#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y7h s GLY 4 N 0.00 1.68 0.07 0.62 0.00 -1.26 -4.99 107.32 103.44 1y7h s GLY 4 Ca 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 44.72 43.86 1y7h s GLY 4 CO 0.00 -0.09 0.26 0.54 0.00 0.00 0.00 173.10 173.81 1y7h s LYS 5 N 0.37 3.51 -0.34 2.90 -0.14 -1.26 -4.89 119.74 119.89 1y7h s LYS 5 Ca -0.06 -0.27 -0.18 0.00 -1.36 0.00 0.00 55.97 54.10 1y7h s LYS 5 Cb -0.15 -3.00 -0.01 0.00 -1.68 0.00 0.00 37.83 33.00 1y7h s LYS 5 CO 0.04 0.58 0.52 -1.58 -0.76 0.00 0.00 175.35 174.14 1y7h s HIS 6 N -1.50 3.19 -0.35 3.18 5.65 -1.26 -2.72 115.29 121.49 1y7h s HIS 6 Ca 0.35 0.24 -0.20 0.00 0.25 0.00 0.00 55.06 55.70 1y7h s HIS 6 Cb -0.13 -2.90 -0.00 0.00 -1.18 0.00 0.00 32.58 28.37 1y7h s HIS 6 CO 0.24 -0.51 0.61 -0.06 -0.65 0.00 0.00 174.74 174.37 1y7h s PHE 7 N 2.39 3.16 -0.46 3.88 0.08 0.39 -1.30 117.98 126.13 1y7h s PHE 7 Ca 0.19 0.35 -0.16 0.00 0.12 0.00 0.00 56.93 57.43 1y7h s PHE 7 Cb -0.15 -3.08 0.05 0.00 -0.57 0.00 0.00 43.02 39.27 1y7h s PHE 7 CO 0.13 -0.59 0.39 0.08 -0.10 0.00 0.00 175.22 175.13 1y7h s VAL 8 N 2.63 5.20 -0.21 -0.44 1.01 -0.75 -0.69 120.40 127.15 1y7h s VAL 8 Ca 0.23 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 1y7h s VAL 8 Cb -0.15 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1y7h s VAL 8 CO 0.14 -0.52 0.55 -0.76 0.00 0.00 0.00 175.10 174.51 1y7h s LEU 9 N 1.77 4.14 -0.23 3.92 1.43 -0.15 -2.20 118.68 127.36 1y7h s LEU 9 Ca 0.06 0.70 0.01 0.00 -1.03 0.00 0.00 54.13 53.87 1y7h s LEU 9 Cb -0.22 -2.75 0.03 0.00 0.03 0.00 0.00 46.19 43.28 1y7h s LEU 9 CO 0.08 -0.22 -0.13 -0.69 0.23 0.00 0.00 176.35 175.63 1y7h s VAL 10 N 1.78 2.39 0.85 -1.59 1.01 0.30 -3.51 120.40 121.63 1y7h s VAL 10 Ca 0.25 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 60.96 1y7h s VAL 10 Cb -0.16 -2.19 0.10 0.00 0.00 0.00 0.00 36.38 34.13 1y7h s VAL 10 CO 0.10 0.26 1.10 -1.38 0.00 0.00 0.00 175.10 175.18 1y7h s HIS 11 N 1.25 2.60 0.00 5.22 -3.43 -1.26 -1.29 115.29 118.38 1y7h s HIS 11 Ca -0.00 1.16 0.00 0.00 -0.80 0.00 0.00 55.06 55.42 1y7h s HIS 11 Cb -0.16 -3.16 0.00 0.00 -1.43 0.00 0.00 32.58 27.83 1y7h s HIS 11 CO -0.08 -2.07 0.00 0.41 -2.00 0.00 0.00 174.74 171.01 1y7h n GLY 12 N -1.73 0.53 3.74 -1.38 0.00 -1.09 -3.73 105.19 101.53 1y7h n GLY 12 Ca 0.07 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 1y7h n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y7h s ALA 13 N -2.95 3.55 0.00 4.61 0.00 -1.26 -3.11 121.76 122.60 1y7h s ALA 13 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1y7h s ALA 13 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1y7h s ALA 13 CO 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 175.76 175.16 1y7h n HIS 15 N -1.96 -0.98 -3.09 0.00 -0.00 -1.18 -1.14 115.22 106.88 1y7h n HIS 15 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1y7h n HIS 15 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1y7h n HIS 15 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1y7h n GLY 16 N 5.00 2.52 0.23 -1.41 0.00 -1.26 -3.84 105.19 106.43 1y7h n GLY 16 Ca 0.00 -1.11 0.06 0.00 0.00 0.00 0.00 46.02 44.96 1y7h n GLY 16 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1y7h h GLY 17 N 0.00 0.00 0.82 -0.02 0.00 -1.71 -2.39 103.07 99.78 1y7h h GLY 17 Ca 0.00 -0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.50 1y7h h GLY 17 CO 0.00 0.00 0.43 0.11 0.00 0.00 0.00 176.54 177.08 1y7h h TRP 18 N 0.00 0.05 -0.94 5.60 5.08 -1.91 -2.22 115.95 121.60 1y7h h TRP 18 Ca -0.00 0.00 0.27 0.00 1.08 0.00 0.00 58.89 60.24 1y7h h TRP 18 Cb 0.26 -0.02 -0.04 0.00 -3.00 0.00 0.00 29.16 26.37 1y7h h TRP 18 CO 0.00 0.02 0.72 0.77 -1.28 0.00 0.00 178.44 178.66 1y7h h SER 19 N 0.04 0.00 -0.43 0.11 0.02 -1.83 0.22 113.55 111.69 1y7h h SER 19 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1y7h h SER 19 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1y7h h SER 19 CO -0.01 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.47 1y7h n TRP 20 N -4.12 1.04 0.12 3.45 7.02 -0.84 -4.47 117.44 119.64 1y7h n TRP 20 Ca 0.20 -0.41 0.08 0.00 -1.02 0.00 0.00 57.50 56.35 1y7h n TRP 20 Cb 1.04 -0.20 0.41 0.00 -2.42 0.00 0.00 31.31 30.15 1y7h n TRP 20 CO 0.00 0.00 0.00 2.48 -2.02 0.00 0.00 177.69 178.15 1y7h n TYR 21 N 0.65 0.52 -0.10 -5.99 0.18 0.06 -0.74 117.16 111.75 1y7h n TYR 21 Ca 0.17 0.27 -0.11 0.00 1.88 0.00 0.00 57.90 60.12 1y7h n TYR 21 Cb 0.66 -0.93 -0.14 0.00 -0.38 0.00 0.00 39.34 38.55 1y7h n TYR 21 CO 0.00 0.00 0.00 1.63 -2.08 0.00 0.00 176.86 176.41 1y7h n LYS 22 N -2.03 0.87 -0.01 -3.48 5.02 -1.26 -4.61 118.16 112.66 1y7h n LYS 22 Ca -0.01 0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 56.13 1y7h n LYS 22 Cb 0.03 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.42 1y7h n LYS 22 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1y7h h LEU 23 N 0.00 0.23 -0.90 -0.35 5.85 -1.65 -3.38 115.31 115.11 1y7h h LEU 23 Ca -0.51 -0.96 0.14 0.00 0.84 0.00 0.00 57.88 57.39 1y7h h LEU 23 Cb 2.09 -0.07 -0.15 0.00 0.37 0.00 0.00 40.66 42.90 1y7h h LEU 23 CO 0.01 1.22 -0.34 1.17 -0.34 0.00 0.00 178.44 180.15 1y7h n LYS 24 N -4.36 -0.20 0.25 1.25 4.81 0.09 -0.30 118.16 119.70 1y7h n LYS 24 Ca -0.13 1.38 0.09 0.00 -0.87 0.00 0.00 58.31 58.78 1y7h n LYS 24 Cb 0.66 -2.06 0.65 0.00 0.02 0.00 0.00 35.03 34.30 1y7h n LYS 24 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1y7h h PRO 25 N 0.00 0.00 -0.02 1.64 0.11 -1.82 -2.14 132.00 129.77 1y7h h PRO 25 Ca 0.32 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.19 1y7h h PRO 25 Cb 0.55 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.67 1y7h h PRO 25 CO -0.89 0.09 -0.97 -0.07 -0.21 0.00 0.00 178.00 175.95 1y7h h LEU 26 N 0.00 0.75 -0.29 2.35 4.07 -0.84 -2.40 115.31 118.96 1y7h h LEU 26 Ca -0.00 -0.59 -0.19 0.00 0.08 0.00 0.00 57.88 57.18 1y7h h LEU 26 Cb 0.17 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.68 1y7h h LEU 26 CO 0.01 1.39 -0.58 -0.07 -1.08 0.00 0.00 178.44 178.11 1y7h h LEU 27 N 0.34 0.97 -1.16 1.67 3.38 -1.09 -3.03 115.31 116.38 1y7h h LEU 27 Ca -0.10 -0.53 -0.07 0.00 0.09 0.00 0.00 57.88 57.27 1y7h h LEU 27 Cb 1.61 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.07 1y7h h LEU 27 CO 0.18 1.33 -0.17 -0.33 0.09 0.00 0.00 178.44 179.55 1y7h h GLU 28 N 0.65 0.38 0.00 1.13 5.08 -1.45 -1.76 114.58 118.61 1y7h h GLU 28 Ca 0.01 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1y7h h GLU 28 Cb 1.19 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.40 1y7h h GLU 28 CO 0.13 0.54 -0.03 0.00 -1.00 0.00 0.00 179.01 178.65 1y7h h ALA 29 N 1.48 1.11 -0.01 3.43 0.00 -1.30 0.15 119.26 124.12 1y7h h ALA 29 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1y7h h ALA 29 Cb 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1y7h h ALA 29 CO 0.03 0.04 -0.13 0.00 0.00 0.00 0.00 179.25 179.19 1y7h n ALA 30 N -2.15 2.82 -0.77 0.00 0.00 -0.68 -4.91 120.51 114.83 1y7h n ALA 30 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1y7h n ALA 30 Cb 0.17 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1y7h n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y7h n GLY 31 N 1.25 1.34 3.58 0.00 0.00 0.51 -4.98 105.19 106.89 1y7h n GLY 31 Ca 0.16 -0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 1y7h n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1y7h s HIS 32 N -2.05 2.68 0.02 1.61 3.76 -1.09 -4.38 115.29 115.83 1y7h s HIS 32 Ca 0.00 -0.20 -0.11 0.00 -0.15 0.00 0.00 55.06 54.60 1y7h s HIS 32 Cb 0.00 -1.33 -0.05 0.00 1.11 0.00 0.00 32.58 32.31 1y7h s HIS 32 CO 0.00 0.49 0.37 0.21 -0.85 0.00 0.00 174.74 174.96 1y7h s LYS 33 N -2.71 3.78 0.10 1.40 2.20 -1.10 -3.97 119.74 119.44 1y7h s LYS 33 Ca 0.24 0.23 0.05 0.00 -0.36 0.00 0.00 55.97 56.13 1y7h s LYS 33 Cb -0.09 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.08 1y7h s LYS 33 CO 0.15 0.64 -0.13 0.08 -0.36 0.00 0.00 175.35 175.74 1y7h s VAL 34 N -1.22 1.14 -0.24 4.02 1.01 -1.26 0.15 120.40 124.00 1y7h s VAL 34 Ca 0.27 -1.57 -0.03 0.00 0.00 0.00 0.00 61.98 60.64 1y7h s VAL 34 Cb -0.15 -1.34 0.10 0.00 0.00 0.00 0.00 36.38 34.99 1y7h s VAL 34 CO 0.15 -0.41 0.20 -0.89 0.00 0.00 0.00 175.10 174.15 1y7h s THR 35 N -1.98 -0.24 -1.16 3.92 2.01 0.13 -4.92 115.64 113.40 1y7h s THR 35 Ca 0.05 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.63 1y7h s THR 35 Cb -0.06 -0.81 0.24 0.00 0.01 0.00 0.00 72.50 71.87 1y7h s THR 35 CO 0.02 -0.41 1.98 0.00 -0.69 0.00 0.00 174.62 175.52 1y7h n ALA 36 N 5.29 6.15 -0.98 7.40 0.00 -1.26 -0.97 120.51 136.15 1y7h n