#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y7i s GLY 4 N 0.00 1.71 0.12 8.31 0.00 -1.26 -5.02 107.32 111.18 1y7i s GLY 4 Ca 0.00 0.43 0.03 0.00 0.00 0.00 0.00 44.72 45.18 1y7i s GLY 4 CO 0.00 0.81 -0.09 0.54 0.00 0.00 0.00 173.10 174.36 1y7i s LYS 5 N -4.75 0.94 -0.35 2.90 -0.14 -1.26 -5.01 119.74 112.07 1y7i s LYS 5 Ca 0.64 -1.36 -0.08 0.00 -1.36 0.00 0.00 55.97 53.80 1y7i s LYS 5 Cb -0.20 -0.45 0.03 0.00 -1.68 0.00 0.00 37.83 35.53 1y7i s LYS 5 CO 0.56 0.04 0.15 -1.58 -0.76 0.00 0.00 175.35 173.76 1y7i s HIS 6 N -3.31 3.24 -0.23 3.18 5.65 -1.26 -0.38 115.29 122.19 1y7i s HIS 6 Ca 0.13 -1.16 -0.17 0.00 0.25 0.00 0.00 55.06 54.11 1y7i s HIS 6 Cb 0.03 -2.35 -0.03 0.00 -1.18 0.00 0.00 32.58 29.05 1y7i s HIS 6 CO -0.01 -0.67 0.47 -0.06 -0.65 0.00 0.00 174.74 173.81 1y7i s PHE 7 N 1.48 3.32 -0.37 3.88 0.08 0.14 -1.51 117.98 125.00 1y7i s PHE 7 Ca 0.00 0.64 -0.10 0.00 0.12 0.00 0.00 56.93 57.59 1y7i s PHE 7 Cb -0.19 -2.64 0.03 0.00 -0.57 0.00 0.00 43.02 39.65 1y7i s PHE 7 CO 0.05 -0.15 0.19 0.08 -0.10 0.00 0.00 175.22 175.29 1y7i s VAL 8 N 1.83 4.51 -0.20 -0.44 1.01 -0.32 -0.71 120.40 126.09 1y7i s VAL 8 Ca 0.21 -0.85 -0.16 0.00 0.00 0.00 0.00 61.98 61.18 1y7i s VAL 8 Cb -0.15 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1y7i s VAL 8 CO 0.09 -0.21 0.39 -0.76 0.00 0.00 0.00 175.10 174.61 1y7i s LEU 9 N 1.55 4.17 -0.28 3.92 1.43 0.01 -1.36 118.68 128.11 1y7i s LEU 9 Ca 0.02 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 1y7i s LEU 9 Cb -0.19 -2.50 0.06 0.00 0.03 0.00 0.00 46.19 43.59 1y7i s LEU 9 CO 0.06 -0.05 -0.06 -0.69 0.23 0.00 0.00 176.35 175.84 1y7i s VAL 10 N 1.20 2.51 1.04 -1.59 1.01 0.62 -2.99 120.40 122.20 1y7i s VAL 10 Ca 0.19 -1.58 -0.12 0.00 0.00 0.00 0.00 61.98 60.47 1y7i s VAL 10 Cb -0.15 -2.48 0.21 0.00 0.00 0.00 0.00 36.38 33.97 1y7i s VAL 10 CO 0.08 -0.09 1.07 -1.38 0.00 0.00 0.00 175.10 174.78 1y7i s HIS 11 N 1.15 1.65 0.00 5.22 -3.43 -1.26 -1.17 115.29 117.45 1y7i s HIS 11 Ca -0.06 1.34 0.00 0.00 -0.80 0.00 0.00 55.06 55.54 1y7i s HIS 11 Cb -0.20 -3.18 0.00 0.00 -1.43 0.00 0.00 32.58 27.77 1y7i s HIS 11 CO -0.04 -3.26 0.00 0.41 -2.00 0.00 0.00 174.74 169.85 1y7i n GLY 12 N 0.15 0.67 3.76 -1.38 0.00 -1.18 -3.62 105.19 103.58 1y7i n GLY 12 Ca 0.06 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 1y7i n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y7i s ALA 13 N -2.87 3.51 0.00 4.61 0.00 -1.26 -2.93 121.76 122.82 1y7i s ALA 13 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1y7i s ALA 13 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1y7i s ALA 13 CO 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 175.76 175.17 1y7i n HIS 15 N -2.00 -1.09 -3.67 0.00 -0.00 -1.15 -2.08 115.22 105.22 1y7i n HIS 15 Ca 0.00 -0.60 -0.05 0.00 -0.00 0.00 0.00 57.72 57.07 1y7i n HIS 15 Cb 0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.99 29.87 1y7i n HIS 15 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1y7i n GLY 16 N 3.31 2.64 0.35 -1.41 0.00 -1.26 -3.91 105.19 104.91 1y7i n GLY 16 Ca -0.01 -1.41 0.17 0.00 0.00 0.00 0.00 46.02 44.77 1y7i n GLY 16 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1y7i h GLY 17 N 0.67 0.00 1.57 -0.02 0.00 -1.71 -0.78 103.07 102.79 1y7i h GLY 17 Ca -0.09 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.27 1y7i h GLY 17 CO 0.13 0.00 0.19 0.11 0.00 0.00 0.00 176.54 176.96 1y7i h TRP 18 N 0.00 0.00 -0.04 5.60 5.08 -1.88 -2.22 115.95 122.50 1y7i h TRP 18 Ca 0.18 0.00 0.01 0.00 1.08 0.00 0.00 58.89 60.17 1y7i h TRP 18 Cb 0.76 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.92 1y7i h TRP 18 CO 0.00 0.00 0.04 0.77 -1.28 0.00 0.00 178.44 177.97 1y7i h SER 19 N 0.00 0.00 -0.58 0.11 0.02 -1.54 -2.31 113.55 109.25 1y7i h SER 19 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1y7i h SER 19 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 1y7i h SER 19 CO -0.00 0.00 0.00 0.79 -1.14 0.00 0.00 176.83 176.48 1y7i n TRP 20 N -3.91 0.99 0.27 3.45 7.02 -0.83 -4.57 117.44 119.86 1y7i n TRP 20 Ca -0.02 -0.44 0.18 0.00 -1.02 0.00 0.00 57.50 56.20 1y7i n TRP 20 Cb 0.13 -0.09 0.91 0.00 -2.42 0.00 0.00 31.31 29.84 1y7i n TRP 20 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 1y7i h TYR 21 N 3.49 0.00 0.03 -5.99 -0.00 -1.60 0.32 116.97 113.22 1y7i h TYR 21 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 58.73 58.44 1y7i h TYR 21 Cb 0.99 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.69 1y7i h TYR 21 CO 0.51 0.00 -1.58 0.87 -0.00 0.00 0.00 178.16 177.95 1y7i h LYS 22 N 0.00 0.06 0.23 0.10 1.57 -1.86 -3.39 116.57 113.29 1y7i h LYS 22 Ca 0.05 -0.10 -0.34 0.00 -1.87 0.00 0.00 60.65 58.38 1y7i h LYS 22 Cb 0.48 0.04 0.03 0.00 0.08 0.00 0.00 32.23 32.85 1y7i h LYS 22 CO -0.00 0.74 -1.56 1.25 -0.57 0.00 0.00 179.45 179.31 1y7i h LEU 23 N 0.02 0.77 -0.59 2.94 5.85 -1.46 -3.37 115.31 119.46 1y7i h LEU 23 Ca -0.24 -0.90 0.12 0.00 0.84 0.00 0.00 57.88 57.69 1y7i h LEU 23 Cb 1.97 -0.25 -0.12 0.00 0.37 0.00 0.00 40.66 42.64 1y7i h LEU 23 CO 0.10 1.73 -0.21 0.50 -0.34 0.00 0.00 178.44 180.22 1y7i h LYS 24 N 0.13 -0.06 -0.94 1.25 3.64 -1.19 -1.17 116.57 118.23 1y7i h LYS 24 Ca -0.28 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.12 1y7i h LYS 24 Cb 2.15 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.93 1y7i h LYS 24 CO 0.25 -0.04 0.62 -1.35 -2.27 0.00 0.00 179.45 176.66 1y7i h PRO 25 N -0.06 1.23 -0.14 1.90 0.11 -1.75 -1.96 132.00 131.33 1y7i h PRO 25 Ca 0.27 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 1y7i h PRO 25 Cb 0.49 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 1y7i h PRO 25 CO -0.64 0.81 0.06 -0.07 -0.21 0.00 0.00 178.00 177.95 1y7i h LEU 26 N 1.27 0.19 -0.98 2.35 4.07 -1.41 -0.96 115.31 119.84 1y7i h LEU 26 Ca 0.35 -0.16 -0.07 0.00 0.08 0.00 0.00 57.88 58.08 1y7i h LEU 26 Cb -0.13 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 1y7i h LEU 26 CO -0.08 0.30 0.01 -0.07 -1.08 0.00 0.00 178.44 177.52 1y7i h LEU 27 N 0.07 0.71 -0.67 1.67 3.38 -1.21 -2.64 115.31 116.61 1y7i h LEU 27 Ca 0.05 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 1y7i h LEU 27 Cb 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1y7i h LEU 27 CO -0.00 0.77 -0.35 -0.33 0.09 0.00 0.00 178.44 178.61 1y7i h GLU 28 N 0.70 0.63 0.00 1.13 5.08 -1.21 -2.18 114.58 118.74 1y7i h GLU 28 Ca 0.14 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 1y7i h GLU 28 Cb 0.42 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1y7i h GLU 28 CO 0.02 0.89 -0.07 0.00 -1.00 0.00 0.00 179.01 178.85 1y7i h ALA 29 N 1.08 1.08 -0.08 3.43 0.00 -0.87 -1.04 119.26 122.86 1y7i h ALA 29 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1y7i h ALA 29 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1y7i h ALA 29 CO 0.07 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.41 1y7i n ALA 30 N -2.16 2.57 -1.16 0.00 0.00 -0.86 -4.89 120.51 114.01 1y7i n ALA 30 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1y7i n ALA 30 Cb 0.26 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1y7i n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y7i n GLY 31 N 1.00 0.74 3.64 0.00 0.00 -0.40 -5.04 105.19 105.14 1y7i n GLY 31 Ca 0.16 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 1y7i n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1y7i s HIS 32 N -2.00 2.62 -0.00 1.61 3.76 -0.94 -4.50 115.29 115.83 1y7i s HIS 32 Ca 0.00 -0.32 -0.07 0.00 -0.15 0.00 0.00 55.06 54.52 1y7i s HIS 32 Cb 0.00 -1.35 -0.05 0.00 1.11 0.00 0.00 32.58 32.29 1y7i s HIS 32 CO 0.00 0.53 0.27 0.21 -0.85 0.00 0.00 174.74 174.90 1y7i s LYS 33 N -3.71 3.59 -0.02 1.40 2.20 0.49 -4.14 119.74 119.55 1y7i s LYS 33 Ca 0.33 -0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 1y7i s LYS 33 Cb -0.04 -3.09 0.02 0.00 -1.51 0.00 0.00 37.83 33.21 1y7i s LYS 33 CO 0.20 0.66 -0.00 0.08 -0.36 0.00 0.00 175.35 175.93 1y7i s VAL 34 N -1.27 0.16 -0.19 4.02 1.01 -1.26 0.24 120.40 123.11 1y7i s VAL 34 Ca 0.26 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.33 1y7i s VAL 34 Cb -0.13 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.03 1y7i s VAL 34 CO 0.15 0.13 -0.18 -0.89 0.00 0.00 0.00 175.10 174.31 1y7i s THR 35 N 0.87 2.03 -0.93 3.92 2.01 0.11 -4.97 115.64 118.68 1y7i s THR 35 Ca -0.09 -1.03 -0.05 0.00 0.31 0.00 0.00 61.69 60.83 1y7i s THR 35 Cb -0.12 -1.89 0.23 0.00 0.01 0.00 0.00 72.50 70.73 1y7i s THR 35 CO -0.02 0.43 0.85 0.00 -0.69 0.00 0.00 174.62 175.19 1y7i s ALA 36 N 1.28 4.32 0.73 7.40 0.00 -1.26 -0.81 121.76 133.42 1y7i s ALA 36 Ca 0.03 -3.75 -0.16 0.00 0.00 0.00 0.00 51.96 48.08 1y7i s ALA 36 Cb -0.14 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 