#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qxt h GLU 5 N 0.00 0.00 0.00 1.61 4.81 -1.91 -3.16 114.58 115.94 1qxt h GLU 5 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1qxt h GLU 5 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1qxt h GLU 5 CO 0.00 0.32 -0.14 1.05 -0.73 0.00 0.00 179.01 179.51 1qxt h GLU 6 N 0.00 0.00 0.00 1.92 4.11 -1.99 -2.82 114.58 115.80 1qxt h GLU 6 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1qxt h GLU 6 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1qxt h GLU 6 CO 0.04 0.14 0.00 1.28 0.07 0.00 0.00 179.01 180.54 1qxt n LEU 7 N -3.85 0.00 -0.37 3.06 4.77 -1.19 -3.71 117.00 115.70 1qxt n LEU 7 Ca -0.02 0.22 0.05 0.00 -0.03 0.00 0.00 56.01 56.23 1qxt n LEU 7 Cb 0.23 -0.22 0.12 0.00 -2.33 0.00 0.00 43.42 41.22 1qxt n LEU 7 CO 0.32 -0.01 0.59 0.49 -1.33 0.00 0.00 177.39 177.45 1qxt n PHE 8 N -1.22 0.31 0.29 -1.77 3.01 -1.06 -4.69 117.46 112.32 1qxt n PHE 8 Ca 0.16 -0.63 0.18 0.00 1.01 0.00 0.00 57.45 58.16 1qxt n PHE 8 Cb 0.20 -0.10 0.75 0.00 -0.01 0.00 0.00 39.48 40.32 1qxt n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1qxt h THR 9 N 0.99 0.00 -2.52 4.37 1.35 -1.71 -3.39 112.91 112.00 1qxt h THR 9 Ca 0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1qxt h THR 9 Cb 0.81 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1qxt h THR 9 CO 0.04 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 1qxt n GLY 10 N -0.10 7.23 3.63 5.82 0.00 -1.26 -4.87 105.19 115.65 1qxt n GLY 10 Ca 0.00 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 1qxt n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qxt s VAL 11 N 0.56 4.91 -0.15 1.61 1.01 -1.26 -4.50 120.40 122.58 1qxt s VAL 11 Ca 0.00 1.31 -0.02 0.00 0.00 0.00 0.00 61.98 63.26 1qxt s VAL 11 Cb 0.00 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 1qxt s VAL 11 CO 0.00 -0.04 -0.07 -0.69 0.00 0.00 0.00 175.10 174.30 1qxt s VAL 12 N 2.67 3.53 0.43 2.92 1.01 -0.54 -4.95 120.40 125.47 1qxt s VAL 12 Ca 0.30 -0.48 -0.24 0.00 0.00 0.00 0.00 61.98 61.55 1qxt s VAL 12 Cb -0.15 -2.53 -0.08 0.00 0.00 0.00 0.00 36.38 33.62 1qxt s VAL 12 CO 0.08 0.50 1.18 -2.16 0.00 0.00 0.00 175.10 174.70 1qxt s PRO 13 N 0.48 3.91 0.02 2.72 0.04 -1.26 -1.04 135.00 139.86 1qxt s PRO 13 Ca -0.06 1.83 0.09 0.00 0.04 0.00 0.00 61.00 62.90 1qxt s PRO 13 Cb -0.15 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.81 1qxt s PRO 13 CO 0.03 -0.44 -0.26 0.42 0.04 0.00 0.00 177.00 176.79 1qxt s ILE 14 N -1.46 2.06 -0.08 0.56 1.01 0.12 -1.61 121.20 121.79 1qxt s ILE 14 Ca 0.60 -1.27 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 1qxt s ILE 14 Cb -0.30 -1.75 0.02 0.00 0.01 0.00 0.00 42.46 40.44 1qxt s ILE 14 CO 0.37 0.43 -0.05 -0.76 0.00 0.00 0.00 174.94 174.94 1qxt s LEU 15 N -1.01 1.03 -0.09 2.97 1.43 -0.51 -2.20 118.68 120.29 1qxt s LEU 15 Ca 0.11 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 1qxt s LEU 15 Cb -0.10 -0.63 0.01 0.00 0.03 0.00 0.00 46.19 45.50 1qxt s LEU 15 CO 0.01 -0.12 -0.19 -0.69 0.23 0.00 0.00 176.35 175.59 1qxt s VAL 16 N 1.59 1.68 -0.10 -1.59 1.01 0.53 -0.73 120.40 122.78 1qxt s VAL 16 Ca 0.01 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1qxt s VAL 16 Cb -0.13 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.79 1qxt s VAL 16 CO -0.05 0.48 -0.06 -1.61 0.00 0.00 0.00 175.10 173.86 1qxt s GLU 17 N 0.57 1.31 -0.06 2.72 0.41 -0.14 0.70 118.70 124.22 1qxt s GLU 17 Ca -0.15 -0.17 0.05 0.00 -0.41 0.00 0.00 54.97 54.29 1qxt s GLU 17 Cb -0.17 -1.43 -0.01 0.00 -1.78 0.00 0.00 34.13 30.75 1qxt s GLU 17 CO 0.05 -0.26 -0.22 -1.17 -0.49 0.00 0.00 175.26 173.17 1qxt s LEU 18 N 1.72 2.00 -0.22 1.80 2.96 0.06 -0.28 118.68 126.72 1qxt s LEU 18 Ca 0.04 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1qxt s LEU 18 Cb -0.13 -1.22 0.04 0.00 0.50 0.00 0.00 46.19 45.39 1qxt s LEU 18 CO -0.07 0.20 -0.15 -1.81 -1.32 0.00 0.00 176.35 173.19 1qxt s ASP 19 N -0.00 3.78 0.33 3.68 -0.00 -0.52 -0.99 116.67 122.95 1qxt s ASP 19 Ca -0.06 -0.99 0.10 0.00 -0.00 0.00 0.00 52.55 51.60 1qxt s ASP 19 Cb -0.14 -1.52 -0.06 0.00 -0.00 0.00 0.00 42.92 41.20 1qxt s ASP 19 CO 0.04 -0.09 -0.10 -0.83 -0.00 0.00 0.00 175.17 174.18 1qxt s GLY 20 N 1.21 2.12 -0.29 0.21 0.00 0.26 -1.02 107.32 109.81 1qxt s GLY 20 Ca -0.01 -2.04 -0.00 0.00 0.00 0.00 0.00 44.72 42.66 1qxt s GLY 20 CO -0.09 -2.01 0.30 -0.35 0.00 0.00 0.00 173.10 170.95 1qxt s ASP 21 N -3.60 1.59 -0.19 1.64 -1.08 -0.46 -1.34 116.67 113.22 1qxt s ASP 21 Ca 0.32 -0.71 0.01 0.00 -0.52 0.00 0.00 52.55 51.65 1qxt s ASP 21 Cb 0.01 0.54 0.02 0.00 -1.46 0.00 0.00 42.92 42.03 1qxt s ASP 21 CO 0.17 -0.38 -0.18 -0.69 0.52 0.00 0.00 175.17 174.60 1qxt s VAL 22 N 2.37 2.16 -1.34 1.11 1.01 -0.63 0.31 120.40 125.40 1qxt s VAL 22 Ca 0.09 -0.98 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 1qxt s VAL 22 Cb -0.14 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.32 1qxt s VAL 22 CO -0.32 0.48 0.45 0.59 0.00 0.00 0.00 175.10 176.30 1qxt n ASN 23 N 4.61 -2.21 0.00 3.32 4.13 -1.09 -1.47 115.26 122.57 1qxt n ASN 23 Ca -0.20 -1.23 0.00 0.00 1.68 0.00 0.00 54.58 54.83 1qxt n ASN 23 Cb 0.49 -1.98 0.00 0.00 -1.54 0.00 0.00 39.78 36.75 1qxt n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qxt n GLY 24 N -2.20 2.57 3.43 7.41 0.00 -1.26 -4.99 105.19 110.16 1qxt n GLY 24 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 1qxt n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qxt s HIS 25 N -3.03 3.23 0.03 1.61 3.76 -0.54 -5.08 115.29 115.28 1qxt s HIS 25 Ca 0.00 -0.67 -0.18 0.00 -0.15 0.00 0.00 55.06 54.06 1qxt s HIS 25 Cb 0.00 -2.48 -0.06 0.00 1.11 0.00 0.00 32.58 31.15 1qxt s HIS 25 CO 0.00 -0.55 0.51 0.15 -0.85 0.00 0.00 174.74 174.00 1qxt s LYS 26 N 1.63 4.13 0.24 1.40 1.02 -1.26 -1.61 119.74 125.28 1qxt s LYS 26 Ca 0.04 0.61 -0.09 0.00 0.02 0.00 0.00 55.97 56.55 1qxt s LYS 26 Cb -0.18 -3.26 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1qxt s LYS 26 CO 0.08 0.60 0.38 -0.59 -0.92 0.00 0.00 175.35 174.90 1qxt s PHE 27 N -0.89 0.61 -0.04 3.18 -0.71 -0.45 -5.00 117.98 114.69 1qxt s PHE 27 Ca 0.27 -0.93 -0.04 0.00 -1.04 0.00 0.00 56.93 55.20 1qxt s PHE 27 Cb -0.18 -0.03 0.01 0.00 -1.21 0.00 0.00 43.02 41.61 1qxt s PHE 27 CO 0.16 -0.90 0.10 -1.12 -1.34 0.00 0.00 175.22 172.12 1qxt s SER 28 N -3.07 -0.09 -0.06 1.98 0.01 -1.26 -0.58 113.70 110.64 1qxt s SER 28 Ca 0.27 0.17 0.04 0.00 1.31 0.00 0.00 55.95 57.74 1qxt s SER 28 Cb 0.01 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.45 1qxt s SER 28 CO 0.10 -0.06 -0.16 -0.69 0.41 0.00 0.00 173.24 172.84 1qxt s VAL 29 N -0.06 1.40 -0.13 3.43 1.01 -0.16 -1.80 120.40 124.08 1qxt s VAL 29 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1qxt s VAL 29 Cb -0.01 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1qxt s VAL 29 CO 0.00 0.41 -0.14 -0.55 0.00 0.00 0.00 175.10 174.82 1qxt s SER 30 N 0.25 3.90 -0.02 3.32 0.15 0.06 -0.76 113.70 120.60 1qxt s SER 30 Ca -0.09 -0.36 0.05 0.00 0.70 0.00 0.00 55.95 56.25 1qxt s SER 30 Cb -0.13 -1.59 -0.01 0.00 -1.71 0.00 0.00 66.02 62.57 1qxt s SER 30 CO 0.03 0.15 -0.18 -0.83 1.20 0.00 0.00 173.24 173.62 1qxt s GLY 31 N 0.42 0.90 0.04 9.45 0.00 0.22 -0.27 107.32 118.07 1qxt s GLY 31 Ca -0.11 -0.76 0.01 0.00 0.00 0.00 0.00 44.72 43.86 1qxt s GLY 31 CO 0.05 -0.58 -0.06 -0.54 0.00 0.00 0.00 173.10 171.98 1qxt s GLU 32 N -0.31 0.49 0.00 2.90 2.02 -0.91 -0.35 118.70 122.54 1qxt s GLU 32 Ca 0.04 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.25 1qxt s GLU 32 Cb -0.08 -0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.01 1qxt s GLU 32 CO 0.00 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.70 1qxt n GLY 33 