#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fqa s ILE 2 N 0.00 4.19 0.18 0.00 1.01 -1.22 -4.91 121.20 120.45 1fqa s ILE 2 Ca 0.00 1.92 -0.30 0.00 0.00 0.00 0.00 60.65 62.27 1fqa s ILE 2 Cb 0.00 -4.22 -0.08 0.00 0.01 0.00 0.00 42.46 38.17 1fqa s ILE 2 CO 0.00 0.45 1.30 -0.70 0.00 0.00 0.00 174.94 175.98 1fqa s GLU 3 N -1.31 4.40 0.21 2.79 2.12 -1.26 -4.73 118.70 120.92 1fqa s GLU 3 Ca 0.41 2.02 -0.12 0.00 0.36 0.00 0.00 54.97 57.63 1fqa s GLU 3 Cb -0.24 -3.21 -0.07 0.00 0.26 0.00 0.00 34.13 30.87 1fqa s GLU 3 CO 0.29 -0.25 0.58 -2.00 -0.54 0.00 0.00 175.26 173.34 1fqa s GLU 4 N 0.03 3.90 0.00 4.30 -6.30 -1.26 -4.38 118.70 114.98 1fqa s GLU 4 Ca 0.57 0.42 0.00 0.00 -2.50 0.00 0.00 54.97 53.46 1fqa s GLU 4 Cb -0.36 -2.72 0.00 0.00 0.00 0.00 0.00 34.13 31.05 1fqa s GLU 4 CO 0.37 0.35 0.00 0.41 0.02 0.00 0.00 175.26 176.41 1fqa n GLY 5 N 0.17 0.73 3.63 -1.50 0.00 -1.26 -5.06 105.19 101.90 1fqa n GLY 5 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 1fqa n GLY 5 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fqa s LYS 6 N -0.93 2.08 -0.07 1.61 -2.85 -1.26 -4.51 119.74 113.80 1fqa s LYS 6 Ca 0.00 -1.63 0.01 0.00 -1.00 0.00 0.00 55.97 53.36 1fqa s LYS 6 Cb 0.00 0.53 0.02 0.00 -2.06 0.00 0.00 37.83 36.32 1fqa s LYS 6 CO 0.00 -0.92 -0.09 -0.51 0.10 0.00 0.00 175.35 173.93 1fqa s LEU 7 N -3.17 1.44 -0.17 2.77 1.43 -0.75 -4.89 118.68 115.35 1fqa s LEU 7 Ca 0.24 -0.25 -0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1fqa s LEU 7 Cb -0.03 -0.73 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 1fqa s LEU 7 CO 0.17 -0.03 -0.07 -0.69 0.23 0.00 0.00 176.35 175.96 1fqa s VAL 8 N 0.98 3.38 -0.06 -1.59 1.01 -1.26 -0.21 120.40 122.66 1fqa s VAL 8 Ca -0.09 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1fqa s VAL 8 Cb -0.15 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1fqa s VAL 8 CO 0.00 0.47 -0.24 -0.63 0.00 0.00 0.00 175.10 174.71 1fqa s ILE 9 N 0.83 2.15 -0.15 2.22 1.01 0.87 -0.70 121.20 127.43 1fqa s ILE 9 Ca -0.02 -1.03 -0.01 0.00 0.00 0.00 0.00 60.65 59.58 1fqa s ILE 9 Cb -0.15 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 1fqa s ILE 9 CO 0.01 0.57 -0.11 0.26 0.00 0.00 0.00 174.94 175.67 1fqa s TRP 10 N -0.17 2.86 0.01 3.97 0.52 -0.32 -0.39 118.94 125.41 1fqa s TRP 10 Ca -0.03 -0.70 -0.04 0.00 0.02 0.00 0.00 56.10 55.34 1fqa s TRP 10 Cb -0.14 -1.91 -0.01 0.00 -1.15 0.00 0.00 33.47 30.27 1fqa s TRP 10 CO 0.04 -0.28 0.07 -1.50 0.02 0.00 0.00 176.95 175.30 1fqa s ILE 11 N 0.60 0.10 0.53 2.03 2.07 -0.76 -1.08 121.20 124.69 1fqa s ILE 11 Ca -0.07 -0.82 -0.21 0.00 -1.41 0.00 0.00 60.65 58.15 1fqa s ILE 11 Cb -0.15 -0.42 -0.06 0.00 0.13 0.00 0.00 42.46 41.97 1fqa s ILE 11 CO 0.03 -0.45 1.19 0.21 -1.91 0.00 0.00 174.94 174.01 1fqa s ASN 12 N -1.49 5.69 0.47 4.50 2.47 -1.26 -4.06 114.94 121.26 1fqa s ASN 12 Ca -0.14 2.34 0.28 0.00 0.42 0.00 0.00 52.86 55.76 1fqa s ASN 12 Cb -0.08 -2.60 1.52 0.00 -1.45 0.00 0.00 41.25 38.64 1fqa s ASN 12 CO 0.00 -1.25 1.84 1.23 -3.72 0.00 0.00 177.10 175.20 1fqa h GLY 13 N 1.44 0.00 -1.91 1.21 0.00 -1.87 -1.33 103.07 100.62 1fqa h GLY 13 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1fqa h GLY 13 CO 0.58 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.21 1fqa n ASP 14 N -2.55 2.87 -4.93 0.19 5.75 -1.26 -4.92 116.55 111.71 1fqa n ASP 14 Ca -0.02 -1.96 -0.21 0.00 -0.01 0.00 0.00 54.79 52.60 1fqa n ASP 14 Cb 0.15 -0.31 -0.01 0.00 -1.03 0.00 0.00 41.12 39.92 1fqa n ASP 14 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1fqa s LYS 15 N -1.38 2.50 -1.41 0.11 -0.14 -0.50 -5.02 119.74 113.90 1fqa s LYS 15 Ca 0.37 -1.58 -0.13 0.00 -1.36 0.00 0.00 55.97 53.27 1fqa s LYS 15 Cb 0.20 -2.44 0.07 0.00 -1.68 0.00 0.00 37.83 33.98 1fqa s LYS 15 CO 0.27 -0.38 2.13 0.41 -0.76 0.00 0.00 175.35 177.02 1fqa n GLY 16 N -1.74 4.47 0.18 -3.33 0.00 -1.26 -4.72 105.19 98.79 1fqa n GLY 16 Ca 0.05 -1.72 -0.01 0.00 0.00 0.00 0.00 46.02 44.34 1fqa n GLY 16 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1fqa h TYR 17 N 5.97 0.14 -0.38 1.61 -0.00 -1.92 -1.17 116.97 121.22 1fqa h TYR 17 Ca 0.52 -0.04 -0.09 0.00 0.00 0.00 0.00 58.73 59.11 1fqa h TYR 17 Cb 0.64 -0.03 -0.02 0.00 0.00 0.00 0.00 36.73 37.33 1fqa h TYR 17 CO 1.40 0.57 -0.16 -0.91 -0.00 0.00 0.00 178.16 179.07 1fqa h ASN 18 N 0.10 0.68 -0.10 0.10 -0.26 -1.98 -0.85 115.58 113.27 1fqa h ASN 18 Ca 0.00 -0.21 -0.15 0.00 -0.56 0.00 0.00 56.30 55.39 1fqa h ASN 18 Cb 0.88 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.95 1fqa h ASN 18 CO 0.07 0.85 -0.43 1.23 -1.06 0.00 0.00 177.43 178.09 1fqa h GLY 19 N 0.98 0.70 1.22 2.83 0.00 -1.70 -2.99 103.07 104.10 1fqa h GLY 19 Ca 0.10 -0.73 -0.10 0.00 0.00 0.00 0.00 47.33 46.60 1fqa h GLY 19 CO 0.04 0.66 -0.10 -2.00 0.00 0.00 0.00 176.54 175.15 1fqa h LEU 20 N 0.52 0.92 -2.37 3.11 5.85 -0.90 -2.33 115.31 120.11 1fqa h LEU 20 Ca 0.04 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1fqa h LEU 20 Cb 0.96 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1fqa h LEU 20 CO 0.09 1.03 0.01 0.00 -0.34 0.00 0.00 178.44 179.23 1fqa h ALA 21 N 1.05 1.63 -0.34 1.25 0.00 -1.02 0.47 119.26 122.30 1fqa h ALA 21 Ca 0.14 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1fqa h ALA 21 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1fqa h ALA 21 CO 0.04 -0.02 -0.22 1.49 0.00 0.00 0.00 179.25 180.55 1fqa h GLU 22 N 0.00 0.66 -0.10 0.00 4.81 -1.31 -0.75 114.58 117.90 1fqa h GLU 22 Ca 0.01 -0.25 -0.19 0.00 -0.13 0.00 0.00 59.36 58.79 1fqa h GLU 22 Cb 0.03 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1fqa h GLU 22 CO -0.00 0.83 -0.73 0.28 -0.73 0.00 0.00 179.01 178.66 1fqa h VAL 23 N 0.59 1.36 -0.54 0.32 2.07 -0.95 -2.91 116.25 116.19 1fqa h VAL 23 Ca 0.09 -2.10 -0.02 0.00 0.82 0.00 0.00 66.70 65.49 1fqa h VAL 23 Cb 0.69 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 1fqa h VAL 23 CO 0.05 0.64 0.24 1.23 0.02 0.00 0.00 177.57 179.75 1fqa h GLY 24 N 1.14 0.81 0.97 2.17 0.00 -0.83 -1.38 103.07 105.96 1fqa h GLY 24 Ca -0.03 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1fqa h GLY 24 CO 0.13 0.36 0.23 1.70 0.00 0.00 0.00 176.54 178.97 1fqa h LYS 25 N 0.76 0.74 -0.59 4.80 3.64 -0.99 -1.19 116.57 123.73 1fqa h LYS 25 Ca 0.19 -0.12 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1fqa h LYS 25 Cb 0.10 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 1fqa h LYS 25 CO -0.02 0.63 0.05 -0.22 -2.27 0.00 0.00 179.45 177.62 1fqa h LYS 26 N 0.68 0.99 -0.30 1.90 3.64 -1.23 -0.44 116.57 121.80 1fqa h LYS 26 Ca 0.17 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1fqa h LYS 26 Cb 0.14 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1fqa h LYS 26 CO -0.02 0.94 0.15 0.35 -2.27 0.00 0.00 179.45 178.60 1fqa h PHE 27 N 0.92 0.44 -0.24 1.91 3.57 -0.95 -1.36 116.94 121.22 1fqa h PHE 27 Ca 0.18 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 1fqa h PHE 27 Cb 0.46 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1fqa h PHE 27 CO 0.03 0.39 -0.25 1.49 -2.23 0.00 0.00 178.31 177.73 1fqa h GLU 28 N 0.36 0.47 -0.46 1.11 4.81 -1.02 0.10 114.58 119.95 1fqa h GLU 28 Ca 0.10 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1fqa h GLU 28 Cb 0.11 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1fqa h GLU 28 CO -0.01 0.69 0.07 -0.22 -0.73 0.00 0.00 179.01 178.80 1fqa h LYS 29 N 0.41 0.72 0.03 1.92 3.64 -0.72 0.67 116.57 123.24 1fqa h LYS 29 Ca 0.06 -0.15 -0.29 0.00 -1.27 0.00 0.00 60.65 58.99 1fqa h LYS 29 Cb 0.67 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1fqa h LYS 29 CO 0.05 0.68 -1.64 -0.44 -2.27 0.00 0.00 179.45 175.83 1fqa h ASP 30 N 0.69 0.09 0.00 4.20 3.32 -0.94 -3.40 116.42 120.38 1fqa h ASP 30 Ca 0.15 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1fqa h ASP 30 Cb 0.32 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1fqa h ASP 30 CO 0.00 1.16 -0.95 0.35 -1.72 0.00 0.00 179.24 178.08 1fqa n THR 31 N -3.18 0.00 -0.97 0.35 -2.24 0.33 -4.99 114.28 103.59 1fqa n THR 31 Ca -0.17 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1fqa n THR 31 Cb 1.04 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 1fqa n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fqa n GLY 32 N 1.70 0.85 3.64 3.38 0.00 0.23 -5.00 105.19 109.99 1fqa n GLY 32 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1fqa n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fqa s ILE 33 N -3.36 5.12 0.29 -0.61 -1.09 -1.25 -4.97 121.20 115.33 1fqa s ILE 33 Ca 0.00 0.83 -0.29 0.00 -2.23 0.00 0.00 60.65 58.96 1fqa s ILE 33 Cb 0.00 -3.79 -0.09 0.00 -1.58 0.00 0.00 42.46 36.99 1fqa s ILE 33 CO 0.00 0.16 1.05 -0.75 -1.23 0.00 0.00 174.94 174.18 1fqa s LYS 34 N 1.82 4.61 -0.12 2.79 2.20 -1.26 -3.39 119.74 126.38 1fqa s LYS 34 Ca 0.21 1.67 0.03 0.00 -0.36 0.00 0.00 55.97 57.52 1fqa s LYS 34 Cb -0.15 -3.09 0.01 0.00 -1.51 0.00 0.00 37.83 33.09 1fqa s LYS 34 CO 0.09 0.22 -0.23 0.08 -0.36 0.00 0.00 175.35 175.16 1fqa s VAL 35 N -1.27 2.03 -0.18 4.02 1.01 -1.26 -1.80 120.40 122.95 1fqa s VAL 35 Ca 0.46 -0.98 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1fqa s VAL 35 Cb -0.29 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.32 1fqa s VAL 35 CO 0.36 0.55 -0.11 -0.89 0.00 0.00 0.00 175.10 175.01 1fqa s THR 36 N 0.60 2.93 -0.21 3.92 2.01 0.71 -4.89 115.64 120.71 1fqa s THR 36 Ca -0.13 -0.66 -0.08 0.00 0.31 0.00 0.00 61.69 61.13 1fqa s THR 36 Cb -0.17 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1fqa s THR 36 CO 0.03 0.48 0.10 -0.69 -0.69 0.00 0.00 174.62 173.85 1fqa s VAL 37 N 1.08 4.93 0.11 3.82 1.01 -1.26 -0.09 120.40 130.00 1fqa s VAL 37 Ca 0.00 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.06 1fqa s VAL 37 Cb -0.15 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1fqa s VAL 37 CO -0.03 0.40 -0.13 -1.61 0.00 0.00 0.00 175.10 173.74 1fqa s GLU 38 N 0.78 0.96 -0.41 2.72 2.02 0.47 -4.97 118.70 120.28 1fqa s GLU 38 Ca 0.05 -1.21 0.08 0.00 0.02 0.00 0.00 54.97 53.92 1fqa s GLU 38 Cb -0.13 -0.78 0.27 0.00 0.10 0.00 0.00 34.13 33.58 1fqa s GLU 38 CO 0.02 0.14 0.57 -2.39 0.02 0.00 0.00 175.26 173.62 1fqa n HIS 39 N 0.55 0.03 -1.14 1.61 1.44 -1.26 -1.82 115.22 114.63 1fqa n HIS 39 Ca -0.16 -3.64 -0.32 0.00 -2.01 0.00 0.00 57.72 51.59 1fqa n HIS 39 Cb 0.57 -0.38 0.12 0.00 0.12 0.00 0.00 29.99 30.42 1fqa n HIS 39 CO 0.00 0.00 0.00 -1.25 -2.81 0.00 0.00 176.34 172.28 1fqa s PRO 40 N -1.47 1.82 0.46 -1.40 0.04 -1.26 -4.58 135.00 128.60 1fqa s PRO 40 Ca 0.36 1.48 -0.23 0.00 0.04 0.00 0.00 61.00 62.66 1fqa s PRO 40 Cb 0.20 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.84 1fqa s PRO 40 CO -0.10 -2.02 1.18 -0.51 0.04 0.00 0.00 177.00 175.59 1fqa s ASP 41 N -2.70 6.11 -1.65 6.66 1.01 -1.26 -3.34 116.67 121.50 1fqa s ASP 41 Ca 0.67 2.35 -0.12 0.00 0.71 0.00 0.00 52.55 56.16 1fqa s ASP 41 Cb -0.23 -2.61 0.11 0.00 1.01 0.00 0.00 42.92 41.21 1fqa s ASP 41 CO 0.53 -0.96 0.50 0.29 0.21 0.00 0.00 175.17 175.73 1fqa n LYS 42 N -0.50 -2.20 0.27 8.23 5.02 -1.26 -4.81 118.16 122.90 1fqa n LYS 42 Ca 0.07 0.27 0.11 0.00 -2.02 0.00 0.00 58.31 56.75 1fqa n LYS 42 Cb 0.48 -4.57 0.73 0.00 -0.02 0.00 0.00 35.03 31.65 1fqa n LYS 42 CO 0.00 0.00 0.00 1.37 -0.52 0.00 0.00 177.40 178.25 1fqa h LEU 43 N -1.50 0.00 -1.68 -0.35 8.10 -1.95 -1.38 115.31 116.54 1fqa h LEU 43 Ca -0.62 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.34 1fqa h LEU 43 Cb 1.39 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.60 1fqa h LEU 43 CO 0.76 0.08 -0.18 1.05 -4.11 0.00 0.00 178.44 176.03 1fqa h GLU 44 N 0.00 0.00 0.05 0.17 9.09 -1.91 0.04 114.58 122.03 1fqa h GLU 44 Ca -0.00 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.07 1fqa h GLU 44 Cb 0.18 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.24 1fqa h GLU 44 CO 0.01 0.18 -1.96 0.39 0.05 0.00 0.00 179.01 177.68 1fqa n GLU 45 N -3.79 0.69 -0.16 1.06 4.71 -0.65 -4.31 120.64 118.18 1fqa n GLU 45 Ca -0.02 0.24 -0.11 0.00 -0.01 0.00 0.00 57.16 57.27 1fqa n GLU 45 Cb 0.29 -1.71 0.01 0.00 -1.01 0.00 0.00 31.44 29.02 1fqa n GLU 45 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1fqa h LYS 46 N 0.03 1.00 -0.02 3.49 1.57 -0.99 -3.28 116.57 118.37 1fqa h LYS 46 Ca -0.39 -0.41 0.03 0.00 -1.87 0.00 0.00 60.65 58.01 1fqa h LYS 46 Cb 2.03 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 34.26 1fqa h LYS 46 CO 0.06 1.09 -0.22 0.35 -0.57 0.00 0.00 179.45 180.16 1fqa h PHE 47 N 0.87 -0.58 0.00 -1.35 3.57 -1.18 -1.32 116.94 116.95 1fqa h PHE 47 Ca 0.12 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1fqa h PHE 47 Cb 0.76 0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 1fqa h PHE 47 CO 0.05 -0.30 -0.04 -1.00 -2.23 0.00 0.00 178.31 174.79 1fqa h PRO 48 N -0.34 0.00 0.14 6.41 0.13 -1.76 0.16 132.00 136.75 1fqa h PRO 48 Ca 0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 1fqa h PRO 48 Cb 0.