19.92 1y7i s ALA 36 CO -0.11 -2.17 1.19 -0.11 0.00 0.00 0.00 175.76 174.56 1y7i n LEU 37 N 2.68 4.88 -4.42 0.00 0.00 -1.16 -4.35 117.00 114.63 1y7i n LEU 37 Ca 0.20 0.69 -0.35 0.00 0.00 0.00 0.00 56.01 56.56 1y7i n LEU 37 Cb 0.39 -1.51 -0.13 0.00 0.00 0.00 0.00 43.42 42.17 1y7i n LEU 37 CO 0.39 -1.49 -0.34 -1.81 0.00 0.00 0.00 177.39 174.14 1y7i s ASP 38 N -1.75 4.72 0.95 1.96 -0.00 -1.26 -2.73 116.67 118.57 1y7i s ASP 38 Ca 0.77 -0.24 -0.16 0.00 -0.00 0.00 0.00 52.55 52.92 1y7i s ASP 38 Cb -0.34 -1.81 0.19 0.00 -0.00 0.00 0.00 42.92 40.97 1y7i s ASP 38 CO 0.47 0.05 1.32 -0.76 -0.00 0.00 0.00 175.17 176.24 1y7i s LEU 39 N 1.11 2.70 0.33 1.23 1.43 -1.26 -4.77 118.68 119.44 1y7i s LEU 39 Ca 0.02 0.30 -0.29 0.00 -1.03 0.00 0.00 54.13 53.13 1y7i s LEU 39 Cb -0.14 -2.37 -0.11 0.00 0.03 0.00 0.00 46.19 43.59 1y7i s LEU 39 CO 0.01 -2.69 1.56 0.00 0.23 0.00 0.00 176.35 175.46 1y7i n ALA 40 N -3.74 2.49 -2.39 4.21 0.00 -0.78 -2.14 120.51 118.16 1y7i n ALA 40 Ca 0.15 0.36 -0.17 0.00 0.00 0.00 0.00 53.44 53.78 1y7i n ALA 40 Cb 0.59 -2.45 -0.01 0.00 0.00 0.00 0.00 19.45 17.59 1y7i n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y7i n ALA 41 N 1.48 -0.68 -2.45 0.00 0.00 -1.26 -4.92 120.51 112.68 1y7i n ALA 41 Ca 0.06 0.14 -0.20 0.00 0.00 0.00 0.00 53.44 53.43 1y7i n ALA 41 Cb 0.38 -1.86 -0.11 0.00 0.00 0.00 0.00 19.45 17.85 1y7i n ALA 41 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1y7i s SER 42 N -2.05 2.46 1.86 0.00 0.01 -0.91 -4.82 113.70 110.24 1y7i s SER 42 Ca 0.00 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.40 1y7i s SER 42 Cb 0.00 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1y7i s SER 42 CO 0.00 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.18 1y7i n GLY 43 N 0.31 3.84 0.88 3.44 0.00 -1.25 -1.19 105.19 111.21 1y7i n GLY 43 Ca -0.13 0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.17 1y7i n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1y7i n THR 44 N 0.00 1.46 -1.94 2.61 -2.24 -1.26 -4.98 114.28 107.93 1y7i n THR 44 Ca 0.00 -1.26 -0.42 0.00 -2.27 0.00 0.00 64.05 60.10 1y7i n THR 44 Cb 0.00 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 1y7i n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1y7i s ASP 45 N -1.24 6.60 0.00 3.42 2.15 -0.34 -4.88 116.67 122.39 1y7i s ASP 45 Ca 0.34 2.58 0.26 0.00 0.43 0.00 0.00 52.55 56.16 1y7i s ASP 45 Cb 0.22 -2.59 1.52 0.00 -0.30 0.00 0.00 42.92 41.76 1y7i s ASP 45 CO 0.16 -0.82 1.89 0.18 -0.17 0.00 0.00 175.17 176.41 1y7i n LEU 46 N 4.19 0.00 -4.80 -1.34 4.77 -1.26 -4.42 117.00 114.15 1y7i n LEU 46 Ca 0.14 0.03 -0.32 0.00 -0.03 0.00 0.00 56.01 55.83 1y7i n LEU 46 Cb 0.39 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.50 1y7i n LEU 46 CO 0.61 -0.01 0.71 -0.13 -1.33 0.00 0.00 177.39 177.25 1y7i s ARG 47 N -2.06 2.92 0.15 3.23 0.52 -1.26 -5.01 118.95 117.44 1y7i s ARG 47 Ca 0.37 1.13 0.05 0.00 -0.52 0.00 0.00 55.73 56.76 1y7i s ARG 47 Cb 0.18 -1.98 -0.04 0.00 0.52 0.00 0.00 34.95 33.63 1y7i s ARG 47 CO 0.31 -1.12 0.12 0.15 0.02 0.00 0.00 175.30 174.77 1y7i s LYS 48 N -4.59 2.87 0.21 3.54 3.01 -1.26 -4.17 119.74 119.36 1y7i s LYS 48 Ca 0.61 -0.84 -0.07 0.00 -1.01 0.00 0.00 55.97 54.66 1y7i s LYS 48 Cb -0.16 -2.65 0.16 0.00 -1.01 0.00 0.00 37.83 34.18 1y7i s LYS 48 CO 0.48 0.50 1.71 0.97 0.51 0.00 0.00 175.35 179.51 1y7i h ILE 49 N 2.17 1.26 0.00 2.17 6.09 -1.87 -1.28 117.51 126.05 1y7i h ILE 49 Ca -0.47 -1.04 0.00 0.00 -1.37 0.00 0.00 64.86 61.98 1y7i h ILE 49 Cb 1.19 0.69 0.00 0.00 0.47 0.00 0.00 36.82 39.18 1y7i h ILE 49 CO 0.63 0.38 0.00 -0.62 -3.07 0.00 0.00 178.15 175.48 1y7i n GLU 50 N -4.21 0.06 0.01 2.19 4.71 -1.26 -0.54 120.64 121.60 1y7i n GLU 50 Ca 0.04 0.27 0.11 0.00 -0.01 0.00 0.00 57.16 57.57 1y7i n GLU 50 Cb 0.30 -1.50 0.13 0.00 -1.01 0.00 0.00 31.44 29.36 1y7i n GLU 50 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1y7i n GLU 51 N -1.34 0.08 -3.94 3.49 2.13 -0.48 -4.85 120.64 115.72 1y7i n GLU 51 Ca 0.02 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.50 1y7i n GLU 51 Cb 0.05 -1.53 -0.09 0.00 0.27 0.00 0.00 31.44 30.14 1y7i n GLU 51 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1y7i s LEU 52 N -3.26 3.93 -0.01 4.31 1.43 0.30 -4.96 118.68 120.41 1y7i s LEU 52 Ca 0.09 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1y7i s LEU 52 Cb 0.16 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 1y7i s LEU 52 CO 0.75 0.18 0.05 0.54 0.23 0.00 0.00 176.35 178.11 1y7i n ARG 53 N 3.47 1.04 -4.42 1.70 1.74 -1.26 -5.02 116.66 113.92 1y7i n ARG 53 Ca -0.17 -0.02 -0.21 0.00 -0.77 0.00 0.00 57.85 56.69 1y7i n ARG 53 Cb 0.52 -1.08 -0.10 0.00 -1.02 0.00 0.00 32.46 30.78 1y7i n ARG 53 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1y7i s THR 54 N -2.18 0.94 0.23 0.55 -4.23 -1.26 -4.71 115.64 104.98 1y7i s THR 54 Ca -0.01 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.44 1y7i s THR 54 Cb 0.02 -2.70 0.12 0.00 1.34 0.00 0.00 72.50 71.28 1y7i s THR 54 CO 0.13 0.00 1.74 0.25 -0.54 0.00 0.00 174.62 176.20 1y7i h LEU 55 N 2.14 0.97 -0.43 4.79 5.85 -1.94 -2.92 115.31 123.78 1y7i h LEU 55 Ca -0.39 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.15 1y7i h LEU 55 Cb 1.25 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1y7i h LEU 55 CO 0.66 0.95 0.21 0.22 -0.34 0.00 0.00 178.44 180.14 1y7i h TYR 56 N 0.97 0.39 -0.90 1.25 5.03 -1.96 0.60 116.97 122.34 1y7i h TYR 56 Ca 0.20 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.60 1y7i h TYR 56 Cb 0.38 -0.11 -0.06 0.00 1.55 0.00 0.00 36.73 38.49 1y7i h TYR 56 CO 0.03 0.20 0.58 -0.44 -1.32 0.00 0.00 178.16 177.21 1y7i h ASP 57 N 0.42 0.89 0.24 -2.11 3.32 -1.93 0.12 116.42 117.38 1y7i h ASP 57 Ca 0.18 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.06 1y7i h ASP 57 Cb 0.09 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1y7i h ASP 57 CO -0.13 0.56 -0.73 0.22 -1.72 0.00 0.00 179.24 177.44 1y7i h TYR 58 N 1.00 0.57 -0.00 4.55 3.20 -1.22 -3.22 116.97 121.85 1y7i h TYR 58 Ca 0.39 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1y7i h TYR 58 Cb 0.23 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.41 1y7i h TYR 58 CO -0.00 1.01 -0.24 2.41 -1.64 0.00 0.00 178.16 179.70 1y7i n THR 59 N -3.84 0.00 -0.34 1.81 -1.04 0.13 -1.86 114.28 109.14 1y7i n THR 59 Ca -0.04 -0.01 0.14 0.00 -2.04 0.00 0.00 64.05 62.09 1y7i n THR 59 Cb 0.71 -0.10 0.28 0.00 -1.82 0.00 0.00 70.33 69.40 1y7i n THR 59 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1y7i h LEU 60 N 0.10 -0.48 -1.40 -4.42 5.85 -0.79 0.49 115.31 114.66 1y7i h LEU 60 Ca 0.00 0.28 0.01 0.00 0.84 0.00 0.00 57.88 59.01 1y7i h LEU 60 Cb 0.48 0.48 -0.03 0.00 0.37 0.00 0.00 40.66 41.96 1y7i h LEU 60 CO 0.00 -0.34 0.42 -0.65 -0.34 0.00 0.00 178.44 177.52 1y7i h PRO 61 N 0.02 0.80 -0.97 5.25 0.11 -1.85 0.12 132.00 135.47 1y7i h PRO 61 Ca 0.59 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.65 1y7i h PRO 61 Cb 1.19 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1y7i h PRO 61 CO -0.91 0.53 0.00 -0.11 -0.21 0.00 0.00 178.00 177.30 1y7i n LEU 62 N -4.45 0.91 0.00 2.35 0.00 0.17 -2.22 117.00 113.77 1y7i n LEU 62 Ca 0.07 -0.45 0.00 0.00 0.00 0.00 0.00 56.01 55.62 1y7i n LEU 62 Cb 0.07 -0.23 0.00 0.00 0.00 0.00 0.00 43.42 43.26 1y7i n LEU 62 CO 0.36 0.17 0.00 -0.62 0.00 0.00 0.00 177.39 177.30 1y7i n GLU 64 N 0.51 0.00 0.00 1.96 1.02 0.40 -4.66 120.64 119.87 1y7i n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1y7i n GLU 64 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.59 1y7i n GLU 64 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1y7i n LEU 65 N 0.00 0.44 0.00 -4.62 0.00 -0.94 -1.38 117.00 110.50 1y7i n LEU 65 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 56.01 55.79 1y7i n LEU 65 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 43.42 43.28 1y7i n LEU 65 CO 0.00 0.09 0.00 1.21 0.00 0.00 0.00 177.39 178.69 1y7i n GLU 67 N 0.49 0.00 0.16 1.96 4.07 -1.26 -2.00 120.64 124.05 1y7i n GLU 67 Ca 0.00 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.23 1y7i n GLU 67 Cb 0.09 0.00 0.48 0.00 -0.06 0.00 0.00 31.44 31.95 1y7i n GLU 67 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1y7i h SER 68 N 0.00 0.00 -3.76 4.31 0.87 -1.62 -3.46 113.55 109.89 1y7i h SER 68 Ca 0.00 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 60.00 1y7i h SER 68 Cb 0.00 0.00 0.13 0.00 -0.44 0.00 0.00 62.40 62.09 1y7i h SER 68 CO 0.00 0.00 0.52 0.18 -0.53 0.00 0.00 176.83 177.00 1y7i n LEU 69 N -2.47 4.64 -4.77 2.23 4.77 -0.85 -4.98 117.00 115.58 1y7i n LEU 69 Ca 0.03 1.04 -0.30 0.00 -0.03 0.00 0.00 56.01 56.75 1y7i n LEU 69 Cb 0.32 -1.53 0.10 0.00 -2.33 0.00 0.00 43.42 