N 1.32 -0.58 3.06 -1.39 0.00 -0.93 -0.91 105.19 105.75 1qxt n GLY 33 Ca -0.22 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 1qxt n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qxt s GLU 34 N -1.37 0.43 0.02 1.61 -1.05 -0.63 0.12 118.70 117.82 1qxt s GLU 34 Ca 0.00 -0.53 0.06 0.00 -0.15 0.00 0.00 54.97 54.35 1qxt s GLU 34 Cb 0.00 0.17 -0.02 0.00 -0.44 0.00 0.00 34.13 33.84 1qxt s GLU 34 CO 0.00 -0.09 -0.18 0.20 0.95 0.00 0.00 175.26 176.14 1qxt s GLY 35 N -1.50 0.92 -0.42 -3.83 0.00 -0.21 -1.84 107.32 100.45 1qxt s GLY 35 Ca -0.14 -0.87 0.02 0.00 0.00 0.00 0.00 44.72 43.73 1qxt s GLY 35 CO -0.00 -0.78 0.22 -0.35 0.00 0.00 0.00 173.10 172.18 1qxt s ASP 36 N -0.84 3.66 0.56 1.64 3.68 0.53 -1.47 116.67 124.43 1qxt s ASP 36 Ca 0.06 -2.48 0.25 0.00 2.13 0.00 0.00 52.55 52.50 1qxt s ASP 36 Cb -0.08 -0.98 1.55 0.00 -1.45 0.00 0.00 42.92 41.96 1qxt s ASP 36 CO 0.01 -0.29 2.14 0.00 0.13 0.00 0.00 175.17 177.16 1qxt h ALA 37 N 6.91 1.89 -0.23 3.66 0.00 -1.75 0.06 119.26 129.81 1qxt h ALA 37 Ca -0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1qxt h ALA 37 Cb 0.94 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1qxt h ALA 37 CO 0.47 -0.19 0.05 1.15 0.00 0.00 0.00 179.25 180.73 1qxt h THR 38 N 0.00 1.11 -0.07 0.00 2.02 -1.87 -2.58 112.91 111.52 1qxt h THR 38 Ca 0.06 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1qxt h THR 38 Cb 0.30 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1qxt h THR 38 CO -0.00 0.14 0.00 -1.22 0.37 0.00 0.00 175.52 174.81 1qxt n TYR 39 N -4.41 0.09 -3.17 3.16 4.01 -0.86 -4.94 117.16 111.04 1qxt n TYR 39 Ca 0.00 -0.20 -0.23 0.00 -0.16 0.00 0.00 57.90 57.31 1qxt n TYR 39 Cb 0.15 -0.02 0.02 0.00 -0.31 0.00 0.00 39.34 39.19 1qxt n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qxt n GLY 40 N 0.18 -0.51 3.74 2.72 0.00 -0.08 -4.79 105.19 106.44 1qxt n GLY 40 Ca 0.04 0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 1qxt n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qxt s LYS 41 N -5.85 3.82 -0.09 1.61 2.20 -0.65 -1.01 119.74 119.77 1qxt s LYS 41 Ca 0.35 -0.25 0.01 0.00 -0.36 0.00 0.00 55.97 55.72 1qxt s LYS 41 Cb -0.17 -3.24 0.02 0.00 -1.51 0.00 0.00 37.83 32.93 1qxt s LYS 41 CO 0.44 0.46 -0.09 -0.51 -0.36 0.00 0.00 175.35 175.28 1qxt s LEU 42 N -0.12 1.36 -0.19 5.43 1.43 -0.06 -0.34 118.68 126.18 1qxt s LEU 42 Ca 0.09 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 52.90 1qxt s LEU 42 Cb -0.12 -0.82 0.04 0.00 0.03 0.00 0.00 46.19 45.32 1qxt s LEU 42 CO 0.01 -0.06 -0.12 0.42 0.23 0.00 0.00 176.35 176.83 1qxt s THR 43 N 1.29 1.69 0.03 5.49 -4.23 -0.77 -0.75 115.64 118.39 1qxt s THR 43 Ca -0.03 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 1qxt s THR 43 Cb -0.14 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.97 1qxt s THR 43 CO -0.03 0.26 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.49 1qxt s LEU 44 N 1.39 2.21 -0.19 4.79 1.43 0.14 -1.61 118.68 126.85 1qxt s LEU 44 Ca 0.00 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 1qxt s LEU 44 Cb -0.15 -0.07 0.04 0.00 0.03 0.00 0.00 46.19 46.03 1qxt s LEU 44 CO -0.09 -0.20 -0.11 -0.75 0.23 0.00 0.00 176.35 175.43 1qxt s LYS 45 N -1.31 2.06 -0.17 1.70 2.20 -0.09 -0.22 119.74 123.92 1qxt s LYS 45 Ca -0.10 -0.78 -0.07 0.00 -0.36 0.00 0.00 55.97 54.65 1qxt s LYS 45 Cb -0.09 -2.34 -0.04 0.00 -1.51 0.00 0.00 37.83 33.85 1qxt s LYS 45 CO -0.00 -0.39 0.07 -0.06 -0.36 0.00 0.00 175.35 174.61 1qxt s PHE 46 N 1.42 3.30 -0.06 4.03 0.40 0.11 -2.15 117.98 125.02 1qxt s PHE 46 Ca 0.00 0.16 0.03 0.00 -0.60 0.00 0.00 56.93 56.52 1qxt s PHE 46 Cb -0.16 -2.06 0.01 0.00 0.51 0.00 0.00 43.02 41.32 1qxt s PHE 46 CO -0.09 0.25 -0.14 0.42 0.70 0.00 0.00 175.22 176.36 1qxt s ILE 47 N 0.16 1.27 -0.39 0.64 1.01 0.63 -0.59 121.20 123.93 1qxt s ILE 47 Ca 0.05 -0.58 -0.27 0.00 0.00 0.00 0.00 60.65 59.86 1qxt s ILE 47 Cb -0.12 -1.14 0.02 0.00 0.01 0.00 0.00 42.46 41.23 1qxt s ILE 47 CO 0.00 0.38 0.99 0.00 0.00 0.00 0.00 174.94 176.32 1qxt n THR 49 N 6.14 0.22 1.06 0.00 -2.24 -0.75 -3.81 114.28 114.91 1qxt n THR 49 Ca 0.09 -0.13 0.12 0.00 -2.27 0.00 0.00 64.05 61.86 1qxt n THR 49 Cb 0.48 -0.25 0.14 0.00 -2.10 0.00 0.00 70.33 68.60 1qxt n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1qxt n THR 50 N -1.82 0.00 0.00 4.28 -2.24 -1.25 -5.01 114.28 108.24 1qxt n THR 50 Ca 0.05 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1qxt n THR 50 Cb 0.38 1.36 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 1qxt n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qxt n GLY 51 N 1.34 0.16 3.74 3.38 0.00 -1.25 -5.02 105.19 107.55 1qxt n GLY 51 Ca 0.14 -1.42 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 1qxt n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qxt s LYS 52 N 0.00 4.75 -0.04 1.61 1.02 -1.26 -4.41 119.74 121.40 1qxt s LYS 52 Ca 0.00 1.42 -0.30 0.00 0.02 0.00 0.00 55.97 57.11 1qxt s LYS 52 Cb 0.00 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 1qxt s LYS 52 CO 0.00 0.40 1.11 -1.17 -0.92 0.00 0.00 175.35 174.77 1qxt s LEU 53 N -0.67 4.30 0.00 3.17 2.96 -1.26 -4.93 118.68 122.25 1qxt s LEU 53 Ca 0.42 1.74 0.20 0.00 -0.22 0.00 0.00 54.13 56.28 1qxt s LEU 53 Cb -0.24 -3.56 0.90 0.00 0.50 0.00 0.00 46.19 43.78 1qxt s LEU 53 CO 0.30 -0.47 1.64 -0.81 -1.32 0.00 0.00 176.35 175.69 1qxt n PRO 54 N 4.73 0.08 -4.34 0.98 -0.04 -1.26 -4.80 135.00 130.35 1qxt n PRO 54 Ca 0.09 0.14 -0.18 0.00 -0.04 0.00 0.00 63.50 63.51 1qxt n PRO 54 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 1qxt n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qxt s VAL 55 N -2.89 1.53 0.51 0.52 -7.23 -1.26 -4.72 120.40 106.86 1qxt s VAL 55 Ca 0.12 -2.15 -0.19 0.00 -1.81 0.00 0.00 61.98 57.95 1qxt s VAL 55 Cb 0.13 -2.10 -0.07 0.00 0.56 0.00 0.00 36.38 34.90 1qxt s VAL 55 CO 0.35 -0.55 1.06 -2.84 -0.31 0.00 0.00 175.10 172.80 1qxt s PRO 56 N -3.70 3.65 0.27 4.82 0.02 -1.26 -4.97 135.00 133.84 1qxt s PRO 56 Ca 0.23 1.39 -0.01 0.00 0.02 0.00 0.00 61.00 62.62 1qxt s PRO 56 Cb 0.01 -2.07 0.47 0.00 0.02 0.00 0.00 34.50 32.93 1qxt s PRO 56 CO 0.06 -0.56 1.86 -1.49 -0.33 0.00 0.00 177.00 176.54 1qxt h TRP 57 N 1.34 1.16 0.00 6.54 4.06 -1.96 -2.72 115.95 124.36 1qxt h TRP 57 Ca -0.49 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.49 1qxt h TRP 57 Cb 1.23 -0.37 -0.00 0.00 -1.00 0.00 0.00 29.16 29.01 1qxt h TRP 57 CO 0.56 0.54 -0.00 -1.35 -3.56 0.00 0.00 178.44 174.62 1qxt h PRO 58 N 1.08 0.00 0.00 0.49 0.11 -1.88 -2.08 132.00 129.72 1qxt h PRO 58 Ca 0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.54 1qxt h PRO 58 Cb 0.