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1fqa h PRO 48 CO -0.21 0.04 -0.07 1.96 -0.23 0.00 0.00 178.00 179.49 1fqa h GLN 49 N 0.00 -0.19 -0.15 0.86 4.20 -1.43 -2.77 115.11 115.63 1fqa h GLN 49 Ca -0.00 0.01 -0.18 0.00 0.06 0.00 0.00 58.65 58.54 1fqa h GLN 49 Cb 0.08 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 1fqa h GLN 49 CO 0.01 0.25 -0.65 -0.39 -0.67 0.00 0.00 178.83 177.37 1fqa h VAL 50 N -0.75 1.33 0.00 -0.54 -1.51 -1.06 -3.01 116.25 110.70 1fqa h VAL 50 Ca -0.02 -1.94 -0.04 0.00 -1.23 0.00 0.00 66.70 63.47 1fqa h VAL 50 Cb 0.53 1.91 -0.01 0.00 -2.13 0.00 0.00 31.29 31.60 1fqa h VAL 50 CO 0.03 0.60 -0.18 0.00 -1.23 0.00 0.00 177.57 176.80 1fqa h ALA 51 N 0.85 1.36 0.00 5.19 0.00 -0.64 -0.92 119.26 125.10 1fqa h ALA 51 Ca -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1fqa h ALA 51 Cb 1.23 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1fqa h ALA 51 CO 0.12 0.22 -0.03 0.00 0.00 0.00 0.00 179.25 179.56 1fqa h ALA 52 N 1.82 1.03 -0.51 0.00 0.00 -1.34 -2.02 119.26 118.24 1fqa h ALA 52 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1fqa h ALA 52 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1fqa h ALA 52 CO 0.02 0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.56 1fqa n THR 53 N -3.17 0.73 -0.81 0.00 -2.24 -0.78 -4.92 114.28 103.09 1fqa n THR 53 Ca -0.00 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1fqa n THR 53 Cb 0.27 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1fqa n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fqa n GLY 54 N 1.44 0.50 0.00 3.38 0.00 -0.76 -4.69 105.19 105.07 1fqa n GLY 54 Ca 0.20 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1fqa n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fqa n ASP 55 N 1.60 1.94 0.00 1.61 9.92 -0.42 -3.45 116.55 127.74 1fqa n ASP 55 Ca 0.00 -0.67 0.00 0.00 -0.53 0.00 0.00 54.79 53.59 1fqa n ASP 55 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1fqa n ASP 55 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1fqa n GLY 56 N 4.84 -1.75 3.85 0.44 0.00 -1.26 -3.21 105.19 108.10 1fqa n GLY 56 Ca 0.00 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.63 1fqa n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fqa s PRO 57 N -0.09 3.34 0.15 1.61 0.04 -1.26 -4.88 135.00 133.91 1fqa s PRO 57 Ca 0.00 0.84 -0.04 0.00 0.04 0.00 0.00 61.00 61.84 1fqa s PRO 57 Cb 0.00 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 1fqa s PRO 57 CO 0.00 -0.77 1.37 -0.44 0.04 0.00 0.00 177.00 177.19 1fqa h ASP 58 N -0.45 0.56 -3.88 6.66 3.32 -1.30 -3.39 116.42 117.93 1fqa h ASP 58 Ca -0.44 -0.40 -0.48 0.00 0.02 0.00 0.00 57.03 55.74 1fqa h ASP 58 Cb 1.20 -0.17 -0.31 0.00 0.22 0.00 0.00 39.33 40.27 1fqa h ASP 58 CO 0.60 1.16 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.85 1fqa s ILE 59 N -3.50 1.02 -0.06 0.35 1.01 -0.95 -0.57 121.20 118.50 1fqa s ILE 59 Ca -0.06 -0.50 0.04 0.00 0.00 0.00 0.00 60.65 60.13 1fqa s ILE 59 Cb 0.10 -0.89 -0.00 0.00 0.01 0.00 0.00 42.46 41.68 1fqa s ILE 59 CO 0.86 0.30 -0.18 -0.51 0.00 0.00 0.00 174.94 175.42 1fqa s ILE 60 N 0.09 1.51 -0.15 2.92 1.10 -0.20 -1.18 121.20 125.29 1fqa s ILE 60 Ca -0.02 -0.74 -0.04 0.00 -0.51 0.00 0.00 60.65 59.34 1fqa s ILE 60 Cb -0.09 -1.30 -0.03 0.00 0.15 0.00 0.00 42.46 41.18 1fqa s ILE 60 CO 0.01 0.43 -0.02 -0.36 -2.11 0.00 0.00 174.94 172.89 1fqa s PHE 61 N 0.17 3.07 -0.02 3.50 0.40 -0.24 -0.66 117.98 124.20 1fqa s PHE 61 Ca -0.08 -0.17 -0.30 0.00 -0.60 0.00 0.00 56.93 55.78 1fqa s PHE 61 Cb -0.13 -1.94 0.11 0.00 0.51 0.00 0.00 43.02 41.56 1fqa s PHE 61 CO 0.03 0.07 1.14 -0.46 0.70 0.00 0.00 175.22 176.70 1fqa s TRP 62 N 0.16 -0.12 0.28 0.36 -0.11 -0.44 -4.42 118.94 114.65 1fqa s TRP 62 Ca -0.00 -0.02 -0.30 0.00 1.22 0.00 0.00 56.10 57.00 1fqa s TRP 62 Cb -0.13 0.56 -0.12 0.00 -1.50 0.00 0.00 33.47 32.27 1fqa s TRP 62 CO 0.02 -0.42 1.52 0.00 -4.62 0.00 0.00 176.95 173.45 1fqa n ALA 63 N -0.36 2.03 -0.09 5.86 0.00 -1.26 -0.84 120.51 125.85 1fqa n ALA 63 Ca -0.06 0.38 0.21 0.00 0.00 0.00 0.00 53.44 53.97 1fqa n ALA 63 Cb 0.61 -2.39 0.65 0.00 0.00 0.00 0.00 19.45 18.31 1fqa n ALA 63 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1fqa h HIS 64 N 4.39 0.14 -0.96 0.00 2.07 -1.48 -2.14 115.15 117.17 1fqa h HIS 64 Ca -0.46 0.00 0.11 0.00 -2.85 0.00 0.00 60.37 57.17 1fqa h HIS 64 Cb 1.24 -0.04 -0.08 0.00 2.57 0.00 0.00 27.41 31.10 1fqa h HIS 64 CO 0.57 0.05 0.61 0.38 -3.07 0.00 0.00 177.93 176.47 1fqa h ASP 65 N 0.12 0.87 0.83 3.10 3.04 -1.86 -0.89 116.42 121.63 1fqa h ASP 65 Ca 0.33 0.04 -0.06 0.00 -3.24 0.00 0.00 57.03 54.10 1fqa h ASP 65 Cb 1.14 -0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 39.28 1fqa h ASP 65 CO -0.04 0.48 -0.28 -0.09 -2.04 0.00 0.00 179.24 177.26 1fqa h ARG 66 N 0.94 0.00 0.00 4.15 9.65 -1.75 -3.12 114.38 124.25 1fqa h ARG 66 Ca 0.47 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.35 1fqa h ARG 66 Cb 0.48 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1fqa h ARG 66 CO -0.23 0.28 0.00 0.74 2.80 0.00 0.00 179.97 183.56 1fqa h PHE 67 N 0.00 0.00 -0.47 2.20 -1.00 -1.24 -2.83 116.94 113.60 1fqa h PHE 67 Ca -0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1fqa h PHE 67 Cb 0.78 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.31 1fqa h PHE 67 CO 0.00 0.00 0.18 0.78 -1.61 0.00 0.00 178.31 177.66 1fqa h GLY 68 N 1.65 0.76 1.03 -1.45 0.00 -1.59 0.10 103.07 103.57 1fqa h GLY 68 Ca 0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1fqa h GLY 68 CO 0.00 0.40 0.04 -1.33 0.00 0.00 0.00 176.54 175.65 1fqa h GLY 69 N 0.62 1.04 1.01 4.60 0.00 -1.71 -1.40 103.07 107.22 1fqa h GLY 69 Ca 0.16 -0.73 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 1fqa h GLY 69 CO -0.01 0.67 0.19 -0.97 0.00 0.00 0.00 176.54 176.42 1fqa h TYR 70 N 0.85 0.96 -0.08 5.60 0.05 -1.42 -2.72 116.97 120.21 1fqa h TYR 70 Ca 0.16 -0.10 -0.08 0.00 0.05 0.00 0.00 58.73 58.76 1fqa h TYR 70 Cb 0.48 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 1fqa h TYR 70 CO 0.04 0.80 -0.34 0.00 -1.05 0.00 0.00 178.16 177.60 1fqa h ALA 71 N 1.06 1.29 -0.43 3.88 0.00 -0.61 -1.27 119.26 123.18 1fqa h ALA 71 Ca 0.19 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1fqa h ALA 71 Cb 0.28 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1fqa h ALA 71 CO -0.01 0.50 0.10 0.37 0.00 0.00 0.00 179.25 180.21 1fqa h GLN 72 N 0.14 0.63 -0.14 0.00 4.15 -0.95 -1.68 115.11 117.25 1fqa h GLN 72 Ca 0.02 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.33 1fqa h GLN 72 Cb 0.67 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1fqa h GLN 72 CO 0.05 0.58 0.00 0.43 -1.93 0.00 0.00 178.83 177.96 1fqa n SER 73 N -4.31 1.49 -1.43 -0.69 7.64 -0.93 -4.92 113.62 110.46 1fqa n SER 73 Ca 0.03 -1.67 -0.12 0.00 1.01 0.00 0.00 58.87 58.11 1fqa n SER 73 Cb 0.20 -0.09 -0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1fqa n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fqa n GLY 74 N 1.10 -0.12 0.14 0.23 0.00 -0.63 -4.92 105.19 100.99 1fqa n GLY 74 Ca 0.16 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.94 1fqa n GLY 74 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1fqa h LEU 75 N -0.09 0.00 -8.92 0.99 3.38 -1.47 -3.44 115.31 105.76 1fqa h LEU 75 Ca -0.29 -0.04 -0.67 0.00 0.09 0.00 0.00 57.88 56.97 1fqa h LEU 75 Cb 1.21 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.74 1fqa h LEU 75 CO 0.34 0.02 -0.72 -0.76 0.09 0.00 0.00 178.44 177.40 1fqa s LEU 76 N -5.32 2.98 0.38 1.67 1.43 -1.26 -0.89 118.68 117.67 1fqa s LEU 76 Ca 0.06 -0.14 -0.24 0.00 -1.03 0.00 0.00 54.13 52.77 1fqa s LEU 76 Cb 0.09 -1.65 -0.09 0.00 0.03 0.00 0.00 46.19 44.56 1fqa s LEU 76 CO 0.69 0.29 1.02 0.00 0.23 0.00 0.00 176.35 178.58 1fqa s ALA 77 N -0.37 3.11 0.06 4.21 0.00 0.37 -4.67 121.76 124.47 1fqa s ALA 77 Ca 0.05 0.64 -0.31 0.00 0.00 0.00 0.00 51.96 52.35 1fqa s ALA 77 Cb -0.12 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 1fqa s ALA 77 CO 0.02 -0.11 1.22 -2.00 0.00 0.00 0.00 175.76 174.89 1fqa s GLU 78 N -2.44 4.42 0.49 0.00 2.12 -1.26 -4.64 118.70 117.39 1fqa s GLU 78 Ca 0.56 1.79 -0.07 0.00 0.36 0.00 0.00 54.97 57.62 1fqa s GLU 78 Cb -0.20 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 1fqa s GLU 78 CO 0.26 -0.28 0.82 0.96 -0.54 0.00 0.00 175.26 176.47 1fqa s ILE 79 N 1.13 4.86 -0.34 -3.70 -4.36 -0.56 -5.01 121.20 113.21 1fqa s ILE 79 Ca 0.59 0.37 0.10 0.00 -0.26 0.00 0.00 60.65 61.46 1fqa s ILE 79 Cb -0.30 -3.84 0.45 0.00 1.25 0.00 0.00 42.46 40.02 1fqa s ILE 79 CO 0.29 -0.84 1.11 0.35 0.24 0.00 0.00 174.94 176.09 1fqa n THR 80 N -2.17 2.06 -1.97 8.37 -2.24 -1.26 -4.79 114.28 112.28 1fqa n THR 80 Ca 0.02 -4.10 -0.40 0.00 -2.27 0.00 0.00 64.05 57.29 1fqa n THR 80 Cb 0.55 -0.55 -0.01 0.00 -2.10 0.00 0.00 70.33 68.22 1fqa n THR 80 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1fqa s PRO 81 N -3.54 4.07 0.85 -0.78 0.04 -1.26 -4.99 135.00 129.39 1fqa s PRO 81 Ca 0.43 2.32 -0.13 0.00 0.04 0.00 0.00 61.00 63.66 1fqa s PRO 81 Cb 0.40 -2.89 0.12 0.00 0.04 0.00 0.00 34.50 32.17 1fqa s PRO 81 CO -0.05 -0.46 1.22 0.16 0.04 0.00 0.00 177.00 177.90 1fqa s ASP 82 N -0.48 4.09 0.27 6.66 1.47 -1.26 -4.81 116.67 122.61 1fqa s ASP 82 Ca 0.54 0.62 -0.01 0.00 1.18 0.00 0.00 52.55 54.88 1fqa s ASP 82 Cb -0.42 -0.98 0.47 0.00 -0.34 0.00 0.00 42.92 41.65 1fqa s ASP 82 CO 0.55 -2.15 1.86 0.11 0.68 0.00 0.00 175.17 176.22 1fqa h LYS 83 N -1.23 1.07 -0.67 2.11 1.79 -1.99 -1.27 116.57 116.38 1fqa h LYS 83 Ca -0.45 -0.06 0.07 0.00 -2.18 0.00 0.00 60.65 58.02 1fqa h LYS 83 Cb 1.30 -0.24 -0.06 0.00 -1.58 0.00 0.00 32.23 31.65 1fqa h LYS 83 CO 0.58 0.71 0.36 0.00 -1.08 0.00 0.00 179.45 180.01 1fqa h ALA 84 N 1.49 0.90 -0.17 3.86 0.00 -2.00 -1.04 119.26 122.30 1fqa h ALA 84 Ca 0.46 0.03 -0.18 0.00 0.00 0.00 0.00 54.91 55.21 1fqa h ALA 84 Cb 0.30 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1fqa h ALA 84 CO -0.21 0.01 -0.65 0.35 0.00 0.00 0.00 179.25 178.75 1fqa h PHE 85 N 