ALA 36 Ca -0.05 -4.43 -0.34 0.00 0.00 0.00 0.00 53.44 48.62 1y7h n ALA 36 Cb 0.47 -2.48 0.10 0.00 0.00 0.00 0.00 19.45 17.53 1y7h n ALA 36 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1y7h n LEU 37 N 1.08 -0.18 -4.47 0.00 -0.00 -1.23 -4.09 117.00 108.11 1y7h n LEU 37 Ca 0.49 0.42 -0.36 0.00 -0.00 0.00 0.00 56.01 56.55 1y7h n LEU 37 Cb 0.27 -1.18 -0.12 0.00 -0.00 0.00 0.00 43.42 42.39 1y7h n LEU 37 CO 0.63 -3.59 -0.28 -1.81 -0.00 0.00 0.00 177.39 172.34 1y7h s ASP 38 N -1.76 5.17 0.85 1.45 1.01 -1.26 -3.68 116.67 118.45 1y7h s ASP 38 Ca 0.59 -0.17 -0.12 0.00 0.71 0.00 0.00 52.55 53.56 1y7h s ASP 38 Cb -0.26 -1.92 0.10 0.00 1.01 0.00 0.00 42.92 41.85 1y7h s ASP 38 CO 0.65 0.00 1.10 -0.76 0.21 0.00 0.00 175.17 176.37 1y7h s LEU 39 N 1.40 2.39 0.53 1.23 1.43 -1.26 -4.81 118.68 119.59 1y7h s LEU 39 Ca 0.05 1.32 -0.18 0.00 -1.03 0.00 0.00 54.13 54.29 1y7h s LEU 39 Cb -0.15 -3.83 -0.11 0.00 0.03 0.00 0.00 46.19 42.13 1y7h s LEU 39 CO 0.03 -2.29 0.30 0.00 0.23 0.00 0.00 176.35 174.62 1y7h n ALA 40 N -3.64 -1.85 -2.46 4.21 0.00 -1.07 -1.31 120.51 114.38 1y7h n ALA 40 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 1y7h n ALA 40 Cb 0.56 -1.68 -0.00 0.00 0.00 0.00 0.00 19.45 18.34 1y7h n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y7h n ALA 41 N -1.56 -0.96 -2.46 0.00 0.00 -1.25 -4.88 120.51 109.40 1y7h n ALA 41 Ca 0.10 0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.33 1y7h n ALA 41 Cb 0.47 -0.59 -0.11 0.00 0.00 0.00 0.00 19.45 19.22 1y7h n ALA 41 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1y7h s SER 42 N -1.98 2.49 0.47 0.00 0.01 -0.43 -4.72 113.70 109.54 1y7h s SER 42 Ca 0.00 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 55.90 1y7h s SER 42 Cb 0.00 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.12 1y7h s SER 42 CO 0.00 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 173.68 1y7h n GLY 43 N -0.69 2.06 0.25 3.44 0.00 -1.25 -0.71 105.19 108.28 1y7h n GLY 43 Ca -0.03 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.76 1y7h n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1y7h n THR 44 N 0.00 0.12 -1.70 2.61 -2.24 -1.26 -4.88 114.28 106.93 1y7h n THR 44 Ca 0.00 -0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.19 1y7h n THR 44 Cb 0.00 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.22 1y7h n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1y7h n ASP 45 N -0.24 3.91 0.00 3.42 2.03 0.11 -4.89 116.55 120.90 1y7h n ASP 45 Ca 0.12 1.03 0.11 0.00 0.52 0.00 0.00 54.79 56.57 1y7h n ASP 45 Cb 0.16 -1.54 0.66 0.00 -0.72 0.00 0.00 41.12 39.68 1y7h n ASP 45 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1y7h n LEU 46 N 4.74 0.00 -4.78 -2.67 4.32 -1.26 -4.39 117.00 112.96 1y7h n LEU 46 Ca 0.17 0.02 -0.37 0.00 -0.02 0.00 0.00 56.01 55.81 1y7h n LEU 46 Cb 0.35 -0.02 -0.06 0.00 -1.62 0.00 0.00 43.42 42.07 1y7h n LEU 46 CO 0.65 -0.01 0.67 -0.13 -1.22 0.00 0.00 177.39 177.35 1y7h s ARG 47 N -2.04 4.53 0.25 3.23 0.52 -1.26 -5.02 118.95 119.15 1y7h s ARG 47 Ca 0.33 1.38 -0.08 0.00 -0.52 0.00 0.00 55.73 56.84 1y7h s ARG 47 Cb 0.15 -2.78 -0.06 0.00 0.52 0.00 0.00 34.95 32.78 1y7h s ARG 47 CO 0.27 0.21 0.55 0.15 0.02 0.00 0.00 175.30 176.50 1y7h s LYS 48 N -2.08 3.73 0.52 3.54 1.02 -1.26 -3.89 119.74 121.32 1y7h s LYS 48 Ca 0.51 0.17 0.23 0.00 0.02 0.00 0.00 55.97 56.90 1y7h s LYS 48 Cb -0.20 -2.65 1.41 0.00 -0.52 0.00 0.00 37.83 35.87 1y7h s LYS 48 CO 0.25 0.28 2.12 0.97 -0.92 0.00 0.00 175.35 178.05 1y7h h ILE 49 N 1.77 0.77 0.00 2.17 6.09 -1.88 -1.57 117.51 124.86 1y7h h ILE 49 Ca -0.47 -0.33 -0.02 0.00 -1.37 0.00 0.00 64.86 62.67 1y7h h ILE 49 Cb 1.18 1.19 -0.00 0.00 0.47 0.00 0.00 36.82 39.65 1y7h h ILE 49 CO 0.68 0.08 -0.11 -0.33 -3.07 0.00 0.00 178.15 175.40 1y7h h GLU 50 N 0.00 0.00 0.00 2.19 3.07 -1.97 -1.28 114.58 116.59 1y7h h GLU 50 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1y7h h GLU 50 Cb 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1y7h h GLU 50 CO 0.01 0.11 0.00 0.39 -1.40 0.00 0.00 179.01 178.12 1y7h n GLU 51 N -4.09 0.04 -3.55 2.33 1.02 -0.59 -4.65 120.64 111.15 1y7h n GLU 51 Ca -0.02 0.12 -0.39 0.00 -0.02 0.00 0.00 57.16 56.84 1y7h n GLU 51 Cb 0.20 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.01 1y7h n GLU 51 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1y7h s LEU 52 N -2.95 4.30 -0.18 -4.62 1.43 -0.48 -4.92 118.68 111.26 1y7h s LEU 52 Ca 0.12 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1y7h s LEU 52 Cb 0.14 -2.14 -0.11 0.00 0.03 0.00 0.00 46.19 44.11 1y7h s LEU 52 CO 0.39 -0.16 -0.16 0.54 0.23 0.00 0.00 176.35 177.19 1y7h n ARG 53 N 5.09 0.44 -4.27 1.70 1.74 -1.26 -5.02 116.66 115.08 1y7h n ARG 53 Ca -0.13 0.11 -0.25 0.00 -0.77 0.00 0.00 57.85 56.81 1y7h n ARG 53 Cb 0.51 -1.34 -0.08 0.00 -1.02 0.00 0.00 32.46 30.52 1y7h n ARG 53 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1y7h s THR 54 N -2.36 3.46 0.40 0.55 -4.23 -1.26 -4.89 115.64 107.31 1y7h s THR 54 Ca -0.24 -1.70 0.15 0.00 -1.18 0.00 0.00 61.69 58.72 1y7h s THR 54 Cb 0.06 -2.78 0.36 0.00 1.34 0.00 0.00 72.50 71.49 1y7h s THR 54 CO 0.41 -0.23 1.85 0.25 -0.54 0.00 0.00 174.62 176.35 1y7h h LEU 55 N 2.39 0.48 -0.47 4.79 5.85 -1.93 0.37 115.31 126.80 1y7h h LEU 55 Ca -0.46 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.34 1y7h h LEU 55 Cb 1.22 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 1y7h h LEU 55 CO 0.58 0.19 0.27 0.22 -0.34 0.00 0.00 178.44 179.36 1y7h h TYR 56 N 0.48 0.51 -1.01 1.25 5.03 -1.96 -1.10 116.97 120.17 1y7h h TYR 56 Ca 0.48 0.02 0.16 0.00 2.58 0.00 0.00 58.73 61.97 1y7h h TYR 56 Cb 1.09 -0.16 -0.10 0.00 1.55 0.00 0.00 36.73 39.11 1y7h h TYR 56 CO -0.00 0.29 0.62 -0.44 -1.32 0.00 0.00 178.16 177.30 1y7h h ASP 57 N 0.54 0.84 0.82 -2.11 3.45 -1.32 0.20 116.42 118.85 1y7h h ASP 57 Ca 0.19 0.08 -0.13 0.00 0.43 0.00 0.00 57.03 57.60 1y7h h ASP 57 Cb 0.03 -0.08 -0.02 0.00 -0.56 0.00 0.00 39.33 38.70 1y7h h ASP 57 CO -0.10 0.36 -0.64 0.22 -1.57 0.00 0.00 179.24 177.52 1y7h h TYR 58 N 0.85 0.00 -0.05 4.55 3.20 -1.23 -3.13 116.97 121.16 1y7h h TYR 58 Ca 0.55 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.42 1y7h h TYR 58 Cb 0.74 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.01 1y7h h TYR 58 CO -0.00 0.64 0.00 2.41 -1.64 0.00 0.00 178.16 179.56 1y7h n THR 59 N -3.60 0.05 -0.33 1.81 -1.04 0.02 -2.60 114.28 108.59 1y7h n THR 59 Ca -0.00 -0.37 -0.06 0.00 -2.04 0.00 0.00 64.05 61.57 1y7h n THR 59 Cb 0.67 0.86 -0.02 0.00 -1.82 0.00 0.00 70.33 70.02 1y7h n THR 59 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1y7h h LEU 60 N 3.28 -1.62 -0.21 -4.42 5.85 -0.65 -2.21 115.31 115.32 1y7h h LEU 60 Ca 0.00 0.29 0.06 0.00 0.84 0.00 0.00 57.88 59.07 1y7h h LEU 60 Cb 0.70 0.77 -0.07 0.00 0.37 0.00 0.00 40.66 42.44 1y7h h LEU 60 CO 0.00 -0.29 -0.26 -0.65 -0.34 0.00 0.00 178.44 176.90 1y7h h PRO 61 N -0.08 -0.27 -1.82 5.25 0.11 -1.85 -1.36 132.00 131.98 1y7h h PRO 61 Ca 0.24 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1y7h h PRO 61 Cb 0.54 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1y7h h PRO 61 CO -0.87 -0.18 0.00 -0.11 -0.21 0.00 0.00 178.00 176.63 1y7h n LEU 62 N -5.38 0.00 0.00 2.35 7.94 -0.83 -1.93 117.00 119.14 1y7h n LEU 62 Ca -0.02 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.88 1y7h n LEU 62 Cb 0.30 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.25 1y7h n LEU 62 CO 0.15 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.81 1y7h n GLU 64 N 0.93 0.00 0.00 1.96 1.02 -0.52 -4.59 120.64 119.44 1y7h n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1y7h n GLU 64 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1y7h n GLU 64 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1y7h n LEU 65 N 0.00 0.43 0.00 -4.62 0.00 -0.81 -1.70 117.00 110.30 1y7h n LEU 65 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 56.01 55.79 1y7h n LEU 65 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 43.42 43.32 1y7h n LEU 65 CO 0.00 0.08 0.00 1.21 0.00 0.00 0.00 177.39 178.68 1y7h n GLU 67 N 0.68 0.00 0.00 1.96 4.07 -1.26 -2.41 120.64 123.68 1y7h n GLU 67 Ca 0.00 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.22 1y7h n GLU 67 Cb 0.08 0.00 0.26 0.00 -0.06 0.00 0.00 31.44 31.72 1y7h n GLU 67 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1y7h n SER 68 N 0.00 1.41 -4.76 4.31 7.64 -0.69 -4.95 113.62 116.58 1y7h n SER 68 Ca 0.00 -1.14 -0.36 0.00 1.01 0.00 0.00 58.87 58.37 1y7h n SER 68 Cb 0.00 0.24 0.02 0.00 -1.01 0.00 0.00 