39.98 1y7i n LEU 69 CO 0.25 -0.67 0.69 -0.55 -1.33 0.00 0.00 177.39 175.79 1y7i s SER 70 N -0.71 4.26 0.35 -1.43 0.15 -1.26 -4.93 113.70 110.13 1y7i s SER 70 Ca 0.66 1.56 0.03 0.00 0.70 0.00 0.00 55.95 58.89 1y7i s SER 70 Cb -0.46 -2.28 0.65 0.00 -1.71 0.00 0.00 66.02 62.22 1y7i s SER 70 CO 0.54 -2.15 1.99 0.00 1.20 0.00 0.00 173.24 174.82 1y7i h ALA 71 N -1.21 1.53 -0.78 5.45 0.00 -1.98 -2.19 119.26 120.08 1y7i h ALA 71 Ca -0.46 -0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.03 1y7i h ALA 71 Cb 1.26 -0.23 -0.21 0.00 0.00 0.00 0.00 17.79 18.61 1y7i h ALA 71 CO 0.55 0.41 0.39 -0.40 0.00 0.00 0.00 179.25 180.19 1y7i n ASP 72 N -4.42 3.90 -4.08 0.00 5.75 -1.26 -4.91 116.55 111.54 1y7i n ASP 72 Ca 0.05 -3.49 -0.32 0.00 -0.01 0.00 0.00 54.79 51.02 1y7i n ASP 72 Cb 0.08 -0.76 -0.16 0.00 -1.03 0.00 0.00 41.12 39.24 1y7i n ASP 72 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1y7i s GLU 73 N -3.18 2.66 0.36 0.11 2.12 -0.82 -5.12 118.70 114.84 1y7i s GLU 73 Ca 0.54 -0.75 0.09 0.00 0.36 0.00 0.00 54.97 55.20 1y7i s GLU 73 Cb 0.45 -2.41 -0.07 0.00 0.26 0.00 0.00 34.13 32.37 1y7i s GLU 73 CO 0.10 -0.24 -0.04 0.15 -0.54 0.00 0.00 175.26 174.68 1y7i s LYS 74 N 1.36 1.90 0.21 4.30 1.02 -1.26 -4.55 119.74 122.72 1y7i s LYS 74 Ca 0.04 -1.96 -0.04 0.00 0.02 0.00 0.00 55.97 54.03 1y7i s LYS 74 Cb -0.13 -1.72 -0.03 0.00 -0.52 0.00 0.00 37.83 35.42 1y7i s LYS 74 CO -0.12 0.08 0.23 0.14 -0.92 0.00 0.00 175.35 174.76 1y7i s VAL 75 N -2.63 0.00 -0.18 3.17 -7.23 -0.11 -4.52 120.40 108.90 1y7i s VAL 75 Ca 0.34 -1.82 -0.01 0.00 -1.81 0.00 0.00 61.98 58.68 1y7i s VAL 75 Cb 0.04 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.59 1y7i s VAL 75 CO 0.17 -0.02 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.18 1y7i s ILE 76 N -4.11 2.68 -0.02 -0.62 1.01 -0.57 -0.53 121.20 119.03 1y7i s ILE 76 Ca 0.34 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 60.10 1y7i s ILE 76 Cb 0.05 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.31 1y7i s ILE 76 CO 0.11 0.50 0.37 -0.76 0.00 0.00 0.00 174.94 175.15 1y7i s LEU 77 N 1.12 4.45 -0.15 2.97 1.43 -0.83 -1.17 118.68 126.50 1y7i s LEU 77 Ca 0.01 0.88 -0.01 0.00 -1.03 0.00 0.00 54.13 53.97 1y7i s LEU 77 Cb -0.14 -2.51 0.04 0.00 0.03 0.00 0.00 46.19 43.61 1y7i s LEU 77 CO -0.05 0.32 -0.02 -0.69 0.23 0.00 0.00 176.35 176.14 1y7i s VAL 78 N -0.99 0.85 -0.16 -1.59 1.01 -0.46 0.44 120.40 119.50 1y7i s VAL 78 Ca 0.22 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 1y7i s VAL 78 Cb -0.16 -1.09 -0.00 0.00 0.00 0.00 0.00 36.38 35.13 1y7i s VAL 78 CO 0.12 0.09 -0.14 -0.83 0.00 0.00 0.00 175.10 174.33 1y7i s GLY 79 N 1.75 1.49 -0.14 4.51 0.00 0.79 -0.28 107.32 115.44 1y7i s GLY 79 Ca 0.01 -1.06 -0.16 0.00 0.00 0.00 0.00 44.72 43.51 1y7i s GLY 79 CO -0.07 0.08 0.40 -1.58 0.00 0.00 0.00 173.10 171.93 1y7i s HIS 80 N 0.90 3.49 0.00 1.90 2.46 -0.32 -0.68 115.29 123.05 1y7i s HIS 80 Ca -0.03 0.77 0.00 0.00 0.47 0.00 0.00 55.06 56.26 1y7i s HIS 80 Cb -0.15 -2.47 0.00 0.00 -0.13 0.00 0.00 32.58 29.83 1y7i s HIS 80 CO -0.01 0.19 0.00 -1.13 -2.47 0.00 0.00 174.74 171.32 1y7i n SER 81 N 3.66 0.00 0.26 9.88 3.41 -0.69 0.50 113.62 130.64 1y7i n SER 81 Ca -0.09 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.68 1y7i n SER 81 Cb 0.52 0.00 0.88 0.00 -0.26 0.00 0.00 64.21 65.34 1y7i n SER 81 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1y7i h LEU 82 N 0.00 0.00 -2.25 1.04 5.85 -1.86 -0.89 115.31 117.20 1y7i h LEU 82 Ca 0.00 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1y7i h LEU 82 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1y7i h LEU 82 CO 0.00 0.00 0.25 1.23 -0.34 0.00 0.00 178.44 179.58 1y7i h GLY 83 N 0.00 0.00 -2.56 3.75 0.00 -0.01 -3.20 103.07 101.05 1y7i h GLY 83 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1y7i h GLY 83 CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1y7i n GLY 84 N -1.27 0.88 1.23 4.60 0.00 -0.50 -1.22 105.19 108.90 1y7i n GLY 84 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1y7i n GLY 84 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y7i n ASN 86 N 1.16 0.00 -0.24 1.61 4.13 -1.21 -1.99 115.26 118.72 1y7i n ASN 86 Ca 0.00 0.00 -0.05 0.00 1.68 0.00 0.00 54.58 56.21 1y7i n ASN 86 Cb 0.18 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.48 1y7i n ASN 86 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1y7i h LEU 87 N 0.00 0.76 -0.50 3.41 4.07 -1.48 -2.67 115.31 118.90 1y7i h LEU 87 Ca 0.00 -0.01 0.10 0.00 0.08 0.00 0.00 57.88 58.05 1y7i h LEU 87 Cb 0.00 -0.18 -0.09 0.00 1.08 0.00 0.00 40.66 41.47 1y7i h LEU 87 CO 0.00 0.54 -0.04 1.23 -1.08 0.00 0.00 178.44 179.09 1y7i h GLY 88 N 0.90 0.47 0.71 0.83 0.00 -1.68 -1.32 103.07 102.98 1y7i h GLY 88 Ca 0.26 0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.74 1y7i h GLY 88 CO -0.07 -0.16 0.40 1.41 0.00 0.00 0.00 176.54 178.11 1y7i h LEU 89 N 0.08 0.60 -1.91 3.11 4.07 -1.79 -0.70 115.31 118.78 1y7i h LEU 89 Ca 0.25 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.24 1y7i h LEU 89 Cb 0.39 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.03 1y7i h LEU 89 CO -0.45 0.39 0.00 0.00 -1.08 0.00 0.00 178.44 177.30 1y7i n ALA 90 N -2.35 1.90 0.00 1.53 0.00 -0.50 -2.51 120.51 118.58 1y7i n ALA 90 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1y7i n ALA 90 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1y7i n ALA 90 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1y7i n GLU 92 N 0.74 0.00 0.05 0.00 4.07 -0.27 -0.44 120.64 124.80 1y7i n GLU 92 Ca 0.00 0.00 -0.14 0.00 -0.06 0.00 0.00 57.16 56.96 1y7i n GLU 92 Cb 0.20 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.44 1y7i n GLU 92 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1y7i h LYS 93 N 0.00 0.17 -1.44 5.31 3.64 -1.75 -3.40 116.57 119.09 1y7i h LYS 93 Ca 0.00 -0.28 -0.52 0.00 -1.27 0.00 0.00 60.65 58.58 1y7i h LYS 93 Cb 0.00 0.11 -0.41 0.00 -0.41 0.00 0.00 32.23 31.51 1y7i h LYS 93 CO 0.00 1.02 -0.88 0.66 -2.27 0.00 0.00 179.45 177.97 1y7i n TYR 94 N -3.38 2.65 -0.19 1.91 4.01 0.42 -4.90 117.16 117.67 1y7i n TYR 94 Ca -0.12 -3.11 0.06 0.00 -0.16 0.00 0.00 57.90 54.57 1y7i n TYR 94 Cb 1.02 -0.21 0.35 0.00 -0.31 0.00 0.00 39.34 40.18 1y7i n TYR 94 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1y7i h PRO 95 N 2.75 0.75 0.00 -0.72 0.13 -1.78 -2.10 132.00 131.03 1y7i h PRO 95 Ca 0.16 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1y7i h PRO 95 Cb 0.97 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1y7i h PRO 95 CO 0.73 0.49 0.00 0.00 -0.23 0.00 0.00 178.00 178.99 1y7i n GLN 96 N -4.48 0.83 -0.06 0.86 -0.00 -1.26 -2.90 117.38 110.37 1y7i n GLN 96 Ca 0.11 0.00 0.03 0.00 -0.00 0.00 0.00 57.00 57.14 1y7i n GLN 96 Cb 0.23 -1.42 0.06 0.00 -0.00 0.00 0.00 30.24 29.12 1y7i n GLN 96 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1y7i n LYS 97 N -0.92 1.52 -3.94 2.61 5.02 -0.79 -4.95 118.16 116.72 1y7i n LYS 97 Ca 0.17 -1.39 -0.35 0.00 -2.02 0.00 0.00 58.31 54.72 1y7i n LYS 97 Cb 0.08 -1.14 -0.14 0.00 -0.02 0.00 0.00 35.03 33.80 1y7i n LYS 97 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1y7i s ILE 98 N -0.79 2.91 0.19 -0.18 1.01 -1.14 -0.94 121.20 122.25 1y7i s ILE 98 Ca 0.11 -1.23 -0.11 0.00 0.00 0.00 0.00 60.65 59.42 1y7i s ILE 98 Cb 0.06 -2.58 0.11 0.00 0.01 0.00 0.00 42.46 40.06 1y7i s ILE 98 CO 0.09 0.04 1.79 1.88 0.00 0.00 0.00 174.94 178.73 1y7i h TYR 99 N 8.00 0.93 -2.15 3.97 0.99 -1.12 -3.45 116.97 124.12 1y7i h TYR 99 Ca -0.26 -0.04 0.12 0.00 2.00 0.00 0.00 58.73 60.56 1y7i h TYR 99 Cb 1.08 -0.29 -0.16 0.00 1.00 0.00 0.00 36.73 38.36 1y7i h TYR 99 CO 0.60 0.68 0.53 0.00 -0.00 0.00 0.00 178.16 179.97 1y7i s ALA 100 N -5.77 -1.86 -0.16 3.88 0.00 -1.26 -4.51 121.76 112.09 1y7i s ALA 100 Ca -0.13 1.11 -0.01 0.00 0.00 0.00 0.00 51.96 52.94 1y7i s ALA 100 Cb 0.14 0.30 -0.00 0.00 0.00 0.00 0.00 23.12 23.55 1y7i s ALA 100 CO 0.79 -0.66 -0.13 0.00 0.00 0.00 0.00 175.76 175.77 1y7i s ALA 101 N -2.93 2.58 -0.23 0.00 0.00 0.54 -1.97 121.76 119.75 1y7i s ALA 101 Ca 0.05 -1.04 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 1y7i s ALA 101 Cb -0.01 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 1y7i s ALA 101 CO -0.08 -0.07 0.01 0.08 0.00 0.00 0.00 175.76 175.71 1y7i s VAL 102 N 0.87 3.87 -0.43 0.00 1.01 0.17 -0.77 120.40 125.12 1y7i s VAL 102 Ca -0.04 -0.33 -0.13 0.00 0.00 0.00 0.00 61.98 61.49 1y7i s VAL 102 Cb -0.15 -2.78 0.06 0.00 0.00 0.00 0.00 36.38 33.51 1y7i s VAL 102 CO -0.00 0.39 0.31 -0.36 0.00 0.00 0.00 175.10 175.44 1y7i s PHE 103 N 1.44 3.26 -0.42 5.22 0.40 0.13 -0.15 117.98 127.87 1y7i s PHE 103 Ca 0.05 -1.00 -0.20 0.00 -0.60 0.00 0.00 56.93 