0.64 0.81 -0.85 0.00 3.57 -1.72 -3.14 116.94 116.25 1fqa h PHE 85 Ca 0.31 -0.32 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1fqa h PHE 85 Cb 0.24 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 1fqa h PHE 85 CO -0.09 1.10 0.56 1.96 -2.23 0.00 0.00 178.31 179.61 1fqa h GLN 86 N 0.45 1.11 0.00 1.11 4.20 -0.49 -0.45 115.11 121.03 1fqa h GLN 86 Ca -0.01 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1fqa h GLN 86 Cb 1.23 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1fqa h GLN 86 CO 0.12 0.73 0.00 -0.44 -0.67 0.00 0.00 178.83 178.58 1fqa h ASP 87 N 1.14 0.00 1.31 1.46 3.32 -1.17 -2.55 116.42 119.93 1fqa h ASP 87 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1fqa h ASP 87 Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1fqa h ASP 87 CO -0.07 0.00 0.00 0.11 -1.72 0.00 0.00 179.24 177.56 1fqa h LYS 88 N 0.00 0.00 -6.38 3.56 1.57 -1.10 -3.45 116.57 110.77 1fqa h LYS 88 Ca 0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 1fqa h LYS 88 Cb 0.21 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 32.39 1fqa h LYS 88 CO 0.00 0.00 -0.69 -0.51 -0.57 0.00 0.00 179.45 177.68 1fqa s LEU 89 N -5.49 3.15 0.31 2.94 1.43 -0.96 -1.34 118.68 118.72 1fqa s LEU 89 Ca 0.05 -0.49 -0.29 0.00 -1.03 0.00 0.00 54.13 52.37 1fqa s LEU 89 Cb 0.09 -1.81 -0.11 0.00 0.03 0.00 0.00 46.19 44.39 1fqa s LEU 89 CO 0.55 0.09 1.46 -0.31 0.23 0.00 0.00 176.35 178.38 1fqa s TYR 90 N -1.73 2.84 0.21 0.29 2.02 -0.87 -4.91 117.35 115.20 1fqa s TYR 90 Ca 0.26 1.10 -0.11 0.00 -0.37 0.00 0.00 57.07 57.95 1fqa s TYR 90 Cb -0.09 -3.91 0.27 0.00 -0.40 0.00 0.00 41.96 37.83 1fqa s TYR 90 CO 0.17 -2.79 1.67 -1.35 -1.57 0.00 0.00 175.55 171.68 1fqa h PRO 91 N 4.02 0.13 -0.06 -1.71 0.11 -1.94 -2.19 132.00 130.36 1fqa h PRO 91 Ca -0.48 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.64 1fqa h PRO 91 Cb 1.23 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1fqa h PRO 91 CO 0.71 0.08 0.06 0.27 -0.21 0.00 0.00 178.00 178.91 1fqa h PHE 92 N 0.13 0.00 0.00 0.65 -0.00 -2.01 -1.32 116.94 114.39 1fqa h PHE 92 Ca 0.30 0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 58.17 1fqa h PHE 92 Cb 0.48 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.42 1fqa h PHE 92 CO -0.34 0.00 -0.51 1.79 -0.00 0.00 0.00 178.31 179.25 1fqa h THR 93 N 0.00 1.34 0.00 0.88 1.35 -1.77 -2.66 112.91 112.04 1fqa h THR 93 Ca 0.03 -1.76 -0.10 0.00 -0.55 0.00 0.00 66.41 64.02 1fqa h THR 93 Cb 0.14 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 1fqa h THR 93 CO -0.00 0.50 -0.50 -0.50 -0.25 0.00 0.00 175.52 174.77 1fqa h TRP 94 N 0.00 0.00 0.00 4.73 4.06 -1.31 -2.56 115.95 120.87 1fqa h TRP 94 Ca -0.01 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.88 1fqa h TRP 94 Cb 0.92 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.07 1fqa h TRP 94 CO 0.00 0.50 -0.32 -0.44 -3.56 0.00 0.00 178.44 174.62 1fqa h ASP 95 N 0.00 0.00 1.12 -3.49 3.32 -1.43 -2.60 116.42 113.34 1fqa h ASP 95 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1fqa h ASP 95 Cb 0.90 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.45 1fqa h ASP 95 CO 0.06 0.32 -0.09 0.00 -1.72 0.00 0.00 179.24 177.81 1fqa h ALA 96 N 1.68 1.00 -0.31 3.45 0.00 -1.37 -3.15 119.26 120.56 1fqa h ALA 96 Ca -0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1fqa h ALA 96 Cb 0.62 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1fqa h ALA 96 CO 0.04 0.11 -0.02 1.33 0.00 0.00 0.00 179.25 180.71 1fqa n VAL 97 N -3.20 2.42 -4.49 0.00 0.24 -0.98 -4.80 118.33 107.52 1fqa n VAL 97 Ca 0.01 -2.34 -0.33 0.00 -2.04 0.00 0.00 64.34 59.64 1fqa n VAL 97 Cb 0.39 -0.29 -0.13 0.00 -1.47 0.00 0.00 33.84 32.34 1fqa n VAL 97 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1fqa s ARG 98 N -3.05 3.61 -0.06 7.34 3.52 -1.19 -0.59 118.95 128.52 1fqa s ARG 98 Ca 0.43 -0.56 0.00 0.00 -0.13 0.00 0.00 55.73 55.48 1fqa s ARG 98 Cb 0.37 -2.85 0.02 0.00 -1.56 0.00 0.00 34.95 30.94 1fqa s ARG 98 CO 0.04 0.24 -0.03 -0.47 -0.81 0.00 0.00 175.30 174.26 1fqa s TYR 99 N 0.35 0.79 -1.46 5.12 5.04 0.28 -4.80 117.35 122.67 1fqa s TYR 99 Ca -0.06 -0.24 -0.11 0.00 -2.44 0.00 0.00 57.07 54.22 1fqa s TYR 99 Cb -0.15 -0.76 0.06 0.00 0.35 0.00 0.00 41.96 41.46 1fqa s TYR 99 CO 0.04 -0.26 1.04 -1.71 -1.34 0.00 0.00 175.55 173.31 1fqa n ASN 100 N 4.49 -5.15 0.00 4.32 2.85 -1.26 -1.46 115.26 119.05 1fqa n ASN 100 Ca -0.18 -0.70 0.00 0.00 -0.11 0.00 0.00 54.58 53.59 1fqa n ASN 100 Cb 0.50 -4.30 0.00 0.00 1.24 0.00 0.00 39.78 37.23 1fqa n ASN 100 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1fqa n GLY 101 N -1.79 0.61 3.34 8.20 0.00 -1.26 -5.01 105.19 109.28 1fqa n GLY 101 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1fqa n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fqa s LYS 102 N -0.33 2.15 -0.15 1.61 -0.14 -0.53 -5.09 119.74 117.25 1fqa s LYS 102 Ca 0.00 -0.91 -0.29 0.00 -1.36 0.00 0.00 55.97 53.41 1fqa s LYS 102 Cb 0.00 -2.09 -0.02 0.00 -1.68 0.00 0.00 37.83 34.04 1fqa s LYS 102 CO 0.00 0.57 1.25 -0.51 -0.76 0.00 0.00 175.35 175.90 1fqa s LEU 103 N -0.71 4.20 -0.06 3.17 1.02 -1.26 -0.55 118.68 124.48 1fqa s LEU 103 Ca 0.11 1.71 0.09 0.00 0.02 0.00 0.00 54.13 56.06 1fqa s LEU 103 Cb -0.10 -3.54 0.15 0.00 0.02 0.00 0.00 46.19 42.72 1fqa s LEU 103 CO -0.00 -0.73 1.09 2.30 0.02 0.00 0.00 176.35 179.02 1fqa n ILE 104 N 5.24 1.43 -3.60 -0.59 -6.64 0.25 -1.50 119.36 113.95 1fqa n ILE 104 Ca 0.13 -1.59 -0.03 0.00 -1.77 0.00 0.00 62.75 59.49 1fqa n ILE 104 Cb 0.45 0.15 -0.02 0.00 -1.44 0.00 0.00 39.64 38.78 1fqa n ILE 104 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1fqa s ALA 105 N -1.89 -2.10 -0.23 -1.28 0.00 -1.25 -4.48 121.76 110.53 1fqa s ALA 105 Ca 0.16 1.42 -0.10 0.00 0.00 0.00 0.00 51.96 53.45 1fqa s ALA 105 Cb 0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.19 1fqa s ALA 105 CO 0.02 -0.69 0.13 0.71 0.00 0.00 0.00 175.76 175.93 1fqa s TYR 106 N -2.42 3.27 0.32 0.00 1.51 -0.39 -4.83 117.35 114.81 1fqa s TYR 106 Ca 0.10 0.11 -0.29 0.00 -1.01 0.00 0.00 57.07 55.99 1fqa s TYR 106 Cb 0.00 -2.23 -0.10 0.00 -0.11 0.00 0.00 41.96 39.52 1fqa s TYR 106 CO -0.04 0.02 1.27 -2.14 -1.11 0.00 0.00 175.55 173.55 1fqa s PRO 107 N 1.01 4.40 0.09 -1.71 0.02 -1.26 -0.93 135.00 136.63 1fqa s PRO 107 Ca 0.06 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.23 1fqa s PRO 107 Cb -0.14 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1fqa s PRO 107 CO 0.04 -0.12 0.00 -0.89 -0.33 0.00 0.00 177.00 175.69 1fqa n ILE 108 N 0.90 0.97 -4.50 2.83 2.08 0.53 -4.79 119.36 117.38 1fqa n ILE 108 Ca -0.00 0.32 -0.24 0.00 0.56 0.00 0.00 62.75 63.39 1fqa n ILE 108 Cb 0.42 -1.53 -0.11 0.00 -0.75 0.00 0.00 39.64 37.68 1fqa n ILE 108 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1fqa s ALA 109 N -2.00 2.65 -0.05 -1.39 0.00 -1.03 -1.65 121.76 118.29 1fqa s ALA 109 Ca 0.00 -2.05 0.02 0.00 0.00 0.00 0.00 51.96 49.93 1fqa s ALA 109 Cb 0.00 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.33 1fqa s ALA 109 CO 0.00 -0.07 -0.08 0.08 0.00 0.00 0.00 175.76 175.68 1fqa s VAL 110 N -2.90 0.80 0.00 0.00 1.01 0.12 -2.32 120.40 117.12 1fqa s VAL 110 Ca 0.32 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.03 1fqa s VAL 110 Cb 0.05 -0.76 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 1fqa s VAL 110 CO 0.15 0.28 -0.07 -1.83 0.00 0.00 0.00 175.10 173.62 1fqa s GLU 111 N 0.70 0.53 0.13 2.72 -1.05 -0.43 -2.66 118.70 118.64 1fqa s GLU 111 Ca -0.12 -0.32 -0.22 0.00 -0.15 0.00 0.00 54.97 54.17 1fqa s GLU 111 Cb -0.14 -0.48 0.06 0.00 -0.44 0.00 0.00 34.13 33.13 1fqa s GLU 111 CO 0.02 0.13 0.55 0.00 0.95 0.00 0.00 175.26 176.90 1fqa s ALA 112 N -0.35 -1.41 0.60 -0.84 0.00 -1.26 -1.42 121.76 117.07 1fqa s ALA 112 Ca 0.01 0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.20 1fqa s ALA 112 Cb -0.04 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.81 1fqa s ALA 112 CO -0.00 -0.70 1.07 -0.51 0.00 0.00 0.00 175.76 175.62 1fqa s LEU 113 N -2.63 3.52 0.20 0.00 1.43 -1.26 -4.49 118.68 115.45 1fqa s LEU 113 Ca 0.00 1.89 -0.02 0.00 -1.03 0.00 0.00 54.13 54.98 1fqa s LEU 113 Cb -0.00 -4.54 -0.04 0.00 0.03 0.00 0.00 46.19 41.64 1fqa s LEU 113 CO -0.11 -1.24 0.14 -0.44 0.23 0.00 0.00 176.35 174.93 1fqa s SER 114 N -2.62 0.15 -0.27 2.29 0.01 -0.74 -4.79 113.70 107.73 1fqa s SER 114 Ca 0.65 -1.36 -0.19 0.00 1.31 0.00 0.00 55.95 56.36 1fqa s SER 114 Cb -0.17 0.38 -0.02 0.00 0.21 0.00 0.00 66.02 66.42 1fqa s SER 114 CO 0.36 -0.85 0.57 -0.22 0.41 0.00 0.00 173.24 173.52 1fqa s LEU 115 N -3.15 4.08 -0.18 2.44 1.98 -0.67 -2.72 118.68 120.46 1fqa s LEU 115 Ca 0.37 0.56 -0.08 0.00 -2.89 0.00 0.00 54.13 52.09 1fqa s LEU 115 Cb 0.07 -2.75 -0.04 0.00 0.66 0.00 0.00 46.19 44.13 1fqa s LEU 115 CO 0.11 -0.35 0.08 -0.63 -1.89 0.00 0.00 176.35 173.67 1fqa s ILE 116 N 2.43 4.92 0.07 6.68 1.01 -0.20 -0.74 121.20 135.37 1fqa s ILE 116 Ca 0.23 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.92 1fqa s ILE 116 Cb -0.15 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 1fqa s ILE 116 CO 0.09 0.47 -0.08 -0.72 0.00 0.00 0.00 174.94 174.71 1fqa s TYR 117 N 0.22 0.83 -0.36 3.97 1.13 -0.54 -1.14 117.35 121.46 1fqa s TYR 117 Ca 0.05 -0.71 -0.23 0.00 -1.41 0.00 0.00 57.07 54.78 1fqa s TYR 117 Cb -0.12 -0.48 0.01 0.00 -1.10 0.00 0.00 41.96 40.27 1fqa s TYR 117 CO 0.00 -0.10 0.76 1.21 -2.51 0.00 0.00 175.55 174.91 1fqa s ASN 118 N -2.35 6.55 0.49 -0.18 3.84 0.16 -0.95 114.94 122.49 1fqa s ASN 118 Ca 0.02 0.36 0.23 0.00 0.21 0.00 0.00 52.86 53.68 1fqa s ASN 118 Cb -0.02 -2.39 1.28 0.00 -0.55 0.00 0.00 41.25 39.58 1fqa s ASN 118 CO -0.02 -0.70 2.03 0.11 -2.79 0.00 0.00 177.10 175.73 1fqa h LYS 119 N 8.43 0.00 0.06 0.43 1.57 -1.04 0.31 116.57 126.33 1fqa h LYS 119 Ca -0.25 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.29 1fqa h LYS 119 Cb 1.