64.21 63.46 1y7h n SER 68 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1y7h s LEU 69 N -2.46 3.76 0.80 -3.43 1.43 -1.01 -5.02 118.68 112.76 1y7h s LEU 69 Ca 0.23 2.39 -0.11 0.00 -1.03 0.00 0.00 54.13 55.61 1y7h s LEU 69 Cb 0.19 -4.49 0.08 0.00 0.03 0.00 0.00 46.19 42.00 1y7h s LEU 69 CO 0.52 -1.41 1.16 -0.44 0.23 0.00 0.00 176.35 176.41 1y7h s SER 70 N -1.50 4.48 0.31 2.29 0.01 -1.26 -4.99 113.70 113.04 1y7h s SER 70 Ca 0.74 0.69 0.02 0.00 1.31 0.00 0.00 55.95 58.71 1y7h s SER 70 Cb -0.30 -1.19 0.50 0.00 0.21 0.00 0.00 66.02 65.24 1y7h s SER 70 CO 0.34 -1.90 1.82 0.00 0.41 0.00 0.00 173.24 173.92 1y7h h ALA 71 N -1.01 1.26 -0.81 1.44 0.00 -2.02 -3.05 119.26 115.07 1y7h h ALA 71 Ca -0.46 -0.24 -0.57 0.00 0.00 0.00 0.00 54.91 53.65 1y7h h ALA 71 Cb 1.32 -0.16 -0.36 0.00 0.00 0.00 0.00 17.79 18.60 1y7h h ALA 71 CO 0.63 0.49 -0.15 -0.40 0.00 0.00 0.00 179.25 179.83 1y7h n ASP 72 N -4.24 5.76 -3.61 0.00 3.85 -1.26 -4.88 116.55 112.16 1y7h n ASP 72 Ca 0.02 -3.77 -0.29 0.00 -0.71 0.00 0.00 54.79 50.03 1y7h n ASP 72 Cb 0.28 -0.59 -0.13 0.00 -1.35 0.00 0.00 41.12 39.33 1y7h n ASP 72 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1y7h s GLU 73 N -3.66 0.97 0.46 0.11 -6.30 -1.15 -5.12 118.70 104.01 1y7h s GLU 73 Ca 0.56 -1.70 -0.02 0.00 -2.50 0.00 0.00 54.97 51.31 1y7h s GLU 73 Cb 0.45 -1.91 -0.01 0.00 0.00 0.00 0.00 34.13 32.65 1y7h s GLU 73 CO 0.02 -1.17 0.71 0.15 0.02 0.00 0.00 175.26 174.99 1y7h s LYS 74 N 0.69 3.21 0.34 4.30 3.01 -1.26 -4.46 119.74 125.58 1y7h s LYS 74 Ca 0.17 -0.23 0.04 0.00 -1.01 0.00 0.00 55.97 54.95 1y7h s LYS 74 Cb -0.24 -2.49 -0.03 0.00 -1.01 0.00 0.00 37.83 34.06 1y7h s LYS 74 CO -0.00 -0.26 0.18 0.14 0.51 0.00 0.00 175.35 175.92 1y7h s VAL 75 N -2.63 0.31 -0.25 3.17 -7.23 -0.83 -4.07 120.40 108.86 1y7h s VAL 75 Ca 0.48 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.67 1y7h s VAL 75 Cb -0.10 -2.45 0.06 0.00 0.56 0.00 0.00 36.38 34.45 1y7h s VAL 75 CO 0.40 0.00 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.48 1y7h s ILE 76 N -3.44 1.95 0.14 -0.62 1.01 -0.42 -1.42 121.20 118.40 1y7h s ILE 76 Ca 0.33 -1.52 -0.30 0.00 0.00 0.00 0.00 60.65 59.17 1y7h s ILE 76 Cb 0.03 -2.12 -0.06 0.00 0.01 0.00 0.00 42.46 40.32 1y7h s ILE 76 CO 0.19 -0.07 0.96 -0.76 0.00 0.00 0.00 174.94 175.26 1y7h s LEU 77 N 1.20 4.53 -0.19 2.97 1.43 -0.89 -1.81 118.68 125.91 1y7h s LEU 77 Ca -0.07 1.83 -0.04 0.00 -1.03 0.00 0.00 54.13 54.82 1y7h s LEU 77 Cb -0.20 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 42.49 1y7h s LEU 77 CO -0.06 -0.03 0.06 -0.69 0.23 0.00 0.00 176.35 175.87 1y7h s VAL 78 N -0.23 0.26 -0.09 -1.59 1.01 -0.93 0.12 120.40 118.95 1y7h s VAL 78 Ca 0.46 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1y7h s VAL 78 Cb -0.24 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 1y7h s VAL 78 CO 0.30 -0.28 -0.08 -0.83 0.00 0.00 0.00 175.10 174.21 1y7h s GLY 79 N 1.98 1.65 -0.11 4.51 0.00 -0.11 -0.54 107.32 114.69 1y7h s GLY 79 Ca 0.01 -0.89 -0.02 0.00 0.00 0.00 0.00 44.72 43.82 1y7h s GLY 79 CO -0.10 -0.50 -0.02 -1.58 0.00 0.00 0.00 173.10 170.89 1y7h s HIS 80 N -0.40 3.07 0.00 1.90 2.46 -0.41 -2.07 115.29 119.84 1y7h s HIS 80 Ca 0.06 -0.01 0.00 0.00 0.47 0.00 0.00 55.06 55.58 1y7h s HIS 80 Cb -0.12 -1.84 0.00 0.00 -0.13 0.00 0.00 32.58 30.48 1y7h s HIS 80 CO 0.02 0.26 0.00 0.45 -2.47 0.00 0.00 174.74 173.00 1y7h n SER 81 N 2.69 0.00 0.26 9.88 2.88 -1.18 0.11 113.62 128.26 1y7h n SER 81 Ca -0.18 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.50 1y7h n SER 81 Cb 0.53 0.00 0.67 0.00 -0.75 0.00 0.00 64.21 64.66 1y7h n SER 81 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1y7h h LEU 82 N 0.00 0.00 -2.02 2.46 5.85 -1.88 0.36 115.31 120.08 1y7h h LEU 82 Ca 0.00 0.00 0.08 0.00 0.84 0.00 0.00 57.88 58.80 1y7h h LEU 82 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1y7h h LEU 82 CO 0.00 0.10 0.38 1.23 -0.34 0.00 0.00 178.44 179.81 1y7h h GLY 83 N 1.59 0.00 -1.90 3.75 0.00 0.69 -3.25 103.07 103.95 1y7h h GLY 83 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y7h h GLY 83 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1y7h n GLY 84 N -1.40 0.00 2.11 4.60 0.00 -1.08 -1.49 105.19 107.93 1y7h n GLY 84 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1y7h n GLY 84 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y7h n ASN 86 N 0.80 0.00 -0.36 1.61 4.13 -1.23 -2.38 115.26 117.83 1y7h n ASN 86 Ca 0.00 0.00 -0.02 0.00 1.68 0.00 0.00 54.58 56.24 1y7h n ASN 86 Cb 0.00 0.00 0.11 0.00 -1.54 0.00 0.00 39.78 38.35 1y7h n ASN 86 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1y7h h LEU 87 N 0.00 1.09 0.20 3.41 4.07 -1.59 -2.84 115.31 119.63 1y7h h LEU 87 Ca 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1y7h h LEU 87 Cb 0.00 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.45 1y7h h LEU 87 CO 0.00 0.77 -0.40 1.23 -1.08 0.00 0.00 178.44 178.96 1y7h h GLY 88 N 1.28 -1.17 -0.00 0.83 0.00 -1.74 -1.80 103.07 100.47 1y7h h GLY 88 Ca 0.36 0.59 0.22 0.00 0.00 0.00 0.00 47.33 48.49 1y7h h GLY 88 CO -0.09 -0.33 0.61 1.41 0.00 0.00 0.00 176.54 178.14 1y7h h LEU 89 N -0.65 0.73 -2.19 3.11 4.07 -1.86 -2.09 115.31 116.43 1y7h h LEU 89 Ca -0.02 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1y7h h LEU 89 Cb 0.61 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.34 1y7h h LEU 89 CO -0.16 0.20 0.00 0.00 -1.08 0.00 0.00 178.44 177.40 1y7h n ALA 90 N -2.32 2.02 0.00 1.53 0.00 -0.68 -3.20 120.51 117.86 1y7h n ALA 90 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1y7h n ALA 90 Cb 0.66 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1y7h n ALA 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1y7h n GLU 92 N 0.91 0.00 -0.10 0.00 4.07 -0.79 -1.32 120.64 123.41 1y7h n GLU 92 Ca 0.00 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.95 1y7h n GLU 92 Cb 0.22 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.46 1y7h n GLU 92 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1y7h n LYS 93 N 0.00 0.67 -2.59 5.31 4.81 -1.19 -4.69 118.16 120.48 1y7h n LYS 93 Ca 0.00 0.12 -0.14 0.00 -0.87 0.00 0.00 58.31 57.41 1y7h n LYS 93 Cb 0.00 -1.56 0.02 0.00 0.02 0.00 0.00 35.03 33.51 1y7h n LYS 93 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1y7h n TYR 94 N -3.08 1.94 0.29 5.64 4.01 -0.43 -4.90 117.16 120.61 1y7h n TYR 94 Ca -0.38 -2.79 0.17 0.00 -0.16 0.00 0.00 57.90 54.74 1y7h n TYR 94 Cb 1.06 -0.27 0.83 0.00 -0.31 0.00 0.00 39.34 40.65 1y7h n TYR 94 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1y7h h PRO 95 N 2.79 0.00 -0.05 -0.72 0.13 -1.84 0.01 132.00 132.31 1y7h h PRO 95 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1y7h h PRO 95 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1y7h h PRO 95 CO 0.59 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.36 1y7h n GLN 96 N -3.10 1.66 -0.14 0.86 0.00 -1.26 -3.80 117.38 111.61 1y7h n GLN 96 Ca -0.00 -0.97 0.05 0.00 0.00 0.00 0.00 57.00 56.08 1y7h n GLN 96 Cb 0.40 -1.46 0.12 0.00 0.00 0.00 0.00 30.24 29.31 1y7h n GLN 96 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1y7h n LYS 97 N 0.18 2.66 -4.01 2.61 5.02 -0.01 -4.93 118.16 119.68 1y7h n LYS 97 Ca 0.18 -1.89 -0.31 0.00 -2.02 0.00 0.00 58.31 54.27 1y7h n LYS 97 Cb 0.34 -1.23 -0.15 0.00 -0.02 0.00 0.00 35.03 33.97 1y7h n LYS 97 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1y7h s ILE 98 N -0.98 1.93 0.48 -0.18 1.01 -1.25 -1.97 121.20 120.24 1y7h s ILE 98 Ca 0.19 -1.62 0.14 0.00 0.00 0.00 0.00 60.65 59.36 1y7h s ILE 98 Cb 0.10 -2.17 0.29 0.00 0.01 0.00 0.00 42.46 40.68 1y7h s ILE 98 CO 0.13 -0.18 2.09 1.88 0.00 0.00 0.00 174.94 178.87 1y7h h TYR 99 N 7.81 0.20 0.00 3.97 0.99 -1.58 -3.45 116.97 124.92 1y7h h TYR 99 Ca -0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.58 1y7h h TYR 99 Cb 1.05 -0.07 0.00 0.00 1.00 0.00 0.00 36.73 38.71 1y7h h TYR 99 CO 0.55 0.12 0.00 0.00 -0.00 0.00 0.00 178.16 178.83 1y7h n ALA 100 N -2.53 0.00 -2.96 3.88 0.00 -1.26 -4.72 120.51 112.92 1y7h n ALA 100 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 1y7h n ALA 100 Cb 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.49 1y7h n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y7h s ALA 101 N -1.51 3.11 -0.19 0.00 0.00 -0.63 -2.10 121.76 120.44 1y7h s ALA 101 Ca 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.06 1y7h s ALA 101 Cb 0.00 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 1y7h s ALA 101 CO 0.00 0.07 -0.04 0.08 0.00 0.00 0.00 175.76 175.87 1y7h s VAL 