55.18 1y7i s PHE 103 Cb -0.15 -2.87 0.02 0.00 0.51 0.00 0.00 43.02 40.53 1y7i s PHE 103 CO 0.01 -0.74 0.61 -1.17 0.70 0.00 0.00 175.22 174.62 1y7i s LEU 104 N 1.58 4.52 -1.25 -0.37 0.20 0.15 -0.52 118.68 122.99 1y7i s LEU 104 Ca 0.04 -0.32 -0.04 0.00 0.69 0.00 0.00 54.13 54.49 1y7i s LEU 104 Cb -0.22 -2.68 0.01 0.00 -0.43 0.00 0.00 46.19 42.87 1y7i s LEU 104 CO 0.06 -0.72 0.08 0.00 -0.29 0.00 0.00 176.35 175.49 1y7i n ALA 105 N 6.12 -1.91 -2.57 5.97 0.00 -0.71 -1.70 120.51 125.71 1y7i n ALA 105 Ca -0.03 -0.37 -0.29 0.00 0.00 0.00 0.00 53.44 52.76 1y7i n ALA 105 Cb 0.48 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 1y7i n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y7i s ALA 106 N -4.10 3.98 0.75 0.00 0.00 -1.26 -2.60 121.76 118.52 1y7i s ALA 106 Ca 0.06 -1.23 -0.00 0.00 0.00 0.00 0.00 51.96 50.78 1y7i s ALA 106 Cb -0.03 -0.26 0.15 0.00 0.00 0.00 0.00 23.12 22.97 1y7i s ALA 106 CO 0.83 -0.18 1.03 -0.06 0.00 0.00 0.00 175.76 177.37 1y7i s PHE 107 N -2.76 1.22 0.31 0.00 0.40 -0.46 -4.85 117.98 111.83 1y7i s PHE 107 Ca 0.25 -0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 56.17 1y7i s PHE 107 Cb 0.02 -2.97 -0.01 0.00 0.51 0.00 0.00 43.02 40.57 1y7i s PHE 107 CO 0.14 -1.87 0.37 -2.14 0.70 0.00 0.00 175.22 172.42 1y7i s PRO 109 N -5.19 1.71 0.11 0.24 0.02 -1.26 -4.08 135.00 126.56 1y7i s PRO 109 Ca 0.68 -1.75 -0.02 0.00 0.02 0.00 0.00 61.00 59.93 1y7i s PRO 109 Cb -0.04 0.39 -0.04 0.00 0.02 0.00 0.00 34.50 34.83 1y7i s PRO 109 CO 0.45 -0.67 0.06 0.16 -0.33 0.00 0.00 177.00 176.67 1y7i s ASP 110 N -3.24 0.32 -0.70 2.53 1.47 -1.26 -4.99 116.67 110.80 1y7i s ASP 110 Ca 0.34 -1.12 -0.00 0.00 1.18 0.00 0.00 52.55 52.94 1y7i s ASP 110 Cb 0.02 0.29 0.39 0.00 -0.34 0.00 0.00 42.92 43.27 1y7i s ASP 110 CO 0.20 -0.71 1.82 -1.54 0.68 0.00 0.00 175.17 175.62 1y7i n SER 111 N -0.06 6.94 0.07 2.11 3.41 -1.26 -4.50 113.62 120.33 1y7i n SER 111 Ca -0.08 -3.80 0.00 0.00 -0.26 0.00 0.00 58.87 54.73 1y7i n SER 111 Cb 0.63 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 1y7i n SER 111 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1y7i n VAL 112 N -0.63 0.29 -2.79 -3.33 0.31 -1.26 -4.26 118.33 106.67 1y7i n VAL 112 Ca 0.53 0.10 -0.13 0.00 -0.01 0.00 0.00 64.34 64.83 1y7i n VAL 112 Cb 0.45 -0.92 0.05 0.00 -0.91 0.00 0.00 33.84 32.51 1y7i n VAL 112 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1y7i n HIS 113 N -3.17 -2.80 -1.78 3.52 8.25 -1.26 -5.06 115.22 112.91 1y7i n HIS 113 Ca 0.00 -1.18 -0.36 0.00 -0.26 0.00 0.00 57.72 55.92 1y7i n HIS 113 Cb 0.08 -0.38 0.06 0.00 1.12 0.00 0.00 29.99 30.88 1y7i n HIS 113 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1y7i s ASN 114 N -3.27 4.71 0.30 0.41 0.02 -1.26 -4.86 114.94 110.99 1y7i s ASN 114 Ca 0.38 2.53 0.21 0.00 -1.02 0.00 0.00 52.86 54.95 1y7i s ASN 114 Cb -0.03 -2.61 1.11 0.00 0.02 0.00 0.00 41.25 39.74 1y7i s ASN 114 CO 0.24 -1.93 1.63 -1.20 0.02 0.00 0.00 177.10 175.87 1y7i n SER 115 N -1.92 0.54 -0.00 -1.22 7.64 -0.73 -0.47 113.62 117.45 1y7i n SER 115 Ca 0.15 0.75 0.12 0.00 1.01 0.00 0.00 58.87 60.90 1y7i n SER 115 Cb 0.49 -0.82 0.31 0.00 -1.01 0.00 0.00 64.21 63.18 1y7i n SER 115 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1y7i n SER 116 N -2.22 0.43 -0.29 6.43 3.41 -1.09 -4.50 113.62 115.79 1y7i n SER 116 Ca -0.01 -0.14 -0.08 0.00 -0.26 0.00 0.00 58.87 58.38 1y7i n SER 116 Cb 0.04 0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.05 1y7i n SER 116 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1y7i n PHE 117 N -1.48 -0.30 -0.35 7.33 7.35 0.38 -0.54 117.46 129.84 1y7i n PHE 117 Ca 0.06 0.86 0.07 0.00 -0.76 0.00 0.00 57.45 57.68 1y7i n PHE 117 Cb 0.34 -0.55 0.24 0.00 0.35 0.00 0.00 39.48 39.86 1y7i n PHE 117 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1y7i h VAL 118 N 0.00 0.89 -0.06 -2.13 2.07 -1.81 0.39 116.25 115.59 1y7i h VAL 118 Ca 0.11 -0.32 -0.13 0.00 0.82 0.00 0.00 66.70 67.18 1y7i h VAL 118 Cb 0.28 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1y7i h VAL 118 CO -0.65 0.17 -0.56 -0.07 0.02 0.00 0.00 177.57 176.49 1y7i h LEU 119 N 0.93 0.21 0.01 2.57 3.38 -1.46 -2.53 115.31 118.42 1y7i h LEU 119 Ca 0.50 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.36 1y7i h LEU 119 Cb 0.53 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1y7i h LEU 119 CO -0.28 0.72 -0.00 -0.08 0.09 0.00 0.00 178.44 178.88 1y7i h GLU 120 N 0.14 -0.01 -0.99 1.13 4.57 0.12 -2.52 114.58 117.02 1y7i h GLU 120 Ca -0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1y7i h GLU 120 Cb 1.02 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.55 1y7i h GLU 120 CO 0.08 0.32 0.64 1.96 -1.18 0.00 0.00 179.01 180.83 1y7i h GLN 121 N -0.35 1.14 -0.16 1.92 1.08 -1.04 -1.50 115.11 116.20 1y7i h GLN 121 Ca -0.00 -0.07 0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1y7i h GLN 121 Cb 0.34 -0.26 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1y7i h GLN 121 CO 0.00 0.75 0.03 -0.92 -0.95 0.00 0.00 178.83 177.75 1y7i h TYR 122 N 1.17 0.05 -0.42 2.96 3.20 -1.32 -0.34 116.97 122.27 1y7i h TYR 122 Ca 0.42 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.30 1y7i h TYR 122 Cb 0.14 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 1y7i h TYR 122 CO -0.01 0.02 0.28 -0.97 -1.64 0.00 0.00 178.16 175.84 1y7i h ASN 123 N 0.10 0.48 0.84 -2.11 -0.00 -0.97 0.73 115.58 114.65 1y7i h ASN 123 Ca 0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.36 1y7i h ASN 123 Cb 0.06 -0.12 0.00 0.00 -0.00 0.00 0.00 38.32 38.26 1y7i h ASN 123 CO -0.10 0.35 0.00 -0.33 -0.00 0.00 0.00 177.43 177.35 1y7i h GLU 124 N 0.57 0.00 -0.16 6.67 5.08 -1.01 -2.69 114.58 123.04 1y7i h GLU 124 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1y7i h GLU 124 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1y7i h GLU 124 CO -0.03 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.52 1y7i n ARG 125 N -2.62 1.56 -4.37 2.33 1.74 -0.16 -4.94 116.66 110.19 1y7i n ARG 125 Ca 0.01 -1.60 -0.29 0.00 -0.77 0.00 0.00 57.85 55.21 1y7i n ARG 125 Cb 0.26 -1.27 -0.17 0.00 -1.02 0.00 0.00 32.46 30.26 1y7i n ARG 125 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1y7i s THR 126 N -1.06 1.51 0.43 0.55 2.01 0.19 -5.03 115.64 114.24 1y7i s THR 126 Ca 0.20 -0.64 -0.24 0.00 0.31 0.00 0.00 61.69 61.32 1y7i s THR 126 Cb 0.12 -1.39 -0.08 0.00 0.01 0.00 0.00 72.50 71.17 1y7i s THR 126 CO 0.17 0.44 1.18 -2.16 -0.69 0.00 0.00 174.62 173.56 1y7i s PRO 127 N 1.09 3.88 0.37 4.92 0.04 -1.26 -4.80 135.00 139.23 1y7i s PRO 127 Ca -0.04 1.83 0.26 0.00 0.04 0.00 0.00 61.00 63.08 1y7i s PRO 127 Cb -0.14 -2.53 1.33 0.00 0.04 0.00 0.00 34.50 33.19 1y7i s PRO 127 CO -0.03 -0.47 1.79 0.00 0.04 0.00 0.00 177.00 178.33 1y7i h ALA 128 N 2.30 1.00 0.00 8.56 0.00 -2.00 -2.07 119.26 127.06 1y7i h ALA 128 Ca -0.49 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1y7i h ALA 128 Cb 1.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1y7i h ALA 128 CO 0.61 0.00 -0.22 0.93 0.00 0.00 0.00 179.25 180.57 1y7i h GLU 129 N 0.00 0.00 0.00 0.00 3.07 -1.98 -3.21 114.58 112.46 1y7i h GLU 129 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 1y7i h GLU 129 Cb 0.09 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1y7i h GLU 129 CO 0.00 0.22 -0.21 -0.97 -1.40 0.00 0.00 179.01 176.66 1y7i h ASN 130 N 0.00 0.00 0.73 1.42 -1.24 -1.76 -2.89 115.58 111.84 1y7i h ASN 130 Ca -0.00 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 1y7i h ASN 130 Cb 0.86 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.90 1y7i h ASN 130 CO 0.03 0.21 -0.18 -0.50 -1.29 0.00 0.00 177.43 175.69 1y7i h TRP 131 N 0.00 0.00 0.00 0.67 4.06 -1.75 -3.47 115.95 115.46 1y7i h TRP 131 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1y7i h TRP 131 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 1y7i h TRP 131 CO 0.00 0.18 0.00 1.28 -3.56 0.00 0.00 178.44 176.34 1y7i n LEU 132 N -3.46 0.00 -1.68 -4.49 4.77 -1.09 -1.53 117.00 109.52 1y7i n LEU 132 Ca -0.01 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.02 1y7i n LEU 132 Cb 0.36 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.78 1y7i n LEU 132 CO 0.32 0.00 0.78 -0.90 -1.33 0.00 0.00 177.39 176.26 1y7i n ASP 133 N 8.73 4.90 -4.72 -1.43 3.85 -1.26 -4.96 116.55 121.65 1y7i n ASP 133 Ca 0.00 -2.80 -0.42 0.00 -0.71 0.00 0.00 54.79 50.87 1y7i n ASP 133 Cb 0.00 -0.66 -0.03 0.00 -1.35 0.00 0.00 41.12 39.08 1y7i n ASP 133 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1y7i s THR 134 N -2.48 3.09 -0.11 2.12 2.01 -0.58 -3.86 115.64 115.83 1y7i s THR 134 Ca 0.45 0.82 -0.19 0.00 0.31 0.00 0.00 61.69 63.08 1y7i s THR 134 Cb 0.35 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1y7i