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 1fqa h LYS 119 CO 0.90 0.16 -1.06 -0.44 -0.57 0.00 0.00 179.45 178.43 1fqa h ASP 120 N 0.00 0.39 0.29 0.86 3.32 -1.93 -2.83 116.42 116.51 1fqa h ASP 120 Ca -0.00 -0.36 -0.33 0.00 0.02 0.00 0.00 57.03 56.35 1fqa h ASP 120 Cb 0.37 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1fqa h ASP 120 CO 0.02 1.22 -1.82 -0.07 -1.72 0.00 0.00 179.24 176.87 1fqa h LEU 121 N 0.12 0.32 -6.27 1.55 3.38 -1.87 -3.43 115.31 109.12 1fqa h LEU 121 Ca -0.09 -0.64 -0.58 0.00 0.09 0.00 0.00 57.88 56.66 1fqa h LEU 121 Cb 1.74 -0.10 -0.39 0.00 0.09 0.00 0.00 40.66 42.00 1fqa h LEU 121 CO 0.17 1.56 -1.00 -0.11 0.09 0.00 0.00 178.44 179.15 1fqa n LEU 122 N -3.37 -0.07 0.27 1.67 7.94 0.11 -4.96 117.00 118.58 1fqa n LEU 122 Ca -0.25 -4.52 0.18 0.00 -1.11 0.00 0.00 56.01 50.31 1fqa n LEU 122 Cb 1.05 0.51 0.88 0.00 0.53 0.00 0.00 43.42 46.38 1fqa n LEU 122 CO 0.46 1.93 1.03 1.55 -1.11 0.00 0.00 177.39 181.25 1fqa h PRO 123 N 5.08 0.00 -2.77 1.96 0.13 -1.65 -3.30 132.00 131.45 1fqa h PRO 123 Ca 0.20 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.72 1fqa h PRO 123 Cb 0.89 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.62 1fqa h PRO 123 CO 0.42 0.00 -0.73 0.09 -0.23 0.00 0.00 178.00 177.55 1fqa n ASN 124 N -2.85 1.67 -4.70 1.44 3.02 -1.26 -5.01 115.26 107.57 1fqa n ASN 124 Ca -0.01 -2.89 -0.36 0.00 -0.03 0.00 0.00 54.58 51.28 1fqa n ASN 124 Cb 0.15 -0.68 0.08 0.00 -0.61 0.00 0.00 39.78 38.73 1fqa n ASN 124 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1fqa n PRO 125 N 2.25 0.85 -2.15 3.52 -0.04 -1.24 -4.96 135.00 133.22 1fqa n PRO 125 Ca 0.24 0.35 -0.40 0.00 -0.04 0.00 0.00 63.50 63.65 1fqa n PRO 125 Cb 0.40 -2.45 -0.02 0.00 -0.04 0.00 0.00 33.50 31.39 1fqa n PRO 125 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1fqa s PRO 126 N -3.47 4.24 0.01 0.54 0.04 -1.26 -4.94 135.00 130.16 1fqa s PRO 126 Ca 0.80 2.11 0.25 0.00 0.04 0.00 0.00 61.00 64.19 1fqa s PRO 126 Cb -0.36 -2.94 0.46 0.00 0.04 0.00 0.00 34.50 31.69 1fqa s PRO 126 CO 0.44 -0.25 1.38 0.36 0.04 0.00 0.00 177.00 178.97 1fqa n LYS 127 N 0.55 0.04 -4.18 4.56 2.85 -1.26 -4.62 118.16 116.10 1fqa n LYS 127 Ca 0.01 0.01 -0.17 0.00 -1.05 0.00 0.00 58.31 57.12 1fqa n LYS 127 Cb 0.43 -1.52 -0.11 0.00 -0.65 0.00 0.00 35.03 33.18 1fqa n LYS 127 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1fqa s THR 128 N -3.02 1.07 0.27 0.58 -4.23 -1.26 -0.29 115.64 108.76 1fqa s THR 128 Ca 0.10 -1.49 0.06 0.00 -1.18 0.00 0.00 61.69 59.18 1fqa s THR 128 Cb 0.17 -1.23 0.01 0.00 1.34 0.00 0.00 72.50 72.79 1fqa s THR 128 CO 0.71 -0.39 1.65 -0.50 -0.54 0.00 0.00 174.62 175.56 1fqa h TRP 129 N 3.90 0.30 -0.03 3.99 4.06 -0.93 -3.05 115.95 124.19 1fqa h TRP 129 Ca -0.39 -0.09 0.01 0.00 2.06 0.00 0.00 58.89 60.48 1fqa h TRP 129 Cb 1.19 -0.06 -0.00 0.00 -1.00 0.00 0.00 29.16 29.29 1fqa h TRP 129 CO 0.64 0.68 0.05 0.93 -3.56 0.00 0.00 178.44 177.17 1fqa h GLU 130 N 0.20 0.00 0.00 0.49 3.07 -1.96 -1.62 114.58 114.75 1fqa h GLU 130 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1fqa h GLU 130 Cb 0.91 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 1fqa h GLU 130 CO 0.07 0.00 -0.13 0.93 -1.40 0.00 0.00 179.01 178.48 1fqa h GLU 131 N 0.00 0.00 -0.66 2.33 5.08 -1.92 -3.38 114.58 116.03 1fqa h GLU 131 Ca 0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1fqa h GLU 131 Cb 0.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1fqa h GLU 131 CO -0.00 0.00 0.40 0.82 -1.00 0.00 0.00 179.01 179.23 1fqa h ILE 132 N 0.00 1.19 -0.74 3.13 2.04 -1.43 -2.73 117.51 118.97 1fqa h ILE 132 Ca 0.00 -0.42 0.09 0.00 1.00 0.00 0.00 64.86 65.53 1fqa h ILE 132 Cb 0.86 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 1fqa h ILE 132 CO 0.00 0.20 0.39 -0.65 0.00 0.00 0.00 178.15 178.09 1fqa h PRO 133 N 0.89 0.65 -0.30 2.37 0.11 -1.76 -0.00 132.00 133.96 1fqa h PRO 133 Ca 0.24 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.20 1fqa h PRO 133 Cb -0.03 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.92 1fqa h PRO 133 CO -0.04 0.43 -0.28 0.00 -0.21 0.00 0.00 178.00 177.90 1fqa h ALA 134 N 1.42 0.95 -0.56 -0.75 0.00 -1.81 -2.54 119.26 115.97 1fqa h ALA 134 Ca 0.35 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1fqa h ALA 134 Cb 0.33 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1fqa h ALA 134 CO -0.25 0.61 -0.08 -0.07 0.00 0.00 0.00 179.25 179.46 1fqa h LEU 135 N 0.53 1.03 -0.72 0.00 4.07 -1.07 -2.69 115.31 116.47 1fqa h LEU 135 Ca 0.07 -0.34 -0.00 0.00 0.08 0.00 0.00 57.88 57.69 1fqa h LEU 135 Cb 0.75 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 42.17 1fqa h LEU 135 CO 0.06 1.13 0.44 -0.78 -1.08 0.00 0.00 178.44 178.21 1fqa h ASP 136 N 0.92 0.86 -0.80 -0.43 3.58 -0.83 -0.12 116.42 119.60 1fqa h ASP 136 Ca 0.15 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1fqa h ASP 136 Cb 0.65 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.44 1fqa h ASP 136 CO 0.04 0.67 0.45 0.11 -2.88 0.00 0.00 179.24 177.63 1fqa h LYS 137 N 0.99 1.10 -0.29 0.28 1.57 -1.30 0.11 116.57 119.03 1fqa h LYS 137 Ca 0.26 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 1fqa h LYS 137 Cb -0.04 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1fqa h LYS 137 CO -0.05 0.81 -0.19 0.93 -0.57 0.00 0.00 179.45 180.37 1fqa h GLU 138 N 1.10 0.64 -0.32 3.15 5.08 -1.11 -3.05 114.58 120.07 1fqa h GLU 138 Ca 0.28 -0.30 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1fqa h GLU 138 Cb 0.01 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1fqa h GLU 138 CO -0.05 0.90 -0.35 -0.07 -1.00 0.00 0.00 179.01 178.44 1fqa h LEU 139 N 0.38 0.75 -2.27 1.33 3.38 -0.82 -2.77 115.31 115.30 1fqa h LEU 139 Ca 0.06 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1fqa h LEU 139 Cb 0.74 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1fqa h LEU 139 CO 0.05 1.04 -0.05 0.11 0.09 0.00 0.00 178.44 179.68 1fqa h LYS 140 N 0.60 0.00 -0.01 1.13 1.79 0.98 -0.64 116.57 120.42 1fqa h LYS 140 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1fqa h LYS 140 Cb 0.88 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 1fqa h LYS 140 CO 0.08 0.05 0.02 0.00 -1.08 0.00 0.00 179.45 178.51 1fqa h ALA 141 N 1.95 1.35 -0.06 3.86 0.00 -1.37 -1.26 119.26 123.72 1fqa h ALA 141 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1fqa h ALA 141 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1fqa h ALA 141 CO 0.01 -0.02 -0.20 0.36 0.00 0.00 0.00 179.25 179.40 1fqa n LYS 142 N -3.56 1.61 -1.10 0.00 2.85 -0.32 -4.97 118.16 112.66 1fqa n LYS 142 Ca -0.03 -2.95 -0.04 0.00 -1.05 0.00 0.00 58.31 54.25 1fqa n LYS 142 Cb 0.09 -1.61 -0.02 0.00 -0.65 0.00 0.00 35.03 32.85 1fqa n LYS 142 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1fqa n GLY 143 N -1.20 0.66 3.44 2.58 0.00 -0.47 -5.04 105.19 105.15 1fqa n GLY 143 Ca 0.20 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.20 1fqa n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fqa s LYS 144 N -2.05 1.57 0.23 1.61 -0.14 -0.78 -4.96 119.74 115.22 1fqa s LYS 144 Ca 0.00 -1.36 0.06 0.00 -1.36 0.00 0.00 55.97 53.31 1fqa s LYS 144 Cb 0.00 -1.95 -0.04 0.00 -1.68 0.00 0.00 37.83 34.16 1fqa s LYS 144 CO 0.00 0.44 0.22 -1.54 -0.76 0.00 0.00 175.35 173.71 1fqa s SER 145 N -2.33 5.71 -0.06 2.83 1.04 -0.79 -1.00 113.70 119.10 1fqa s SER 145 Ca 0.18 -0.14 -0.23 0.00 0.48 0.00 0.00 55.95 56.23 1fqa s SER 145 Cb -0.09 -1.52 -0.29 0.00 0.10 0.00 0.00 66.02 64.21 1fqa s SER 145 CO 0.09 -0.02 0.91 0.00 0.98 0.00 0.00 173.24 175.20 1fqa h ALA 146 N 1.65 -0.05 -3.15 5.32 0.00 -1.86 0.17 119.26 121.34 1fqa h ALA 146 Ca -0.49 -0.63 -0.18 0.00 0.00 0.00 0.00 54.91 53.61 1fqa h ALA 146 Cb 1.23 0.07 -0.27 0.00 0.00 0.00 0.00 17.79 18.81 1fqa h ALA 146 CO 0.62 0.29 -0.48 -1.17 0.00 0.00 0.00 179.25 178.51 1fqa s LEU 147 N -8.04 0.90 -0.06 0.00 2.96 -1.26 -1.04 118.68 112.14 1fqa s LEU 147 Ca -0.15 0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 54.20 1fqa s LEU 147 Cb 0.00 0.73 0.04 0.00 0.50 0.00 0.00 46.19 47.46 1fqa s LEU 147 CO 0.80 -0.11 0.10 -0.04 -1.32 0.00 0.00 176.35 175.79 1fqa s MET 148 N 0.53 -0.01 0.13 1.98 -1.94 -0.54 -4.82 119.30 114.62 1fqa s MET 148 Ca -0.03 0.43 -0.13 0.00 -1.71 0.00 0.00 55.69 54.24 1fqa s MET 148 Cb -0.05 -0.35 0.02 0.00 2.01 0.00 0.00 34.83 36.46 1fqa s MET 148 CO -0.03 -0.29 0.34 -0.59 -0.01 0.00 0.00 175.02 174.45 1fqa s PHE 149 N 1.99 -0.02 -0.26 -0.03 -0.71 -1.26 -4.15 117.98 113.53 1fqa s PHE 149 Ca 0.01 -0.34 -0.30 0.00 -1.04 0.00 0.00 56.93 55.27 1fqa s PHE 149 Cb -0.12 0.15 -0.07 0.00 -1.21 0.00 0.00 43.02 41.77 1fqa s PHE 149 CO -0.04 -0.69 2.22 -1.71 -1.34 0.00 0.00 175.22 173.66 1fqa n ASN 150 N -0.19 2.93 -1.09 1.98 5.15 -1.26 -4.58 115.26 118.20 1fqa n ASN 150 Ca -0.14 0.24 0.11 0.00 -0.60 0.00 0.00 54.58 54.20 1fqa n ASN 150 Cb 0.63 -1.48 0.25 0.00 -0.53 0.00 0.00 39.78 38.66 1fqa n ASN 150 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1fqa n LEU 151 N 11.28 3.25 0.07 1.20 4.77 -0.72 -4.34 117.00 132.50 1fqa n LEU 151 Ca 0.33 -1.44 0.07 0.00 -0.03 0.00 0.00 56.01 54.94 1fqa n LEU 151 Cb 0.39 -0.27 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1fqa n LEU 151 CO 0.69 0.72 -0.16 0.00 -1.33 0.00 0.00 177.39 177.30 1fqa n GLN 152 N 1.33 0.62 -4.49 3.23 1.13 -1.26 -4.77 117.38 113.17 1fqa n GLN 152 Ca 0.19 0.14 -0.34 0.00 -1.94 0.00 0.00 57.00 55.06 1fqa n GLN 152 Cb 0.56 -1.80 -0.13 0.00 0.11 0.00 0.00 30.24 28.98 1fqa n GLN 152 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1fqa s GLU 153 N -3.20 3.49 0.60 -1.09 0.41 -1.26 -4.97 118.70 112.68 1fqa s GLU 153 Ca -0.02 -0.61 0.29 0.00 -0.41 0.00 0.00 54.97 54.22 1fqa s GLU 153 Cb 0.09 -2.80 1.63 0.00 -1.78 0.00 0.00 34.13 31.28 1fqa s GLU 153 CO 0.81 0.15 2.05 -1.00 -0.49 0.00 0.00 175.26 176.78 1fqa h PRO 154 N 6.95 0.00 -0.79 0.39 0.13 -1.89 -1.04 132.00 135.75 1fqa h PRO 154 Ca -0.30 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.89 1fqa h PRO 154 Cb 1.20 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 1fqa h PRO 154 CO 0.59 0.00 0.52 -0.92 -0.23 0.00 0.00 178.00 177.96 1fqa h TYR 155 N 0.00 0.87 0.00 1.56 3.20 -1.95 -0.35 116.97 120.30 1fqa h TYR 155 Ca 0.11 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.79 1fqa h TYR 155 Cb 0.64 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 1fqa h TYR 155 CO 0.00 0.46 -1.16 0.74 -1.64 0.00 0.00 178.16 176.56 1fqa h PHE 156 N 0.86 0.00 0.00 -3.82 -1.00 -1.45 -3.37 116.94 108.17 1fqa h PHE 156 Ca 0.34 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.12 1fqa h PHE 156 Cb 0.23 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.79 1fqa h PHE 156 CO -0.00 0.88 -1.21 0.25 -1.61 0.00 0.00 178.31 176.61 1fqa n THR 157 N -3.20 0.43 -0.03 -1.55 -2.24 -1.08 -4.41 114.28 102.21 1fqa n THR 157 Ca -0.05 -0.50 0.03 0.00 -2.27 0.00 0.00 64.05 61.26 1fqa n THR 157 Cb 0.93 -0.20 0.38 0.00 -2.10 0.00 0.00 70.33 69.34 1fqa n THR 157 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 1fqa h TRP 158 N 0.00 0.57 -0.94 4.78 2.91 -1.22 -2.79 115.95 119.26 1fqa h TRP 158 Ca 0.00 0.00 0.15 0.00 1.13 0.00 0.00 58.89 60.18 1fqa h TRP 158 Cb 0.96 -0.19 -0.08 0.00 -0.51 0.00 0.00 29.16 29.35 1fqa h TRP 158 CO 0.00 0.39 0.60 -1.35 -1.03 0.00 0.00 178.44 177.05 1fqa h PRO 159 N 0.60 0.72 -0.01 2.65 0.11 -1.77 0.30 132.00 134.60 1fqa h PRO 159 Ca 0.16 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.22 1fqa h PRO 159 Cb -0.01 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 30.94 1fqa h PRO 159 CO -0.03 0.47 -0.03 1.25 -0.21 0.00 0.00 178.00 179.45 1fqa h LEU 160 N 0.74 0.05 -1.64 2.35 6.46 -1.80 -2.14 115.31 119.32 1fqa h LEU 160 Ca 0.48 -0.61 -0.01 0.00 -0.12 0.00 0.00 57.88 57.62 1fqa h LEU 160 Cb 0.75 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 1fqa h LEU 160 CO -0.25 0.65 0.07 0.40 -0.62 0.00 0.00 178.44 178.69 1fqa h ILE 161 N -0.55 1.10 0.00 4.05 2.04 -1.23 -2.54 117.51 120.38 1fqa h ILE 161 Ca -0.00 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1fqa h ILE 161 Cb 0.64 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1fqa h ILE 161 CO 0.01 0.12 -0.43 0.00 0.00 0.00 0.00 178.15 177.85 1fqa h ALA 162 N 1.78 0.80 -0.58 1.87 0.00 -0.47 -3.07 119.26 119.59 1fqa h ALA 162 Ca 0.08 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1fqa h ALA 162 Cb 0.09 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.77 1fqa h ALA 162 CO -0.01 0.14 -0.27 0.00 0.00 0.00 0.00 179.25 179.12 1fqa h ALA 163 N 1.90 0.11 -0.45 0.00 0.00 -0.99 -2.00 119.26 117.82 1fqa h ALA 163 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1fqa h ALA 163 Cb 1.09 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.54 1fqa h ALA 163 CO 0.01 -0.59 0.00 -3.47 0.00 0.00 0.00 179.25 175.20 1fqa n ASP 164 N -5.44 2.51 0.00 0.00 2.03 -1.26 -4.65 116.55 109.74 1fqa n ASP 164 Ca 0.05 -1.98 0.00 0.00 0.52 0.00 0.00 54.79 53.38 1fqa n ASP 164 Cb 0.35 -0.30 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 