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 1qxt h PRO 58 CO -0.22 0.00 -0.15 1.79 -0.21 0.00 0.00 178.00 179.22 1qxt h THR 59 N 0.00 0.38 -0.01 -1.15 1.35 -1.87 -2.93 112.91 108.68 1qxt h THR 59 Ca -0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1qxt h THR 59 Cb 0.01 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1qxt h THR 59 CO 0.00 0.15 -0.35 0.18 -0.25 0.00 0.00 175.52 175.25 1qxt n LEU 60 N -3.31 1.82 -0.15 3.87 4.77 -0.79 -4.53 117.00 118.68 1qxt n LEU 60 Ca 0.00 -0.63 -0.03 0.00 -0.03 0.00 0.00 56.01 55.32 1qxt n LEU 60 Cb 0.39 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.51 1qxt n LEU 60 CO 0.31 0.33 0.95 0.58 -1.33 0.00 0.00 177.39 178.24 1qxt h VAL 61 N 2.31 0.81 -0.43 4.08 2.07 -1.42 -0.10 116.25 123.58 1qxt h VAL 61 Ca 0.00 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 1qxt h VAL 61 Cb 0.70 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1qxt h VAL 61 CO 0.00 0.06 -0.18 0.71 0.02 0.00 0.00 177.57 178.18 1qxt h THR 62 N 0.32 1.27 -0.51 2.57 1.35 -1.81 -0.61 112.91 115.49 1qxt h THR 62 Ca 0.23 -1.28 -0.06 0.00 -0.55 0.00 0.00 66.41 64.75 1qxt h THR 62 Cb 0.26 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 67.79 1qxt h THR 62 CO -0.25 0.43 0.08 0.74 -0.25 0.00 0.00 175.52 176.27 1qxt h THR 63 N 0.72 1.25 0.00 6.82 2.02 -1.71 0.38 112.91 122.39 1qxt h THR 63 Ca 0.11 -0.93 0.00 0.00 0.77 0.00 0.00 66.41 66.36 1qxt h THR 63 Cb 0.69 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1qxt h THR 63 CO 0.05 0.33 0.00 -0.07 0.37 0.00 0.00 175.52 176.20 1qxt h LEU 64 N 0.72 0.00 0.00 2.58 3.38 -0.85 -3.37 115.31 117.77 1qxt h LEU 64 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1qxt h LEU 64 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1qxt h LEU 64 CO 0.01 0.00 -0.53 0.35 0.09 0.00 0.00 178.44 178.36 1qxt n THR 65 N -2.77 0.00 0.32 0.22 -2.24 -0.25 -4.62 114.28 104.94 1qxt n THR 65 Ca 0.05 -0.30 0.15 0.00 -2.27 0.00 0.00 64.05 61.67 1qxt n THR 65 Cb 0.48 0.85 0.66 0.00 -2.10 0.00 0.00 70.33 70.22 1qxt n THR 65 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 1qxt h TYR 66 N 0.00 0.00 0.00 4.78 -0.00 -1.08 -1.91 116.97 118.77 1qxt h TYR 66 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1qxt h TYR 66 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.91 1qxt h TYR 66 CO 0.00 0.00 -0.26 0.78 -0.00 0.00 0.00 178.16 178.68 1qxt h GLY 67 N 1.65 0.00 -2.89 0.10 0.00 -1.82 -3.25 103.07 96.86 1qxt h GLY 67 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1qxt h GLY 67 CO 0.00 0.00 0.19 3.33 0.00 0.00 0.00 176.54 180.06 1qxt n VAL 68 N -2.56 2.76 0.76 4.60 0.24 -0.72 -4.50 118.33 118.92 1qxt n VAL 68 Ca 0.04 -2.03 0.08 0.00 -2.04 0.00 0.00 64.34 60.39 1qxt n VAL 68 Cb 0.48 -0.35 0.41 0.00 -1.47 0.00 0.00 33.84 32.91 1qxt n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qxt n GLN 69 N -0.64 0.22 0.03 7.34 6.02 -1.23 -2.03 117.38 127.09 1qxt n GLN 69 Ca 0.38 0.14 0.12 0.00 -0.01 0.00 0.00 57.00 57.62 1qxt n GLN 69 Cb 1.25 -1.50 0.48 0.00 1.02 0.00 0.00 30.24 31.49 1qxt n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qxt n PHE 71 N -1.68 1.19 -2.33 0.00 3.72 -0.86 -4.70 117.46 112.80 1qxt n PHE 71 Ca 0.05 -0.50 -0.39 0.00 -0.05 0.00 0.00 57.45 56.56 1qxt n PHE 71 Cb 0.29 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.65 1qxt n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1qxt s SER 72 N -0.89 6.86 -0.38 4.37 0.01 -1.11 -4.05 113.70 118.50 1qxt s SER 72 Ca 0.45 2.38 -0.24 0.00 1.31 0.00 0.00 55.95 59.85 1qxt s SER 72 Cb 0.27 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.89 1qxt s SER 72 CO 0.24 -0.44 0.83 -0.60 0.41 0.00 0.00 173.24 173.68 1qxt s ARG 73 N -1.90 3.74 -0.27 12.44 3.52 -0.24 -4.81 118.95 131.44 1qxt s ARG 73 Ca 0.51 0.35 -0.13 0.00 -0.13 0.00 0.00 55.73 56.33 1qxt s ARG 73 Cb -0.33 -3.82 -0.04 0.00 -1.56 0.00 0.00 34.95 29.20 1qxt s ARG 73 CO 0.42 -0.92 0.29 0.71 -0.81 0.00 0.00 175.30 175.00 1qxt s TYR 74 N 3.26 3.24 0.71 5.12 1.51 -1.26 -0.76 117.35 129.17 1qxt s TYR 74 Ca 0.34 0.29 -0.16 0.00 -1.01 0.00 0.00 57.07 56.52 1qxt s TYR 74 Cb -0.13 -2.49 0.02 0.00 -0.11 0.00 0.00 41.96 39.26 1qxt s TYR 74 CO 0.18 -0.19 1.19 -2.30 -1.11 0.00 0.00 175.55 173.32 1qxt n PRO 75 N 5.19 0.72 -0.25 -1.71 -0.02 -1.26 -4.70 135.00 132.97 1qxt n PRO 75 Ca -0.11 0.31 0.05 0.00 -2.02 0.00 0.00 63.50 61.73 1qxt n PRO 75 Cb 0.51 -2.43 0.17 0.00 -0.02 0.00 0.00 33.50 31.74 1qxt n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1qxt h ASP 76 N -0.04 -0.10 0.37 2.55 3.58 -2.00 -0.44 116.42 120.34 1qxt h ASP 76 Ca -0.49 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.12 1qxt h ASP 76 Cb 1.33 0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.62 1qxt h ASP 76 CO 0.50 -0.09 0.00 0.00 -2.88 0.00 0.00 179.24 176.77 1qxt n HIS 77 N -5.22 0.04 0.41 0.28 1.44 -1.26 -2.09 115.22 108.83 1qxt n HIS 77 Ca 0.14 0.02 0.05 0.00 -2.01 0.00 0.00 57.72 55.92 1qxt n HIS 77 Cb 0.47 -0.53 0.04 0.00 0.12 0.00 0.00 29.99 30.08 1qxt n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1qxt n MET 78 N -1.54 0.56 0.20 -1.40 2.81 -0.22 -4.76 117.12 112.77 1qxt n MET 78 Ca 0.02 -1.03 0.18 0.00 -1.81 0.00 0.00 57.70 55.07 1qxt n MET 78 Cb 0.12 -1.17 0.83 0.00 -0.71 0.00 0.00 33.22 32.29 1qxt n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1qxt h LYS 79 N 1.82 0.00 0.00 0.03 1.57 -0.92 -0.87 116.57 118.20 1qxt h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qxt h LYS 79 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1qxt h LYS 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 1qxt n GLN 80 N -3.65 0.80 -0.20 3.15 0.00 -1.26 -2.86 117.38 113.37 1qxt n GLN 80 Ca 0.02 0.01 0.06 0.00 0.00 0.00 0.00 57.00 57.09 1qxt n GLN 80 Cb 0.39 -1.50 0.17 0.00 0.00 0.00 0.00 30.24 29.30 1qxt n GLN 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1qxt n HIS 81 N -1.05 0.51 -3.01 2.61 8.25 -0.33 -4.65 115.22 117.55 1qxt n HIS 81 Ca 0.20 -0.50 -0.44 0.00 -0.26 0.00 0.00 57.72 56.71 1qxt n HIS 81 Cb 0.12 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 1qxt n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1qxt s ASP 82 N -1.01 6.74 0.05 0.41 -1.08 -1.14 -4.55 116.67 116.09 1qxt s ASP 82 Ca 0.26 -2.35 -0.24 0.00 -0.52 0.00 0.00 52.55 49.70 1qxt s ASP 82 Cb 0.13 -2.36 -0.16 0.00 -1.46 0.00 0.00 42.92 39.07 1qxt s ASP 82 CO 0.17 -0.91 1.54 0.15 0.52 0.00 0.00 175.17 176.64 1qxt h PHE 83 N 8.33 0.04 -0.69 -5.34 3.57 -1.91 -3.17 116.94 117.77 1qxt h PHE 83 Ca 0.17 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.80 1qxt h PHE 83 Cb 1.00 -0.01 -0.13 0.00 2.79 0.00 0.00 35.95 39.60 1qxt h PHE 83 CO 1.12 0.24 -0.24 0.74 -2.23 0.00 0.00 178.31 177.94 1qxt h PHE 84 N -0.17 -0.59 -0.01 0.41 0.04 -1.89 -2.25 116.94 112.47 1qxt h PHE 84 Ca 0.01 0.07 -0.17 0.00 2.80 0.00 0.00 57.97 60.67 1qxt h PHE 84 Cb 0.22 0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 1qxt h PHE 84 CO -0.00 -0.34 -0.78 0.87 -0.60 0.00 0.00 178.31 177.46 1qxt h LYS 85 N -0.06 0.13 0.00 1.51 1.57 -1.84 -3.26 116.57 114.62 1qxt h LYS 85 Ca 0.31 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1qxt h LYS 85 Cb 0.54 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1qxt h LYS 85 CO -0.74 0.84 -0.09 0.66 -0.57 0.00 0.00 179.45 179.56 1qxt h SER 86 N 0.08 0.00 0.67 0.86 4.64 -1.39 -2.55 113.55 115.87 1qxt h SER 86 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1qxt h SER 86 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 1qxt h SER 86 CO 0.11 0.09 -0.22 0.00 -0.87 0.00 0.00 176.83 175.95 1qxt n ALA 87 N -2.18 2.90 -2.02 5.18 0.00 -1.01 -4.71 120.51 118.67 1qxt n ALA 87 Ca -0.01 -0.23 -0.33 0.00 0.00 0.00 0.00 53.44 52.87 1qxt n ALA 87 Cb 0.29 -1.30 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 1qxt n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1qxt s MET 88 N -2.89 4.08 0.47 0.00 1.00 -0.96 0.18 119.30 121.19 1qxt s MET 88 Ca 0.16 0.84 0.27 0.00 0.00 0.00 0.00 55.69 56.95 1qxt s MET 88 Cb 0.19 -2.33 0.89 0.00 0.00 0.00 0.00 34.83 33.57 1qxt s MET 88 CO 0.58 0.08 1.81 -1.00 0.00 0.00 0.00 175.02 176.49 1qxt h PRO 89 N 2.09 0.00 -0.23 2.03 0.13 -1.90 -3.38 132.00 130.74 1qxt h PRO 89 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1qxt h PRO 89 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1qxt h PRO 89 CO 0.64 0.10 0.04 0.93 -0.23 0.00 0.00 178.00 179.48 1qxt h GLU 90 N 0.00 0.33 0.00 0.86 3.07 -1.90 -1.61 114.58 115.33 1qxt h GLU 90 Ca -0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1qxt h GLU 90 Cb 0.77 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 1qxt h GLU 90 CO 0.01 0.32 0.00 0.41 -1.40 0.00 0.00 179.01 178.36 1qxt n GLY 91 N -1.19 -0.97 3.14 -3.84 