102 N 0.60 3.59 -0.64 0.00 1.01 0.32 -0.36 120.40 124.91 1y7h s VAL 102 Ca -0.00 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.44 1y7h s VAL 102 Cb -0.14 -2.60 0.17 0.00 0.00 0.00 0.00 36.38 33.81 1y7h s VAL 102 CO 0.02 0.46 0.53 -0.36 0.00 0.00 0.00 175.10 175.74 1y7h s PHE 103 N 0.93 3.52 -0.41 5.22 0.40 -0.14 -0.93 117.98 126.56 1y7h s PHE 103 Ca -0.00 -2.11 -0.23 0.00 -0.60 0.00 0.00 56.93 53.99 1y7h s PHE 103 Cb -0.15 -3.55 0.02 0.00 0.51 0.00 0.00 43.02 39.85 1y7h s PHE 103 CO 0.01 -0.95 0.79 -1.17 0.70 0.00 0.00 175.22 174.60 1y7h s LEU 104 N 0.58 4.18 -1.80 -0.37 2.96 -0.88 -1.08 118.68 122.27 1y7h s LEU 104 Ca 0.13 0.12 -0.23 0.00 -0.22 0.00 0.00 54.13 53.93 1y7h s LEU 104 Cb -0.19 -3.00 0.23 0.00 0.50 0.00 0.00 46.19 43.72 1y7h s LEU 104 CO -0.04 -0.84 0.59 0.00 -1.32 0.00 0.00 176.35 174.74 1y7h n ALA 105 N 6.60 -1.20 -3.91 5.97 0.00 -0.96 -3.27 120.51 123.73 1y7h n ALA 105 Ca 0.03 -0.19 -0.18 0.00 0.00 0.00 0.00 53.44 53.09 1y7h n ALA 105 Cb 0.48 -2.49 -0.01 0.00 0.00 0.00 0.00 19.45 17.43 1y7h n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y7h n ALA 106 N -4.01 0.46 -2.56 0.00 0.00 -1.26 -3.13 120.51 110.01 1y7h n ALA 106 Ca 0.11 -1.38 -0.21 0.00 0.00 0.00 0.00 53.44 51.97 1y7h n ALA 106 Cb 0.45 0.62 0.11 0.00 0.00 0.00 0.00 19.45 20.63 1y7h n ALA 106 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1y7h n PHE 107 N -1.18 -3.00 -3.88 0.00 3.01 0.12 -4.84 117.46 107.69 1y7h n PHE 107 Ca -0.04 -1.55 -0.08 0.00 1.01 0.00 0.00 57.45 56.79 1y7h n PHE 107 Cb 0.39 -0.65 -0.02 0.00 -0.01 0.00 0.00 39.48 39.19 1y7h n PHE 107 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1y7h s PRO 109 N -4.81 1.85 0.11 -1.08 0.04 -1.26 -3.82 135.00 126.02 1y7h s PRO 109 Ca 0.59 -1.15 0.00 0.00 0.04 0.00 0.00 61.00 60.48 1y7h s PRO 109 Cb -0.03 0.59 -0.00 0.00 0.04 0.00 0.00 34.50 35.09 1y7h s PRO 109 CO 0.39 -0.84 0.01 -0.40 0.04 0.00 0.00 177.00 176.20 1y7h n ASP 110 N -0.67 1.86 -0.00 6.66 5.75 -1.26 -5.07 116.55 123.81 1y7h n ASP 110 Ca -0.04 -1.49 0.06 0.00 -0.01 0.00 0.00 54.79 53.31 1y7h n ASP 110 Cb 0.60 0.13 -0.10 0.00 -1.03 0.00 0.00 41.12 40.72 1y7h n ASP 110 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1y7h n SER 111 N -1.37 1.71 -0.02 -1.12 7.64 -1.26 -4.64 113.62 114.56 1y7h n SER 111 Ca -0.03 -0.17 -0.00 0.00 1.01 0.00 0.00 58.87 59.67 1y7h n SER 111 Cb 0.14 1.48 -0.00 0.00 -1.01 0.00 0.00 64.21 64.81 1y7h n SER 111 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1y7h h VAL 112 N 0.00 0.00 -3.81 0.44 2.07 -1.98 -3.43 116.25 109.54 1y7h h VAL 112 Ca 0.00 -0.28 -0.46 0.00 0.82 0.00 0.00 66.70 66.78 1y7h h VAL 112 Cb 0.54 0.00 0.17 0.00 -1.52 0.00 0.00 31.29 30.48 1y7h h VAL 112 CO 0.00 0.00 0.16 -1.00 0.02 0.00 0.00 177.57 176.75 1y7h s HIS 113 N -1.21 1.93 0.94 1.57 3.76 -1.26 -5.00 115.29 116.01 1y7h s HIS 113 Ca -0.01 1.20 -0.11 0.00 -0.15 0.00 0.00 55.06 55.98 1y7h s HIS 113 Cb 0.00 -3.19 0.16 0.00 1.11 0.00 0.00 32.58 30.66 1y7h s HIS 113 CO 0.02 -2.99 1.09 -0.80 -0.85 0.00 0.00 174.74 171.21 1y7h s ASN 114 N -3.12 2.98 0.51 1.40 0.01 -1.26 -4.80 114.94 110.66 1y7h s ASN 114 Ca 0.66 1.64 0.19 0.00 -0.71 0.00 0.00 52.86 54.64 1y7h s ASN 114 Cb -0.20 -2.29 1.29 0.00 0.41 0.00 0.00 41.25 40.46 1y7h s ASN 114 CO 0.59 -2.97 2.10 0.28 -1.51 0.00 0.00 177.10 175.60 1y7h h SER 115 N -1.78 0.00 1.21 -1.22 0.02 -1.48 -2.19 113.55 108.10 1y7h h SER 115 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1y7h h SER 115 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1y7h h SER 115 CO 0.51 0.08 0.00 -1.54 -1.14 0.00 0.00 176.83 174.74 1y7h n SER 116 N -4.24 0.53 -0.20 3.07 3.41 -0.52 -4.24 113.62 111.42 1y7h n SER 116 Ca -0.03 0.56 -0.07 0.00 -0.26 0.00 0.00 58.87 59.07 1y7h n SER 116 Cb 0.16 -0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 63.35 1y7h n SER 116 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1y7h h PHE 117 N 0.00 -1.12 -0.65 7.33 3.57 -1.69 0.34 116.94 124.72 1y7h h PHE 117 Ca 0.00 0.07 0.12 0.00 3.53 0.00 0.00 57.97 61.69 1y7h h PHE 117 Cb 0.60 0.55 -0.12 0.00 2.79 0.00 0.00 35.95 39.77 1y7h h PHE 117 CO 0.00 -0.25 -0.31 -0.39 -2.23 0.00 0.00 178.31 175.13 1y7h h VAL 118 N -0.08 0.18 -0.23 1.41 -1.51 -1.81 0.20 116.25 114.40 1y7h h VAL 118 Ca 0.08 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.51 1y7h h VAL 118 Cb 0.29 0.18 -0.01 0.00 -2.13 0.00 0.00 31.29 29.61 1y7h h VAL 118 CO -0.50 0.00 0.00 -0.07 -1.23 0.00 0.00 177.57 175.77 1y7h h LEU 119 N -0.12 0.40 -0.95 4.19 3.38 -1.70 -1.36 115.31 119.14 1y7h h LEU 119 Ca 0.26 -0.30 0.15 0.00 0.09 0.00 0.00 57.88 58.08 1y7h h LEU 119 Cb 0.55 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.10 1y7h h LEU 119 CO -0.72 0.60 0.56 -0.33 0.09 0.00 0.00 178.44 178.65 1y7h h GLU 120 N 0.18 0.79 -0.34 1.13 5.08 0.71 0.69 114.58 122.82 1y7h h GLU 120 Ca 0.07 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1y7h h GLU 120 Cb 0.40 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1y7h h GLU 120 CO 0.01 0.52 -0.20 1.96 -1.00 0.00 0.00 179.01 180.30 1y7h h GLN 121 N 0.81 0.74 -0.96 2.33 1.08 -0.44 -3.02 115.11 115.65 1y7h h GLN 121 Ca 0.51 -0.34 0.18 0.00 -1.45 0.00 0.00 58.65 57.55 1y7h h GLN 121 Cb 0.66 -0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 27.97 1y7h h GLN 121 CO -0.33 0.95 0.56 -0.92 -0.95 0.00 0.00 178.83 178.14 1y7h h TYR 122 N 0.51 0.98 0.79 2.96 3.20 0.25 -2.28 116.97 123.37 1y7h h TYR 122 Ca 0.07 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 1y7h h TYR 122 Cb 0.75 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 38.74 1y7h h TYR 122 CO 0.06 0.21 -0.39 -0.91 -1.64 0.00 0.00 178.16 175.49 1y7h h ASN 123 N 0.72 -0.93 0.00 -2.11 4.21 -1.13 -2.71 115.58 113.63 1y7h h ASN 123 Ca 0.55 0.04 0.00 0.00 1.21 0.00 0.00 56.30 58.09 1y7h h ASN 123 Cb 0.84 0.25 0.00 0.00 -1.12 0.00 0.00 38.32 38.29 1y7h h ASN 123 CO -0.38 -0.65 0.21 -0.33 -1.29 0.00 0.00 177.43 174.98 1y7h h GLU 124 N -1.07 0.00 -0.25 0.81 5.08 -1.37 0.21 114.58 118.00 1y7h h GLU 124 Ca -0.11 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.19 1y7h h GLU 124 Cb 0.83 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 1y7h h GLU 124 CO 0.17 0.00 -0.03 0.54 -1.00 0.00 0.00 179.01 178.69 1y7h n ARG 125 N -2.30 2.31 -3.67 2.33 1.74 -1.04 -4.95 116.66 111.09 1y7h n ARG 125 Ca -0.01 -2.93 -0.10 0.00 -0.77 0.00 0.00 57.85 54.05 1y7h n ARG 125 Cb 0.24 -1.78 -0.10 0.00 -1.02 0.00 0.00 32.46 29.79 1y7h n ARG 125 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1y7h s THR 126 N -2.98 -0.47 0.71 0.55 2.01 0.75 -5.04 115.64 111.16 1y7h s THR 126 Ca 0.41 0.17 -0.13 0.00 0.31 0.00 0.00 61.69 62.45 1y7h s THR 126 Cb 0.35 -0.62 0.03 0.00 0.01 0.00 0.00 72.50 72.27 1y7h s THR 126 CO 0.05 0.07 1.11 -2.16 -0.69 0.00 0.00 174.62 172.99 1y7h s PRO 127 N 2.30 2.54 0.42 4.92 0.04 -1.26 -4.83 135.00 139.14 1y7h s PRO 127 Ca -0.03 1.31 0.18 0.00 0.04 0.00 0.00 61.00 62.51 1y7h s PRO 127 Cb -0.11 -1.92 0.96 0.00 0.04 0.00 0.00 34.50 33.46 1y7h s PRO 127 CO -0.12 -1.44 1.90 0.00 0.04 0.00 0.00 177.00 177.37 1y7h h ALA 128 N -0.47 1.31 0.00 8.56 0.00 -2.02 -2.21 119.26 124.43 1y7h h ALA 128 Ca -0.45 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1y7h h ALA 128 Cb 1.