1fqa n ASP 164 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fqa n GLY 165 N 1.26 0.46 3.77 0.27 0.00 -0.76 -4.16 105.19 106.04 1fqa n GLY 165 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1fqa n GLY 165 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fqa s GLY 166 N 0.00 2.75 0.08 -0.02 0.00 -1.16 -4.62 107.32 104.35 1fqa s GLY 166 Ca 0.00 0.88 -0.24 0.00 0.00 0.00 0.00 44.72 45.35 1fqa s GLY 166 CO 0.00 1.31 0.58 -2.52 0.00 0.00 0.00 173.10 172.48 1fqa s TYR 167 N -1.60 -0.51 0.00 1.90 -0.85 -0.11 -4.36 117.35 111.82 1fqa s TYR 167 Ca 0.63 0.53 0.00 0.00 -0.52 0.00 0.00 57.07 57.71 1fqa s TYR 167 Cb -0.27 0.44 0.00 0.00 0.38 0.00 0.00 41.96 42.52 1fqa s TYR 167 CO 0.32 -0.73 0.05 0.00 -1.52 0.00 0.00 175.55 173.68 1fqa n ALA 168 N 0.15 -0.02 -3.14 9.51 0.00 -1.26 -0.58 120.51 125.16 1fqa n ALA 168 Ca -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.06 1fqa n ALA 168 Cb 0.62 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.91 1fqa n ALA 168 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1fqa s PHE 169 N -1.05 0.95 0.14 0.00 0.08 -1.26 -3.15 117.98 113.69 1fqa s PHE 169 Ca 0.00 -0.25 -0.31 0.00 0.12 0.00 0.00 56.93 56.49 1fqa s PHE 169 Cb 0.00 -0.70 -0.09 0.00 -0.57 0.00 0.00 43.02 41.66 1fqa s PHE 169 CO 0.00 -0.12 1.51 0.21 -0.10 0.00 0.00 175.22 176.72 1fqa s LYS 170 N 0.32 4.25 -0.43 0.44 2.47 -0.80 -4.82 119.74 121.17 1fqa s LYS 170 Ca -0.05 2.26 -0.07 0.00 -1.56 0.00 0.00 55.97 56.55 1fqa s LYS 170 Cb -0.10 -3.21 0.10 0.00 -1.46 0.00 0.00 37.83 33.16 1fqa s LYS 170 CO 0.01 -0.55 0.26 -0.47 0.16 0.00 0.00 175.35 174.75 1fqa s TYR 171 N 1.20 3.43 0.37 4.03 5.04 -1.26 -0.92 117.35 129.24 1fqa s TYR 171 Ca 0.68 -1.91 0.03 0.00 -2.44 0.00 0.00 57.07 53.44 1fqa s TYR 171 Cb -0.41 -3.17 0.07 0.00 0.35 0.00 0.00 41.96 38.80 1fqa s TYR 171 CO 0.31 -0.93 0.51 0.39 -1.34 0.00 0.00 175.55 174.48 1fqa n GLU 172 N 4.81 0.54 -1.51 4.97 4.71 -0.58 -4.95 120.64 128.63 1fqa n GLU 172 Ca -0.07 -1.70 -0.40 0.00 -0.01 0.00 0.00 57.16 54.98 1fqa n GLU 172 Cb 0.42 -0.24 -0.08 0.00 -1.01 0.00 0.00 31.44 30.53 1fqa n GLU 172 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1fqa n ASN 173 N -2.75 1.56 0.00 1.62 6.94 -1.26 -2.65 115.26 118.72 1fqa n ASN 173 Ca 0.09 -0.11 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 1fqa n ASN 173 Cb 0.34 -1.29 0.00 0.00 -2.36 0.00 0.00 39.78 36.47 1fqa n ASN 173 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1fqa n GLY 174 N 6.27 2.25 0.00 4.83 0.00 -1.26 -5.06 105.19 112.23 1fqa n GLY 174 Ca 0.48 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1fqa n GLY 174 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1fqa n LYS 175 N 0.00 0.00 -3.15 1.61 4.76 -1.08 -4.59 118.16 115.71 1fqa n LYS 175 Ca 0.00 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.05 1fqa n LYS 175 Cb 0.00 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.13 1fqa n LYS 175 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1fqa s TYR 176 N -5.14 3.72 -0.57 2.13 2.02 -1.26 -1.52 117.35 116.74 1fqa s TYR 176 Ca 0.00 1.30 -0.19 0.00 -0.37 0.00 0.00 57.07 57.81 1fqa s TYR 176 Cb 0.00 -2.66 0.09 0.00 -0.40 0.00 0.00 41.96 38.99 1fqa s TYR 176 CO 0.00 0.37 0.68 0.34 -1.57 0.00 0.00 175.55 175.37 1fqa s ASP 177 N -0.31 6.19 0.00 2.29 -1.08 -0.10 -4.90 116.67 118.76 1fqa s ASP 177 Ca 0.33 -1.26 0.06 0.00 -0.52 0.00 0.00 52.55 51.16 1fqa s ASP 177 Cb -0.19 -2.30 0.30 0.00 -1.46 0.00 0.00 42.92 39.27 1fqa s ASP 177 CO 0.19 -1.05 1.01 2.30 0.52 0.00 0.00 175.17 178.14 1fqa n ILE 178 N 5.57 0.82 0.60 4.11 -5.35 -1.26 -1.37 119.36 122.49 1fqa n ILE 178 Ca -0.08 0.20 0.11 0.00 -0.27 0.00 0.00 62.75 62.71 1fqa n ILE 178 Cb 0.43 -1.11 -0.06 0.00 -1.74 0.00 0.00 39.64 37.16 1fqa n ILE 178 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1fqa n LYS 179 N -1.25 0.26 -3.68 6.28 5.02 -1.26 -4.71 118.16 118.82 1fqa n LYS 179 Ca 0.03 -0.04 -0.38 0.00 -2.02 0.00 0.00 58.31 55.90 1fqa n LYS 179 Cb 0.04 -1.54 -0.09 0.00 -0.02 0.00 0.00 35.03 33.42 1fqa n LYS 179 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1fqa s ASP 180 N -3.71 5.41 -0.09 4.39 -1.08 -0.47 -5.06 116.67 116.06 1fqa s ASP 180 Ca 0.03 -2.78 -0.00 0.00 -0.52 0.00 0.00 52.55 49.27 1fqa s ASP 180 Cb 0.15 -1.89 -0.03 0.00 -1.46 0.00 0.00 42.92 39.69 1fqa s ASP 180 CO 0.84 -0.40 -0.07 -0.69 0.52 0.00 0.00 175.17 175.37 1fqa s VAL 181 N 0.04 3.70 -0.66 1.11 1.01 -1.26 -1.91 120.40 122.42 1fqa s VAL 181 Ca 0.16 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1fqa s VAL 181 Cb -0.19 -2.54 0.37 0.00 0.00 0.00 0.00 36.38 34.01 1fqa s VAL 181 CO -0.04 0.57 1.40 0.61 0.00 0.00 0.00 175.10 177.64 1fqa n GLY 182 N 2.63 5.82 0.11 4.51 0.00 0.25 -4.64 105.19 113.87 1fqa n GLY 182 Ca -0.18 -2.68 -0.12 0.00 0.00 0.00 0.00 46.02 43.05 1fqa n GLY 182 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1fqa n VAL 183 N -0.37 1.43 -2.84 1.61 0.24 -1.23 -0.93 118.33 116.24 1fqa n VAL 183 Ca 0.42 -0.80 -0.36 0.00 -2.04 0.00 0.00 64.34 61.56 1fqa n VAL 183 Cb 0.43 -0.69 -0.01 0.00 -1.47 0.00 0.00 33.84 32.10 1fqa n VAL 183 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1fqa n ASP 184 N -2.87 6.17 -4.25 -1.34 2.03 -1.26 -4.62 116.55 110.42 1fqa n ASP 184 Ca -0.35 -3.63 -0.21 0.00 0.52 0.00 0.00 54.79 51.12 1fqa n ASP 184 Cb 1.12 -0.98 -0.10 0.00 -0.72 0.00 0.00 41.12 40.44 1fqa n ASP 184 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1fqa s ASN 185 N -2.08 2.13 0.22 1.67 2.20 -1.26 -4.99 114.94 112.83 1fqa s ASN 185 Ca 0.41 -1.50 -0.07 0.00 -0.94 0.00 0.00 52.86 50.75 1fqa s ASN 185 Cb 0.19 0.22 0.33 0.00 -2.00 0.00 0.00 41.25 39.99 1fqa s ASN 185 CO -0.09 -0.78 1.78 0.00 -2.94 0.00 0.00 177.10 175.07 1fqa h ALA 186 N 2.08 0.95 0.13 3.54 0.00 -1.94 -1.50 119.26 122.53 1fqa h ALA 186 Ca -0.37 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1fqa h ALA 186 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1fqa h ALA 186 CO 0.61 -0.06 -0.06 0.78 0.00 0.00 0.00 179.25 180.51 1fqa h GLY 187 N 0.58 -0.19 1.34 0.00 0.00 -1.85 -0.72 103.07 102.24 1fqa h GLY 187 Ca 0.34 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.71 1fqa h GLY 187 CO -0.27 -0.07 0.21 0.00 0.00 0.00 0.00 176.54 176.41 1fqa h ALA 188 N 0.60 1.29 -0.40 3.60 0.00 -1.60 -1.29 119.26 121.45 1fqa h ALA 188 Ca -0.02 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1fqa h ALA 188 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1fqa h ALA 188 CO 0.03 0.52 0.25 -0.22 0.00 0.00 0.00 179.25 179.83 1fqa h LYS 189 N 0.83 0.55 -0.55 0.00 1.63 -1.07 0.15 116.57 118.11 1fqa h LYS 189 Ca 0.19 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.86 1fqa h LYS 189 Cb 0.19 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 1fqa h LYS 189 CO -0.01 0.40 0.00 0.00 -3.45 0.00 0.00 179.45 176.39 1fqa h ALA 190 N 1.11 0.74 0.03 5.00 0.00 -0.67 -1.83 119.26 123.65 1fqa h ALA 190 Ca 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1fqa h ALA 190 Cb -0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1fqa h ALA 190 CO -0.03 0.56 -0.01 0.78 0.00 0.00 0.00 179.25 180.55 1fqa h GLY 191 N 0.85 -0.04 1.41 0.00 0.00 -0.97 -1.93 103.07 102.39 1fqa h GLY 191 Ca 0.16 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.46 1fqa h GLY 191 CO 0.03 -0.01 0.15 -2.00 0.00 0.00 0.00 176.54 174.70 1fqa h LEU 192 N -0.30 0.69 -0.76 3.11 5.85 -0.99 -1.96 115.31 120.95 1fqa h LEU 192 Ca -0.00 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1fqa h LEU 192 Cb 0.28 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1fqa h LEU 192 CO 0.01 0.67 0.29 0.74 -0.34 0.00 0.00 178.44 179.81 1fqa h THR 193 N 0.74 1.26 -0.57 1.05 2.02 -1.23 0.84 112.91 117.02 1fqa h THR 193 Ca 0.17 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 1fqa h THR 193 Cb 0.23 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1fqa h THR 193 CO -0.01 0.33 0.29 0.15 0.37 0.00 0.00 175.52 176.66 1fqa h PHE 194 N 1.10 0.80 -0.19 3.16 3.57 -0.75 0.98 116.94 125.61 1fqa h PHE 194 Ca 0.25 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 1fqa h PHE 194 Cb 0.23 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1fqa h PHE 194 CO 0.02 0.60 0.12 1.25 -2.23 0.00 0.00 178.31 178.07 1fqa h LEU 195 N 0.77 0.23 -1.05 0.59 5.85 -0.84 -1.58 115.31 119.28 1fqa h LEU 195 Ca 0.20 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1fqa h LEU 195 Cb 0.08 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1fqa h LEU 195 CO -0.03 0.20 0.15 0.58 -0.34 0.00 0.00 178.44 179.00 1fqa h VAL 196 N 0.24 1.22 -0.16 1.05 2.07 -0.56 -2.36 116.25 117.74 1fqa h VAL 196 Ca 0.07 -0.78 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 1fqa h VAL 196 Cb 0.01 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1fqa h VAL 196 CO -0.01 0.29 -0.25 0.44 0.02 0.00 0.00 177.57 178.06 1fqa h ASP 197 N 0.80 0.29 -0.77 0.57 3.32 -0.45 -0.74 116.42 119.45 1fqa h ASP 197 Ca 0.18 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1fqa h ASP 197 Cb 0.27 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 1fqa h ASP 197 CO -0.00 0.55 0.42 -0.07 -1.72 0.00 0.00 179.24 178.42 1fqa h LEU 198 N 0.27 0.97 0.06 1.55 3.38 -0.76 -0.20 115.31 120.59 1fqa h LEU 198 Ca 0.04 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1fqa h LEU 198 Cb 0.60 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1fqa h LEU 198 CO 0.04 0.78 -0.03 0.40 0.09 0.00 0.00 178.44 179.72 1fqa h ILE 199 N 1.09 1.22 0.00 1.22 1.08 -1.24 0.32 117.51 121.19 1fqa h ILE 199 Ca 0.27 -1.06 -0.02 0.00 -0.39 0.00 0.00 64.86 63.67 1fqa h ILE 199 Cb 0.03 1.90 -0.00 0.00 -3.07 0.00 0.00 36.82 35.68 1fqa h ILE 199 CO -0.04 0.26 -0.09 0.07 -0.69 0.00 0.00 178.15 177.65 1fqa h LYS 200 N -0.57 0.00 -0.44 2.37 2.10 -0.99 -0.47 116.57 118.57 1fqa h LYS 200 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1fqa h LYS 200 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1fqa h LYS 200 CO 0.01 0.09 0.00 0.09 -2.00 0.00 0.00 179.45 177.65 1fqa n ASN 201 N -4.11 2.34 -1.11 7.07 5.03 -0.10 -4.93 115.26 119.45 1fqa n ASN 201 Ca -0.03 -2.01 -0.14 0.00 0.87 0.00 0.00 54.58 53.27 1fqa n ASN 201 Cb 0.18 -0.29 -0.06 0.00 -1.02 0.00 0.00 39.78 38.58 1fqa n ASN 201 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1fqa n LYS 202 N 0.76 -1.00 0.11 3.52 4.01 -0.18 -4.88 118.16 120.50 1fqa n LYS 202 Ca 0.15 1.00 0.12 0.00 -0.51 0.00 0.00 58.31 59.06 1fqa n LYS 202 Cb 0.37 -5.11 0.17 0.00 -0.51 0.00 0.00 35.03 29.96 1fqa n LYS 202 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1fqa h HIS 203 N 0.00 0.00 -3.72 2.13 3.86 -0.58 -3.47 115.15 113.38 1fqa h HIS 203 Ca -0.29 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 58.84 1fqa h HIS 203 Cb 0.94 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.27 1fqa h HIS 203 CO 0.40 0.00 -0.31 -1.64 0.86 0.00 0.00 177.93 177.24 1fqa s MET 204 N -3.21 0.89 -0.11 2.45 -1.94 -1.07 -4.70 119.30 111.60 1fqa s MET 204 Ca 0.06 -0.91 -0.00 0.00 -1.71 0.00 0.00 55.69 53.12 1fqa s MET 204 Cb 0.11 0.37 -0.02 0.00 2.01 0.00 0.00 34.83 37.29 1fqa s MET 204 CO 0.71 -0.30 -0.10 1.21 -0.01 0.00 0.00 175.02 176.54 1fqa s ASN 205 N -2.84 4.35 0.64 3.03 3.84 -1.26 -4.24 114.94 118.45 1fqa s ASN 205 Ca 0.04 -0.20 0.39 0.00 0.21 0.00 0.00 52.86 53.30 1fqa s ASN 205 Cb 0.04 -1.47 2.19 0.00 -0.55 0.00 0.00 41.25 41.46 1fqa s ASN 205 CO -0.11 0.23 2.32 0.00 -2.79 0.00 0.00 177.10 176.75 1fqa h ALA 206 N 6.24 1.22 -0.00 1.71 0.00 -1.92 -2.18 119.26 124.32 1fqa h ALA 206 Ca -0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1fqa h ALA 206 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1fqa h ALA 206 CO 0.56 -0.01 -0.34 -0.25 0.00 0.00 0.00 179.25 179.22 1fqa n ASP 207 N -3.39 0.76 -4.70 0.00 8.00 -1.26 -4.85 116.55 111.11 1fqa n ASP 207 Ca -0.03 -0.59 -0.42 0.00 0.71 0.00 0.00 54.79 54.46 1fqa n ASP 207 Cb 0.08 0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 1fqa n ASP 207 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1fqa s THR 208 N -2.70 2.39 0.00 -3.53 2.01 -0.82 -4.97 115.64 108.02 1fqa s THR 208 Ca 0.19 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.28 1fqa s THR 208 Cb 0.19 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.64 1fqa s THR 208 CO 0.59 0.00 0.00 -0.90 -0.69 0.00 0.00 174.62 173.62 1fqa n ASP 209 N 5.01 1.72 0.30 3.53 5.68 -1.26 -1.76 116.55 129.77 1fqa n ASP 209 Ca 0.17 -0.77 -0.17 0.00 -0.50 0.00 0.00 54.79 53.53 1fqa n ASP 209 Cb 0.37 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 40.27 1fqa n ASP 209 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 1fqa h TYR 210 N 0.77 -0.84 -0.66 2.11 5.03 -1.91 -1.23 116.97 120.24 1fqa h TYR 210 Ca 0.00 -0.01 -0.07 0.00 2.58 0.00 0.00 58.73 61.23 1fqa h TYR 210 Cb 0.00 0.30 -0.03 0.00 1.55 0.00 0.00 36.73 38.55 1fqa h TYR 210 CO 0.00 -0.49 0.12 0.77 -1.32 0.00 0.00 178.16 177.24 1fqa h SER 211 N -0.79 1.02 -0.23 -2.11 0.02 -1.99 -0.41 113.55 109.07 1fqa h SER 211 Ca -0.06 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.65 1fqa h SER 211 Cb 0.65 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1fqa h SER 211 CO 0.06 1.01 0.12 0.40 -1.14 0.00 0.00 176.83 177.28 1fqa h ILE 212 N 1.01 1.12 -0.61 3.27 2.04 -1.95 -1.99 117.51 120.40 1fqa h ILE 212 Ca 0.20 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.69 1fqa h ILE 212 Cb 0.41 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1fqa h ILE 212 CO 0.01 0.11 0.13 0.00 0.00 0.00 0.00 178.15 178.40 1fqa h ALA 213 N 1.00 0.80 -0.17 1.87 0.00 -1.04 -2.27 119.26 119.47 1fqa h ALA 213 Ca 0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1fqa h ALA 213 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1fqa h ALA 213 CO -0.01 0.53 0.10 1.49 0.00 0.00 0.00 179.25 181.36 1fqa h GLU 214 N 0.89 0.22 -0.54 0.00 4.81 -0.88 -1.70 114.58 117.38 1fqa h GLU 214 Ca 0.19 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1fqa h GLU 214 Cb 0.38 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 1fqa h GLU 214 CO 0.01 0.18 0.15 0.00 -0.73 0.00 0.00 179.01 178.62 1fqa h ALA 215 N 1.03 0.72 -0.74 2.92 0.00 -1.35 -0.40 119.26 121.44 1fqa h ALA 215 Ca 0.06 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1fqa h ALA 215 Cb 0.01 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 1fqa h ALA 215 CO -0.01 0.39 0.46 0.00 0.00 0.00 0.00 179.25 180.09 1fqa h ALA 216 N 1.03 0.97 -0.13 0.00 0.00 -1.20 0.42 119.26 120.34 1fqa h ALA 216 Ca 0.17 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 1fqa h ALA 216 Cb 0.31 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.89 1fqa h ALA 216 CO -0.00 0.22 -0.68 0.35 0.00 0.00 0.00 179.25 179.14 1fqa h PHE 217 N 0.87 0.94 0.00 0.00 3.57 -1.14 0.23 116.94 121.42 1fqa h PHE 217 Ca 0.30 -0.42 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 1fqa h PHE 217 Cb 0.06 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 1fqa h PHE 217 CO -0.04 1.23 -0.04 -0.91 -2.23 0.00 0.00 178.31 176.31 1fqa h ASN 218 N 0.38 0.00 -0.37 0.41 -0.26 -0.70 -2.22 115.58 112.82 1fqa h ASN 218 Ca -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 1fqa h ASN 218 Cb 1.31 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.57 1fqa h ASN 218 CO 0.14 0.04 0.00 0.29 -1.06 0.00 0.00 177.43 176.85 1fqa n LYS 219 N -3.26 2.48 -1.64 0.81 5.02 0.10 -4.80 118.16 116.88 1fqa n LYS 219 Ca -0.01 -2.26 -0.10 0.00 -2.02 0.00 0.00 58.31 53.92 1fqa n LYS 219 Cb 0.22 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 1fqa n LYS 219 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fqa n GLY 220 N 1.47 0.67 0.11 0.72 0.00 -0.84 -4.92 105.19 102.39 1fqa n GLY 220 Ca 0.19 -0.55 0.02 0.00 0.00 0.00 0.00 46.02 45.68 1fqa n GLY 220 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fqa h GLU 221 N 0.00 0.00 -5.90 1.61 5.08 -1.19 -3.46 114.58 110.72 1fqa h GLU 221 Ca -0.21 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.60 1fqa h GLU 221 Cb 0.84 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 29.84 1fqa h GLU 221 CO 0.28 0.26 -0.83 -0.08 -1.00 0.00 0.00 179.01 177.64 1fqa s THR 222 N -3.01 1.53 -0.27 1.13 -1.32 -1.16 -1.89 115.64 110.65 1fqa s THR 222 Ca -0.01 -1.15 0.21 0.00 -1.21 0.00 0.00 61.69 59.52 1fqa s THR 222 Cb 0.09 -1.34 0.23 0.00 -1.51 0.00 0.00 72.50 69.96 1fqa s THR 222 CO 0.80 0.16 1.58 0.00 -2.21 0.00 0.00 174.62 174.94 1fqa h ALA 223 N 4.88 0.88 -2.51 11.08 0.00 -0.98 -3.42 119.26 129.19 1fqa h ALA 223 Ca -0.41 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 1fqa h ALA 223 Cb 1.16 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.77 1fqa h ALA 223 CO 0.44 0.25 -0.38 -1.64 0.00 0.00 0.00 179.25 177.92 1fqa s MET 224 N -3.16 0.80 0.24 0.00 -1.94 -0.21 -0.67 119.30 114.36 1fqa s MET 224 Ca 0.05 -0.89 -0.13 0.00 -1.71 0.00 0.00 55.69 53.01 1fqa s MET 224 Cb 0.06 0.33 -0.00 0.00 2.01 0.00 0.00 34.83 37.23 1fqa s MET 224 CO 0.69 -0.25 0.46 -0.08 -0.01 0.00 0.00 175.02 175.84 1fqa s THR 225 N -3.56 0.01 -0.13 2.05 -1.32 -0.30 -1.47 115.64 110.92 1fqa s THR 225 Ca 0.03 -1.38 0.00 0.00 -1.21 0.00 0.00 61.69 59.13 1fqa s THR 225 Cb 0.04 -2.15 0.02 0.00 -1.51 0.00 0.00 72.50 68.90 1fqa s THR 225 CO -0.09 -0.03 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.54 1fqa s ILE 226 N -4.01 1.35 0.35 5.08 1.01 -1.26 -1.03 121.20 122.69 1fqa s ILE 226 Ca 0.22 -0.50 -0.15 0.00 0.00 0.00 0.00 60.65 60.21 1fqa s ILE 226 Cb -0.00 -1.29 0.04 0.00 0.01 0.00 0.00 42.46 41.22 1fqa s ILE 226 CO 0.08 0.42 0.73 0.21 0.00 0.00 0.00 174.94 176.38 1fqa s ASN 227 N 1.50 0.03 0.54 3.58 3.04 -1.10 -4.68 114.94 117.85 1fqa s ASN 227 Ca 0.03 -1.06 0.08 0.00 0.04 0.00 0.00 52.86 51.95 1fqa s ASN 227 Cb -0.13 0.80 0.05 0.00 -1.54 0.00 0.00 41.25 40.43 1fqa s ASN 227 CO -0.08 -1.56 0.58 -0.83 -3.04 0.00 0.00 177.10 172.16 1fqa s GLY 228 N -3.05 2.05 0.54 1.21 0.00 -1.26 -1.78 107.32 105.02 1fqa s GLY 228 Ca 0.16 -1.73 0.27 0.00 0.00 0.00 0.00 44.72 43.42 1fqa s GLY 228 CO 0.11 -1.79 1.97 -2.55 0.00 0.00 0.00 173.10 170.85 1fqa h PRO 229 N 0.51 0.00 0.00 2.90 0.11 -1.98 -1.34 132.00 132.20 1fqa h PRO 229 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1fqa h PRO 229 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1fqa h PRO 229 CO 0.49 0.00 0.00 0.11 -0.21 0.00 0.00 178.00 178.39 1fqa h TRP 230 N 0.00 0.00 0.00 0.65 0.09 -1.97 -2.84 115.95 111.88 1fqa h TRP 230 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.24 1fqa h TRP 230 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.34 1fqa h TRP 230 CO 0.00 0.00 -1.07 0.00 0.09 0.00 0.00 178.44 177.46 1fqa n ALA 231 N -2.05 3.43 -0.22 0.11 0.00 -0.51 -4.47 120.51 116.80 1fqa n ALA 231 Ca -0.01 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1fqa n ALA 231 Cb 0.17 -0.95 0.12 0.00 0.00 0.00 0.00 19.45 18.79 1fqa n ALA 231 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1fqa h TRP 232 N 0.00 0.54 -0.07 0.00 6.55 -1.61 -1.61 115.95 119.75 1fqa h TRP 232 Ca 0.00 0.03 0.02 0.00 0.95 0.00 0.00 58.89 59.89 1fqa h TRP 232 Cb 0.73 -0.14 -0.00 0.00 -0.86 0.00 0.00 29.16 28.89 1fqa h TRP 232 CO 0.00 0.18 0.06 0.66 -1.05 0.00 0.00 178.44 178.29 1fqa h SER 233 N 0.52 0.00 -0.05 -3.49 4.64 -1.79 -0.45 113.55 112.93 1fqa h SER 233 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1fqa h SER 233 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1fqa h SER 233 CO -0.27 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 172.49 1fqa n ASN 234 N -4.24 1.07 -0.10 4.97 5.15 -0.61 -3.64 115.26 117.86 1fqa n ASN 234 Ca -0.01 -1.45 -0.17 0.00 -0.60 0.00 0.00 54.58 52.34 1fqa n ASN 234 Cb 0.16 -0.03 -0.09 0.00 -0.53 0.00 0.00 39.78 39.30 1fqa n ASN 234 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1fqa n ILE 235 N -0.13 1.14 -0.32 -1.44 5.41 -0.27 -4.55 119.36 119.20 1fqa n ILE 235 Ca 0.19 -0.38 0.22 0.00 1.00 0.00 0.00 62.75 63.78 1fqa n ILE 235 Cb 0.26 -1.43 0.50 0.00 -0.71 0.00 0.00 39.64 38.26 1fqa n ILE 235 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1fqa h ASP 236 N -0.30 0.46 1.03 4.38 3.32 -1.38 0.37 116.42 124.30 1fqa h ASP 236 Ca -0.48 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1fqa h ASP 236 Cb 1.60 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.16 1fqa h ASP 236 CO -0.17 0.09 0.00 0.71 -1.72 0.00 0.00 179.24 178.15 1fqa h THR 237 N 0.41 0.00 0.00 0.35 1.35 -1.80 -2.90 112.91 110.32 1fqa h THR 237 Ca 0.60 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 66.09 1fqa h THR 237 Cb 1.49 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1fqa h THR 237 CO -0.30 0.00 -0.51 0.77 -0.25 0.00 0.00 175.52 175.22 1fqa h SER 238 N 0.00 0.00 0.00 5.36 4.64 -0.49 -3.48 113.55 119.58 1fqa h SER 238 Ca 0.00 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1fqa h SER 238 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1fqa h SER 238 CO 0.00 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.30 1fqa n LYS 239 N -2.44 0.00 -1.55 4.77 5.02 -1.10 -4.99 118.16 117.87 1fqa n LYS 239 Ca 0.03 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.87 1fqa n LYS 239 Cb 0.48 -1.28 -0.01 0.00 -0.02 0.00 0.00 35.03 34.20 1fqa n LYS 239 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1fqa n VAL 240 N -1.93 2.00 -2.70 -0.18 3.14 -1.26 -4.85 118.33 112.55 1fqa n VAL 240 Ca 0.00 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.46 1fqa n VAL 240 Cb 0.00 -0.83 -0.03 0.00 -1.06 0.00 0.00 33.84 31.92 1fqa n VAL 240 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1fqa s ASN 241 N -0.66 6.20 0.29 6.55 3.84 -1.26 -4.92 114.94 124.98 1fqa s ASN 241 Ca 0.60 -0.61 0.10 0.00 0.21 0.00 0.00 52.86 53.16 1fqa s ASN 241 Cb -0.72 -2.49 -0.05 0.00 -0.55 0.00 0.00 41.25 37.44 1fqa s ASN 241 CO 0.59 -1.61 -0.04 -0.72 -2.79 0.00 0.00 177.10 172.54 1fqa s TYR 242 N 4.87 2.58 0.23 0.43 1.13 -1.26 -0.57 117.35 124.76 1fqa s TYR 242 Ca 0.30 -0.29 0.04 0.00 -1.41 0.00 0.00 57.07 55.70 1fqa s TYR 242 Cb -0.12 -1.22 -0.05 0.00 -1.10 0.00 0.00 41.96 39.47 1fqa s TYR 242 CO 0.14 0.60 -0.01 0.20 -2.51 0.00 0.00 175.55 173.98 1fqa s GLY 243 N -3.65 1.56 -0.07 5.49 0.00 -0.13 -4.87 107.32 105.65 1fqa s GLY 243 Ca 0.32 -1.77 0.01 0.00 0.00 0.00 0.00 44.72 43.28 1fqa s GLY 243 CO 0.19 -1.68 -0.07 0.14 0.00 0.00 0.00 173.10 171.68 1fqa s VAL 244 N -3.39 0.84 0.32 1.40 1.01 -1.26 -1.46 120.40 117.85 1fqa s VAL 244 Ca 0.28 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.06 1fqa s VAL 244 Cb 0.05 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 1fqa s VAL 244 CO 0.09 0.31 0.26 0.28 0.00 0.00 0.00 175.10 176.03 1fqa s THR 245 N 1.09 0.02 0.48 3.92 -1.32 0.09 -4.55 115.64 115.37 1fqa s THR 245 Ca -0.07 -2.00 -0.24 0.00 -1.21 0.00 0.00 61.69 58.17 1fqa s THR 245 Cb -0.14 -2.50 -0.07 0.00 -1.51 0.00 0.00 72.50 68.28 1fqa s THR 245 CO -0.01 0.00 1.37 0.54 -2.21 0.00 0.00 174.62 174.32 1fqa s VAL 246 N -3.51 2.19 0.68 5.08 0.11 -1.26 -1.67 120.40 122.02 1fqa s VAL 246 Ca 0.40 0.15 -0.16 0.00 -2.93 0.00 0.00 61.98 59.44 1fqa s VAL 246 Cb 0.03 -3.09 0.01 0.00 -1.53 0.00 0.00 36.38 31.80 1fqa s VAL 246 CO 0.26 0.01 1.21 -0.76 -3.33 0.00 0.00 175.10 172.49 1fqa s LEU 247 N -3.00 3.43 0.66 2.54 1.43 -1.26 -4.55 118.68 117.93 1fqa s LEU 247 Ca 0.65 2.35 -0.15 0.00 -1.03 0.00 0.00 54.13 55.95 1fqa s LEU 247 Cb -0.41 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.22 1fqa s LEU 247 CO 0.51 -2.01 1.11 -2.16 0.23 0.00 0.00 176.35 174.03 1fqa s PRO 248 N -3.74 2.78 0.49 1.29 0.04 -1.26 -4.63 135.00 129.98 1fqa s PRO 248 Ca 0.75 1.38 -0.04 0.00 0.04 0.00 0.00 61.00 63.13 1fqa s PRO 248 Cb -0.29 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 1fqa s PRO 248 CO 0.41 -1.26 0.78 0.95 0.04 0.00 0.00 177.00 177.92 1fqa s THR 249 N -2.37 4.45 -0.05 1.26 -4.23 0.60 -3.54 115.64 111.76 1fqa s THR 249 Ca 0.67 -0.03 0.01 0.00 -1.18 0.00 0.00 61.69 61.16 1fqa s THR 249 Cb -0.20 -3.69 0.02 0.00 1.34 0.00 0.00 72.50 69.97 1fqa s THR 249 CO 0.42 -0.64 -0.05 0.12 -0.54 0.00 0.00 174.62 173.94 1fqa s PHE 250 N -2.74 0.83 -1.47 3.99 5.36 0.27 -0.30 117.98 123.92 1fqa s PHE 250 Ca 0.49 -0.25 -0.11 0.00 -0.96 0.00 0.00 56.93 56.09 1fqa s PHE 250 Cb -0.10 -0.74 0.06 0.00 -0.34 0.00 0.00 43.02 41.89 1fqa s PHE 250 CO 0.43 -0.23 0.93 1.63 -1.46 0.00 0.00 175.22 176.52 1fqa n LYS 251 N 4.23 -5.82 -0.81 10.12 5.02 -1.26 -0.71 118.16 128.93 1fqa n LYS 251 Ca -0.22 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 1fqa n LYS 251 Cb 0.51 -5.59 0.00 0.00 -0.02 0.00 0.00 35.03 29.92 1fqa n LYS 251 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fqa n GLY 252 N -1.69 0.47 3.62 0.72 0.00 -1.26 -4.99 105.19 102.06 1fqa n GLY 252 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1fqa n GLY 252 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fqa s GLN 253 N -0.58 3.47 0.57 1.61 -1.52 0.11 -5.03 119.66 118.28 1fqa s GLN 253 Ca 0.00 -0.41 -0.21 0.00 -1.95 0.00 0.00 55.36 52.79 1fqa s GLN 253 Cb 0.00 -2.96 -0.04 0.00 -0.22 0.00 0.00 33.01 29.79 1fqa s GLN 253 CO 0.00 0.46 1.36 -1.25 -0.25 0.00 0.00 175.29 175.61 1fqa s PRO 254 N -0.20 3.00 0.55 2.91 0.04 -1.26 -0.56 135.00 139.47 1fqa s PRO 254 Ca 0.06 2.23 -0.20 0.00 0.04 0.00 0.00 61.00 63.13 1fqa s PRO 254 Cb -0.12 -2.17 -0.06 0.00 0.04 0.00 0.00 34.50 32.19 1fqa s PRO 254 CO 0.02 -1.30 1.15 -1.12 0.04 0.00 0.00 177.00 175.79 1fqa s SER 255 N -1.01 5.64 -0.60 6.66 0.01 -1.23 -4.42 113.70 118.75 1fqa s SER 255 Ca 0.74 2.23 0.04 0.00 1.31 0.00 0.00 55.95 60.27 1fqa s SER 255 Cb -0.40 -2.59 0.15 0.00 0.21 0.00 0.00 66.02 63.39 1fqa s SER 255 CO 0.47 -1.28 0.38 -0.54 0.41 0.00 0.00 173.24 172.68 1fqa s LYS 256 N -3.26 2.13 0.52 12.44 1.02 -0.85 -4.59 119.74 127.15 1fqa s LYS 256 Ca 0.73 -2.92 -0.20 0.00 0.02 0.00 0.00 55.97 53.60 1fqa s LYS 256 Cb -0.25 -3.21 -0.07 0.00 -0.52 0.00 0.00 37.83 33.77 1fqa s LYS 256 CO 0.29 -1.22 1.08 -1.25 -0.92 0.00 0.00 175.35 173.33 1fqa s PRO 257 N -0.82 3.57 0.57 -1.68 0.04 -1.26 -4.23 135.00 131.19 1fqa s PRO 257 Ca 0.22 1.47 -0.18 0.00 0.04 0.00 0.00 61.00 62.55 1fqa s PRO 257 Cb -0.14 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1fqa s PRO 257 CO -0.09 -0.65 1.08 -0.06 0.04 0.00 0.00 177.00 177.33 1fqa s PHE 258 N -1.90 2.82 -0.05 0.56 0.08 -1.26 -1.45 117.98 116.78 1fqa s PHE 258 Ca 0.70 1.54 0.06 0.00 0.12 0.00 0.00 56.93 59.35 1fqa s PHE 258 Cb -0.20 -3.13 -0.02 0.00 -0.57 0.00 0.00 43.02 39.11 1fqa s PHE 258 CO 0.24 -1.30 -0.23 0.08 -0.10 0.00 0.00 175.22 173.91 1fqa s VAL 259 N -2.15 2.28 -0.14 -0.44 1.01 0.93 -4.50 120.40 117.39 1fqa s VAL 259 Ca 0.68 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1fqa s VAL 259 Cb -0.19 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1fqa s VAL 259 CO 0.32 0.57 -0.10 -0.83 0.00 0.00 0.00 175.10 175.05 1fqa s GLY 260 N -0.31 1.58 -0.33 4.51 0.00 -0.51 -1.84 107.32 110.42 1fqa s GLY 260 Ca 0.01 -0.90 -0.01 0.00 0.00 0.00 0.00 44.72 43.82 1fqa s GLY 260 CO 0.02 -0.10 0.05 0.14 0.00 0.00 0.00 173.10 173.22 1fqa s VAL 261 N 0.47 2.91 0.10 1.40 1.01 -1.26 -1.31 120.40 123.72 1fqa s VAL 261 Ca -0.08 -1.72 -0.31 0.00 0.00 0.00 0.00 61.98 59.87 1fqa s VAL 261 Cb -0.15 -2.83 -0.10 0.00 0.00 0.00 0.00 36.38 33.30 1fqa s VAL 261 CO 0.04 -0.33 1.80 -0.22 0.00 0.00 0.00 175.10 176.39 1fqa s LEU 262 N 1.16 4.39 0.20 3.92 2.96 -0.98 -1.19 118.68 129.15 1fqa s LEU 262 Ca 0.00 2.68 0.06 0.00 -0.22 0.00 0.00 54.13 56.66 1fqa s LEU 262 Cb -0.20 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 1fqa s LEU 262 CO -0.03 -0.98 -0.09 -0.44 -1.32 0.00 0.00 176.35 173.48 1fqa s SER 263 N 2.82 2.23 -0.26 3.68 0.01 -0.02 -0.35 113.70 121.81 1fqa s SER 263 Ca 0.80 -1.08 0.03 0.00 1.31 0.00 0.00 55.95 57.01 1fqa s SER 263 Cb -0.44 -0.08 0.06 0.00 0.21 0.00 0.00 66.02 65.77 1fqa s SER 263 CO 0.36 -0.30 -0.11 0.00 0.41 0.00 0.00 173.24 173.59 1fqa s ALA 264 N -3.17 2.56 0.14 1.44 0.00 -0.10 -1.33 121.76 121.30 1fqa s ALA 264 Ca 0.23 -1.74 0.03 0.00 0.00 0.00 0.00 51.96 50.47 1fqa s ALA 264 Cb 0.02 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 1fqa s ALA 264 CO 0.06 -1.16 0.24 0.20 0.00 0.00 0.00 175.76 175.10 1fqa s GLY 265 N 1.11 1.78 -0.19 0.00 0.00 0.16 -1.27 107.32 108.91 1fqa s GLY 265 Ca -0.08 -1.04 -0.07 0.00 0.00 0.00 0.00 44.72 43.53 1fqa s GLY 265 CO -0.05 -1.04 0.04 -0.42 0.00 0.00 0.00 173.10 171.63 1fqa s ILE 266 N -1.70 4.49 0.10 0.90 1.01 -1.26 -1.03 121.20 123.70 1fqa s ILE 266 Ca 0.34 -0.13 -0.32 0.00 0.00 0.00 0.00 60.65 60.53 1fqa s ILE 266 Cb -0.11 -3.03 -0.12 0.00 0.01 0.00 0.00 42.46 39.21 1fqa s ILE 266 CO 0.27 0.44 1.78 -3.20 0.00 0.00 0.00 174.94 174.23 1fqa n ASN 267 N 3.88 3.72 0.24 3.58 2.85 0.27 -0.48 115.26 129.32 1fqa n ASN 267 Ca -0.17 1.01 0.14 0.00 -0.11 0.00 0.00 54.58 55.46 1fqa n ASN 267 Cb 0.52 -1.49 0.81 0.00 1.24 0.00 0.00 39.78 40.87 1fqa n ASN 267 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1fqa h ALA 268 N 7.99 1.79 -0.12 5.20 0.00 -1.29 -0.51 119.26 132.32 1fqa h ALA 268 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1fqa h ALA 268 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1fqa h ALA 268 CO 0.93 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 180.05 1fqa n ALA 269 N -2.40 2.53 -2.19 0.00 0.00 -1.26 -4.87 120.51 112.32 1fqa n ALA 269 Ca -0.01 -0.54 -0.41 0.00 0.00 0.00 0.00 53.44 52.48 1fqa n ALA 269 Cb 0.19 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 1fqa n ALA 269 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1fqa s SER 270 N -1.75 7.10 0.00 0.00 0.15 -0.20 -4.59 113.70 114.40 1fqa s SER 270 Ca 0.35 2.14 0.15 0.00 0.70 0.00 0.00 55.95 59.29 1fqa s SER 270 Cb 0.19 -2.60 0.50 0.00 -1.71 0.00 0.00 66.02 62.41 1fqa s SER 270 CO 0.30 -0.40 1.38 -0.81 1.20 0.00 0.00 173.24 174.91 1fqa n PRO 271 N 3.05 1.77 -1.59 5.44 -0.04 -1.26 -4.00 135.00 138.37 1fqa n PRO 271 Ca 0.06 -1.19 -0.16 0.00 -0.04 0.00 0.00 63.50 62.18 1fqa n PRO 271 Cb 0.45 -1.32 0.08 0.00 -0.04 0.00 0.00 33.50 32.67 1fqa n PRO 271 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1fqa n ASN 272 N 0.43 4.06 -0.04 3.54 3.02 -1.26 -4.83 115.26 120.19 1fqa n ASN 272 Ca 0.14 -3.80 -0.00 0.00 -0.03 0.00 0.00 54.58 50.89 1fqa n ASN 272 Cb 0.31 -0.41 0.29 0.00 -0.61 0.00 0.00 39.78 39.35 1fqa n ASN 272 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1fqa h LYS 273 N 1.83 0.62 -0.39 3.52 1.57 -1.93 -1.00 116.57 120.79 1fqa h LYS 273 Ca 0.27 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 1fqa h LYS 273 Cb 1.38 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 1fqa h LYS 273 CO 0.56 0.57 -0.34 0.93 -0.57 0.00 0.00 179.45 180.60 1fqa h GLU 274 N 0.60 0.92 -0.62 3.15 3.07 -1.94 -1.23 114.58 118.53 1fqa h GLU 274 Ca 0.14 -0.47 -0.08 0.00 -0.50 0.00 0.00 59.36 58.45 1fqa h GLU 274 Cb 0.25 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.14 1fqa h GLU 274 CO -0.00 1.13 0.09 -0.07 -1.40 0.00 0.00 179.01 178.75 1fqa h LEU 275 N 0.74 0.98 -0.55 1.33 3.38 -1.87 -1.54 115.31 117.77 1fqa h LEU 275 Ca 0.07 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1fqa h LEU 275 Cb 0.94 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1fqa h LEU 275 CO 0.09 0.98 0.20 0.00 0.09 0.00 0.00 178.44 179.80 1fqa h ALA 276 N 1.13 0.72 -0.25 1.53 0.00 -1.00 -0.57 119.26 120.82 1fqa h ALA 276 Ca 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1fqa h ALA 276 Cb 0.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1fqa h ALA 276 CO 0.01 0.35 0.11 -0.22 0.00 0.00 0.00 179.25 179.50 1fqa h LYS 277 N 0.76 0.37 -0.33 0.00 3.64 -1.00 -0.51 116.57 119.51 1fqa h LYS 277 Ca 0.18 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1fqa h LYS 277 Cb 0.23 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1fqa h LYS 277 CO -0.01 0.40 0.16 1.49 -2.27 0.00 0.00 179.45 179.22 1fqa h GLU 278 N 0.26 0.32 0.40 1.90 4.57 -1.08 0.61 114.58 121.56 1fqa h GLU 278 Ca 0.08 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1fqa h GLU 278 Cb 0.16 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1fqa h GLU 278 CO -0.01 0.21 -0.19 0.35 -1.18 0.00 0.00 179.01 178.20 1fqa h PHE 279 N 0.33 -0.49 -0.30 0.92 3.57 -0.96 -1.34 116.94 118.67 1fqa h PHE 279 Ca 0.14 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1fqa h PHE 279 Cb 0.05 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1fqa h PHE 279 CO -0.10 -0.26 0.13 -0.07 -2.23 0.00 0.00 178.31 175.78 1fqa h LEU 280 N -0.61 0.41 -0.00 0.59 3.38 -0.98 -0.52 115.31 117.58 1fqa h LEU 280 Ca -0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1fqa h LEU 280 Cb 0.45 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1fqa h LEU 280 CO 0.09 0.46 -0.02 -0.33 0.09 0.00 0.00 178.44 178.73 1fqa h GLU 281 N 0.34 0.02 -0.41 1.13 5.08 -0.93 -0.14 114.58 119.67 1fqa h GLU 281 Ca 0.10 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1fqa h GLU 281 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1fqa h GLU 281 CO -0.01 0.68 0.00 0.09 -1.00 0.00 0.00 179.01 178.77 1fqa n ASN 282 N -4.75 3.39 0.05 1.42 3.02 -0.51 -4.09 115.26 113.79 1fqa n ASN 282 Ca -0.09 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.50 1fqa n ASN 282 Cb 0.34 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1fqa n ASN 282 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1fqa n TYR 283 N 1.37 -0.58 -0.03 3.10 4.02 -0.60 -4.92 117.16 119.52 1fqa n TYR 283 Ca 0.18 0.10 -0.13 0.00 -0.01 0.00 0.00 57.90 58.05 1fqa n TYR 283 Cb 0.57 0.20 -0.11 0.00 -0.02 0.00 0.00 39.34 39.99 1fqa n TYR 283 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1fqa h LEU 284 N 0.00 -0.02 -5.27 7.72 5.85 -1.19 -3.26 115.31 119.15 1fqa h LEU 284 Ca 0.00 -0.69 -0.69 0.00 0.84 0.00 0.00 57.88 57.33 1fqa h LEU 284 Cb 0.25 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1fqa h LEU 284 CO 0.00 0.70 3.37 0.18 -0.34 0.00 0.00 178.44 182.36 1fqa n LEU 285 N -4.75 8.43 -4.12 2.25 4.77 -0.07 -2.44 117.00 121.08 1fqa n LEU 285 Ca -0.09 -4.51 -0.09 0.00 -0.03 0.00 0.00 56.01 51.29 1fqa n LEU 285 Cb 0.35 -1.51 -0.10 0.00 -2.33 0.00 0.00 43.42 39.84 1fqa n LEU 285 CO 0.32 2.01 -0.30 0.42 -1.33 0.00 0.00 177.39 178.51 1fqa s THR 286 N 1.22 0.14 0.22 -5.08 -4.23 -1.26 -4.80 115.64 101.85 1fqa s THR 286 Ca 0.64 -1.85 -0.08 0.00 -1.18 0.00 0.00 61.69 