0.00 0.13 -4.59 105.19 97.86 1qxt n GLY 91 Ca 0.00 -1.21 -0.08 0.00 0.00 0.00 0.00 46.02 44.73 1qxt n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qxt s TYR 92 N 0.00 0.28 -0.20 1.61 -0.85 0.04 -1.26 117.35 116.97 1qxt s TYR 92 Ca 0.00 -0.71 -0.08 0.00 -0.52 0.00 0.00 57.07 55.76 1qxt s TYR 92 Cb 0.00 -0.19 -0.04 0.00 0.38 0.00 0.00 41.96 42.11 1qxt s TYR 92 CO 0.00 -0.43 0.09 0.08 -1.52 0.00 0.00 175.55 173.76 1qxt s VAL 93 N -3.47 4.98 0.07 -3.49 1.01 0.08 -1.23 120.40 118.35 1qxt s VAL 93 Ca 0.02 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.12 1qxt s VAL 93 Cb 0.04 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.13 1qxt s VAL 93 CO -0.09 0.44 -0.20 0.00 0.00 0.00 0.00 175.10 175.25 1qxt s GLN 94 N 0.49 1.23 0.03 2.72 -2.07 0.33 -1.08 119.66 121.31 1qxt s GLN 94 Ca 0.05 -1.01 0.05 0.00 -1.82 0.00 0.00 55.36 52.63 1qxt s GLN 94 Cb -0.12 -1.39 -0.02 0.00 -1.09 0.00 0.00 33.01 30.38 1qxt s GLN 94 CO 0.00 0.34 -0.14 -1.21 -1.32 0.00 0.00 175.29 172.96 1qxt s GLU 95 N -1.47 0.99 -0.11 9.60 2.02 -0.16 -0.15 118.70 129.42 1qxt s GLU 95 Ca 0.06 -0.74 -0.14 0.00 0.02 0.00 0.00 54.97 54.17 1qxt s GLU 95 Cb -0.09 -1.00 0.04 0.00 0.10 0.00 0.00 34.13 33.18 1qxt s GLU 95 CO 0.03 0.25 0.38 0.00 0.02 0.00 0.00 175.26 175.93 1qxt s ALA 96 N -0.79 -0.94 -0.21 5.21 0.00 -0.54 -0.94 121.76 123.55 1qxt s ALA 96 Ca 0.02 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1qxt s ALA 96 Cb -0.08 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.62 1qxt s ALA 96 CO 0.01 -0.20 -0.14 0.99 0.00 0.00 0.00 175.76 176.42 1qxt s THR 97 N -0.18 2.38 -0.42 0.00 2.01 -0.51 -0.15 115.64 118.77 1qxt s THR 97 Ca -0.03 -1.06 -0.09 0.00 0.31 0.00 0.00 61.69 60.81 1qxt s THR 97 Cb -0.03 -2.14 0.08 0.00 0.01 0.00 0.00 72.50 70.42 1qxt s THR 97 CO 0.02 0.34 0.27 -0.63 -0.69 0.00 0.00 174.62 173.92 1qxt s ILE 98 N 1.28 4.25 -0.27 1.82 1.09 -0.25 -1.53 121.20 127.59 1qxt s ILE 98 Ca 0.01 -1.41 -0.11 0.00 -1.10 0.00 0.00 60.65 58.04 1qxt s ILE 98 Cb -0.15 -3.61 -0.05 0.00 -1.06 0.00 0.00 42.46 37.59 1qxt s ILE 98 CO -0.09 -0.52 0.20 -0.44 -0.10 0.00 0.00 174.94 174.00 1qxt s SER 99 N 2.15 6.08 -0.22 3.58 0.01 0.25 -0.58 113.70 124.97 1qxt s SER 99 Ca 0.03 0.07 -0.15 0.00 1.31 0.00 0.00 55.95 57.21 1qxt s SER 99 Cb -0.23 -2.13 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 1qxt s SER 99 CO 0.02 -0.03 0.37 -0.36 0.41 0.00 0.00 173.24 173.65 1qxt s PHE 100 N 1.59 3.33 0.21 2.43 0.08 -0.26 -1.06 117.98 124.30 1qxt s PHE 100 Ca 0.08 0.53 -0.32 0.00 0.12 0.00 0.00 56.93 57.34 1qxt s PHE 100 Cb -0.15 -2.51 -0.12 0.00 -0.57 0.00 0.00 43.02 39.66 1qxt s PHE 100 CO 0.09 -0.06 1.67 1.17 -0.10 0.00 0.00 175.22 178.00 1qxt n LYS 101 N 4.68 2.63 -1.62 0.44 4.81 -0.60 -1.70 118.16 126.80 1qxt n LYS 101 Ca -0.09 0.95 -0.18 0.00 -0.87 0.00 0.00 58.31 58.11 1qxt n LYS 101 Cb 0.51 -2.77 -0.07 0.00 0.02 0.00 0.00 35.03 32.72 1qxt n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1qxt n ASP 102 N 3.64 -5.23 -0.25 3.14 8.00 -1.26 -4.81 116.55 119.78 1qxt n ASP 102 Ca 0.15 0.41 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1qxt n ASP 102 Cb 0.34 -4.34 0.00 0.00 -0.02 0.00 0.00 41.12 37.10 1qxt n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1qxt n ASP 103 N -1.02 0.00 -2.22 -2.24 -0.08 -0.69 -4.94 116.55 105.36 1qxt n ASP 103 Ca -0.19 -0.25 0.00 0.00 -1.51 0.00 0.00 54.79 52.85 1qxt n ASP 103 Cb 0.61 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.07 1qxt n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qxt n GLY 104 N 0.00 -0.57 3.01 0.27 0.00 -1.16 -4.59 105.19 102.16 1qxt n GLY 104 Ca 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.21 1qxt n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qxt s ASN 105 N -1.00 0.19 -0.20 1.61 2.20 -0.65 -1.11 114.94 115.99 1qxt s ASN 105 Ca 0.00 -0.44 -0.08 0.00 -0.94 0.00 0.00 52.86 51.40 1qxt s ASN 105 Cb 0.00 0.12 -0.04 0.00 -2.00 0.00 0.00 41.25 39.33 1qxt s ASN 105 CO 0.00 -0.32 0.08 -0.31 -2.94 0.00 0.00 177.10 173.61 1qxt s TYR 106 N -1.46 3.24 -0.31 1.54 2.02 0.25 -1.16 117.35 121.47 1qxt s TYR 106 Ca -0.16 0.03 -0.07 0.00 -0.37 0.00 0.00 57.07 56.50 1qxt s TYR 106 Cb -0.09 -2.13 0.01 0.00 -0.40 0.00 0.00 41.96 39.35 1qxt s TYR 106 CO -0.00 0.06 0.10 0.15 -1.57 0.00 0.00 175.55 174.29 1qxt s LYS 107 N 0.67 3.00 0.18 -0.62 1.02 0.52 -1.08 119.74 123.42 1qxt s LYS 107 Ca 0.04 -0.92 0.11 0.00 0.02 0.00 0.00 55.97 55.22 1qxt s LYS 107 Cb -0.13 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 1qxt s LYS 107 CO 0.02 -0.50 -0.22 0.95 -0.92 0.00 0.00 175.35 174.67 1qxt s THR 108 N 1.49 2.50 -0.06 2.17 -4.23 0.79 -1.00 115.64 117.30 1qxt s THR 108 Ca 0.02 -1.92 -0.04 0.00 -1.18 0.00 0.00 61.69 58.57 1qxt s THR 108 Cb -0.18 -2.19 0.03 0.00 1.34 0.00 0.00 72.50 71.50 1qxt s THR 108 CO 0.03 -0.08 0.15 -0.60 -0.54 0.00 0.00 174.62 173.58 1qxt s ARG 109 N -2.60 0.15 0.02 3.99 3.52 -0.72 -1.46 118.95 121.84 1qxt s ARG 109 Ca 0.21 0.29 -0.03 0.00 -0.13 0.00 0.00 55.73 56.07 1qxt s ARG 109 Cb -0.08 -0.02 -0.01 0.00 -1.56 0.00 0.00 34.95 33.27 1qxt s ARG 109 CO 0.10 -0.08 0.03 0.00 -0.81 0.00 0.00 175.30 174.54 1qxt s ALA 110 N 0.55 -0.02 -0.26 6.12 0.00 0.79 -0.94 121.76 128.00 1qxt s ALA 110 Ca -0.04 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1qxt s ALA 110 Cb -0.05 0.14 0.04 0.00 0.00 0.00 0.00 23.12 23.25 1qxt s ALA 110 CO -0.03 -0.19 -0.05 -2.00 0.00 0.00 0.00 175.76 173.50 1qxt s GLU 111 N -1.53 2.64 -0.21 0.00 2.12 -0.12 -0.52 118.70 121.09 1qxt s GLU 111 Ca -0.15 -1.11 -0.03 0.00 0.36 0.00 0.00 54.97 54.05 1qxt s GLU 111 Cb -0.09 -3.03 -0.00 0.00 0.26 0.00 0.00 34.13 31.28 1qxt s GLU 111 CO -0.00 -0.48 -0.08 0.08 -0.54 0.00 0.00 175.26 174.24 1qxt s VAL 112 N 1.28 3.11 0.32 3.70 1.01 -0.36 -1.46 120.40 127.99 1qxt s VAL 112 Ca -0.02 -0.58 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 1qxt s VAL 112 Cb -0.18 -2.40 0.04 0.00 0.00 0.00 0.00 36.38 33.85 1qxt s VAL 112 CO -0.04 0.45 0.79 -1.59 0.00 0.00 0.00 175.10 174.72 1qxt s LYS 113 N 1.41 1.95 -0.16 2.72 -2.85 -0.97 -0.78 119.74 121.06 1qxt s LYS 113 Ca 0.05 -1.19 -0.15 0.00 -1.00 0.00 0.00 55.97 53.69 1qxt s LYS 113 Cb -0.14 0.59 -0.04 0.00 -2.06 0.00 0.00 37.83 36.17 1qxt s LYS 113 CO -0.05 -0.90 0.33 -0.06 0.10 0.00 0.00 175.35 174.77 1qxt s PHE 114 N -2.94 3.46 -0.55 1.78 0.08 -0.61 -0.77 117.98 118.43 1qxt s PHE 114 Ca 0.14 0.64 0.04 0.00 0.12 0.00 0.00 56.93 57.87 1qxt s PHE 114 Cb -0.05 -2.40 0.14 0.00 -0.57 0.00 0.00 43.02 40.14 1qxt s PHE 114 CO 0.09 0.20 0.30 -1.21 -0.10 0.00 0.00 175.22 174.49 1qxt s GLU 115 N 0.59 2.08 5.06 0.44 0.41 0.36 -4.91 118.70 122.73 1qxt s GLU 115 Ca 0.18 -2.70 0.00 0.00 -0.41 0.00 0.00 54.97 52.05 1qxt s GLU 115 Cb -0.13 -3.36 0.00 0.00 -1.78 0.00 0.00 34.13 28.85 1qxt s GLU 115 CO 0.05 -1.13 0.00 0.41 -0.49 0.00 0.00 175.26 174.10 1qxt n GLY 116 N 3.02 1.10 1.38 -1.39 0.00 -1.26 -3.00 105.19 105.04 1qxt n GLY 116 Ca 0.07 -0.78 0.03 0.00 0.00 0.00 0.00 46.02 45.34 1qxt n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qxt n ASP 117 N 5.79 4.28 -4.31 1.61 8.00 -1.26 -4.95 116.55 125.71 1qxt n ASP 117 Ca 0.00 -3.15 -0.32 0.00 0.71 0.00 0.00 54.79 52.03 1qxt n ASP 117 Cb 0.00 -0.63 -0.16 0.00 -0.02 0.00 0.00 41.12 40.31 1qxt n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1qxt s THR 118 N -2.92 2.29 -0.23 -3.53 2.01 -1.16 -4.29 115.64 107.80 1qxt s THR 118 Ca 0.48 -0.99 -0.20 0.00 0.31 0.00 0.00 61.69 61.29 1qxt s THR 118 Cb 0.39 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 71.03 1qxt s THR 118 CO 0.10 0.57 0.63 -0.22 -0.69 0.00 0.00 174.62 175.01 1qxt s LEU 119 N -0.24 4.10 0.01 4.42 