39 178.78 1yul n ALA 176 N 0.34 3.38 -2.90 -1.18 0.00 -1.26 -4.74 120.51 114.15 1yul n ALA 176 Ca 0.02 -3.40 -0.18 0.00 0.00 0.00 0.00 53.44 49.88 1yul n ALA 176 Cb 0.39 -3.58 -0.15 0.00 0.00 0.00 0.00 19.45 16.11 1yul n ALA 176 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yul s VAL 177 N 6.01 0.56 0.03 0.00 1.01 -1.26 -5.10 120.40 121.64 1yul s VAL 177 Ca 0.58 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.31 1yul s VAL 177 Cb 0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 1yul s VAL 177 CO 0.08 0.17 -0.07 -0.94 0.00 0.00 0.00 175.10 174.35 1yul s SER 178 N 0.05 0.75 0.30 3.32 1.04 -1.26 -4.77 113.70 113.13 1yul s SER 178 Ca -0.00 -0.47 -0.01 0.00 0.48 0.00 0.00 55.95 55.94 1yul s SER 178 Cb -0.05 0.03 0.47 0.00 0.10 0.00 0.00 66.02 66.56 1yul s SER 178 CO -0.00 -0.17 1.92 0.00 0.98 0.00 0.00 173.24 175.96 1yul h ALA 179 N 4.74 1.36 -0.42 5.32 0.00 -1.88 -1.01 119.26 127.38 1yul h ALA 179 Ca -0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1yul h ALA 179 Cb 1.20 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1yul h ALA 179 CO 0.42 0.52 0.22 1.15 0.00 0.00 0.00 179.25 181.56 1yul h THR 180 N 0.94 1.16 -0.50 0.00 2.02 -1.96 0.85 112.91 115.43 1yul h THR 180 Ca 0.24 -0.44 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1yul h THR 180 Cb 0.05 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1yul h THR 180 CO -0.04 0.17 0.32 -0.61 0.37 0.00 0.00 175.52 175.74 1yul h GLN 181 N 0.54 0.64 -0.42 6.66 4.15 -1.86 -1.65 115.11 123.17 1yul h GLN 181 Ca 0.15 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 1yul h GLN 181 Cb 0.08 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1yul h GLN 181 CO -0.02 0.42 0.14 0.82 -1.93 0.00 0.00 178.83 178.25 1yul h ILE 182 N 0.65 1.22 -0.67 2.39 2.04 -0.75 -1.77 117.51 120.62 1yul h ILE 182 Ca 0.19 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1yul h ILE 182 Cb -0.06 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 1yul h ILE 182 CO -0.05 0.25 0.33 0.03 0.00 0.00 0.00 178.15 178.72 1yul h ARG 183 N 0.54 0.95 -0.44 2.37 3.08 -0.65 -1.49 114.38 118.74 1yul h ARG 183 Ca 0.14 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1yul h ARG 183 Cb 0.26 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1yul h ARG 183 CO -0.00 0.73 0.17 0.00 -1.07 0.00 0.00 179.97 179.79 1yul h ALA 184 N 1.42 0.57 -0.36 0.04 0.00 -0.96 -0.39 119.26 119.58 1yul h ALA 184 Ca 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1yul h ALA 184 Cb 0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1yul h ALA 184 CO -0.03 0.19 0.19 -0.07 0.00 0.00 0.00 179.25 179.53 1yul h LEU 185 N 0.57 0.45 -1.00 0.00 3.38 -0.88 -2.39 115.31 115.45 1yul h LEU 185 Ca 0.15 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1yul h LEU 185 Cb 0.21 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1yul h LEU 185 CO -0.01 0.41 0.12 -0.07 0.09 0.00 0.00 178.44 178.98 1yul h LEU 186 N 0.45 0.79 -1.75 1.67 3.38 -1.13 -0.02 115.31 118.70 1yul h LEU 186 Ca 0.13 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1yul h LEU 186 Cb 0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1yul h LEU 186 CO -0.02 0.78 0.18 1.23 0.09 0.00 0.00 178.44 180.70 1yul h GLY 187 N 0.98 0.36 -1.35 0.83 0.00 -0.70 -0.78 103.07 102.42 1yul h GLY 187 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1yul