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1y7h h ALA 128 CO 0.53 0.35 0.00 -0.85 0.00 0.00 0.00 179.25 179.27 1y7h n GLU 129 N -3.88 0.86 0.05 0.00 -0.00 -1.26 -2.74 120.64 113.67 1y7h n GLU 129 Ca -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.15 1y7h n GLU 129 Cb 0.36 -1.19 -0.06 0.00 -0.00 0.00 0.00 31.44 30.55 1y7h n GLU 129 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.13 176.16 1y7h h ASN 130 N 0.00 0.00 0.00 -1.84 -0.73 -1.77 -3.30 115.58 107.94 1y7h h ASN 130 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1y7h h ASN 130 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1y7h h ASN 130 CO 0.00 0.56 0.00 0.79 -0.37 0.00 0.00 177.43 178.41 1y7h n TRP 131 N -2.96 0.00 0.00 0.67 7.02 -1.11 -4.94 117.44 116.12 1y7h n TRP 131 Ca -0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.41 1y7h n TRP 131 Cb 0.82 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.71 1y7h n TRP 131 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1y7h n LEU 132 N -0.58 0.00 -0.89 -0.99 4.77 -1.25 0.09 117.00 118.15 1y7h n LEU 132 Ca 0.03 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.05 1y7h n LEU 132 Cb 0.02 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.26 1y7h n LEU 132 CO 0.03 0.00 0.55 -0.90 -1.33 0.00 0.00 177.39 175.74 1y7h n ASP 133 N 1.37 2.48 -4.77 -1.43 3.85 -1.26 -4.93 116.55 111.87 1y7h n ASP 133 Ca 0.00 -2.24 -0.40 0.00 -0.71 0.00 0.00 54.79 51.44 1y7h n ASP 133 Cb 0.00 -0.44 -0.00 0.00 -1.35 0.00 0.00 41.12 39.33 1y7h n ASP 133 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1y7h s THR 134 N -1.68 2.40 -0.09 2.12 2.01 0.11 -4.24 115.64 116.28 1y7h s THR 134 Ca 0.22 0.38 -0.03 0.00 0.31 0.00 0.00 61.69 62.56 1y7h s THR 134 Cb 0.15 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 1y7h s THR 134 CO 0.09 0.07 0.06 -1.58 -0.69 0.00 0.00 174.62 172.57 1y7h s GLN 135 N -2.19 3.15 -0.40 4.92 2.00 0.05 -4.95 119.66 122.24 1y7h s GLN 135 Ca 0.56 -0.32 0.01 0.00 -2.00 0.00 0.00 55.36 53.61 1y7h s GLN 135 Cb -0.41 -2.93 0.13 0.00 0.80 0.00 0.00 33.01 30.59 1y7h s GLN 135 CO 0.54 0.72 0.20 -0.06 -0.50 0.00 0.00 175.29 176.19 1y7h s PHE 136 N -0.97 1.95 -0.07 1.67 0.08 -1.26 -0.94 117.98 118.44 1y7h s PHE 136 Ca 0.15 -2.26 -0.02 0.00 0.12 0.00 0.00 56.93 54.92 1y7h s PHE 136 Cb -0.12 -1.86 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 1y7h s PHE 136 CO 0.04 -0.81 0.03 -0.51 -0.10 0.00 0.00 175.22 173.87 1y7h s LEU 137 N 0.69 3.71 0.35 -0.37 1.43 -0.78 -4.88 118.68 118.83 1y7h s LEU 137 Ca 0.16 0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 53.33 1y7h s LEU 137 Cb -0.23 -1.92 -0.07 0.00 0.03 0.00 0.00 46.19 44.00 1y7h s LEU 137 CO -0.06 0.36 0.69 -2.16 0.23 0.00 0.00 176.35 175.42 1y7h s PRO 138 N -1.08 3.78 0.00 1.29 0.04 -1.26 0.67 135.00 138.45 1y7h s PRO 138 Ca 0.15 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.57 1y7h s PRO 138 Cb -0.11 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.94 1y7h s PRO 138 CO 0.05 0.09 0.69 2.48 0.04 0.00 0.00 177.00 180.34 1y7h n TYR 139 N -0.95 0.00 0.00 0.56 4.11 0.21 -4.89 117.16 116.20 1y7h n TYR 139 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.91 1y7h n TYR 139 Cb 0.54 0.04 0.00 0.00 -0.00 0.00 0.00 39.34 39.92 1y7h n TYR 139 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1y7h n GLY 140 N 0.00 0.75 3.68 -7.48 0.00 -1.22 -4.78 105.19 96.15 1y7h n GLY 140 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1y7h n GLY 140 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y7h s SER 141 N -0.53 -0.11 0.08 1.61 1.04 -0.43 -4.83 113.70 110.53 1y7h s SER 141 Ca 0.00 -0.25 0.08 0.00 0.48 0.00 0.00 55.95 56.25 1y7h s SER 141 Cb 0.00 0.30 0.38 0.00 0.10 0.00 0.00 66.02 66.80 1y7h s SER 141 CO 0.00 -0.56 1.24 -0.81 0.98 0.00 0.00 173.24 174.09 1y7h n PRO 142 N -0.49 0.04 -0.09 4.02 -0.04 -1.26 0.41 135.00 137.60 1y7h n PRO 142 Ca -0.07 0.49 -0.08 0.00 -0.04 0.00 0.00 63.50 63.79 1y7h n PRO 142 Cb 0.62 -1.62 -0.15 0.00 -0.04 0.00 0.00 33.50 32.32 1y7h n PRO 142 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1y7h n GLU 143 N -1.70 0.98 -3.17 0.54 -0.00 -1.26 -4.70 120.64 111.34 1y7h n GLU 143 Ca 0.00 -0.02 -0.22 0.00 -0.00 0.00 0.00 57.16 56.93 1y7h n GLU 143 Cb 0.04 -1.47 -0.06 0.00 -0.00 0.00 0.00 31.44 29.95 1y7h n GLU 143 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1y7h n GLU 144 N -2.66 0.77 -1.92 3.44 2.13 -0.57 -5.11 120.64 116.72 1y7h n GLU 144 Ca -0.29 -3.19 -0.42 0.00 0.66 0.00 0.00 57.16 53.92 1y7h n GLU 144 Cb 1.08 -1.33 -0.03 0.00 0.27 0.00 0.00 31.44 31.43 1y7h n GLU 144 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1y7h s PRO 145 N -1.38 4.11 -0.00 5.31 0.04 0.17 -1.31 135.00 141.93 1y7h s PRO 145 Ca 0.36 2.25 0.08 0.00 0.04 0.00 0.00 61.00 63.73 1y7h s PRO 145 Cb 0.21 -4.05 -0.02 0.00 0.04 0.00 0.00 34.50 30.68 1y7h s PRO 145 CO -0.11 -0.95 -0.25 -0.51 0.04 0.00 0.00 177.00 175.22 1y7h s LEU 146 N 4.38 2.08 -0.05 -3.56 1.43 -1.26 -4.84 118.68 116.86 1y7h s LEU 146 Ca 0.78 -0.48 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 1y7h s LEU 146 Cb -0.35 -1.25 -0.00 0.00 0.03 0.00 0.00 46.19 44.62 1y7h s LEU 146 CO 0.33 0.28 -0.18 -0.89 0.23 0.00 0.00 176.35 176.12 1y7h s THR 147 N -0.64 1.54 0.00 5.49 2.01 -1.26 -0.62 115.64 122.17 1y7h s THR 147 Ca 0.10 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1y7h s THR 147 Cb -0.10 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 71.09 1y7h s THR 147 CO -0.00 0.44 0.00 -1.54 -0.69 0.00 0.00 174.62 172.83 1y7h n SER 148 N 3.17 0.62 0.00 3.53 3.41 0.21 -4.50 113.62 120.06 1y7h n SER 148 Ca -0.18 -0.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 1y7h n SER 148 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 1y7h n SER 148 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1y7h n PHE 150 N -0.34 0.00 -2.05 7.33 7.35 -0.11 -1.87 117.46 127.77 1y7h n PHE 150 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 1y7h n PHE 150 Cb 0.00 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 39.81 1y7h n PHE 150 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1y7h s PHE 151 N 0.00 2.97 0.27 -5.13 0.08 -1.26 -0.77 117.98 114.13 1y7h s PHE 151 Ca 0.00 1.34 0.07 0.00 0.12 0.00 0.00 56.93 58.46 1y7h s PHE 151 Cb 0.00 -3.75 -0.03 0.00 -0.57 0.00 0.00 43.02 38.67 1y7h s PHE 151 CO 0.00 -2.12 0.26 0.20 -0.10 0.00 0.00 175.22 173.46 1y7h s GLY 152 N -0.35 1.46 0.36 4.36 0.00 -1.26 -4.89 107.32 107.00 1y7h s GLY 152 Ca 0.50 -1.44 0.10 0.00 0.00 0.00 0.00 44.72 43.88 1y7h s GLY 152 CO 0.54 -1.45 1.85 -0.56 0.00 0.00 0.00 173.10 173.48 1y7h h PRO 153 N 1.36 0.65 -0.12 2.90 0.13 -1.96 0.28 132.00 135.23 1y7h h PRO 153 Ca -0.48 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.59 1y7h h PRO 153 Cb 1.24 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1y7h h PRO 153 CO 0.60 0.43 0.02 0.87 -0.23 0.00 0.00 178.00 179.69 1y7h h LYS 154 N 0.67 0.21 -0.21 0.86 1.79 -1.95 -2.60 116.57 115.34 1y7h h LYS 154 Ca 0.47 -0.06 -0.15 0.00 -2.18 0.00 0.00 60.65 58.74 1y7h h LYS 154 Cb 0.81 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 1y7h h LYS 154 CO -0.23 0.41 -0.48 0.35 -1.08 0.00 0.00 179.45 178.42 1y7h h PHE 155 N -0.02 0.69 -0.26 -1.35 3.04 -1.61 -2.20 116.94 115.23 1y7h h PHE 155 Ca 0.04 -0.22 0.01 0.00 3.98 0.00 0.00 57.97 61.77 1y7h h PHE 155 Cb 0.30 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 1y7h h PHE 155 CO 0.02 0.94 0.16 1.25 -2.02 0.00 0.00 178.31 178.65 1y7h h LEU 156 N 0.45 0.26 0.11 0.59 5.85 -0.43 0.11 115.31 122.23 1y7h h LEU 156 Ca 0.02 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.47 1y7h h LEU 156 Cb 1.01 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 1y7h h LEU 156 CO 0.09 0.19 -1.32 0.00 -0.34 0.00 0.00 178.44 177.06 1y7h h ALA 157 N 1.11 0.21 0.06 1.25 0.00 -1.51 0.92 119.26 121.30 1y7h h ALA 157 Ca 0.10 -0.98 -0.26 0.00 0.00 0.00 0.00 54.91 53.77 1y7h h ALA 157 Cb -0.01 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1y7h h ALA 157 CO -0.04 1.08 -1.25 0.45 0.00 0.00 0.00 179.25 179.49 1y7h h HIS 158 N 0.06 0.24 0.00 0.00 3.86 -1.37 0.45 115.15 118.39 1y7h h HIS 158 Ca -0.16 -0.18 -0.06 0.00 -1.16 0.00 0.00 60.37 58.81 1y7h h HIS 158 Cb 1.96 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 30.41 1y7h h HIS 158 CO 0.05 1.16 -1.72 1.63 0.86 0.00 0.00 177.93 179.91 1y7h n LYS 159 N -3.40 0.78 -0.05 2.45 4.76 0.36 -4.50 118.16 118.56 1y7h n LYS 159 Ca -0.08 -0.10 -0.10 0.00 -2.87 0.00 0.00 58.31 55.16 1y7h n LYS 159 Cb 1.00 -1.34 -0.04 0.00 -1.84 0.00 0.00 35.03 32.80 1y7h n LYS 159 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1y7h n LEU 160 N -2.12 1.70 -1.19 -0.35 4.77 -0.83 -0.70 117.00 118.27 1y7h n LEU 160 Ca -0.07 0.06 0.08 0.00 -0.03 0.00 0.00 56.01 56.04 1y7h n LEU 160 Cb 0.51 -0.34 0.29 0.00 -2.33 0.00 0.00 43.42 41.56 1y7h n LEU 160 CO 0.30 0.41 0.75 -1.22 -1.33 0.00 0.00 177.39 176.31 1y7h n TYR 161 N -3.21 1.21 -0.25 -1.77 4.02 0.26 -3.57 117.16 113.84 1y7h n TYR 161 Ca -0.20 -0.74 0.33 0.00 -0.01 0.00 0.00 57.90 57.28 1y7h n TYR 161 Cb 0.67 -0.30 0.73 0.00 -0.02 0.00 0.00 39.34 40.42 1y7h n TYR 161 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 1y7h h GLN 162 N 2.73 0.00 -0.01 -0.72 -0.00 -1.13 0.55 115.11 116.53 1y7h h GLN 162 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1y7h h GLN 162 Cb 1.44 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.92 1y7h h GLN 162 CO 0.24 0.00 -0.26 1.28 -0.00 0.00 0.00 178.83 180.10 1y7h n LEU 163 N -4.02 1.79 0.00 0.06 4.77 -1.26 -5.01 117.00 113.33 1y7h n LEU 163 Ca 0.23 -0.82 -0.18 0.00 -0.03 0.00 0.00 56.01 55.21 1y7h n LEU 163 Cb 1.18 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 42.39 1y7h n LEU 163 CO 0.37 0.34 0.52 0.00 -1.33 0.00 