1.98 -0.64 -0.49 118.68 127.83 1qxt s LEU 119 Ca -0.01 0.76 0.05 0.00 -2.89 0.00 0.00 54.13 52.04 1qxt s LEU 119 Cb -0.13 -2.87 -0.03 0.00 0.66 0.00 0.00 46.19 43.82 1qxt s LEU 119 CO 0.03 -0.32 -0.12 -0.69 -1.89 0.00 0.00 176.35 173.35 1qxt s VAL 120 N 2.23 3.21 -0.20 1.68 1.01 0.05 -1.43 120.40 126.95 1qxt s VAL 120 Ca 0.27 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1qxt s VAL 120 Cb -0.16 -2.35 0.05 0.00 0.00 0.00 0.00 36.38 33.91 1qxt s VAL 120 CO 0.09 0.41 -0.08 0.20 0.00 0.00 0.00 175.10 175.73 1qxt s ASN 121 N -1.30 3.31 -0.33 3.32 0.02 0.09 -2.28 114.94 117.77 1qxt s ASN 121 Ca 0.15 -0.88 -0.06 0.00 -1.02 0.00 0.00 52.86 51.05 1qxt s ASN 121 Cb -0.11 -1.12 0.04 0.00 0.02 0.00 0.00 41.25 40.08 1qxt s ASN 121 CO 0.05 -0.18 0.09 -0.13 0.02 0.00 0.00 177.10 176.96 1qxt s ARG 122 N 1.47 2.63 0.06 -0.60 0.52 -0.53 -0.97 118.95 121.53 1qxt s ARG 122 Ca -0.02 -1.17 0.08 0.00 -0.52 0.00 0.00 55.73 54.11 1qxt s ARG 122 Cb -0.16 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.84 1qxt s ARG 122 CO -0.08 -0.65 -0.21 0.42 0.02 0.00 0.00 175.30 174.80 1qxt s ILE 123 N 1.39 2.61 -0.05 1.52 1.01 0.61 -0.94 121.20 127.35 1qxt s ILE 123 Ca -0.02 -1.34 0.04 0.00 0.00 0.00 0.00 60.65 59.33 1qxt s ILE 123 Cb -0.19 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.17 1qxt s ILE 123 CO 0.02 0.28 -0.17 -1.61 0.00 0.00 0.00 174.94 173.47 1qxt s GLU 124 N -1.57 1.85 -0.02 2.79 2.02 -0.11 -1.44 118.70 122.22 1qxt s GLU 124 Ca 0.14 -0.59 0.04 0.00 0.02 0.00 0.00 54.97 54.58 1qxt s GLU 124 Cb -0.10 -1.57 -0.01 0.00 0.10 0.00 0.00 34.13 32.55 1qxt s GLU 124 CO 0.05 0.20 -0.12 -1.17 0.02 0.00 0.00 175.26 174.24 1qxt s LEU 125 N 0.18 1.94 -0.21 1.80 0.20 -0.19 -1.76 118.68 120.65 1qxt s LEU 125 Ca -0.07 -0.23 -0.01 0.00 0.69 0.00 0.00 54.13 54.51 1qxt s LEU 125 Cb -0.13 -0.66 0.06 0.00 -0.43 0.00 0.00 46.19 45.03 1qxt s LEU 125 CO 0.03 0.13 -0.02 -0.75 -0.29 0.00 0.00 176.35 175.45 1qxt s LYS 126 N -0.11 1.20 -0.29 1.98 2.20 -0.17 -1.36 119.74 123.18 1qxt s LYS 126 Ca 0.01 -0.70 -0.11 0.00 -0.36 0.00 0.00 55.97 54.81 1qxt s LYS 126 Cb -0.07 -2.32 -0.04 0.00 -1.51 0.00 0.00 37.83 33.89 1qxt s LYS 126 CO 0.00 -0.60 0.20 0.20 -0.36 0.00 0.00 175.35 174.80 1qxt s GLY 127 N 1.61 1.93 0.20 5.54 0.00 0.15 -0.36 107.32 116.40 1qxt s GLY 127 Ca -0.03 -1.17 0.09 0.00 0.00 0.00 0.00 44.72 43.61 1qxt s GLY 127 CO -0.07 0.68 -0.18 -0.26 0.00 0.00 0.00 173.10 173.27 1qxt s ILE 128 N 1.75 1.97 -1.53 0.90 -4.36 -0.31 -2.66 121.20 116.96 1qxt s ILE 128 Ca 0.07 -2.08 -0.14 0.00 -0.26 0.00 0.00 60.65 58.24 1qxt s ILE 128 Cb -0.16 -2.00 0.08 0.00 1.25 0.00 0.00 42.46 41.63 1qxt s ILE 128 CO 0.11 -0.37 0.95 0.47 0.24 0.00 0.00 174.94 176.33 1qxt n ASP 129 N -0.02 -4.84 -4.81 4.36 8.00 -1.26 -1.63 116.55 116.35 1qxt n ASP 129 Ca -0.10 -0.74 -0.39 0.00 0.71 0.00 0.00 54.79 54.27 1qxt n ASP 129 Cb 0.58 -3.86 -0.06 0.00 -0.02 0.00 0.00 41.12 37.76 1qxt n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1qxt s PHE 130 N -3.27 3.81 0.01 1.24 0.40 -1.26 -2.97 117.98 115.93 1qxt s PHE 130 Ca 0.65 1.29 -0.26 0.00 -0.60 0.00 0.00 56.93 58.00 1qxt s PHE 130 Cb -0.32 -2.52 -0.04 0.00 0.51 0.00 0.00 43.02 40.64 1qxt s PHE 130 CO 0.80 0.57 0.83 0.15 0.70 0.00 0.00 175.22 178.27 1qxt s LYS 131 N -1.06 4.52 0.49 0.44 1.02 -1.26 -4.93 119.74 118.95 1qxt s LYS 131 Ca 0.29 1.15 0.24 0.00 0.02 0.00 0.00 55.97 57.68 1qxt s LYS 131 Cb -0.20 -3.42 1.25 0.00 -0.52 0.00 0.00 37.83 34.94 1qxt s LYS 131 CO 0.19 0.11 2.00 0.93 -0.92 0.00 0.00 175.35 177.66 1qxt h GLU 132 N 6.31 0.00 -0.05 1.68 5.08 -1.97 -1.52 114.58 124.11 1qxt h GLU 132 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1qxt h GLU 132 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1qxt h GLU 132 CO 0.74 0.17 0.00 -0.40 -1.00 0.00 0.00 179.01 178.52 1qxt n ASP 133 N -3.69 2.02 -4.00 1.42 5.68 -1.26 -3.76 116.55 112.96 1qxt n ASP 133 Ca -0.02 -1.68 -0.30 0.00 -0.50 0.00 0.00 54.79 52.29 1qxt n ASP 133 Cb 0.29 -0.02 0.21 0.00 -1.14 0.00 0.00 41.12 40.46 1qxt n ASP 133 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1qxt s GLY 134 N -1.94 1.74 0.45 6.12 0.00 -0.57 -4.85 107.32 108.27 1qxt s GLY 134 Ca 0.35 -1.17 0.25 0.00 0.00 0.00 0.00 44.72 44.14 1qxt s GLY 134 CO 0.32 -0.35 1.82 3.43 0.00 0.00 0.00 173.10 178.31 1qxt h ASN 135 N -1.93 0.00 0.00 1.64 2.35 -1.93 -2.07 115.58 113.65 1qxt h ASN 135 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 1qxt h ASN 135 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1qxt h ASN 135 CO 0.35 0.19 -0.15 0.40 -1.65 0.00 0.00 177.43 176.57 1qxt h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.94 -2.20 117.51 121.21 1qxt h ILE 136 Ca -0.00 -0.64 0.00 0.00 -0.12 0.00 0.00 64.86 64.09 1qxt h ILE 136 Cb 0.76 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.55 1qxt h ILE 136 CO 0.03 0.00 0.00 -0.07 -0.68 0.00 0.00 178.15 177.43 1qxt h LEU 137 N -0.64 0.00 -0.90 1.44 3.38 -1.73 -2.45 115.31 114.40 1qxt h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qxt h LEU 137 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1qxt h LEU 137 CO 0.00 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 179.13 1qxt n GLY 138 N 0.09 -0.08 3.81 0.83 0.00 -0.78 -4.97 105.19 104.10 1qxt n GLY 138 Ca 0.01 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.34 1qxt n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qxt n HIS 139 N 0.08 -1.79 0.42 1.61 8.25 -0.92 -4.92 115.22 117.95 1qxt n HIS 139 Ca 0.19 0.70 0.12 0.00 -0.26 0.00 0.00 57.72 58.47 1qxt n HIS 139 Cb 0.34 -3.86 0.23 0.00 1.12 0.00 0.00 29.99 27.83 1qxt n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1qxt n LYS 140 N -4.30 2.43 -3.45 -0.41 5.02 -0.83 -4.98 118.16 111.65 1qxt n LYS 140 Ca -0.25 -2.16 -0.36 0.00 -2.02 0.00 0.00 58.31 53.51 1qxt n LYS 140 Cb 0.66 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.11 1qxt n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qxt s LEU 141 N -1.50 4.41 0.52 -0.35 1.43 -1.25 -1.42 118.68 120.52 1qxt s LEU 141 Ca 0.38 0.99 -0.19 0.00 -1.03 0.00 0.00 54.13 54.28 1qxt s LEU 141 Cb 0.22 -2.92 -0.07 0.00 0.03 0.00 0.00 46.19 43.46 1qxt s LEU 141 CO 0.31 0.22 1.08 -1.61 0.23 0.00 0.00 176.35 176.58 1qxt s GLU 142 N -1.53 3.57 -1.30 1.70 2.02 0.39 -4.87 118.70 118.68 1qxt s GLU 142 Ca 0.31 1.45 -0.14 0.00 0.02 0.00 0.00 54.97 56.60 1qxt s GLU 142 Cb -0.16 -2.05 0.12 0.00 0.10 0.00 0.00 34.13 32.14 1qxt s GLU 142 CO 0.17 -0.64 1.77 0.98 0.02 0.00 0.00 175.26 177.56 1qxt n TYR 143 N -1.20 4.16 -3.83 1.61 9.36 -1.26 -4.81 117.16 121.19 1qxt n TYR 143 Ca 0.10 -3.02 -0.08 0.00 3.32 0.00 0.00 57.90 58.23 1qxt n TYR 143 Cb 0.52 -2.33 0.01 0.00 -0.63 0.00 0.00 39.34 36.91 1qxt n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1qxt s ASN 144 N 2.83 -0.08 -0.23 2.98 2.20 -1.26 -4.85 114.94 116.52 1qxt s ASN 144 Ca 0.46 -0.93 -0.07 0.00 -0.94 0.00 0.00 52.86 51.38 1qxt s ASN 144 Cb 0.05 0.78 0.11 0.00 -2.00 0.00 0.00 41.25 40.19 1qxt s ASN 144 CO 0.01 -1.52 0.47 -0.47 -2.94 0.00 0.00 177.10 172.65 1qxt s TYR 145 N -2.82 -0.96 0.75 1.54 5.04 -1.26 -4.78 117.35 114.86 1qxt s TYR 145 Ca 0.14 1.64 -0.12 0.00 -2.44 0.00 0.00 57.07 56.30 1qxt s TYR 145 Cb -0.05 0.40 0.05 0.00 0.35 0.00 0.00 41.96 42.70 1qxt s TYR 145 CO 0.09 -0.57 1.10 -0.80 -1.34 0.00 0.00 175.55 174.04 1qxt s ASN 146 N 2.68 4.54 0.27 4.32 0.01 -1.26 -4.36 114.94 121.14 1qxt s ASN 146 Ca 0.00 1.90 -0.29 0.00 -0.71 0.00 0.00 52.86 53.75 1qxt s ASN 146 Cb -0.13 -2.53 -0.09 0.00 0.41 0.00 0.00 41.25 38.91 1qxt s ASN 146 CO -0.15 -2.01 1.05 -0.44 -1.51 0.00 0.00 177.10 174.04 1qxt s SER 147 N -3.14 7.38 0.32 -1.22 0.01 -1.26 -4.67 113.70 111.11 1qxt s SER 147 Ca 0.63 2.16 -0.14 0.00 1.31 0.00 0.00 55.95 59.91 1qxt s SER 147 Cb -0.18 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.45 1qxt s SER 147 CO 0.53 -0.05 0.64 -1.38 0.41 0.00 0.00 173.24 173.39 1qxt s HIS 148 N -1.18 0.26 0.17 2.43 -3.43 -0.85 -5.02 115.29 107.67 1qxt s HIS 148 Ca 0.44 -0.73 0.06 0.00 -0.80 0.00 0.00 55.06 54.02 1qxt s HIS 148 Cb -0.30 0.49 -0.04 0.00 -1.43 0.00 0.00 32.58 31.31 1qxt s HIS 148 CO 0.38 -1.28 0.07 -0.80 -2.00 0.00 0.00 174.74 171.11 1qxt s ASN 149 N -3.05 5.17 -0.32 7.38 0.01 -1.26 -0.65 114.94 122.23 1qxt s ASN 149 Ca 0.19 -0.25 0.03 0.00 -0.71 0.00 0.00 52.86 52.11 1qxt s ASN 149 Cb -0.03 -1.25 0.10 0.00 0.41 0.00 0.00 41.25 40.48 1qxt s ASN 149 CO 0.11 0.08 0.05 -0.69 -1.51 0.00 0.00 177.10 175.14 1qxt s VAL 150 N -1.74 1.86 -0.16 1.60 1.01 0.18 -4.76 120.40 118.38 1qxt s VAL 150 Ca 0.29 -2.02 -0.29 0.00 0.00 0.00 0.00 61.98 59.97 1qxt s VAL 150 Cb -0.10 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1qxt s VAL 150 CO 0.21 -0.58 1.11 -0.31 0.00 0.00 0.00 175.10 175.53 1qxt s TYR 151 N 1.12 3.24 -0.03 5.22 2.02 -0.83 -1.28 117.35 126.81 1qxt s TYR 151 Ca 0.09 1.35 0.03 0.00 -0.37 0.00 0.00 57.07 58.17 1qxt s TYR 151 Cb -0.19 -3.33 -0.03 0.00 -0.40 0.00 0.00 41.96 38.01 1qxt s TYR 151 CO -0.12 -0.84 -0.09 0.42 -1.57 0.00 0.00 175.55 173.34 1qxt s ILE 152 N 2.88 3.48 0.02 2.71 1.01 0.26 -0.98 121.20 130.57 1qxt s ILE 152 Ca 0.49 -0.69 -0.03 0.00 0.00 0.00 0.00 60.65 60.42 1qxt s ILE 152 Cb -0.19 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 1qxt s ILE 152 CO 0.13 0.50 0.04 0.28 0.00 0.00 0.00 174.94 175.89 1qxt s THR 153 N -0.87 0.12 0.40 2.92 -1.32 -0.41 -2.39 115.64 114.10 1qxt s THR 153 Ca 0.14 -1.01 -0.20 0.00 -1.21 0.00 0.00 61.69 59.42 1qxt s THR 153 Cb -0.11 -0.60 -0.10 0.00 -1.51 0.00 0.00 72.50 70.18 1qxt s THR 153 CO 0.04 -0.55 0.89 0.00 -2.21 0.00 0.00 174.62 172.79 1qxt s ALA 154 N -2.01 3.12 -0.53 11.08 0.00 -1.25 -1.04 121.76 131.13 1qxt s ALA 154 Ca -0.10 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.21 1qxt s ALA 154 Cb -0.05 -3.05 0.16 0.00 0.00 0.00 0.00 23.12 20.17 1qxt s ALA 154 CO -0.02 0.18 0.36 0.34 0.00 0.00 0.00 175.76 176.62 1qxt s ASP 155 N -2.18 3.49 0.50 0.00 2.15 0.05 -4.77 116.67 115.90 1qxt s ASP 155 Ca 0.59 -3.22 0.15 0.00 0.43 0.00 0.00 52.55 50.51 1qxt s ASP 155 Cb -0.10 -1.11 1.19 0.00 -0.30 0.00 0.00 42.92 42.60 1qxt s ASP 155 CO 0.15 -0.17 2.11 0.11 -0.17 0.00 0.00 175.17 177.19 1qxt h LYS 156 N 5.92 0.00 -0.13 4.34 1.57 -1.95 -1.19 116.57 125.13 1qxt h LYS 156 Ca 0.12 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.81 1qxt h LYS 156 Cb 0.86 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1qxt h LYS 156 CO 0.55 0.05 -0.35 1.96 -0.57 0.00 0.00 179.45 181.09 1qxt h GLN 157 N 0.00 0.27 -0.33 3.15 4.20 -1.94 -3.04 115.11 117.43 1qxt h GLN 157 Ca 0.00 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1qxt h GLN 157 Cb 0.09 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1qxt h GLN 157 CO 0.01 0.59 0.00 1.63 -0.67 0.00 0.00 178.83 180.39 1qxt n LYS 158 N -4.07 2.39 -2.61 1.46 5.02 -1.13 -4.98 118.16 114.24 1qxt n LYS 158 Ca -0.01 -1.98 -0.19 0.00 -2.02 0.00 0.00 58.31 54.12 1qxt n LYS 158 Cb 0.44 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1qxt n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1qxt n ASN 159 N 0.75 -5.12 0.00 4.39 2.85 -0.78 -4.62 115.26 112.73 1qxt n ASN 159 Ca 0.13 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1qxt n ASN 159 Cb 0.44 -4.25 0.00 0.00 1.24 0.00 0.00 39.78 37.20 1qxt n ASN 159 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qxt n GLY 160 N -1.06 5.41 3.37 8.20 0.00 -0.52 -4.54 105.19 116.06 1qxt n GLY 160 Ca -0.17 -1.24 -0.19 0.00 0.00 0.00 0.00 46.02 44.42 1qxt n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qxt s ILE 161 N 0.92 0.76 0.01 -0.61 -4.36 -0.95 -0.77 121.20 116.20 1qxt s ILE 161 Ca 0.00 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.42 1qxt s ILE 161 Cb 0.00 -2.67 -0.01 0.00 1.25 0.00 0.00 42.46 41.03 1qxt s ILE 161 CO 0.00 0.00 -0.10 -0.54 0.24 0.00 0.00 174.94 174.54 1qxt s LYS 162 N -3.95 0.75 0.00 0.37 1.02 -0.21 -1.06 119.74 116.66 1qxt s LYS 162 Ca 0.37 -0.44 0.02 0.00 0.02 0.00 0.00 55.97 55.94 1qxt s LYS 162 Cb 0.08 -0.71 -0.01 0.00 -0.52 0.00 0.00 37.83 36.67 1qxt s LYS 162 CO 0.15 0.19 -0.07 0.00 -0.92 0.00 0.00 175.35 174.69 1qxt s ALA 163 N -0.43 0.56 -0.08 5.17 0.00 0.10 -1.29 121.76 125.80 1qxt s ALA 163 Ca 0.02 -0.37 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 1qxt s ALA 163 Cb -0.05 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1qxt s ALA 163 CO -0.00 0.11 0.28 1.21 0.00 0.00 0.00 175.76 177.36 1qxt s ASN 164 N -0.40 -0.25 0.01 0.00 3.84 -0.16 0.30 114.94 118.28 1qxt s ASN 164 Ca 0.01 0.42 -0.28 0.00 0.21 0.00 0.00 52.86 53.21 1qxt s ASN 164 Cb -0.04 0.51 0.10 0.00 -0.55 0.00 0.00 41.25 41.27 1qxt s ASN 164 CO -0.00 -0.19 0.85 0.72 -2.79 0.00 0.00 177.10 175.68 1qxt s PHE 165 N -0.27 -0.38 -0.17 0.43 -0.12 -1.01 -1.97 117.98 114.48 1qxt s PHE 165 Ca -0.04 0.27 -0.08 0.00 -0.05 0.00 0.00 56.93 57.03 1qxt s PHE 165 Cb -0.03 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 1qxt s PHE 165 CO 0.01 -0.58 0.09 0.15 -0.05 0.00 0.00 175.22 174.84 1qxt s LYS 166 N -3.06 3.92 -0.08 1.99 -0.14 -1.26 -1.64 119.74 119.46 1qxt s LYS 166 Ca 0.04 -0.28 -0.02 0.00 -1.36 0.00 0.00 55.97 54.35 1qxt s LYS 166 Cb -0.01 -3.25 -0.03 0.00 -1.68 0.00 0.00 37.83 32.86 1qxt s LYS 166 CO -0.09 0.37 0.00 0.42 -0.76 0.00 0.00 175.35 175.30 1qxt s ILE 167 N 0.11 4.31 -0.41 2.17 1.01 0.16 -4.92 121.20 123.64 1qxt s ILE 167 Ca 0.07 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.49 1qxt s ILE 167 Cb -0.12 -2.82 0.11 0.00 0.01 0.00 0.00 42.46 39.65 1qxt s ILE 167 CO 0.00 0.60 0.14 -0.13 0.00 0.00 0.00 174.94 175.55 1qxt s ARG 168 N -0.91 1.56 0.05 2.79 0.52 -1.26 -1.36 118.95 120.35 1qxt s ARG 168 Ca 0.14 -2.07 -0.30 0.00 -0.52 0.00 0.00 55.73 52.98 1qxt s ARG 168 Cb -0.11 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 1qxt s ARG 168 CO 0.03 -1.02 0.96 -1.01 0.02 0.00 0.00 175.30 174.27 1qxt s HIS 169 N 0.51 3.73 -0.23 -0.53 3.76 -0.23 -4.66 115.29 117.64 1qxt s HIS 169 Ca 0.14 1.73 -0.24 0.00 -0.15 0.00 0.00 55.06 56.54 1qxt s HIS 169 Cb -0.22 -3.07 -0.01 0.00 1.11 0.00 0.00 32.58 30.39 1qxt s HIS 169 CO -0.06 0.10 0.80 -0.80 -0.85 0.00 0.00 174.74 173.93 1qxt s ASN 170 N 0.50 6.82 0.36 1.40 0.01 -1.26 0.16 114.94 122.93 1qxt s ASN 170 Ca 0.49 1.02 -0.10 0.00 -0.71 0.00 0.00 52.86 53.55 1qxt s ASN 170 Cb -0.22 -2.43 -0.07 0.00 0.41 0.00 0.00 41.25 38.95 1qxt s ASN 170 CO 0.29 -0.47 0.71 -0.63 -1.51 0.00 0.00 177.10 175.48 1qxt s ILE 171 N 2.67 4.82 0.54 0.60 1.01 0.05 -0.46 121.20 130.43 1qxt s ILE 171 Ca 0.34 0.55 0.25 0.00 0.00 0.00 0.00 60.65 61.80 1qxt s ILE 171 Cb -0.15 -3.71 0.38 0.00 0.01 0.00 0.00 42.46 38.99 1qxt s ILE 171 CO 0.08 -0.41 2.02 1.05 0.00 0.00 0.00 174.94 177.68 1qxt h GLU 172 N 1.56 0.00 -0.00 2.79 4.11 -1.53 -1.84 114.58 119.67 1qxt h GLU 172 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1qxt h GLU 172 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1qxt h GLU 172 CO 0.65 0.00 -0.13 -0.40 0.07 0.00 0.00 179.01 179.20 1qxt n ASP 173 N -4.25 0.31 0.00 3.06 5.68 -1.26 -4.91 116.55 115.18 1qxt n ASP 173 Ca 0.07 -0.24 0.00 0.00 -0.50 0.00 0.00 54.79 54.13 1qxt n ASP 173 Cb 0.53 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.36 1qxt n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qxt n GLY 174 N 1.36 1.28 3.93 6.12 0.00 -0.69 -5.10 105.19 112.10 1qxt n GLY 174 