s THR 134 CO 0.13 0.08 0.51 -1.10 -0.69 0.00 0.00 174.62 173.55 1y7i s GLN 135 N 0.73 4.35 -0.38 4.92 -0.21 0.67 -4.92 119.66 124.82 1y7i s GLN 135 Ca 0.64 0.51 0.03 0.00 0.02 0.00 0.00 55.36 56.55 1y7i s GLN 135 Cb -0.39 -3.44 0.11 0.00 1.00 0.00 0.00 33.01 30.29 1y7i s GLN 135 CO 0.33 0.14 0.13 -0.06 -2.12 0.00 0.00 175.29 173.70 1y7i s PHE 136 N 0.68 3.03 0.00 0.91 0.08 -1.26 -0.54 117.98 120.89 1y7i s PHE 136 Ca 0.28 -2.73 0.03 0.00 0.12 0.00 0.00 56.93 54.63 1y7i s PHE 136 Cb -0.15 -2.55 -0.03 0.00 -0.57 0.00 0.00 43.02 39.72 1y7i s PHE 136 CO 0.11 -0.87 -0.06 -0.51 -0.10 0.00 0.00 175.22 173.79 1y7i s LEU 137 N 0.72 3.22 0.23 -0.37 1.43 -1.04 -4.90 118.68 117.97 1y7i s LEU 137 Ca 0.13 -0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 52.91 1y7i s LEU 137 Cb -0.21 -1.84 -0.08 0.00 0.03 0.00 0.00 46.19 44.08 1y7i s LEU 137 CO -0.09 0.28 0.73 -2.16 0.23 0.00 0.00 176.35 175.34 1y7i s PRO 138 N -1.45 4.23 0.00 1.29 0.04 -1.26 -0.05 135.00 137.80 1y7i s PRO 138 Ca 0.17 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1y7i s PRO 138 Cb -0.11 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.60 1y7i s PRO 138 CO 0.08 0.37 0.48 2.48 0.04 0.00 0.00 177.00 180.45 1y7i n TYR 139 N 0.61 0.00 0.00 0.56 4.11 -0.43 -4.92 117.16 117.09 1y7i n TYR 139 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.88 1y7i n TYR 139 Cb 0.51 0.06 0.00 0.00 -0.00 0.00 0.00 39.34 39.92 1y7i n TYR 139 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1y7i n GLY 140 N 0.00 1.98 3.22 -7.48 0.00 -1.16 -4.82 105.19 96.93 1y7i n GLY 140 Ca 0.00 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 1y7i n GLY 140 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y7i s SER 141 N -0.95 0.71 0.38 1.61 1.04 0.84 -4.78 113.70 112.54 1y7i s SER 141 Ca 0.00 -1.28 0.07 0.00 0.48 0.00 0.00 55.95 55.22 1y7i s SER 141 Cb 0.00 0.24 0.76 0.00 0.10 0.00 0.00 66.02 67.12 1y7i s SER 141 CO 0.00 -0.71 1.96 1.55 0.98 0.00 0.00 173.24 177.02 1y7i h PRO 142 N 2.66 0.44 0.19 4.02 0.13 -2.01 0.25 132.00 137.68 1y7i h PRO 142 Ca -0.36 -0.07 -0.33 0.00 -0.87 0.00 0.00 66.00 64.37 1y7i h PRO 142 Cb 1.22 -0.08 0.02 0.00 0.13 0.00 0.00 31.00 32.29 1y7i h PRO 142 CO 0.59 0.42 -1.60 0.93 -0.23 0.00 0.00 178.00 178.11 1y7i h GLU 143 N 0.43 0.41 -2.88 0.86 3.07 -2.07 -3.40 114.58 111.01 1y7i h GLU 143 Ca 0.10 -0.70 -0.61 0.00 -0.50 0.00 0.00 59.36 57.65 1y7i h GLU 143 Cb 0.19 0.26 -0.41 0.00 -0.84 0.00 0.00 28.75 27.95 1y7i h GLU 143 CO -0.00 1.34 -0.66 0.39 -1.40 0.00 0.00 179.01 178.68 1y7i n GLU 144 N -3.70 1.55 -2.27 2.33 4.71 -1.09 -5.11 120.64 117.07 1y7i n GLU 144 Ca -0.22 -4.24 -0.37 0.00 -0.01 0.00 0.00 57.16 52.32 1y7i n GLU 144 Cb 1.05 -2.15 -0.01 0.00 -1.01 0.00 0.00 31.44 29.31 1y7i n GLU 144 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1y7i s PRO 145 N -1.24 3.84 -0.02 3.49 0.04 0.87 -0.11 135.00 141.87 1y7i s PRO 145 Ca 0.27 1.79 -0.02 0.00 0.04 0.00 0.00 61.00 63.09 1y7i s PRO 145 Cb -0.01 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1y7i s PRO 145 CO -0.17 -0.49 0.05 -0.51 0.04 0.00 0.00 177.00 175.92 1y7i s LEU 146 N -2.88 1.82 -0.03 -3.56 1.43 -1.26 -4.76 118.68 109.44 1y7i s LEU 146 Ca 0.62 0.09 0.04 0.00 -1.03 0.00 0.00 54.13 53.85 1y7i s LEU 146 Cb -0.29 0.15 -0.01 0.00 0.03 0.00 0.00 46.19 46.08 1y7i s LEU 146 CO 0.36 -0.02 -0.16 -0.89 0.23 0.00 0.00 176.35 175.87 1y7i s THR 147 N 0.03 1.31 0.00 5.49 2.01 -1.26 -1.31 115.64 121.90 1y7i s THR 147 Ca -0.00 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.32 1y7i s THR 147 Cb -0.00 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.40 1y7i s THR 147 CO 0.00 0.38 0.00 -1.54 -0.69 0.00 0.00 174.62 172.77 1y7i n SER 148 N 2.94 0.25 0.00 3.53 3.41 0.93 -4.48 113.62 120.19 1y7i n SER 148 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.45 1y7i n SER 148 Cb 0.54 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1y7i n SER 148 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1y7i n PHE 150 N 0.00 0.00 -1.94 7.33 7.35 0.30 -2.50 117.46 128.01 1y7i n PHE 150 Ca 0.00 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.28 1y7i n PHE 150 Cb 0.00 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 39.82 1y7i n PHE 150 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 1y7i s PHE 151 N 0.00 2.79 0.54 -5.13 0.08 -1.26 -0.23 117.98 114.77 1y7i s PHE 151 Ca 0.00 1.26 0.03 0.00 0.12 0.00 0.00 56.93 58.34 1y7i s PHE 151 Cb 0.00 -3.88 0.04 0.00 -0.57 0.00 0.00 43.02 38.61 1y7i s PHE 151 CO 0.00 -2.54 0.75 0.20 -0.10 0.00 0.00 175.22 173.54 1y7i s GLY 152 N -0.25 1.84 0.51 4.36 0.00 -1.25 -4.84 107.32 107.68 1y7i s GLY 152 Ca 0.52 -1.51 0.15 0.00 0.00 0.00 0.00 44.72 43.88 1y7i s GLY 152 CO 0.58 -1.20 2.13 -0.56 0.00 0.00 0.00 173.10 174.05 1y7i h PRO 153 N 0.14 0.05 0.03 2.90 0.13 -1.95 -1.86 132.00 131.42 1y7i h PRO 153 Ca -0.40 -0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.60 1y7i h PRO 153 Cb 1.29 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.42 1y7i h PRO 153 CO 0.48 0.04 -0.51 0.87 -0.23 0.00 0.00 178.00 178.66 1y7i h LYS 154 N 0.05 0.29 -0.82 0.86 1.57 -1.95 -1.44 116.57 115.14 1y7i h LYS 154 Ca 0.01 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 1y7i h LYS 154 Cb 0.02 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1y7i h LYS 154 CO -0.00 1.07 0.47 0.35 -0.57 0.00 0.00 179.45 180.77 1y7i h PHE 155 N -0.33 1.10 0.18 -1.35 3.04 -1.79 0.16 116.94 117.96 1y7i h PHE 155 Ca -0.07 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.85 1y7i h PHE 155 Cb 1.28 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 39.43 1y7i h PHE 155 CO 0.17 0.76 -0.09 -0.07 -2.02 0.00 0.00 178.31 177.06 1y7i h LEU 156 N 1.13 -0.21 -0.61 0.59 3.38 -1.40 0.49 115.31 118.68 1y7i h LEU 156 Ca 0.29 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1y7i h LEU 156 Cb -0.00 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1y7i h LEU 156 CO -0.05 0.08 -0.13 0.00 0.09 0.00 0.00 178.44 178.42 1y7i h ALA 157 N 0.25 0.81 0.00 1.53 0.00 -1.07 0.47 119.26 121.25 1y7i h ALA 157 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1y7i h ALA 157 Cb 0.38 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1y7i h ALA 157 CO 0.04 0.66 -0.96 0.72 0.00 0.00 0.00 179.25 179.71 1y7i n HIS 158 N -4.14 0.00 0.00 0.00 8.25 0.53 -2.42 115.22 117.44 1y7i n HIS 158 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1y7i n HIS 158 Cb 0.41 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 1y7i n HIS 158 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1y7i n LYS 159 N -1.48 0.88 0.00 -0.41 4.76 0.14 -4.71 118.16 117.35 1y7i n LYS 159 Ca 0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1y7i n LYS 159 Cb 0.31 -0.92 0.00 0.00 -1.84 0.00 0.00 35.03 32.58 1y7i n LYS 159 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1y7i n LEU 160 N -1.31 1.45 -0.53 -0.35 4.77 -0.87 -0.53 117.00 119.63 1y7i n LEU 160 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 1y7i n LEU 160 Cb 0.00 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.27 1y7i n LEU 160 CO 0.00 0.24 0.63 -1.22 -1.33 0.00 0.00 177.39 175.72 1y7i n TYR 161 N -2.20 0.51 -0.33 -1.77 4.02 0.16 -3.48 117.16 114.08 1y7i n TYR 161 Ca 0.00 -0.80 0.33 0.00 -0.01 0.00 0.00 57.90 57.42 1y7i n TYR 161 Cb 0.48 -0.19 0.71 0.00 -0.02 0.00 0.00 39.34 40.31 1y7i n TYR 161 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 1y7i h GLN 162 N 1.17 0.07 -0.41 -0.72 -0.00 -1.67 0.20 115.11 113.76 1y7i h GLN 162 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1y7i h GLN 162 Cb 1.09 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 28.56 1y7i h GLN 162 CO 0.10 0.05 0.00 1.28 -0.00 0.00 0.00 178.83 180.26 1y7i n LEU 163 N -4.27 3.10 -5.01 0.06 4.77 -1.26 -4.99 117.00 109.39 1y7i n LEU 163 Ca 0.26 -1.96 -0.22 0.00 -0.03 0.00 0.00 56.01 54.06 1y7i n LEU 163 Cb 1.19 -0.27 0.08 0.00 -2.33 0.00 0.00 43.42 42.09 1y7i n LEU 163 CO 0.37 0.77 0.45 0.00 -1.33 0.00 0.00 177.39 177.65 1y7i s SER 165 N -4.69 6.07 0.53 0.00 1.04 -1.26 -4.96 113.70 110.43 1y7i s SER 165 Ca 0.64 0.53 0.23 0.00 0.48 0.00 0.00 55.95 57.83 1y7i s SER 165 Cb -0.06 -1.88 1.45 0.00 0.10 0.00 0.00 66.02 65.63 1y7i s SER 165 CO 0.42 -0.57 2.13 1.55 0.98 0.00 0.00 173.24 177.75 1y7i h PRO 166 N 0.43 0.00 -0.25 4.02 0.13 -1.99 -1.12 132.00 133.22 1y7i h PRO 166 Ca -0.47 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1y7i h PRO 166 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1y7i h PRO 166 CO 0.60 0.07 0.02 0.93 -0.23 0.00 0.00 178.00 179.39 1y7i h GLU 167 N 0.00 0.43 -0.74 0.86 3.07 -1.99 0.36 114.58 116.56 1y7i h GLU 