h GLY 187 CO 0.00 0.13 0.00 0.00 0.00 0.00 0.00 176.54 176.67 1yul n ALA 188 N -2.50 2.46 -1.45 3.60 0.00 -0.76 -4.92 120.51 116.94 1yul n ALA 188 Ca 0.01 -0.68 -0.09 0.00 0.00 0.00 0.00 53.44 52.68 1yul n ALA 188 Cb 0.08 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1yul n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yul n GLY 189 N 1.18 0.85 3.94 0.00 0.00 -0.30 -5.02 105.19 105.84 1yul n GLY 189 Ca 0.15 -0.61 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 1yul n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yul s ARG 190 N -3.11 3.51 0.10 1.61 0.52 -0.09 -5.00 118.95 116.48 1yul s ARG 190 Ca 0.00 -0.37 -0.30 0.00 -0.52 0.00 0.00 55.73 54.54 1yul s ARG 190 Cb 0.00 -2.77 -0.06 0.00 0.52 0.00 0.00 34.95 32.64 1yul s ARG 190 CO 0.00 0.31 1.03 0.45 0.02 0.00 0.00 175.30 177.11 1yul s SER 191 N -3.55 7.35 -0.15 0.23 0.15 -1.26 -4.13 113.70 112.34 1yul s SER 191 Ca 0.39 1.87 0.15 0.00 0.70 0.00 0.00 55.95 59.06 1yul s SER 191 Cb -0.10 -2.59 0.55 0.00 -1.71 0.00 0.00 66.02 62.17 1yul s SER 191 CO 0.31 -0.21 1.46 1.33 1.20 0.00 0.00 173.24 177.34 1yul n VAL 192 N 3.09 2.09 -1.70 4.45 0.24 -1.26 -5.00 118.33 120.25 1yul n VAL 192 Ca 0.04 -1.60 -0.42 0.00 -2.04 0.00 0.00 64.34 60.31 1yul n VAL 192 Cb 0.48 -0.09 -0.00 0.00 -1.47 0.00 0.00 33.84 32.76 1yul n VAL 192 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1yul n ARG 193 N -0.03 2.08 -0.93 7.34 0.63 -1.26 -1.02 116.66 123.47 1yul n ARG 193 Ca 0.21 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.87 1yul n ARG 193 Cb 0.86 -2.33 0.00 0.00 0.45 0.00 0.00 32.46 31.44 1yul n ARG 193 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1yul n PHE 194 N 0.24 0.00 0.23 -0.14 0.99 -1.26 -4.75 117.46 112.77 1yul n PHE 194 Ca 0.05 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.56 1yul n PHE 194 Cb 0.37 -0.72 -0.08 0.00 -1.00 0.00 0.00 39.48 38.04 1yul n PHE 194 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1yul n LEU 195 N 0.00 0.23 -4.18 4.37 4.77 -0.19 -4.96 117.00 117.04 1yul n LEU 195 Ca 0.00 -0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 55.66 1yul n LEU 195 Cb 0.13 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 1yul n LEU 195 CO 0.00 0.06 -0.37 0.68 -1.33 0.00 0.00 177.39 176.43 1yul s VAL 196 N -2.56 0.65 0.62 4.08 -7.23 -1.21 -1.47 120.40 113.29 1yul s VAL 196 Ca -0.01 -1.94 -0.19 0.00 -1.81 0.00 0.00 61.98 58.03 1yul s VAL 196 Cb 0.08 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 1yul s VAL 196 CO 0.50 -0.76 1.30 -2.65 -0.31 0.00 0.00 175.10 173.18 1yul n PRO 197 N -0.09 1.27 -0.29 4.82 -0.02 -1.26 -4.72 135.00 134.71 1yul n PRO 197 Ca -0.10 0.49 0.05 0.00 -2.02 0.00 0.00 63.50 61.91 1yul n PRO 197 Cb 0.62 -2.53 0.19 0.00 -0.02 0.00 0.00 33.50 31.76 1yul n PRO 197 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1yul h ASP 198 N 0.78 0.57 -0.32 2.55 3.32 -1.99 0.16 116.42 121.48 1yul h ASP 198 Ca -0.51 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.57 1yul h ASP 198 Cb 1.33 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 1yul h ASP 198 CO 0.54 0.28 0.08 0.00 -1.72 0.00 0.00 179.24 178.42 1yul h ALA 199 N 1.50 1.38 -0.33 3.45 0.00 -1.90 -0.24 119.26 123.14 1yul h ALA 199 Ca 0.42 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 1yul h ALA 199 Cb 0.51 