0.00 177.39 177.28 1y7h s SER 165 N -3.93 6.38 0.35 0.00 1.04 -1.26 -4.96 113.70 111.32 1y7h s SER 165 Ca 0.46 0.76 0.02 0.00 0.48 0.00 0.00 55.95 57.66 1y7h s SER 165 Cb -0.01 -2.16 0.63 0.00 0.10 0.00 0.00 66.02 64.57 1y7h s SER 165 CO 0.32 -0.33 2.00 1.55 0.98 0.00 0.00 173.24 177.76 1y7h h PRO 166 N 1.11 0.85 0.38 4.02 0.13 -1.97 -0.57 132.00 135.94 1y7h h PRO 166 Ca -0.48 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.58 1y7h h PRO 166 Cb 1.20 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1y7h h PRO 166 CO 0.64 0.56 -0.18 0.93 -0.23 0.00 0.00 178.00 179.72 1y7h h GLU 167 N 0.87 -0.49 -0.18 0.86 3.07 -1.99 0.12 114.58 116.85 1y7h h GLU 167 Ca 0.25 0.03 0.05 0.00 -0.50 0.00 0.00 59.36 59.20 1y7h h GLU 167 Cb -0.05 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1y7h h GLU 167 CO -0.06 -0.31 0.15 -0.44 -1.40 0.00 0.00 179.01 176.95 1y7h h ASP 168 N -0.54 0.00 -0.08 1.42 3.45 -1.76 -0.52 116.42 118.39 1y7h h ASP 168 Ca -0.05 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.32 1y7h h ASP 168 Cb 0.41 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.18 1y7h h ASP 168 CO 0.09 0.00 -0.31 0.25 -1.57 0.00 0.00 179.24 177.70 1y7h h LEU 169 N 0.00 0.41 -2.02 1.55 5.85 -0.65 -2.86 115.31 117.59 1y7h h LEU 169 Ca 0.09 -0.63 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 1y7h h LEU 169 Cb 0.38 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1y7h h LEU 169 CO -0.00 0.97 -0.04 0.00 -0.34 0.00 0.00 178.44 179.03 1y7h h ALA 170 N 0.45 1.83 -0.24 1.25 0.00 0.57 -1.88 119.26 121.23 1y7h h ALA 170 Ca -0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1y7h h ALA 170 Cb 0.95 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1y7h h ALA 170 CO 0.06 0.05 -0.19 1.25 0.00 0.00 0.00 179.25 180.42 1y7h h LEU 171 N 0.00 0.59 -0.56 0.00 5.85 -1.22 -2.85 115.31 117.13 1y7h h LEU 171 Ca -0.00 -0.45 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 1y7h h LEU 171 Cb 0.07 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1y7h h LEU 171 CO 0.00 0.92 0.07 0.00 -0.34 0.00 0.00 178.44 179.10 1y7h h ALA 172 N 0.69 0.74 -0.36 1.25 0.00 -1.18 -2.71 119.26 117.69 1y7h h ALA 172 Ca 0.04 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.77 1y7h h ALA 172 Cb 0.73 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 1y7h h ALA 172 CO 0.05 0.51 -0.06 0.77 0.00 0.00 0.00 179.25 180.51 1y7h h SER 173 N 0.83 -0.28 -0.13 0.00 0.02 -1.33 0.29 113.55 112.95 1y7h h SER 173 Ca 0.17 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1y7h h SER 173 Cb 0.44 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1y7h h SER 173 CO 0.01 -0.10 0.00 -1.54 -1.14 0.00 0.00 176.83 174.07 1y7h n SER 174 N -5.26 0.72 0.00 3.07 3.41 -1.08 -4.23 113.62 110.25 1y7h n SER 174 Ca 0.01 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 1y7h n SER 174 Cb 0.20 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1y7h n SER 174 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1y7h n LEU 175 N -0.14 1.53 -4.63 1.04 4.77 -0.33 -5.07 117.00 114.17 1y7h n LEU 175 Ca 0.06 0.00 -0.46 0.00 -0.03 0.00 0.00 56.01 55.58 1y7h n LEU 175 Cb 0.12 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1y7h n LEU 175 CO 0.04 0.25 0.86 1.33 -1.33 0.00 0.00 177.39 178.54 1y7h n VAL 176 N -1.99 1.03 -4.39 4.08 0.24 0.86 -4.88 118.33 113.28 1y7h n VAL 176 Ca 0.00 -0.26 -0.24 0.00 -2.04 0.00 0.00 64.34 61.80 1y7h n VAL 176 Cb 0.29 -1.18 -0.09 0.00 -1.47 0.00 0.00 33.84 31.40 1y7h n VAL 176 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1y7h s ARG 177 N -0.52 1.97 0.59 7.34 0.52 -0.29 -5.02 118.95 123.54 1y7h s ARG 177 Ca 0.69 -1.70 -0.19 0.00 -0.52 0.00 0.00 55.73 54.01 1y7h s ARG 177 Cb -0.73 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 32.79 1y7h s ARG 177 CO 0.52 0.25 1.18 -1.25 0.02 0.00 0.00 175.30 176.01 1y7h s PRO 178 N -3.63 3.04 0.00 3.54 0.04 -1.26 -4.27 135.00 132.46 1y7h s PRO 178 Ca 0.32 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1y7h s PRO 178 Cb -0.03 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1y7h s PRO 178 CO 0.18 -1.12 0.00 0.45 0.04 0.00 0.00 177.00 176.54 1y7h n SER 179 N -1.61 0.55 -3.64 6.66 2.88 -1.26 -4.81 113.62 112.38 1y7h n SER 179 Ca 0.13 -0.04 -0.12 0.00 -1.33 0.00 0.00 58.87 57.50 1y7h n SER 179 Cb 0.50 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.89 1y7h n SER 179 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1y7h s SER 180 N 0.91 -0.75 0.03 -3.46 0.15 -1.26 -4.31 113.70 105.01 1y7h s SER 180 Ca 0.00 1.38 0.28 0.00 0.70 0.00 0.00 55.95 58.31 1y7h s SER 180 Cb 0.00 1.37 1.15 0.00 -1.71 0.00 0.00 66.02 66.82 1y7h s SER 180 CO 0.00 -0.24 1.88 0.18 1.20 0.00 0.00 173.24 176.27 1y7h n LEU 181 N 3.07 0.11 -2.12 3.45 4.77 -1.26 -5.06 117.00 119.95 1y7h n LEU 181 Ca -0.15 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1y7h n LEU 181 Cb 0.56 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1y7h n LEU 181 CO 0.03 -0.04 -0.19 0.49 -1.33 0.00 0.00 177.39 176.35 1y7h n PHE 182 N -1.60 -1.85 0.00 -1.77 3.72 -1.26 -4.91 117.46 109.79 1y7h n PHE 182 Ca 0.07 1.10 0.00 0.00 -0.05 0.00 0.00 57.45 58.57 1y7h n PHE 182 Cb 0.34 -2.07 0.00 0.00 -0.94 0.00 0.00 39.48 36.81 1y7h n PHE 182 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1y7h n GLU 184 N 1.94 0.00 -0.02 -1.08 4.71 -1.26 -2.41 120.64 122.51 1y7h n GLU 184 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1y7h n GLU 184 Cb 0.00 -0.14 -0.05 0.00 -1.01 0.00 0.00 31.44 30.24 1y7h n GLU 184 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1y7h n ASP 185 N 0.00 3.41 0.09 1.62 2.03 -1.26 -4.58 116.55 117.86 1y7h n ASP 185 Ca 0.00 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.39 1y7h n ASP 185 Cb 0.00 0.93 -0.02 0.00 -0.72 0.00 0.00 41.12 41.31 1y7h n ASP 185 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1y7h h LEU 186 N 0.00 0.00 0.00 -2.67 3.38 -1.83 -3.35 115.31 110.84 1y7h h LEU 186 Ca -0.10 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1y7h h LEU 186 Cb 0.95 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1y7h h LEU 186 CO 0.01 0.20 -0.69 0.77 0.09 0.00 0.00 178.44 178.81 1y7h h SER 187 N 0.00 0.00 -1.80 -0.43 4.64 -1.85 -1.36 113.55 112.75 1y7h h SER 187 Ca -0.05 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 60.54 1y7h h SER 187 Cb 1.20 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.03 1y7h h SER 187 CO 0.02 0.63 0.96 0.29 -0.87 0.00 0.00 176.83 177.86 1y7h n LYS 188 N -3.23 2.69 0.00 4.77 5.02 -1.26 -4.88 118.16 121.27 1y7h n LYS 188 Ca 0.01 -3.33 0.00 0.00 -2.02 0.00 0.00 58.31 52.97 1y7h n LYS 188 Cb 0.79 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1y7h n LYS 188 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1y7h n ALA 189 N -0.36 0.00 -3.41 7.82 0.00 -1.26 -5.04 120.51 118.27 1y7h n ALA 189 Ca 0.54 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.71 1y7h n ALA 189 Cb 0.30 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.65 1y7h n ALA 189 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1y7h s LYS 190 N -2.00 0.69 0.28 0.00 2.20 -1.26 -3.01 119.74 116.63 1y7h s LYS 190 Ca 0.00 -1.54 0.26 0.00 -0.36 0.00 0.00 55.97 54.32 1y7h s LYS 190 Cb 0.00 -1.24 0.88 0.00 -1.51 0.00 0.00 37.83 35.96 1y7h s LYS 190 CO 0.00 -1.27 1.76 1.88 -0.36 0.00 0.00 175.35 177.35 1y7h h TYR 191 N 6.49 0.00 -3.40 4.03 0.05 -1.94 -3.44 116.97 118.76 1y7h h TYR 191 Ca 0.13 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 58.29 1y7h h TYR 191 Cb 0.96 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 38.53 1y7h h TYR 191 CO 0.36 0.00 -0.57 -0.06 -1.05 0.00 0.00 178.16 176.83 1y7h s PHE 192 N -3.24 3.21 0.15 4.88 0.08 -1.26 -4.92 117.98 116.88 1y7h s PHE 192 Ca 0.07 -0.02 0.10 0.00 0.12 0.00 0.00 56.93 57.21 1y7h s PHE 192 Cb 0.10 -2.13 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 1y7h s PHE 192 CO 0.52 0.04 -0.22 0.95 -0.10 0.00 0.00 175.22 176.41 1y7h s THR 193 N 0.69 2.54 0.41 0.64 -4.23 -1.26 -4.48 115.64 109.95 1y7h s THR 193 Ca 0.04 -1.76 0.11 0.00 -1.18 0.00 0.00 61.69 58.90 1y7h s THR 193 Cb -0.13 -2.18 0.19 0.00 1.34 0.00 0.00 72.50 71.72 1y7h s THR 193 CO 0.02 0.02 1.97 0.44 -0.54 0.00 0.00 174.62 176.52 1y7h h ASP 194 N 3.56 0.19 -0.33 3.99 5.19 -1.95 0.35 116.42 127.42 1y7h h ASP 194 Ca -0.49 -0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 55.85 1y7h h ASP 194 Cb 1.18 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.63 1y7h h ASP 194 CO 0.45 0.30 0.03 -0.33 -3.12 0.00 0.00 179.24 