167 Ca -0.00 -0.13 0.04 0.00 -0.50 0.00 0.00 59.36 58.78 1y7i h GLU 167 Cb 0.15 -0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 27.96 1y7i h GLU 167 CO 0.01 0.58 0.46 -0.44 -1.40 0.00 0.00 179.01 178.21 1y7i h ASP 168 N 0.21 0.73 -0.63 1.42 3.45 -1.64 0.27 116.42 120.23 1y7i h ASP 168 Ca 0.07 0.01 -0.06 0.00 0.43 0.00 0.00 57.03 57.49 1y7i h ASP 168 Cb 0.38 -0.14 -0.03 0.00 -0.56 0.00 0.00 39.33 38.97 1y7i h ASP 168 CO 0.01 0.49 0.17 0.25 -1.57 0.00 0.00 179.24 178.59 1y7i h LEU 169 N 0.87 0.94 -0.54 1.55 5.85 -0.88 -1.70 115.31 121.40 1y7i h LEU 169 Ca 0.31 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1y7i h LEU 169 Cb 0.09 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1y7i h LEU 169 CO -0.14 0.92 -0.01 0.00 -0.34 0.00 0.00 178.44 178.86 1y7i h ALA 170 N 1.06 0.72 0.07 1.25 0.00 -0.26 -1.46 119.26 120.65 1y7i h ALA 170 Ca 0.20 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1y7i h ALA 170 Cb 0.33 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1y7i h ALA 170 CO -0.00 0.56 -0.05 1.25 0.00 0.00 0.00 179.25 181.01 1y7i h LEU 171 N 0.83 -0.11 -1.03 0.00 5.85 -0.71 -2.56 115.31 117.59 1y7i h LEU 171 Ca 0.15 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1y7i h LEU 171 Cb 0.55 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 1y7i h LEU 171 CO 0.03 -0.08 0.66 0.00 -0.34 0.00 0.00 178.44 178.71 1y7i h ALA 172 N 0.81 1.30 0.00 1.25 0.00 -1.24 -2.19 119.26 119.18 1y7i h ALA 172 Ca -0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1y7i h ALA 172 Cb 0.10 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1y7i h ALA 172 CO 0.01 0.65 -0.15 1.03 0.00 0.00 0.00 179.25 180.79 1y7i h SER 173 N 1.34 0.00 0.23 0.00 0.87 -0.99 0.22 113.55 115.22 1y7i h SER 173 Ca 0.37 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1y7i h SER 173 Cb -0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1y7i h SER 173 CO -0.08 0.15 -0.28 -1.54 -0.53 0.00 0.00 176.83 174.54 1y7i n SER 174 N -4.27 1.08 0.00 6.23 3.41 -0.85 -4.43 113.62 114.78 1y7i n SER 174 Ca -0.02 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 1y7i n SER 174 Cb 0.22 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1y7i n SER 174 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1y7i n LEU 175 N -0.63 0.00 -4.73 1.04 4.77 -0.74 -5.06 117.00 111.64 1y7i n LEU 175 Ca 0.12 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 1y7i n LEU 175 Cb 0.36 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.44 1y7i n LEU 175 CO 0.26 0.00 1.03 1.33 -1.33 0.00 0.00 177.39 178.69 1y7i n VAL 176 N -1.57 1.85 -4.20 4.08 0.24 0.70 -4.77 118.33 114.66 1y7i n VAL 176 Ca 0.00 -0.46 -0.13 0.00 -2.04 0.00 0.00 64.34 61.71 1y7i n VAL 176 Cb 0.20 -1.77 -0.10 0.00 -1.47 0.00 0.00 33.84 30.70 1y7i n VAL 176 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1y7i s ARG 177 N -1.77 0.92 0.49 7.34 0.52 -0.88 -5.03 118.95 120.54 1y7i s ARG 177 Ca 0.56 -1.34 -0.24 0.00 -0.52 0.00 0.00 55.73 54.20 1y7i s ARG 177 Cb -0.53 -0.44 -0.07 0.00 0.52 0.00 0.00 34.95 34.43 1y7i s ARG 177 CO 0.61 0.04 1.36 -1.25 0.02 0.00 0.00 175.30 176.09 1y7i s PRO 178 N -3.55 3.48 0.00 3.54 0.04 -1.26 -3.88 135.00 133.37 1y7i s PRO 178 Ca 0.12 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.43 1y7i s PRO 178 Cb 0.02 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 32.09 1y7i s PRO 178 CO -0.02 -0.93 0.00 0.45 0.04 0.00 0.00 177.00 176.55 1y7i n SER 179 N -0.54 0.44 -3.56 6.66 2.88 -1.26 -4.77 113.62 113.47 1y7i n SER 179 Ca 0.07 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.53 1y7i n SER 179 Cb 0.44 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.86 1y7i n SER 179 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1y7i s SER 180 N 1.00 -0.33 0.02 -3.46 0.15 -1.26 -4.38 113.70 105.44 1y7i s SER 180 Ca 0.00 0.21 0.23 0.00 0.70 0.00 0.00 55.95 57.09 1y7i s SER 180 Cb 0.00 0.30 0.05 0.00 -1.71 0.00 0.00 66.02 64.65 1y7i s SER 180 CO 0.00 -0.40 1.05 0.18 1.20 0.00 0.00 173.24 175.27 1y7i n LEU 181 N 0.32 0.68 -2.15 3.45 4.77 -1.26 -5.06 117.00 117.75 1y7i n LEU 181 Ca -0.08 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.74 1y7i n LEU 181 Cb 0.59 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1y7i n LEU 181 CO 0.13 0.12 -0.32 0.49 -1.33 0.00 0.00 177.39 176.48 1y7i n PHE 182 N -1.73 -3.25 0.00 -1.77 3.72 -1.26 -4.88 117.46 108.29 1y7i n PHE 182 Ca 0.03 1.94 0.00 0.00 -0.05 0.00 0.00 57.45 59.37 1y7i n PHE 182 Cb 0.39 -2.81 0.00 0.00 -0.94 0.00 0.00 39.48 36.12 1y7i n PHE 182 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1y7i n GLU 184 N 1.89 0.00 -0.04 -1.08 4.71 -1.26 -1.74 120.64 123.11 1y7i n GLU 184 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.02 1y7i n GLU 184 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 31.44 30.35 1y7i n GLU 184 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 1y7i h ASP 185 N 0.00 0.29 0.57 1.62 3.58 -1.94 -3.32 116.42 117.23 1y7i h ASP 185 Ca 0.00 -0.48 -0.18 0.00 0.42 0.00 0.00 57.03 56.78 1y7i h ASP 185 Cb 0.00 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1y7i h ASP 185 CO 0.00 0.71 -0.82 -0.07 -2.88 0.00 0.00 179.24 176.19 1y7i h LEU 186 N -0.13 0.22 -2.24 2.28 3.38 -1.68 -3.26 115.31 113.88 1y7i h LEU 186 Ca 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1y7i h LEU 186 Cb 0.63 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1y7i h LEU 186 CO 0.03 0.94 -0.06 0.77 0.09 0.00 0.00 178.44 180.22 1y7i h SER 187 N 0.10 0.00 -1.22 -0.43 4.64 -1.80 -2.85 113.55 111.99 1y7i h SER 187 Ca -0.03 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.73 1y7i h SER 187 Cb 1.42 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 63.09 1y7i h SER 187 CO 0.12 0.06 -0.79 2.29 -0.87 0.00 0.00 176.83 177.64 1y7i n LYS 188 N -3.63 3.37 -3.59 4.77 2.85 -1.23 -4.86 118.16 115.84 1y7i n LYS 188 Ca -0.02 -4.32 -0.09 0.00 -1.05 0.00 0.00 58.31 52.83 1y7i n LYS 188 Cb 0.16 -2.21 -0.02 0.00 -0.65 0.00 0.00 35.03 32.32 1y7i n LYS 188 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1y7i s ALA 189 N -3.55 -1.60 -0.44 0.58 0.00 -1.17 -5.05 121.76 110.53 1y7i s ALA 189 Ca 0.48 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.88 1y7i s ALA 189 Cb 0.40 0.71 0.16 0.00 0.00 0.00 0.00 23.12 24.39 1y7i s ALA 189 CO -0.10 -0.85 0.31 0.21 0.00 0.00 0.00 175.76 175.33 1y7i s LYS 190 N -3.53 1.12 0.00 0.00 2.20 -1.26 -1.78 119.74 116.50 1y7i s LYS 190 Ca 0.06 -2.08 0.29 0.00 -0.36 0.00 0.00 55.97 53.88 1y7i s LYS 190 Cb -0.02 -1.86 1.41 0.00 -1.51 0.00 0.00 37.83 35.85 1y7i s LYS 190 CO -0.05 -1.29 2.00 0.66 -0.36 0.00 0.00 175.35 176.31 1y7i n TYR 191 N 3.14 0.00 -4.06 4.03 4.01 -1.26 -4.75 117.16 118.27 1y7i n TYR 191 Ca 0.20 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.60 1y7i n TYR 191 Cb 0.41 -0.35 -0.15 0.00 -0.31 0.00 0.00 39.34 38.93 1y7i n TYR 191 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1y7i s PHE 192 N -2.70 2.85 0.09 -0.72 0.08 -1.26 -4.84 117.98 111.47 1y7i s PHE 192 Ca 0.24 -1.49 0.06 0.00 0.12 0.00 0.00 56.93 55.85 1y7i s PHE 192 Cb 0.20 -1.97 -0.04 0.00 -0.57 0.00 0.00 43.02 40.64 1y7i s PHE 192 CO 0.47 -0.75 -0.05 0.95 -0.10 0.00 0.00 175.22 175.75 1y7i s THR 193 N 1.33 3.71 0.39 0.64 -4.23 -1.26 -4.25 115.64 111.98 1y7i s THR 193 Ca 0.05 -1.08 0.06 0.00 -1.18 0.00 0.00 61.69 59.53 1y7i s THR 193 Cb -0.14 -2.74 0.27 0.00 1.34 0.00 0.00 72.50 71.23 1y7i s THR 193 CO -0.10 0.14 2.05 0.44 -0.54 0.00 0.00 174.62 176.61 1y7i h ASP 194 N 3.62 0.54 -0.17 3.99 5.19 -1.95 -0.68 116.42 126.96 1y7i h ASP 194 Ca -0.48 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 55.81 1y7i h ASP 194 Cb 1.17 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.53 1y7i h ASP 194 CO 0.56 0.39 -0.23 1.05 -3.12 0.00 0.00 179.24 177.89 1y7i h GLU 195 N 0.64 0.62 0.00 3.56 9.09 -1.95 -3.11 114.58 123.42 1y7i h GLU 195 Ca 0.18 -0.24 0.00 0.00 0.05 0.00 0.00 59.36 59.35 1y7i h GLU 195 Cb -0.06 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.00 1y7i h GLU 195 CO -0.04 0.80 0.00 0.54 0.05 0.00 0.00 179.01 180.36 1y7i n ARG 196 N -4.12 0.00 -0.10 1.06 1.74 -1.06 -4.30 116.66 109.87 1y7i n ARG 196 Ca -0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 1y7i n ARG 196 Cb 0.41 -0.31 0.00 0.00 -1.02 0.00 0.00 32.46 31.54 1y7i n ARG 196 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1y7i h PHE 197 N 0.00 -0.56 0.00 -1.55 3.57 -1.38 -1.16 116.94 115.86 1y7i h PHE 197 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1y7i h PHE 197 Cb 0.00 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1y7i h PHE 197 CO 0.00 -0.30 0.00 0.41 -2.23 0.00 0.00 178.31 176.19 1y7i n GLY 198 