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1yul h ALA 199 CO -0.31 0.44 -0.49 0.28 0.00 0.00 0.00 179.25 179.17 1yul h VAL 200 N 0.59 1.27 -0.11 0.00 2.07 -1.40 -2.15 116.25 116.53 1yul h VAL 200 Ca 0.13 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 66.00 1yul h VAL 200 Cb 0.26 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1yul h VAL 200 CO -0.00 0.55 0.04 0.25 0.02 0.00 0.00 177.57 178.43 1yul h LEU 201 N 0.71 0.05 -1.27 2.57 7.12 -0.42 -0.15 115.31 123.92 1yul h LEU 201 Ca 0.03 0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.06 1yul h LEU 201 Cb 1.09 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 41.19 1yul h LEU 201 CO 0.11 0.05 0.50 0.78 -0.13 0.00 0.00 178.44 179.75 1yul h ASN 202 N 0.10 0.84 -0.29 1.25 2.35 -1.00 -0.82 115.58 118.00 1yul h ASN 202 Ca 0.04 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 1yul h ASN 202 Cb 0.02 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1yul h ASN 202 CO -0.04 0.60 -0.15 0.22 -1.65 0.00 0.00 177.43 176.42 1yul h TYR 203 N 0.99 0.71 -0.69 1.19 5.03 -0.88 0.80 116.97 124.13 1yul h TYR 203 Ca 0.28 -0.18 0.00 0.00 2.58 0.00 0.00 58.73 61.42 1yul h TYR 203 Cb -0.07 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.01 1yul h TYR 203 CO -0.00 0.85 0.45 0.82 -1.32 0.00 0.00 178.16 178.96 1yul h ILE 204 N 0.37 1.18 -0.11 1.81 2.04 -0.51 -1.40 117.51 120.89 1yul h ILE 204 Ca 0.07 -0.35 -0.21 0.00 1.00 0.00 0.00 64.86 65.37 1yul h ILE 204 Cb 0.67 0.18 0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1yul h ILE 204 CO 0.04 0.18 -0.77 -0.33 0.00 0.00 0.00 178.15 177.28 1yul h GLU 205 N 0.94 0.71 -0.36 2.37 5.08 -1.09 -0.35 114.58 121.88 1yul h GLU 205 Ca 0.25 -0.62 -0.06 0.00 -1.00 0.00 0.00 59.36 57.94 1yul h GLU 205 Cb -0.09 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1yul h GLU 205 CO -0.05 1.23 -0.01 0.00 -1.00 0.00 0.00 179.01 179.17 1yul h ALA 206 N 0.50 1.31 -0.57 3.43 0.00 -0.69 -2.55 119.26 120.68 1yul h ALA 206 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1yul h ALA 206 Cb 1.41 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1yul h ALA 206 CO 0.16 0.47 0.00 0.72 0.00 0.00 0.00 179.25 180.60 1yul n HIS 207 N -4.26 0.76 -3.99 0.00 8.25 -0.54 -4.99 115.22 110.45 1yul n HIS 207 Ca 0.02 -0.43 -0.43 0.00 -0.26 0.00 0.00 57.72 56.61 1yul n HIS 207 Cb 0.26 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.39 1yul n HIS 207 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1yul n HIS 208 N 1.40 -1.52 -3.04 4.41 -0.00 -0.32 -4.94 115.22 111.21 1yul n HIS 208 Ca 0.21 0.17 -0.28 0.00 -0.00 0.00 0.00 57.72 57.82 1yul n HIS 208 Cb 0.58 -2.91 -0.02 0.00 -0.00 0.00 0.00 29.99 27.64 1yul n HIS 208 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yul s LEU 209 N -7.16 3.88 -1.50 2.41 1.43 -0.29 -4.20 118.68 113.25 1yul s LEU 209 Ca 0.47 0.84 -0.02 0.00 -1.03 0.00 0.00 54.13 54.38 1yul s LEU 209 Cb -0.24 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.27 1yul s LEU 209 CO 0.95 -0.36 0.31 -1.22 0.23 0.00 0.00 176.35 176.26 1yul n TYR 210 N -1.48 -1.39 -0.74 0.29 4.02 -1.26 -4.92 117.16 111.67 1yul n TYR 210 Ca -0.01 0.27 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1yul n TYR 210 Cb 0.55 -3.97 0.00 0.00 -0.02 0.00 0.00 39.34 35.89 1yul n TYR 210 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72