176.57 1y7h h GLU 195 N 0.20 0.56 0.00 3.56 3.07 -1.96 -3.07 114.58 116.94 1y7h h GLU 195 Ca 0.04 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1y7h h GLU 195 Cb 0.28 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1y7h h GLU 195 CO 0.01 0.66 -0.61 0.54 -1.40 0.00 0.00 179.01 178.22 1y7h n ARG 196 N -4.57 0.35 -0.01 2.33 1.74 -1.15 -4.03 116.66 111.32 1y7h n ARG 196 Ca -0.02 0.20 0.01 0.00 -0.77 0.00 0.00 57.85 57.28 1y7h n ARG 196 Cb 0.24 -1.18 0.34 0.00 -1.02 0.00 0.00 32.46 30.84 1y7h n ARG 196 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1y7h h PHE 197 N -0.68 0.55 0.00 -1.55 3.57 -1.17 -2.81 116.94 114.85 1y7h h PHE 197 Ca 0.00 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 1y7h h PHE 197 Cb 0.61 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1y7h h PHE 197 CO -0.26 0.46 -0.31 0.78 -2.23 0.00 0.00 178.31 176.74 1y7h h GLY 198 N 0.74 0.00 2.00 2.40 0.00 -1.31 -3.20 103.07 103.69 1y7h h GLY 198 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 1y7h h GLY 198 CO -0.01 0.00 -0.15 1.48 0.00 0.00 0.00 176.54 177.86 1y7h h SER 199 N 0.00 0.00 -3.09 0.19 4.64 -1.50 -3.42 113.55 110.36 1y7h h SER 199 Ca -0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1y7h h SER 199 Cb 1.03 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.10 1y7h h SER 199 CO 0.04 0.15 0.69 -0.69 -0.87 0.00 0.00 176.83 176.16 1y7h s VAL 200 N -4.28 4.25 0.27 0.95 1.01 -1.21 -5.01 120.40 116.38 1y7h s VAL 200 Ca -0.03 1.58 -0.29 0.00 0.00 0.00 0.00 61.98 63.23 1y7h s VAL 200 Cb 0.14 -4.01 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 1y7h s VAL 200 CO 0.62 0.00 1.35 -0.54 0.00 0.00 0.00 175.10 176.54 1y7h s LYS 201 N 2.16 4.33 -0.18 2.72 1.02 -1.26 -4.91 119.74 123.62 1y7h s LYS 201 Ca 0.56 2.21 -0.03 0.00 0.02 0.00 0.00 55.97 58.73 1y7h s LYS 201 Cb -0.25 -3.11 -0.01 0.00 -0.52 0.00 0.00 37.83 33.94 1y7h s LYS 201 CO 0.22 -0.28 -0.07 1.03 -0.92 0.00 0.00 175.35 175.33 1y7h s ARG 202 N -0.92 3.42 -0.22 1.68 0.52 -1.26 -1.61 118.95 120.56 1y7h s ARG 202 Ca 0.54 -0.63 -0.02 0.00 -0.52 0.00 0.00 55.73 55.11 1y7h s ARG 202 Cb -0.40 -2.87 0.01 0.00 0.52 0.00 0.00 34.95 32.21 1y7h s ARG 202 CO 0.46 -0.01 -0.09 0.08 0.02 0.00 0.00 175.30 175.77 1y7h s VAL 203 N 0.96 2.84 -0.05 3.52 1.01 0.51 0.15 120.40 129.34 1y7h s VAL 203 Ca -0.01 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 1y7h s VAL 203 Cb -0.15 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1y7h s VAL 203 CO 0.00 0.36 0.15 -0.47 0.00 0.00 0.00 175.10 175.13 1y7h s TYR 204 N 1.37 3.52 -0.10 5.22 6.14 -0.30 -0.97 117.35 132.23 1y7h s TYR 204 Ca 0.03 0.39 0.03 0.00 0.64 0.00 0.00 57.07 58.17 1y7h s TYR 204 Cb -0.15 -1.85 -0.01 0.00 0.42 0.00 0.00 41.96 40.37 1y7h s TYR 204 CO -0.06 0.66 -0.21 0.42 0.64 0.00 0.00 175.55 177.00 1y7h s ILE 205 N -1.19 2.33 -0.14 3.14 1.01 -0.24 -0.98 121.20 125.14 1y7h s ILE 205 Ca 0.22 -0.93 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 1y7h s ILE 205 Cb -0.12 -1.91 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1y7h s ILE 205 CO 0.12 0.55 0.09 -0.69 0.00 0.00 0.00 174.94 175.02 1y7h s VAL 206 N 0.24 5.07 -0.44 2.92 1.01 0.20 -2.26 120.40 127.14 1y7h s VAL 206 Ca -0.14 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 1y7h s VAL 206 Cb -0.17 -3.23 0.12 0.00 0.00 0.00 0.00 36.38 33.10 1y7h s VAL 206 CO 0.07 0.55 0.28 0.00 0.00 0.00 0.00 175.10 176.00 1y7h h THR 208 N 6.23 0.00 0.00 0.00 2.02 -1.63 -1.54 112.91 117.99 1y7h h THR 208 Ca -0.18 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1y7h h THR 208 Cb 1.06 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1y7h h THR 208 CO 0.79 0.00 0.00 -0.62 0.37 0.00 0.00 175.52 176.06 1y7h n GLU 209 N -3.29 0.73 -1.61 6.66 -0.58 -0.99 -4.16 120.64 117.41 1y7h n GLU 209 Ca -0.00 0.00 -0.48 0.00 -0.42 0.00 0.00 57.16 56.26 1y7h n GLU 209 Cb 0.05 -1.04 -0.04 0.00 -0.57 0.00 0.00 31.44 29.84 1y7h n GLU 209 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1y7h n ASP 210 N -0.43 1.87 -0.07 1.62 -0.08 -0.58 -4.58 116.55 114.31 1y7h n ASP 210 Ca 0.00 1.13 -0.08 0.00 -1.51 0.00 0.00 54.79 54.33 1y7h n ASP 210 Cb 0.02 -1.28 -0.09 0.00 2.34 0.00 0.00 41.12 42.12 1y7h n ASP 210 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1y7h n LYS 211 N 2.09 1.36 0.44 -0.67 3.00 -1.25 -4.09 118.16 119.05 1y7h n LYS 211 Ca 0.15 0.03 -0.19 0.00 -0.00 0.00 0.00 58.31 58.30 1y7h n LYS 211 Cb 0.26 -1.31 -0.09 0.00 0.00 0.00 0.00 35.03 33.88 1y7h n LYS 211 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1y7h h GLY 212 N 1.89 -1.16 -7.50 3.14 0.00 -1.24 -3.35 103.07 94.84 1y7h h GLY 212 Ca -0.33 0.43 -0.66 0.00 0.00 0.00 0.00 47.33 46.76 1y7h h GLY 212 CO -0.01 -0.42 -0.59 -0.42 0.00 0.00 0.00 176.54 175.10 1y7h s ILE 213 N -5.84 2.81 0.20 2.60 1.01 -1.26 -5.08 121.20 115.64 1y7h s ILE 213 Ca -0.18 -2.86 -0.30 0.00 0.00 0.00 0.00 60.65 57.31 1y7h s ILE 213 Cb 0.02 -2.94 -0.16 0.00 0.01 0.00 0.00 42.46 39.39 1y7h s ILE 213 CO 0.59 -0.75 0.77 -0.81 0.00 0.00 0.00 174.94 174.74 1y7h n PRO 214 N 3.64 0.49 -0.36 2.79 -0.04 -1.26 -4.65 135.00 135.61 1y7h n PRO 214 Ca 0.04 0.17 0.28 0.00 -0.04 0.00 0.00 63.50 63.95 1y7h n PRO 214 Cb 0.37 -1.37 0.54 0.00 -0.04 0.00 0.00 33.50 32.99 1y7h n PRO 214 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1y7h h GLU 215 N 1.71 0.26 -0.14 0.54 4.81 -1.72 0.15 114.58 120.18 1y7h h GLU 215 Ca -0.35 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 58.90 1y7h h GLU 215 Cb 1.40 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 1y7h h GLU 215 CO 0.60 0.17 -0.07 0.93 -0.73 0.00 0.00 179.01 179.91 1y7h h GLU 216 N 0.27 -0.06 -0.43 1.92 3.07 -1.91 0.15 114.58 117.59 1y7h h GLU 216 Ca 0.73 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.50 1y7h h GLU 216 Cb 1.91 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 29.82 1y7h h GLU 216 CO -0.48 -0.04 -0.13 0.35 -1.40 0.00 0.00 179.01 177.31 1y7h h PHE 217 N -0.07 0.86 -0.33 4.33 3.57 -1.05 -0.73 116.94 123.51 1y7h h PHE 217 Ca 0.08 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1y7h h PHE 217 Cb 0.18 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.69 1y7h h PHE 217 CO -0.21 0.86 0.13 1.96 -2.23 0.00 0.00 178.31 178.82 1y7h h GLN 218 N 0.70 0.50 -0.02 1.11 4.20 -0.96 0.08 115.11 120.72 1y7h h GLN 218 Ca 0.12 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1y7h h GLN 218 Cb 0.61 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 1y7h h GLN 218 CO 0.04 0.50 -0.12 0.00 -0.67 0.00 0.00 178.83 178.59 1y7h h ARG 219 N 0.39 0.03 -0.30 1.46 2.47 -0.76 -2.31 114.38 115.37 1y7h h ARG 219 Ca 0.11 -0.01 -0.11 0.00 -1.26 0.00 0.00 59.98 58.72 1y7h h ARG 219 Cb 0.19 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.50 1y7h h ARG 219 CO -0.01 0.15 -0.24 2.35 0.56 0.00 0.00 179.97 182.78 1y7h h TRP 220 N 0.03 0.82 -0.74 3.04 7.01 -0.32 -0.91 115.95 124.88 1y7h h TRP 220 Ca 0.01 -0.23 -0.04 0.00 2.11 0.00 0.00 58.89 60.73 1y7h h TRP 220 Cb 0.23 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.08 1y7h h TRP 220 CO 0.00 0.96 0.28 1.96 -2.79 0.00 0.00 178.44 178.86 1y7h h GLN 221 N 0.43 1.10 -0.52 2.65 4.20 -0.50 -2.02 115.11 120.45 1y7h h GLN 221 Ca 0.05 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.48 1y7h h GLN 221 Cb 0.80 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1y7h h GLN 221 CO 0.06 0.90 -0.03 0.82 -0.67 0.00 0.00 178.83 179.91 1y7h h ILE 222 N 1.07 1.27 -0.50 2.54 2.04 -1.32 0.20 117.51 122.81 1y7h h ILE 222 Ca 0.25 -1.14 -0.25 0.00 1.00 0.00 0.00 64.86 64.71 1y7h h ILE 222 Cb 0.22 0.96 -0.15 0.00 -0.74 0.00 0.00 36.82 37.10 1y7h h ILE 222 CO -0.02 0.40 0.32 0.47 0.00 0.00 0.00 178.15 179.33 1y7h n ASP 223 N -4.27 3.38 0.00 1.72 10.43 -0.36 -3.11 116.55 124.35 1y7h n ASP 223 Ca 0.01 -2.80 0.00 0.00 2.57 0.00 0.00 54.79 54.57 1y7h n ASP 223 Cb 0.34 -0.67 0.00 0.00 1.84 0.00 0.00 41.12 42.63 1y7h n ASP 223 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1y7h n ASN 224 N -0.31 0.00 -0.04 -2.24 2.85 -0.80 -4.93 115.26 109.78 1y7h n ASN 224 Ca 0.30 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.74 1y7h n ASN 224 Cb 1.09 0.00 -0.09 0.00 1.24 0.00 0.00 39.78 42.01 1y7h n ASN 224 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1y7h n ILE 225 N -0.15 0.60 0.00 -1.44 -0.00 0.69 -5.05 119.36 114.01 1y7h n ILE 225 Ca 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 62.75 62.31 1y7h n ILE 225 Cb 0.00 -0.47 0.00 0.00 -0.00 0.00 0.00 39.64 39.17 1y7h n ILE 225 