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1qxt n GLY 174 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qxt s SER 175 N -1.84 3.73 0.06 1.61 0.15 -1.26 -4.82 113.70 111.33 1qxt s SER 175 Ca 0.00 0.33 0.08 0.00 0.70 0.00 0.00 55.95 57.06 1qxt s SER 175 Cb 0.00 -0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 63.71 1qxt s SER 175 CO 0.00 -2.34 -0.22 0.68 1.20 0.00 0.00 173.24 172.56 1qxt s VAL 176 N -3.67 1.81 -0.35 4.45 -7.23 -1.26 -0.77 120.40 113.38 1qxt s VAL 176 Ca 0.69 -1.33 -0.09 0.00 -1.81 0.00 0.00 61.98 59.43 1qxt s VAL 176 Cb -0.06 -1.58 0.02 0.00 0.56 0.00 0.00 36.38 35.32 1qxt s VAL 176 CO 0.50 0.18 0.16 -1.58 -0.31 0.00 0.00 175.10 174.06 1qxt s GLN 177 N -1.37 2.88 0.40 4.82 2.00 0.12 -4.91 119.66 123.59 1qxt s GLN 177 Ca 0.09 -1.03 -0.23 0.00 -2.00 0.00 0.00 55.36 52.18 1qxt s GLN 177 Cb -0.09 -3.61 -0.10 0.00 0.80 0.00 0.00 33.01 30.01 1qxt s GLN 177 CO 0.03 -0.62 0.99 -0.51 -0.50 0.00 0.00 175.29 174.68 1qxt s LEU 178 N 1.52 4.11 -0.10 3.68 1.43 -1.26 -1.07 118.68 126.99 1qxt s LEU 178 Ca 0.02 1.88 -0.17 0.00 -1.03 0.00 0.00 54.13 54.83 1qxt s LEU 178 Cb -0.19 -4.27 0.04 0.00 0.03 0.00 0.00 46.19 41.80 1qxt s LEU 178 CO 0.05 -0.38 0.42 0.00 0.23 0.00 0.00 176.35 176.68 1qxt s ALA 179 N -1.82 -1.07 -0.07 4.21 0.00 -0.46 -1.55 121.76 121.01 1qxt s ALA 179 Ca 0.58 0.94 0.04 0.00 0.00 0.00 0.00 51.96 53.52 1qxt s ALA 179 Cb -0.17 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1qxt s ALA 179 CO 0.22 -0.24 -0.20 0.34 0.00 0.00 0.00 175.76 175.88 1qxt s ASP 180 N -0.47 3.52 -0.22 0.00 -1.08 -0.22 0.39 116.67 118.60 1qxt s ASP 180 Ca -0.06 -0.38 -0.01 0.00 -0.52 0.00 0.00 52.55 51.58 1qxt s ASP 180 Cb -0.03 -0.97 0.02 0.00 -1.46 0.00 0.00 42.92 40.47 1qxt s ASP 180 CO 0.03 0.26 -0.11 -2.28 0.52 0.00 0.00 175.17 173.59 1qxt s HIS 181 N -0.24 2.94 -0.21 -5.34 5.65 -0.65 -0.58 115.29 116.85 1qxt s HIS 181 Ca -0.00 -1.46 -0.00 0.00 0.25 0.00 0.00 55.06 53.84 1qxt s HIS 181 Cb -0.13 -2.01 0.02 0.00 -1.18 0.00 0.00 32.58 29.27 1qxt s HIS 181 CO 0.03 -0.72 -0.14 -0.47 -0.65 0.00 0.00 174.74 172.80 1qxt s TYR 182 N 1.34 2.90 0.04 3.88 5.04 -0.59 -2.39 117.35 127.58 1qxt s TYR 182 Ca 0.03 -1.52 0.09 0.00 -2.44 0.00 0.00 57.07 53.22 1qxt s TYR 182 Cb -0.15 -1.98 -0.03 0.00 0.35 0.00 0.00 41.96 40.15 1qxt s TYR 182 CO -0.07 -0.74 -0.23 -1.14 -1.34 0.00 0.00 175.55 172.02 1qxt s GLN 183 N 1.32 1.89 -0.04 4.97 0.74 0.15 -1.42 119.66 127.27 1qxt s GLN 183 Ca 0.03 -1.07 0.01 0.00 0.05 0.00 0.00 55.36 54.39 1qxt s GLN 183 Cb -0.14 -2.05 0.02 0.00 1.10 0.00 0.00 33.01 31.94 1qxt s GLN 183 CO -0.09 0.52 -0.04 -0.65 -0.55 0.00 0.00 175.29 174.48 1qxt s GLN 184 N -1.32 0.74 -0.05 1.67 -0.21 -0.11 -0.72 119.66 119.66 1qxt s GLN 184 Ca 0.13 -0.08 0.06 0.00 0.02 0.00 0.00 55.36 55.48 1qxt s GLN 184 Cb -0.10 -0.77 -0.01 0.00 1.00 0.00 0.00 33.01 33.13 1qxt s GLN 184 CO 0.03 -0.08 -0.23 -0.80 -2.12 0.00 0.00 175.29 172.09 1qxt s ASN 185 N 0.90 2.82 -0.05 5.90 -0.87 -0.22 -0.99 114.94 122.44 1qxt s ASN 185 Ca -0.11 -0.47 -0.00 0.00 -1.57 0.00 0.00 52.86 50.71 1qxt s ASN 185 Cb -0.14 -0.75 0.03 0.00 -0.02 0.00 0.00 41.25 40.36 1qxt s ASN 185 CO -0.00 0.22 0.00 -0.89 -2.57 0.00 0.00 177.10 173.87 1qxt s THR 186 N -0.14 0.24 0.54 1.60 2.01 -0.24 -2.23 115.64 117.42 1qxt s THR 186 Ca -0.03 0.12 -0.22 0.00 0.31 0.00 0.00 61.69 61.87 1qxt s THR 186 Cb -0.13 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 1qxt s THR 186 CO 0.03 0.19 1.35 -2.16 -0.69 0.00 0.00 174.62 173.34 1qxt s PRO 187 N 1.46 3.20 -0.15 4.92 0.04 -1.26 -0.74 135.00 142.47 1qxt s PRO 187 Ca -0.03 2.21 -0.24 0.00 0.04 0.00 0.00 61.00 62.98 1qxt s PRO 187 Cb -0.13 -2.28 -0.24 0.00 0.04 0.00 0.00 34.50 31.89 1qxt s PRO 187 CO -0.03 -1.13 0.55 0.82 0.04 0.00 0.00 177.00 177.25 1qxt h ILE 188 N 1.51 1.35 -4.45 0.56 2.04 -1.45 -3.45 117.51 113.62 1qxt h ILE 188 Ca -0.51 -2.31 -0.47 0.00 1.00 0.00 0.00 64.86 62.57 1qxt h ILE 188 Cb 1.29 2.87 0.11 0.00 -0.74 0.00 0.00 36.82 40.35 1qxt h ILE 188 CO 0.58 0.52 0.37 -0.83 0.00 0.00 0.00 178.15 178.79 1qxt s GLY 189 N -4.57 1.59 0.00 5.37 0.00 -1.26 -4.99 107.32 103.46 1qxt s GLY 189 Ca -0.22 -0.53 0.28 0.00 0.00 0.00 0.00 44.72 44.25 1qxt s GLY 189 CO 0.67 -0.04 1.78 2.09 0.00 0.00 0.00 173.10 177.61 1qxt n ASP 190 N -3.42 1.15 -4.77 1.64 3.85 -1.26 -4.95 116.55 108.79 1qxt n ASP 190 Ca 0.07 -1.26 -0.30 0.00 -0.71 0.00 0.00 54.79 52.59 1qxt n ASP 190 Cb 0.59 0.02 0.11 0.00 -1.35 0.00 0.00 41.12 40.49 1qxt n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 1qxt s GLY 191 N -2.12 1.62 0.35 6.12 0.00 -1.26 -5.03 107.32 107.00 1qxt s GLY 191 Ca 0.36 -0.19 -0.26 0.00 0.00 0.00 0.00 44.72 44.63 1qxt s GLY 191 CO 0.38 0.28 1.06 2.56 0.00 0.00 0.00 173.10 177.38 1qxt s PRO 192 N -5.08 4.36 0.27 2.90 0.04 -1.26 -5.07 135.00 131.15 1qxt s PRO 192 Ca 0.62 1.60 0.11 0.00 0.04 0.00 0.00 61.00 63.37 1qxt s PRO 192 Cb -0.16 -2.79 -0.05 0.00 0.04 0.00 0.00 34.50 31.54 1qxt s PRO 192 CO 0.55 0.02 -0.17 0.14 0.04 0.00 0.00 177.00 177.57 1qxt s VAL 193 N -1.48 2.25 -0.29 -0.36 -7.23 -1.26 -4.75 120.40 107.28 1qxt s VAL 193 Ca 0.52 -2.34 -0.19 0.00 -1.81 0.00 0.00 61.98 58.17 1qxt s VAL 193 Cb -0.25 -2.27 -0.02 0.00 0.56 0.00 0.00 36.38 34.40 1qxt s VAL 193 CO 0.32 -0.43 0.58 -0.76 -0.31 0.00 0.00 175.10 174.50 1qxt s LEU 194 N -3.47 4.12 -0.41 1.32 1.43 -1.26 -5.04 118.68 115.37 1qxt s LEU 194 Ca 0.28 0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 53.64 1qxt s LEU 194 Cb -0.03 -2.74 0.02 0.00 0.03 0.00 0.00 46.19 43.46 1qxt s LEU 194 CO 0.13 -0.40 0.56 -0.76 0.23 0.00 0.00 176.35 176.11 1qxt s LEU 195 N 2.47 4.54 0.61 1.79 1.43 -1.26 -3.96 118.68 124.30 1qxt s LEU 195 Ca 0.23 -0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 52.90 1qxt s LEU 195 Cb -0.15 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.42 1qxt s LEU 195 CO 0.11 -0.65 1.01 -2.16 0.23 0.00 0.00 176.35 174.88 1qxt s PRO 196 N 2.55 3.45 0.60 1.29 0.04 -1.26 -4.92 135.00 136.75 1qxt s PRO 196 Ca 0.19 0.61 -0.04 0.00 0.04 0.00 0.00 61.00 61.80 1qxt s PRO 196 Cb -0.15 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.30 1qxt s PRO 196 CO 0.16 -0.60 0.88 -0.51 0.04 0.00 0.00 177.00 176.97 1qxt s ASP 197 N -4.20 5.29 0.13 6.66 1.01 -1.26 -3.81 116.67 120.48 1qxt s ASP 197 Ca 0.54 0.39 -0.32 0.00 0.71 0.00 0.00 52.55 53.88 1qxt s ASP 197 Cb -0.11 -1.28 -0.11 0.00 1.01 0.00 0.00 42.92 42.43 1qxt s ASP 197 CO 0.52 -1.21 1.82 0.59 0.21 0.00 0.00 175.17 177.09 1qxt n ASN 198 N -2.57 3.96 -2.54 0.27 3.02 -1.26 -4.80 115.26 111.34 1qxt n ASN 198 Ca 0.06 1.00 -0.09 0.00 -0.03 0.00 0.00 54.58 55.52 1qxt n ASN 198 Cb 0.59 -1.53 0.01 0.00 -0.61 0.00 0.00 39.78 38.23 1qxt n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qxt n HIS 199 N 5.38 -1.82 -4.07 3.10 1.44 -1.00 -4.74 115.22 113.51 1qxt n HIS 199 Ca 0.18 -1.69 -0.08 0.00 -2.01 0.00 0.00 57.72 54.12 1qxt n HIS 199 Cb 0.36 0.65 -0.09 0.00 0.12 0.00 0.00 29.99 31.03 1qxt n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1qxt s TYR 200 N -3.35 0.57 -0.21 -1.40 -0.85 -0.49 -0.57 117.35 111.06 1qxt s TYR 200 Ca 0.17 -1.03 -0.03 0.00 -0.52 0.00 0.00 57.07 55.66 1qxt s TYR 200 Cb -0.03 -0.35 -0.01 0.00 0.38 0.00 0.00 41.96 41.96 1qxt s TYR 200 CO 0.13 -0.48 -0.07 -0.51 -1.52 0.00 0.00 175.55 173.10 1qxt s LEU 201 N -2.96 2.78 -0.32 -3.49 1.43 -0.40 -0.65 118.68 115.07 1qxt s LEU 201 Ca 0.13 -0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 52.60 1qxt s LEU 201 Cb 0.07 -1.69 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 1qxt s LEU 201 CO -0.05 0.00 0.73 -0.55 0.23 0.00 0.00 176.35 176.70 1qxt s SER 202 N 1.33 6.57 