N -1.38 -0.46 0.06 2.40 0.00 -0.76 -2.48 105.19 102.57 1y7i n GLY 198 Ca 0.01 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1y7i n GLY 198 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y7i n SER 199 N -0.99 0.64 -4.72 1.61 3.41 -0.44 -4.87 113.62 108.26 1y7i n SER 199 Ca 0.11 0.03 -0.41 0.00 -0.26 0.00 0.00 58.87 58.34 1y7i n SER 199 Cb 0.05 0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 64.64 1y7i n SER 199 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1y7i s VAL 200 N -3.27 4.91 0.18 -3.33 1.01 -1.04 -5.00 120.40 113.87 1y7i s VAL 200 Ca 0.02 1.72 -0.32 0.00 0.00 0.00 0.00 61.98 63.40 1y7i s VAL 200 Cb 0.13 -4.16 -0.11 0.00 0.00 0.00 0.00 36.38 32.23 1y7i s VAL 200 CO 0.79 0.24 1.76 -0.75 0.00 0.00 0.00 175.10 177.15 1y7i s LYS 201 N 0.69 4.13 -0.16 2.72 2.20 -1.26 -4.83 119.74 123.23 1y7i s LYS 201 Ca 0.43 2.61 -0.03 0.00 -0.36 0.00 0.00 55.97 58.62 1y7i s LYS 201 Cb -0.20 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.86 1y7i s LYS 201 CO 0.23 -0.78 -0.06 1.03 -0.36 0.00 0.00 175.35 175.41 1y7i s ARG 202 N 1.68 3.58 -0.11 4.03 0.52 -1.26 -0.34 118.95 127.05 1y7i s ARG 202 Ca 0.77 -0.56 0.03 0.00 -0.52 0.00 0.00 55.73 55.44 1y7i s ARG 202 Cb -0.49 -2.87 0.01 0.00 0.52 0.00 0.00 34.95 32.13 1y7i s ARG 202 CO 0.33 0.19 -0.19 0.08 0.02 0.00 0.00 175.30 175.74 1y7i s VAL 203 N 0.47 1.72 -0.15 3.52 1.01 0.05 -0.53 120.40 126.49 1y7i s VAL 203 Ca -0.05 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 1y7i s VAL 203 Cb -0.15 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 1y7i s VAL 203 CO 0.03 0.48 -0.05 -0.47 0.00 0.00 0.00 175.10 175.10 1y7i s TYR 204 N 0.72 3.01 -0.38 5.22 6.14 -0.36 0.22 117.35 131.92 1y7i s TYR 204 Ca -0.11 -0.30 -0.07 0.00 0.64 0.00 0.00 57.07 57.23 1y7i s TYR 204 Cb -0.16 -1.93 0.07 0.00 0.42 0.00 0.00 41.96 40.35 1y7i s TYR 204 CO 0.02 -0.02 0.17 0.42 0.64 0.00 0.00 175.55 176.78 1y7i s ILE 205 N 0.28 3.82 -0.00 3.14 1.01 0.32 0.36 121.20 130.13 1y7i s ILE 205 Ca -0.04 -1.39 -0.30 0.00 0.00 0.00 0.00 60.65 58.93 1y7i s ILE 205 Cb -0.14 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1y7i s ILE 205 CO 0.03 -0.37 1.03 -0.69 0.00 0.00 0.00 174.94 174.94 1y7i s VAL 206 N 1.36 4.69 -0.49 2.92 1.01 0.74 -1.74 120.40 128.90 1y7i s VAL 206 Ca 0.01 1.94 -0.11 0.00 0.00 0.00 0.00 61.98 63.82 1y7i s VAL 206 Cb -0.21 -4.24 0.12 0.00 0.00 0.00 0.00 36.38 32.05 1y7i s VAL 206 CO 0.01 0.13 0.38 0.00 0.00 0.00 0.00 175.10 175.62 1y7i h THR 208 N 6.08 0.62 -0.62 0.00 1.35 -1.65 -2.56 112.91 116.13 1y7i h THR 208 Ca -0.23 -0.19 -0.24 0.00 -0.55 0.00 0.00 66.41 65.20 1y7i h THR 208 Cb 1.08 0.01 -0.14 0.00 -1.73 0.00 0.00 68.15 67.37 1y7i h THR 208 CO 0.90 0.10 0.31 -0.62 -0.25 0.00 0.00 175.52 175.96 1y7i n GLU 209 N -4.92 2.66 -2.34 4.72 -0.58 -0.43 -4.41 120.64 115.33 1y7i n GLU 209 Ca 0.20 -2.26 -0.42 0.00 -0.42 0.00 0.00 57.16 54.26 1y7i n GLU 209 Cb 0.56 -1.95 -0.03 0.00 -0.57 0.00 0.00 31.44 29.45 1y7i n GLU 209 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1y7i s ASP 210 N -0.65 6.99 -0.01 1.62 -1.08 -0.96 -4.37 116.67 118.20 1y7i s ASP 210 Ca 0.41 2.07 0.15 0.00 -0.52 0.00 0.00 52.55 54.66 1y7i s ASP 210 Cb 0.34 -2.57 -0.20 0.00 -1.46 0.00 0.00 42.92 39.02 1y7i s ASP 210 CO 0.09 -0.56 0.43 0.29 0.52 0.00 0.00 175.17 175.94 1y7i n LYS 211 N 4.31 1.13 -0.02 4.34 5.02 -1.22 -3.55 118.16 128.17 1y7i n LYS 211 Ca 0.10 -0.08 -0.19 0.00 -2.02 0.00 0.00 58.31 56.12 1y7i n LYS 211 Cb 0.45 -1.28 -0.13 0.00 -0.02 0.00 0.00 35.03 34.04 1y7i n LYS 211 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1y7i h GLY 212 N 2.94 0.17 -6.98 0.72 0.00 -1.16 -3.40 103.07 95.35 1y7i h GLY 212 Ca 0.00 -0.43 -0.62 0.00 0.00 0.00 0.00 47.33 46.29 1y7i h GLY 212 CO 0.00 0.37 -0.69 -0.42 0.00 0.00 0.00 176.54 175.80 1y7i s ILE 213 N -2.37 2.05 0.42 2.60 1.01 -1.26 -5.11 121.20 118.55 1y7i s ILE 213 Ca -0.19 -3.44 -0.22 0.00 0.00 0.00 0.00 60.65 56.80 1y7i s ILE 213 Cb 0.01 -2.38 -0.13 0.00 0.01 0.00 0.00 42.46 39.97 1y7i s ILE 213 CO 0.73 -0.99 0.49 -0.81 0.00 0.00 0.00 174.94 174.36 1y7i n PRO 214 N 2.67 0.49 -0.31 2.79 -0.04 -1.23 -4.66 135.00 134.72 1y7i n PRO 214 Ca 0.16 0.18 0.15 0.00 -0.04 0.00 0.00 63.50 63.95 1y7i n PRO 214 Cb 0.37 -1.44 0.39 0.00 -0.04 0.00 0.00 33.50 32.78 1y7i n PRO 214 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1y7i h GLU 215 N 0.72 0.63 -0.85 0.54 4.81 -1.77 -0.19 114.58 118.47 1y7i h GLU 215 Ca -0.40 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 58.84 1y7i h GLU 215 Cb 1.41 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.59 1y7i h GLU 215 CO 0.51 0.41 0.55 1.05 -0.73 0.00 0.00 179.01 180.81 1y7i h GLU 216 N 0.65 0.99 0.04 1.92 9.09 -1.92 0.49 114.58 125.83 1y7i h GLU 216 Ca 0.52 -0.06 -0.23 0.00 0.05 0.00 0.00 59.36 59.64 1y7i h GLU 216 Cb 0.95 -0.22 -0.02 0.00 -1.65 0.00 0.00 28.75 27.81 1y7i h GLU 216 CO -0.28 0.65 -1.05 0.35 0.05 0.00 0.00 179.01 178.74 1y7i h PHE 217 N 1.02 0.20 -0.47 2.06 3.57 -1.39 -1.99 116.94 119.95 1y7i h PHE 217 Ca 0.34 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1y7i h PHE 217 Cb 0.09 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1y7i h PHE 217 CO -0.00 1.08 0.21 1.96 -2.23 0.00 0.00 178.31 179.33 1y7i h GLN 218 N 0.04 0.69 -0.25 1.11 4.20 -0.67 -2.35 115.11 117.88 1y7i h GLN 218 Ca -0.06 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.47 1y7i h GLN 218 Cb 1.78 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.42 1y7i h GLN 218 CO 0.15 0.60 -0.16 0.00 -0.67 0.00 0.00 178.83 178.75 1y7i h ARG 219 N 0.61 0.43 -0.45 1.46 2.47 -0.89 -2.67 114.38 115.34 1y7i h ARG 219 Ca 0.16 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1y7i h ARG 219 Cb 0.15 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 1y7i h ARG 219 CO -0.02 0.58 0.29 2.35 0.56 0.00 0.00 179.97 183.73 1y7i h TRP 220 N 0.39 0.57 -0.18 3.04 7.01 -0.96 -0.07 115.95 125.76 1y7i h TRP 220 Ca 0.07 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.10 1y7i h TRP 220 Cb 0.51 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.36 1y7i h TRP 220 CO 0.01 0.37 0.07 1.96 -2.79 0.00 0.00 178.44 178.07 1y7i h GLN 221 N 0.61 0.15 -0.71 2.65 4.20 -1.10 0.65 115.11 121.56 1y7i h GLN 221 Ca 0.16 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.92 1y7i h GLN 221 Cb -0.05 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.64 1y7i h GLN 221 CO -0.03 0.10 0.41 0.82 -0.67 0.00 0.00 178.83 179.46 1y7i h ILE 222 N 0.16 1.00 0.00 2.54 2.04 -1.22 0.58 117.51 122.60 1y7i h ILE 222 Ca 0.07 -0.26 -0.10 0.00 1.00 0.00 0.00 64.86 65.57 1y7i h ILE 222 Cb 0.04 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 1y7i h ILE 222 CO -0.07 0.14 -0.49 0.44 0.00 0.00 0.00 178.15 178.17 1y7i h ASP 223 N 0.76 0.00 0.00 1.72 3.32 -0.41 -2.13 116.42 119.69 1y7i h ASP 223 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1y7i h ASP 223 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1y7i h ASP 223 CO -0.17 0.49 0.00 -3.20 -1.72 0.00 0.00 179.24 174.64 1y7i n ASN 224 N -3.48 0.00 0.25 6.45 5.15 0.22 -4.46 115.26 119.39 1y7i n ASN 224 Ca 0.00 0.26 0.14 0.00 -0.60 0.00 0.00 54.58 54.38 1y7i n ASN 224 Cb 0.61 -0.31 0.51 0.00 -0.53 0.00 0.00 39.78 40.06 1y7i n ASN 224 CO 0.00 0.00 0.00 0.16 1.40 0.00 0.00 177.26 178.82 1y7i h ILE 225 N 0.00 0.15 -0.03 -1.44 3.07 -1.13 -3.49 117.51 114.64 1y7i h ILE 225 Ca 0.00 -0.80 0.00 0.00 1.55 0.00 0.00 64.86 65.61 1y7i h ILE 225 Cb 0.00 1.70 -0.00 0.00 -0.27 0.00 0.00 36.82 38.25 1y7i h ILE 225 CO 0.00 0.06 -0.01 0.61 -1.05 0.00 0.00 178.15 177.76 1y7i n GLY 226 N 0.32 -2.63 3.42 0.16 0.00 -0.80 -5.04 105.19 100.62 1y7i n GLY 226 Ca 0.01 -1.44 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 1y7i n GLY 226 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y7i s VAL 227 N -3.04 0.02 0.00 1.61 0.11 -1.25 -4.86 120.40 112.99 1y7i s VAL 227 Ca 0.00 -1.53 0.00 0.00 -2.93 0.00 0.00 61.98 57.52 1y7i s VAL 227 Cb 0.00 -2.15 -0.26 0.00 -1.53 0.00 0.00 36.38 32.44 1y7i s VAL 227 CO 0.00 -0.10 0.86 0.74 -3.33 0.00 0.00 175.10 173.27 1y7i h THR 228 N 2.43 1.15 -2.30 5.04 2.02 -1.21 -3.47 112.91 116.58 1y7i h THR 228 Ca -0.30 -2.83 -0.07 0.00 0.77 0.00 0.00 66.41 63.98 1y7i h THR 228 Cb 1.24 2.71 -0.22 0.00 -1.74 0.00 0.00 68.15 70.14 1y7i h THR 228 CO 0.44 0.79 -0.04 -0.70 0.37 0.00 0.00 175.52 176.38 1y7i s GLU 229 N -2.62 0.67 -0.17 6.66 2.12 -1.08 -5.04 118.70 119.24 1y7i s GLU 229 Ca -0.08 0.86 -0.01 0.00 0.36 0.00 0.00 54.97 56.11 1y7i s GLU 229 Cb 0.07 0.29 -0.00 0.00 0.26 0.00 0.00 34.13 34.75 1y7i s GLU 229 CO 0.84 -0.10 -0.14 0.00 -0.54 0.00 0.00 175.26 175.33 1y7i s ALA 230 N 0.54 2.54 