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1y7h n GLY 226 N 2.17 0.13 3.12 7.39 0.00 -1.18 -5.00 105.19 111.81 1y7h n GLY 226 Ca -0.15 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 1y7h n GLY 226 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1y7h s VAL 227 N -0.89 0.13 -0.06 1.61 -7.23 -1.26 -4.96 120.40 107.74 1y7h s VAL 227 Ca 0.00 -1.08 0.12 0.00 -1.81 0.00 0.00 61.98 59.21 1y7h s VAL 227 Cb 0.00 -0.88 -0.06 0.00 0.56 0.00 0.00 36.38 36.00 1y7h s VAL 227 CO 0.00 -0.60 1.28 0.74 -0.31 0.00 0.00 175.10 176.22 1y7h h THR 228 N 3.68 1.11 -2.20 5.32 2.02 -0.69 -3.47 112.91 118.68 1y7h h THR 228 Ca -0.32 -2.62 -0.07 0.00 0.77 0.00 0.00 66.41 64.16 1y7h h THR 228 Cb 1.19 2.52 -0.19 0.00 -1.74 0.00 0.00 68.15 69.93 1y7h h THR 228 CO 0.50 0.63 0.12 -0.70 0.37 0.00 0.00 175.52 176.44 1y7h s GLU 229 N -2.85 1.01 -0.35 6.66 2.12 -1.17 -5.02 118.70 119.09 1y7h s GLU 229 Ca 0.02 0.16 -0.00 0.00 0.36 0.00 0.00 54.97 55.50 1y7h s GLU 229 Cb 0.08 0.47 0.12 0.00 0.26 0.00 0.00 34.13 35.06 1y7h s GLU 229 CO 0.78 -0.32 0.16 0.00 -0.54 0.00 0.00 175.26 175.35 1y7h s ALA 230 N -1.31 1.43 0.28 6.30 0.00 -1.26 -1.15 121.76 126.05 1y7h s ALA 230 Ca -0.11 -1.86 -0.04 0.00 0.00 0.00 0.00 51.96 49.95 1y7h s ALA 230 Cb -0.01 -1.65 -0.05 0.00 0.00 0.00 0.00 23.12 21.41 1y7h s ALA 230 CO 0.08 -1.86 0.53 0.42 0.00 0.00 0.00 175.76 174.94 1y7h s ILE 231 N 1.26 5.05 0.08 0.00 -1.09 -0.15 -4.93 121.20 121.42 1y7h s ILE 231 Ca 0.13 -0.02 0.01 0.00 -2.23 0.00 0.00 60.65 58.54 1y7h s ILE 231 Cb -0.20 -3.74 -0.04 0.00 -1.58 0.00 0.00 42.46 36.90 1y7h s ILE 231 CO -0.15 -0.31 -0.06 -1.83 -1.23 0.00 0.00 174.94 171.35 1y7h s GLU 232 N -3.56 0.76 -0.26 2.79 -1.05 -1.26 0.62 118.70 116.75 1y7h s GLU 232 Ca 0.43 -1.25 0.02 0.00 -0.15 0.00 0.00 54.97 54.02 1y7h s GLU 232 Cb -0.11 -0.15 0.07 0.00 -0.44 0.00 0.00 34.13 33.50 1y7h s GLU 232 CO 0.30 -0.03 -0.06 0.42 0.95 0.00 0.00 175.26 176.85 1y7h s ILE 233 N -3.42 1.88 0.13 1.83 1.01 0.38 -4.86 121.20 118.14 1y7h s ILE 233 Ca 0.09 -1.56 -0.31 0.00 0.00 0.00 0.00 60.65 58.87 1y7h s ILE 233 Cb 0.04 -2.12 -0.08 0.00 0.01 0.00 0.00 42.46 40.31 1y7h s ILE 233 CO -0.05 -0.16 1.34 -0.54 0.00 0.00 0.00 174.94 175.53 1y7h s LYS 234 N 1.21 4.36 -0.61 2.79 1.02 -1.26 -3.12 119.74 124.13 1y7h s LYS 234 Ca -0.04 2.02 0.00 0.00 0.02 0.00 0.00 55.97 57.97 1y7h s LYS 234 Cb -0.19 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.87 1y7h s LYS 234 CO -0.07 -0.36 0.00 0.41 -0.92 0.00 0.00 175.35 174.41 1y7h n GLY 235 N 3.17 0.27 3.46 -3.33 0.00 -1.26 -4.99 105.19 102.50 1y7h n GLY 235 Ca 0.10 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 1y7h n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y7h s ALA 236 N -2.32 2.75 0.77 4.61 0.00 -1.22 -4.88 121.76 121.47 1y7h s ALA 236 Ca 0.00 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 1y7h s ALA 236 Cb 0.00 -1.17 0.06 0.00 0.00 0.00 0.00 23.12 22.01 1y7h s ALA 236 CO 0.00 0.41 0.37 -0.40 0.00 0.00 0.00 175.76 176.14 1y7h n ASP 237 N 2.88 0.21 -2.48 0.00 3.85 -1.26 -2.34 116.55 117.41 1y7h n ASP 237 Ca -0.18 -1.25 0.00 0.00 -0.71 0.00 0.00 54.79 52.66 1y7h n ASP 237 Cb 0.53 -0.27 0.00 0.00 -1.35 0.00 0.00 41.12 40.03 1y7h n ASP 237 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.20 177.76 1y7h n HIS 238 N -2.24 0.00 0.00 2.11 -0.00 -1.23 -4.64 115.22 109.22 1y7h n HIS 238 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 1y7h n HIS 238 Cb 0.18 -0.29 0.00 0.00 -0.00 0.00 0.00 29.99 29.88 1y7h n HIS 238 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1y7h n ALA 240 N 2.32 0.00 0.00 1.57 0.00 -1.26 -4.96 120.51 118.18 1y7h n ALA 240 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1y7h n ALA 240 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1y7h n ALA 240 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y7h n LEU 242 N 0.00 0.00 0.03 0.00 4.77 -1.26 -1.86 117.00 118.68 1y7h n LEU 242 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1y7h n LEU 242 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1y7h n LEU 242 CO 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 177.39 176.00 1y7h n GLU 244 N -2.06 1.00 -0.18 0.00 -0.58 -0.78 -4.97 120.64 113.08 1y7h n GLU 244 Ca 0.01 -3.25 -0.09 0.00 -0.42 0.00 0.00 57.16 53.42 1y7h n GLU 244 Cb 0.46 -1.57 0.01 0.00 -0.57 0.00 0.00 31.44 29.77 1y7h n GLU 244 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1y7h h PRO 245 N 2.99 0.83 -0.43 3.49 0.13 -1.79 -2.40 132.00 134.82 1y7h h PRO 245 Ca 0.05 -0.19 -0.12 0.00 -0.87 0.00 0.00 66.00 64.87 1y7h h PRO 245 Cb 1.02 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1y7h h PRO 245 CO 0.47 0.78 -0.21 1.96 -0.23 0.00 0.00 178.00 180.77 1y7h h GLN 246 N 0.73 0.85 0.00 0.86 4.20 -1.91 -0.96 115.11 118.87 1y7h h GLN 246 Ca 0.17 -0.34 -0.07 0.00 0.06 0.00 0.00 58.65 58.46 1y7h h GLN 246 Cb 0.32 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1y7h h GLN 246 CO -0.00 0.98 -0.34 0.87 -0.67 0.00 0.00 178.83 179.67 1y7h h LYS 247 N 0.74 0.00 -0.08 1.46 1.57 -1.93 -1.18 116.57 117.15 1y7h h LYS 247 Ca 0.10 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.73 1y7h h LYS 247 Cb 0.74 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.06 1y7h h LYS 247 CO 0.06 0.34 -0.56 1.25 -0.57 0.00 0.00 179.45 179.97 1y7h h LEU 248 N 0.00 0.64 -0.34 2.94 6.46 -1.11 -2.71 115.31 121.19 1y7h h LEU 248 Ca -0.00 -0.67 0.02 0.00 -0.12 0.00 0.00 57.88 57.11 1y7h h LEU 248 Cb 0.65 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 1y7h h LEU 248 CO 0.04 1.20 0.17 0.00 -0.62 0.00 0.00 178.44 179.24 1y7h h ALA 250 N 1.18 0.56 -0.84 0.00 0.00 -1.21 0.21 119.26 119.16 1y7h h ALA 250 Ca 0.14 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1y7h h ALA 250 Cb 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1y7h h ALA 250 CO -0.10 -0.16 0.39 0.77 0.00 0.00 0.00 179.25 180.15 1y7h h SER 251 N 0.42 1.11 0.16 0.00 0.02 -1.12 -1.67 113.55 112.46 1y7h h SER 251 Ca 0.20 -0.14 -0.14 0.00 -0.84 0.00 0.00 61.79 60.86 1y7h h SER 251 Cb 0.13 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1y7h h SER 251 CO -0.16 0.94 -0.52 -0.07 -1.14 0.00 0.00 176.83 175.88 1y7h h LEU 252 N 1.20 0.44 -1.06 5.07 3.38 -0.59 -1.40 115.31 122.35 1y7h h LEU 252 Ca 0.29 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1y7h h LEU 252 Cb 0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1y7h h LEU 252 CO -0.03 0.89 -0.38 -0.07 0.09 0.00 0.00 178.44 178.93 1y7h h LEU 253 N 0.31 0.18 -0.16 1.67 3.38 -0.25 -1.25 115.31 119.20 1y7h h LEU 253 Ca 0.01 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 1y7h h LEU 253 Cb 1.02 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1y7h h LEU 253 CO 0.09 0.55 -0.97 -0.08 0.09 0.00 0.00 178.44 178.12 1y7h h GLU 254 N 0.15 0.31 -0.26 1.13 4.81 -1.09 -2.68 114.58 116.94 1y7h h GLU 254 Ca 0.02 -0.36 -0.04 0.00 -0.13 0.00 0.00 59.36 58.84 1y7h h GLU 254 Cb 0.74 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.23 1y7h h GLU 254 CO 0.06 1.07 0.01 0.82 -0.73 0.00 0.00 179.01 180.24 1y7h h ILE 255 N 0.16 1.25 -0.01 2.32 2.04 -1.01 0.34 117.51 122.61 1y7h h ILE 255 Ca -0.08 -0.89 0.03 0.00 1.00 0.00 0.00 64.86 64.93 1y7h h ILE 255 Cb 1.62 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 38.97 1y7h h ILE 255 CO 0.16 0.28 -0.39 0.00 0.00 0.00 0.00 178.15 178.20 1y7h h ALA 256 N 0.82 -0.60 -0.74 1.87 0.00 -1.23 0.81 119.26 120.19 1y7h h ALA 256 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1y7h h ALA 256 Cb 0.40 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 1y7h h ALA 256 CO 0.01 -0.91 0.47 1.25 0.00 0.00 0.00 179.25 180.07 1y7h h HIS 257 N -0.54 0.95 0.00 0.00 -0.00 -1.37 -2.57 115.15 111.61 1y7h h HIS 257 Ca 0.05 0.01 -0.14 0.00 -0.00 0.00 0.00 60.37 60.30 1y7h h HIS 257 Cb 0.62 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.70 1y7h h HIS 257 CO -0.40 0.61 -0.67 0.87 -0.00 0.00 0.00 177.93 178.34 1y7h h LYS 258 N 1.01 0.00 -2.25 5.26 1.79 0.67 -3.34 116.57 119.71 1y7h h LYS 258 Ca 0.27 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 58.14 1y7h h LYS 258 Cb -0.09 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.15 1y7h h LYS 258 CO -0.06 0.67 -0.57 0.66 -1.08 0.00 0.00 179.45 179.07 1y7h n TYR 259 N -3.43 3.98 1.17 -1.35 4.01 0.27 -5.05 117.16 116.76 1y7h n TYR 259 Ca 0.00 -3.89 0.13 0.00 -0.16 0.00 0.00 57.90 53.98 1y7h n TYR 259 Cb 0.74 -0.50 0.24 0.00 -0.31 0.00 0.00 39.34 39.51 1y7h n TYR 259 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67