0.10 2.29 0.15 0.17 -0.65 113.70 123.67 1qxt s SER 202 Ca 0.04 0.50 0.08 0.00 0.70 0.00 0.00 55.95 57.27 1qxt s SER 202 Cb -0.14 -2.37 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 1qxt s SER 202 CO -0.04 -0.59 -0.17 0.42 1.20 0.00 0.00 173.24 174.07 1qxt s THR 203 N 2.85 2.93 -0.07 6.45 -4.23 0.18 -1.24 115.64 122.52 1qxt s THR 203 Ca 0.29 -1.40 -0.05 0.00 -1.18 0.00 0.00 61.69 59.35 1qxt s THR 203 Cb -0.14 -2.33 0.03 0.00 1.34 0.00 0.00 72.50 71.40 1qxt s THR 203 CO 0.13 0.14 0.17 0.00 -0.54 0.00 0.00 174.62 174.53 1qxt s GLN 204 N -2.03 0.16 0.02 3.99 -2.07 -0.75 -2.00 119.66 116.98 1qxt s GLN 204 Ca 0.18 0.35 0.04 0.00 -1.82 0.00 0.00 55.36 54.11 1qxt s GLN 204 Cb -0.11 -0.06 -0.02 0.00 -1.09 0.00 0.00 33.01 31.74 1qxt s GLN 204 CO 0.10 -0.11 -0.12 -1.12 -1.32 0.00 0.00 175.29 172.72 1qxt s SER 205 N 0.75 1.40 -0.15 12.60 0.01 -1.26 -1.36 113.70 125.69 1qxt s SER 205 Ca -0.05 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1qxt s SER 205 Cb -0.07 -0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.08 1qxt s SER 205 CO -0.04 0.04 -0.14 0.00 0.41 0.00 0.00 173.24 173.51 1qxt s ALA 206 N -0.67 1.88 -0.16 1.44 0.00 -0.28 -4.61 121.76 119.36 1qxt s ALA 206 Ca 0.01 -0.92 -0.08 0.00 0.00 0.00 0.00 51.96 50.97 1qxt s ALA 206 Cb -0.07 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 21.95 1qxt s ALA 206 CO 0.01 -0.39 0.11 -0.51 0.00 0.00 0.00 175.76 174.97 1qxt s LEU 207 N 1.48 4.15 0.36 0.00 1.02 -1.26 -1.90 118.68 122.53 1qxt s LEU 207 Ca 0.05 0.29 0.01 0.00 0.02 0.00 0.00 54.13 54.49 1qxt s LEU 207 Cb -0.13 -2.03 -0.00 0.00 0.02 0.00 0.00 46.19 44.04 1qxt s LEU 207 CO -0.11 0.28 0.45 -0.94 0.02 0.00 0.00 176.35 176.06 1qxt s SER 208 N -0.28 1.21 0.15 2.29 1.04 -0.24 -4.94 113.70 112.94 1qxt s SER 208 Ca 0.10 -1.60 0.09 0.00 0.48 0.00 0.00 55.95 55.02 1qxt s SER 208 Cb -0.12 0.66 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 1qxt s SER 208 CO 0.01 -1.28 -0.20 -0.54 0.98 0.00 0.00 173.24 172.21 1qxt s LYS 209 N -3.01 1.28 -0.34 4.02 -0.14 -1.26 -1.75 119.74 118.54 1qxt s LYS 209 Ca 0.33 -1.37 -0.18 0.00 -1.36 0.00 0.00 55.97 53.39 1qxt s LYS 209 Cb -0.00 -1.43 -0.01 0.00 -1.68 0.00 0.00 37.83 34.71 1qxt s LYS 209 CO 0.23 0.30 0.49 0.34 -0.76 0.00 0.00 175.35 175.96 1qxt s ASP 210 N -2.49 6.31 0.58 2.83 -1.08 -1.26 -4.96 116.67 116.61 1qxt s ASP 210 Ca 0.14 0.00 0.28 0.00 -0.52 0.00 0.00 52.55 52.45 1qxt s ASP 210 Cb -0.07 -2.26 1.61 0.00 -1.46 0.00 0.00 42.92 40.74 1qxt s ASP 210 CO 0.07 -0.44 2.08 1.55 0.52 0.00 0.00 175.17 178.94 1qxt h PRO 211 N 8.42 0.00 -0.63 4.34 0.13 -2.04 -2.12 132.00 140.10 1qxt h PRO 211 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1qxt h PRO 211 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1qxt h PRO 211 CO 0.76 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.62 1qxt n ASN 212 N -3.85 3.97 -4.38 1.44 3.02 -1.26 -4.90 115.26 109.29 1qxt n ASN 212 Ca 0.03 -2.31 -0.35 0.00 -0.03 0.00 0.00 54.58 51.91 1qxt n ASN 212 Cb 0.37 -0.51 -0.13 0.00 -0.61 0.00 0.00 39.78 38.89 1qxt n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1qxt s GLU 213 N -1.70 3.49 0.12 3.52 2.56 -0.80 -4.99 118.70 120.90 1qxt s GLU 213 Ca 0.43 -0.59 0.22 0.00 0.00 0.00 0.00 54.97 55.04 1qxt s GLU 213 Cb 0.27 -2.98 -0.09 0.00 2.00 0.00 0.00 34.13 33.32 1qxt s GLU 213 CO 0.22 -0.04 0.88 1.63 -0.56 0.00 0.00 175.26 177.39 1qxt n LYS 214 N 4.35 0.58 -2.25 4.30 4.01 -1.26 -4.90 118.16 122.99 1qxt n LYS 214 Ca -0.18 0.01 -0.32 0.00 -0.51 0.00 0.00 58.31 57.31 1qxt n LYS 214 Cb 0.52 -1.71 -0.02 0.00 -0.51 0.00 0.00 35.03 33.31 1qxt n LYS 214 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1qxt s ARG 215 N -3.39 3.73 -0.06 1.97 0.52 -1.26 -4.97 118.95 115.49 1qxt s ARG 215 Ca -0.02 1.02 -0.30 0.00 -0.52 0.00 0.00 55.73 55.91 1qxt s ARG 215 Cb 0.11 -2.10 -0.05 0.00 0.52 0.00 0.00 34.95 33.43 1qxt s ARG 215 CO 0.83 -0.46 1.64 0.34 0.02 0.00 0.00 175.30 177.67 1qxt s ASP 216 N -3.07 6.68 0.29 0.23 -1.08 -1.26 -4.95 116.67 113.51 1qxt s ASP 216 Ca 0.60 2.22 -0.04 0.00 -0.52 0.00 0.00 52.55 54.81 1qxt s ASP 216 Cb -0.12 -2.53 -0.01 0.00 -1.46 0.00 0.00 42.92 38.80 1qxt s ASP 216 CO 0.35 -0.92 0.40 -1.38 0.52 0.00 0.00 175.17 174.14 1qxt s HIS 217 N 4.01 0.96 -0.16 -5.34 -3.43 -1.26 -1.08 115.29 108.98 1qxt s HIS 217 Ca 0.73 -1.19 -0.07 0.00 -0.80 0.00 0.00 55.06 53.73 1qxt s HIS 217 Cb -0.33 -0.15 0.07 0.00 -1.43 0.00 0.00 32.58 30.75 1qxt s HIS 217 CO 0.29 -0.99 0.36 1.41 -2.00 0.00 0.00 174.74 173.81 1qxt s MET 218 N -3.52 0.28 -0.20 -0.38 1.75 0.24 -4.96 119.30 112.51 1qxt s MET 218 Ca 0.31 0.86 -0.09 0.00 -1.25 0.00 0.00 55.69 55.52 1qxt s MET 218 Cb 0.01 0.11 -0.04 0.00 2.84 0.00 0.00 34.83 37.75 1qxt s MET 218 CO 0.17 -0.23 0.10 0.08 -0.65 0.00 0.00 175.02 174.48 1qxt s VAL 219 N 2.14 5.06 -0.06 10.11 1.01 -0.72 0.05 120.40 137.99 1qxt s VAL 219 Ca -0.04 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.04 1qxt s VAL 219 Cb -0.11 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.98 1qxt s VAL 219 CO -0.11 0.44 -0.13 -0.22 0.00 0.00 0.00 175.10 175.07 1qxt s LEU 220 N 0.48 1.70 -0.18 3.92 2.96 0.70 -1.08 118.68 127.19 1qxt s LEU 220 Ca 0.05 -0.31 -0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1qxt s LEU 220 Cb -0.12 -0.86 0.01 0.00 0.50 0.00 0.00 46.19 45.71 1qxt s LEU 220 CO 0.00 0.05 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.71 1qxt s LEU 221 N 0.57 2.40 -0.02 -0.68 2.96 -0.80 -0.68 118.68 122.43 1qxt s LEU 221 Ca -0.13 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 1qxt s LEU 221 Cb -0.15 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 44.99 1qxt s LEU 221 CO 0.04 0.03 -0.02 -0.70 -1.32 0.00 0.00 176.35 174.38 1qxt s GLU 222 N 1.11 0.33 -0.16 1.98 2.12 0.07 -1.13 118.70 123.03 1qxt s GLU 222 Ca 0.00 -0.05 -0.02 0.00 0.36 0.00 0.00 54.97 55.26 1qxt s GLU 222 Cb -0.14 -0.39 -0.02 0.00 0.26 0.00 0.00 34.13 33.84 1qxt s GLU 222 CO -0.06 -0.01 -0.09 -0.06 -0.54 0.00 0.00 175.26 174.50 1qxt s PHE 223 N 0.39 2.89 -0.10 5.30 0.40 -0.46 -0.89 117.98 125.52 1qxt s PHE 223 Ca -0.04 -0.66 0.00 0.00 -0.60 0.00 0.00 56.93 55.64 1qxt s PHE 223 Cb -0.07 -1.93 0.02 0.00 0.51 0.00 0.00 43.02 41.55 1qxt s PHE 223 CO -0.01 -0.26 -0.09 0.08 0.70 0.00 0.00 175.22 175.64 1qxt s VAL 224 N 0.64 1.06 -0.05 -0.44 1.01 -0.18 -1.81 120.40 120.63 1qxt s VAL 224 Ca -0.05 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1qxt s VAL 224 Cb -0.15 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1qxt s VAL 224 CO 0.03 0.36 -0.07 -0.89 0.00 0.00 0.00 175.10 174.53 1qxt s THR 225 N 1.35 0.73 0.34 3.92 2.01 -0.37 -1.08 115.64 122.54 1qxt s THR 225 Ca -0.02 -0.25 -0.26 0.00 0.31 0.00 0.00 61.69 61.47 1qxt s THR 225 Cb -0.14 -0.71 -0.10 0.00 0.01 0.00 0.00 72.50 71.57 1qxt s THR 225 CO -0.04 0.26 0.96 0.00 -0.69 0.00 0.00 174.62 175.11 1qxt s ALA 226 N 0.73 3.19 0.37 7.40 0.00 0.06 0.43 121.76 133.94 1qxt s ALA 226 Ca -0.12 0.55 -0.15 0.00 0.00 0.00 0.00 51.96 52.24 1qxt s ALA 226 Cb -0.14 -3.20 0.05 0.00 0.00 0.00 0.00 23.12 19.83 1qxt s ALA 226 CO 0.01 0.12 0.76 0.00 0.00 0.00 0.00 175.76 176.65 1qxt s ALA 227 N -1.64 -0.65 0.00 0.00 0.00 0.17 -4.52 121.76 115.11 1qxt s ALA 227 Ca 0.52 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.69 1qxt s ALA 227 Cb -0.19 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.66 1qxt s ALA 227 CO 0.24 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.43 1qxt n GLY 228 N -0.53 2.59 0.21 0.00 0.00 -1.26 -1.40 105.19 104.80 1qxt n GLY 228 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.97 1qxt n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71