0.25 6.30 0.00 -1.26 -1.22 121.76 128.91 1y7i s ALA 230 Ca -0.02 -1.09 0.08 0.00 0.00 0.00 0.00 51.96 50.94 1y7i s ALA 230 Cb -0.05 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1y7i s ALA 230 CO -0.03 -0.14 0.06 0.42 0.00 0.00 0.00 175.76 176.08 1y7i s ILE 231 N 0.99 3.83 -0.00 0.00 -1.09 0.16 -4.96 121.20 120.12 1y7i s ILE 231 Ca -0.02 -1.68 0.01 0.00 -2.23 0.00 0.00 60.65 56.73 1y7i s ILE 231 Cb -0.15 -3.04 -0.00 0.00 -1.58 0.00 0.00 42.46 37.69 1y7i s ILE 231 CO -0.02 -0.34 -0.03 -0.70 -1.23 0.00 0.00 174.94 172.62 1y7i s GLU 232 N -3.65 0.22 -0.42 2.79 2.12 -1.26 -0.18 118.70 118.32 1y7i s GLU 232 Ca 0.31 -0.09 0.02 0.00 0.36 0.00 0.00 54.97 55.57 1y7i s GLU 232 Cb -0.07 -0.22 0.11 0.00 0.26 0.00 0.00 34.13 34.21 1y7i s GLU 232 CO 0.21 0.05 0.17 0.42 -0.54 0.00 0.00 175.26 175.57 1y7i s ILE 233 N -0.01 2.73 0.27 -3.70 1.01 0.52 -4.91 121.20 117.11 1y7i s ILE 233 Ca 0.01 -2.51 -0.29 0.00 0.00 0.00 0.00 60.65 57.85 1y7i s ILE 233 Cb -0.02 -2.93 -0.10 0.00 0.01 0.00 0.00 42.46 39.43 1y7i s ILE 233 CO -0.00 -0.69 1.30 -0.54 0.00 0.00 0.00 174.94 175.01 1y7i s LYS 234 N 0.65 4.39 0.00 2.79 1.02 -1.26 -3.25 119.74 124.08 1y7i s LYS 234 Ca 0.12 2.12 0.00 0.00 0.02 0.00 0.00 55.97 58.23 1y7i s LYS 234 Cb -0.21 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 1y7i s LYS 234 CO -0.05 -0.19 0.00 0.41 -0.92 0.00 0.00 175.35 174.60 1y7i n GLY 235 N 1.55 0.47 3.58 -3.33 0.00 -1.26 -4.98 105.19 101.21 1y7i n GLY 235 Ca 0.03 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1y7i n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y7i s ALA 236 N -2.00 2.99 0.67 4.61 0.00 -1.20 -4.90 121.76 121.94 1y7i s ALA 236 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1y7i s ALA 236 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.85 1y7i s ALA 236 CO 0.00 0.54 0.00 -0.40 0.00 0.00 0.00 175.76 175.90 1y7i n ASP 237 N 2.35 0.00 -2.33 0.00 5.68 -1.26 -1.32 116.55 119.67 1y7i n ASP 237 Ca -0.18 -0.44 0.00 0.00 -0.50 0.00 0.00 54.79 53.67 1y7i n ASP 237 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1y7i n ASP 237 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1y7i n HIS 238 N -0.73 0.00 -2.56 2.11 -0.00 -1.23 -4.62 115.22 108.19 1y7i n HIS 238 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.71 1y7i n HIS 238 Cb 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 29.99 29.72 1y7i n HIS 238 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1y7i n ALA 240 N 2.21 -1.75 0.00 1.57 0.00 -1.26 -4.97 120.51 116.31 1y7i n ALA 240 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1y7i n ALA 240 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1y7i n ALA 240 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y7i n LEU 242 N -0.29 0.00 -0.03 0.00 4.77 -1.26 -1.23 117.00 118.96 1y7i n LEU 242 Ca -0.11 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.92 1y7i n LEU 242 Cb 0.58 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.51 1y7i n LEU 242 CO -0.05 0.00 -0.81 0.00 -1.33 0.00 0.00 177.39 175.20 1y7i n GLU 244 N -2.46 1.21 -0.18 0.00 -0.58 -0.36 -4.96 120.64 113.30 1y7i n GLU 244 Ca -0.12 -3.36 0.04 0.00 -0.42 0.00 0.00 57.16 53.30 1y7i n GLU 244 Cb 0.75 -1.42 0.31 0.00 -0.57 0.00 0.00 31.44 30.52 1y7i n GLU 244 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1y7i h PRO 245 N 2.98 0.83 -0.28 3.49 0.13 -1.80 -0.93 132.00 136.42 1y7i h PRO 245 Ca -0.03 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 64.96 1y7i h PRO 245 Cb 1.10 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1y7i h PRO 245 CO 0.52 0.55 -0.17 1.96 -0.23 0.00 0.00 178.00 180.62 1y7i h GLN 246 N 0.85 0.62 -0.30 0.86 4.20 -1.92 0.10 115.11 119.52 1y7i h GLN 246 Ca 0.29 -0.29 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1y7i h GLN 246 Cb 0.08 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1y7i h GLN 246 CO -0.08 0.87 -0.15 0.87 -0.67 0.00 0.00 178.83 179.67 1y7i h LYS 247 N 0.36 0.52 -0.31 1.46 1.57 -1.89 -0.92 116.57 117.37 1y7i h LYS 247 Ca 0.06 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1y7i h LYS 247 Cb 0.71 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1y7i h LYS 247 CO 0.05 0.66 -0.01 1.25 -0.57 0.00 0.00 179.45 180.83 1y7i h LEU 248 N 0.48 0.54 -0.01 2.94 6.46 -0.94 -2.09 115.31 122.68 1y7i h LEU 248 Ca 0.08 -0.31 0.02 0.00 -0.12 0.00 0.00 57.88 57.55 1y7i h LEU 248 Cb 0.54 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.29 1y7i h LEU 248 CO 0.03 0.72 -0.13 0.00 -0.62 0.00 0.00 178.44 178.45 1y7i h ALA 250 N 0.76 1.37 -0.56 0.00 0.00 -1.06 0.15 119.26 119.91 1y7i h ALA 250 Ca 0.05 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1y7i h ALA 250 Cb 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1y7i h ALA 250 CO -0.14 0.26 -0.01 0.77 0.00 0.00 0.00 179.25 180.14 1y7i h SER 251 N 1.00 0.98 -0.00 0.00 0.02 -0.91 -1.55 113.55 113.08 1y7i h SER 251 Ca 0.44 -0.31 -0.11 0.00 -0.84 0.00 0.00 61.79 60.97 1y7i h SER 251 Cb 0.34 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1y7i h SER 251 CO -0.23 1.05 -0.35 -0.07 -1.14 0.00 0.00 176.83 176.10 1y7i h LEU 252 N 0.88 0.50 -0.44 5.07 3.38 -0.42 -1.30 115.31 122.99 1y7i h LEU 252 Ca 0.16 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1y7i h LEU 252 Cb 0.55 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1y7i h LEU 252 CO 0.03 0.81 -0.25 -0.07 0.09 0.00 0.00 178.44 179.05 1y7i h LEU 253 N 0.41 0.98 -1.07 1.67 3.38 -0.55 -1.86 115.31 118.27 1y7i h LEU 253 Ca 0.05 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 1y7i h LEU 253 Cb 0.80 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1y7i h LEU 253 CO 0.06 1.18 -0.18 -0.08 0.09 0.00 0.00 178.44 179.51 1y7i h GLU 254 N 0.78 0.45 -0.18 1.13 4.81 -1.06 -0.68 114.58 119.82 1y7i h GLU 254 Ca 0.09 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1y7i h GLU 254 Cb 0.83 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1y7i h GLU 254 CO 0.07 0.62 0.01 0.82 -0.73 0.00 0.00 179.01 179.80 1y7i h ILE 255 N 0.41 1.24 -0.60 2.32 2.04 -1.06 0.94 117.51 122.81 1y7i h ILE 255 Ca 0.07 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.11 1y7i h ILE 255 Cb 0.55 1.41 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1y7i h ILE 255 CO 0.04 0.24 0.27 0.00 0.00 0.00 0.00 178.15 178.70 1y7i h ALA 256 N 0.80 1.36 -0.23 1.87 0.00 -1.04 -2.85 119.26 119.17 1y7i h ALA 256 Ca 0.05 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1y7i h ALA 256 Cb 0.35 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1y7i h ALA 256 CO 0.01 0.50 -0.24 1.25 0.00 0.00 0.00 179.25 180.76 1y7i h HIS 257 N 0.84 0.69 -0.05 0.00 -0.00 -0.86 -2.97 115.15 112.81 1y7i h HIS 257 Ca 0.21 -0.21 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1y7i h HIS 257 Cb 0.11 -0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.38 1y7i h HIS 257 CO 0.01 0.91 0.04 0.87 -0.00 0.00 0.00 177.93 179.76 1y7i h LYS 258 N 0.27 0.02 -0.30 5.26 1.57 -0.62 -0.81 116.57 121.96 1y7i h LYS 258 Ca 0.04 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 1y7i h LYS 258 Cb 0.80 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1y7i h LYS 258 CO 0.06 0.01 -0.33 -0.92 -0.57 0.00 0.00 179.45 177.70 1y7i h TYR 259 N 0.02 0.92 0.00 -1.35 3.20 -1.45 -3.01 116.97 115.30 1y7i h TYR 259 Ca 0.02 -0.28 -0.02 0.00 3.14 0.00 0.00 58.73 61.59 1y7i h TYR 259 Cb 0.07 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.15 1y7i h TYR 259 CO -0.00 1.05 -0.11 -0.91 -1.64 0.00 0.00 178.16 176.55 1y7i h ASN 260 N 0.52 0.00 0.14 -2.11 -0.26 -1.01 -1.46 115.58 111.40 1y7i h ASN 260 Ca 0.04 0.00 -0.21 0.00 -0.56 0.00 0.00 56.30 55.57 1y7i h ASN 260 Cb 0.91 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.18 1y7i h ASN 260 CO 0.08 0.11 -0.83 -0.07 -1.06 0.00 0.00 177.43 175.66 1y7i h LEU 261 N 0.00 0.67 0.00 1.61 3.38 -1.29 -0.59 115.31 119.09 1y7i h LEU 261 Ca -0.00 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.50 1y7i h LEU 261 Cb 0.22 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1y7i h LEU 261 CO 0.01 1.25 -0.28 -1.84 0.09 0.00 0.00 178.44 177.67 1y7i n GLU 262 N -3.84 0.27 0.00 1.13 0.28 -1.03 -4.72 120.64 112.72 1y7i n GLU 262 Ca -0.06 0.15 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1y7i n GLU 262 Cb 0.77 -1.74 0.00 0.00 1.43 0.00 0.00 31.44 31.90 1y7i n GLU 262 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1y7i n HIS 263 N -2.17 0.00 0.06 -1.84 8.25 -0.58 -5.12 115.22 113.83 1y7i n HIS 263 Ca 0.05 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.51 1y7i n HIS 263 Cb 0.43 0.05 0.03 0.00 1.12 0.00 0.00 29.99 31.63 1y7i n HIS 263 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70