59.22 1fqa s THR 286 Cb 0.18 -1.87 0.16 0.00 1.34 0.00 0.00 72.50 72.31 1fqa s THR 286 CO -0.07 -0.61 1.82 0.44 -0.54 0.00 0.00 174.62 175.65 1fqa h ASP 287 N 2.93 0.63 -0.33 3.99 3.32 -1.91 -1.20 116.42 123.85 1fqa h ASP 287 Ca -0.35 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.63 1fqa h ASP 287 Cb 1.18 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1fqa h ASP 287 CO 0.61 0.40 -0.16 1.05 -1.72 0.00 0.00 179.24 179.42 1fqa h GLU 288 N 0.77 0.79 0.03 3.56 4.11 -1.91 -1.29 114.58 120.64 1fqa h GLU 288 Ca 0.32 -0.29 -0.00 0.00 0.07 0.00 0.00 59.36 59.46 1fqa h GLU 288 Cb 0.19 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1fqa h GLU 288 CO -0.18 0.90 -0.01 0.78 0.07 0.00 0.00 179.01 180.57 1fqa h GLY 289 N 0.97 -0.04 1.96 1.06 0.00 -1.45 -2.70 103.07 102.86 1fqa h GLY 289 Ca 0.11 0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.38 1fqa h GLY 289 CO 0.05 -0.02 -0.33 1.41 0.00 0.00 0.00 176.54 177.65 1fqa h LEU 290 N -0.45 0.05 -0.61 3.11 3.38 -0.90 -2.72 115.31 117.16 1fqa h LEU 290 Ca -0.00 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1fqa h LEU 290 Cb 0.42 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1fqa h LEU 290 CO 0.01 0.38 0.15 -0.08 0.09 0.00 0.00 178.44 178.99 1fqa h GLU 291 N 0.04 0.98 -0.44 1.13 4.81 -1.20 0.74 114.58 120.65 1fqa h GLU 291 Ca 0.00 -0.24 0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1fqa h GLU 291 Cb 0.61 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1fqa h GLU 291 CO 0.04 0.90 0.26 0.00 -0.73 0.00 0.00 179.01 179.48 1fqa h ALA 292 N 1.04 0.55 -0.04 2.92 0.00 -1.17 0.17 119.26 122.73 1fqa h ALA 292 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1fqa h ALA 292 Cb 0.36 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1fqa h ALA 292 CO 0.00 -0.06 -0.07 0.28 0.00 0.00 0.00 179.25 179.40 1fqa h VAL 293 N 0.52 1.41 -0.93 0.00 2.07 -1.34 -3.18 116.25 114.80 1fqa h VAL 293 Ca 0.17 -1.33 0.04 0.00 0.82 0.00 0.00 66.70 66.40 1fqa h VAL 293 Cb 0.01 2.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 1fqa h VAL 293 CO -0.08 0.36 0.60 -1.13 0.02 0.00 0.00 177.57 177.34 1fqa h ASN 294 N -0.37 0.99 0.11 0.57 -1.24 -0.74 -1.43 115.58 113.47 1fqa h ASN 294 Ca 0.00 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 1fqa h ASN 294 Cb 0.62 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.45 1fqa h ASN 294 CO 0.02 0.67 -0.09 0.50 -1.29 0.00 0.00 177.43 177.23 1fqa h LYS 295 N 1.15 0.00 0.14 6.67 3.64 -0.71 -2.80 116.57 124.66 1fqa h LYS 295 Ca 0.38 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 1fqa h LYS 295 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1fqa h LYS 295 CO -0.13 0.09 -0.07 0.22 -2.27 0.00 0.00 179.45 177.30 1fqa h ASP 296 N 0.00 -0.16 -3.32 4.20 3.58 -1.26 -3.45 116.42 116.01 1fqa h ASP 296 Ca -0.00 0.01 -0.42 0.00 0.42 0.00 0.00 57.03 57.03 1fqa h ASP 296 Cb 0.18 0.04 -0.37 0.00 1.72 0.00 0.00 39.33 40.90 1fqa h ASP 296 CO 0.01 0.04 -0.77 -0.54 -2.88 0.00 0.00 179.24 175.11 1fqa s LYS 297 N -2.19 0.60 0.20 0.28 1.02 -0.84 -5.00 119.74 113.82 1fqa s LYS 297 Ca -0.03 0.07 -0.32 0.00 0.02 0.00 0.00 55.97 55.71 1fqa s LYS 297 Cb 0.00 -0.89 -0.15 0.00 -0.52 0.00 0.00 37.83 36.28 1fqa s LYS 297 CO 0.08 -0.25 1.24 -0.35 -0.92 0.00 0.00 175.35 175.16 1fqa n PRO 298 N 4.85 1.49 0.02 -1.68 -0.04 -1.06 -4.13 135.00 134.44 1fqa n PRO 298 Ca -0.12 0.53 0.12 0.00 -0.04 0.00 0.00 63.50 63.98 1fqa n PRO 298 Cb 0.50 -2.08 0.15 0.00 -0.04 0.00 0.00 33.50 32.03 1fqa n PRO 298 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1fqa n LEU 299 N 2.02 0.61 0.00 1.53 4.77 -1.26 -4.99 117.00 119.68 1fqa n LEU 299 Ca 0.13 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1fqa n LEU 299 Cb 0.27 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1fqa n LEU 299 CO 0.62 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1fqa n GLY 300 N 1.42 1.24 3.95 -0.72 0.00 -1.26 -4.52 105.19 105.30 1fqa n GLY 300 Ca 0.04 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 1fqa n GLY 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fqa s ALA 301 N -2.00 3.74 0.22 4.61 0.00 -1.09 -4.96 121.76 122.28 1fqa s ALA 301 Ca 0.00 -0.98 0.07 0.00 0.00 0.00 0.00 51.96 51.05 1fqa s ALA 301 Cb 0.00 -2.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 1fqa s ALA 301 CO 0.00 -0.11 -0.11 0.14 0.00 0.00 0.00 175.76 175.67 1fqa s VAL 302 N -2.37 1.62 -0.07 0.00 -7.23 -1.26 -0.70 120.40 110.39 1fqa s VAL 302 Ca 0.42 -2.17 0.17 0.00 -1.81 0.00 0.00 61.98 58.59 1fqa s VAL 302 Cb -0.10 -2.13 0.10 0.00 0.56 0.00 0.00 36.38 34.81 1fqa s VAL 302 CO 0.36 -0.53 1.54 0.00 -0.31 0.00 0.00 175.10 176.17 1fqa h ALA 303 N 2.51 0.77 -1.88 1.32 0.00 -1.59 -3.44 119.26 116.96 1fqa h ALA 303 Ca -0.38 -0.40 -0.57 0.00 0.00 0.00 0.00 54.91 53.56 1fqa h ALA 303 Cb 1.22 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 1fqa h ALA 303 CO 0.63 0.55 0.95 -1.17 0.00 0.00 0.00 179.25 180.21 1fqa s LEU 304 N -6.60 3.80 0.16 0.00 2.96 -1.26 -2.04 118.68 115.70 1fqa s LEU 304 Ca 0.03 0.96 -0.19 0.00 -0.22 0.00 0.00 54.13 54.71 1fqa s LEU 304 Cb 0.08 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.31 1fqa s LEU 304 CO 0.72 -1.12 1.64 0.11 -1.32 0.00 0.00 176.35 176.38 1fqa h LYS 305 N 9.21 -0.13 -0.64 1.98 1.57 -1.50 -0.66 116.57 126.40 1fqa h LYS 305 Ca -0.24 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1fqa h LYS 305 Cb 1.08 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 33.35 1fqa h LYS 305 CO 1.06 -0.08 0.26 0.66 -0.57 0.00 0.00 179.45 180.77 1fqa h SER 306 N -0.13 0.28 0.71 0.86 4.64 -1.92 -0.60 113.55 117.38 1fqa h SER 306 Ca 0.18 0.08 -0.24 0.00 -0.47 0.00 0.00 61.79 61.33 1fqa h SER 306 Cb 0.41 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1fqa h SER 306 CO -0.44 0.16 -1.11 0.22 -0.87 0.00 0.00 176.83 174.78 1fqa h TYR 307 N 0.45 0.34 -0.70 4.77 3.20 -1.87 -3.20 116.97 119.96 1fqa h TYR 307 Ca 0.32 -0.24 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1fqa h TYR 307 Cb 0.40 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 1fqa h TYR 307 CO -0.16 1.16 0.40 1.49 -1.64 0.00 0.00 178.16 179.41 1fqa h GLU 308 N 0.07 0.95 0.00 1.82 4.57 -0.65 0.14 114.58 121.49 1fqa h GLU 308 Ca -0.09 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 57.98 1fqa h GLU 308 Cb 1.83 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 30.22 1fqa h GLU 308 CO 0.17 0.69 -0.13 0.93 -1.18 0.00 0.00 179.01 179.49 1fqa h GLU 309 N 0.97 0.00 0.09 1.92 5.08 -1.12 0.28 114.58 121.80 1fqa h GLU 309 Ca 0.25 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.45 1fqa h GLU 309 Cb -0.01 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1fqa h GLU 309 CO -0.04 0.13 -0.75 0.93 -1.00 0.00 0.00 179.01 178.27 1fqa h GLU 310 N 0.00 0.20 -0.02 2.33 5.08 -1.16 -3.32 114.58 117.69 1fqa h GLU 310 Ca -0.00 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1fqa h GLU 310 Cb 0.24 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1fqa h GLU 310 CO 0.02 1.16 -0.09 -0.07 -1.00 0.00 0.00 179.01 179.03 1fqa h LEU 311 N -0.55 0.02 0.00 1.33 3.38 -0.37 -2.48 115.31 116.64 1fqa h LEU 311 Ca -0.15 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1fqa h LEU 311 Cb 1.49 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1fqa h LEU 311 CO 0.08 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.73 1fqa n ALA 312 N -2.52 1.31 0.30 1.53 0.00 0.94 -1.00 120.51 121.07 1fqa n ALA 312 Ca -0.02 -0.02 0.17 0.00 0.00 0.00 0.00 53.44 53.57 1fqa n ALA 312 Cb 0.18 -1.06 0.80 0.00 0.00 0.00 0.00 19.45 19.37 1fqa n ALA 312 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1fqa h LYS 313 N 0.00 0.00 -5.27 0.00 1.57 -1.63 -3.36 116.57 107.88 1fqa h LYS 313 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 1fqa h LYS 313 Cb 0.04 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.19 1fqa h LYS 313 CO 0.00 0.00 0.03 0.34 -0.57 0.00 0.00 179.45 179.25 1fqa s ASP 314 N -4.93 6.29 0.58 0.86 -1.08 -0.17 -4.94 116.67 113.27 1fqa s ASP 314 Ca -0.01 -0.38 0.28 0.00 -0.52 0.00 0.00 52.55 51.92 1fqa s ASP 314 Cb 0.10 -2.29 1.51 0.00 -1.46 0.00 0.00 42.92 40.78 1fqa s ASP 314 CO 0.41 -0.70 1.97 1.55 0.52 0.00 0.00 175.17 178.91 1fqa h PRO 315 N 8.80 0.00 -0.51 4.34 0.13 -1.87 -0.47 132.00 142.42 1fqa h PRO 315 Ca -0.26 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.76 1fqa h PRO 315 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1fqa h PRO 315 CO 0.86 0.00 -0.13 0.00 -0.23 0.00 0.00 178.00 178.50 1fqa h ARG 316 N 0.00 0.99 0.01 0.86 3.08 -1.91 -0.56 114.38 116.85 1fqa h ARG 316 Ca 0.19 -0.38 -0.26 0.00 0.07 0.00 0.00 59.98 59.60 1fqa h ARG 316 Cb 0.97 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 30.99 1fqa h ARG 316 CO -0.00 1.06 -1.04 0.82 -1.07 0.00 0.00 179.97 179.74 1fqa h ILE 317 N 0.85 1.32 -0.89 2.04 2.04 -1.43 -2.01 117.51 119.44 1fqa h ILE 317 Ca 0.13 -2.35 -0.01 0.00 1.00 0.00 0.00 64.86 63.64 1fqa h ILE 317 Cb 0.70 2.43 -0.04 0.00 -0.74 0.00 0.00 36.82 39.17 1fqa h ILE 317 CO 0.05 0.72 0.54 0.00 0.00 0.00 0.00 178.15 179.46 1fqa h ALA 318 N 0.50 1.14 -0.53 1.87 0.00 -1.20 -1.67 119.26 119.37 1fqa h ALA 318 Ca -0.12 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1fqa h ALA 318 Cb 1.69 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1fqa h ALA 318 CO 0.20 0.60 -0.03 0.00 0.00 0.00 0.00 179.25 180.01 1fqa h ALA 319 N 1.29 0.93 -0.27 0.00 0.00 -1.05 -1.45 119.26 118.72 1fqa h ALA 319 Ca 0.32 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1fqa h ALA 319 Cb -0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1fqa h ALA 319 CO -0.06 0.63 0.11 1.15 0.00 0.00 0.00 179.25 181.08 1fqa h THR 320 N 0.85 0.95 -0.42 0.00 2.02 -0.57 -1.37 112.91 114.38 1fqa h THR 320 Ca 0.15 -0.08 -0.12 0.00 0.77 0.00 0.00 66.41 67.13 1fqa h THR 320 Cb 0.55 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1fqa h THR 320 CO 0.03 0.04 -0.23 -0.03 0.37 0.00 0.00 175.52 175.70 1fqa h MET 321 N 0.24 0.85 -0.42 6.66 -1.53 -1.17 -1.11 114.93 118.45 1fqa h MET 321 Ca 0.11 -0.36 0.00 0.00 -3.44 0.00 0.00 59.70 56.02 1fqa h MET 321 Cb 0.07 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.06 1fqa h MET 321 CO -0.10 0.99 0.28 1.49 0.14 0.00 0.00 176.91 179.71 1fqa h GLU 322 N 0.73 0.55 -0.42 0.39 4.81 -0.96 0.14 114.58 119.82 1fqa h GLU 322 Ca 0.10 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 1fqa h GLU 322 Cb 0.77 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 1fqa h GLU 322 CO 0.06 0.37 -0.25 -0.91 -0.73 0.00 0.00 179.01 177.55 1fqa h ASN 323 N 0.57 0.91 -0.66 1.04 2.35 -1.18 -2.89 115.58 115.71 1fqa h ASN 323 Ca 0.15 -0.35 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 1fqa h ASN 323 Cb -0.06 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.03 1fqa h ASN 323 CO -0.03 1.11 0.43 0.00 -1.65 0.00 0.00 177.43 177.28 1fqa h ALA 324 N 0.95 0.84 0.00 -0.83 0.00 -0.71 -0.98 119.26 118.53 1fqa h ALA 324 Ca 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1fqa h ALA 324 Cb 0.81 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1fqa h ALA 324 CO 0.07 0.28 -0.11 1.96 0.00 0.00 0.00 179.25 181.45 1fqa h GLN 325 N 0.90 0.00 0.00 0.00 4.20 -0.91 -2.14 115.11 117.16 1fqa h GLN 325 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1fqa h GLN 325 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1fqa h GLN 325 CO -0.05 0.11 -0.65 1.63 -0.67 0.00 0.00 178.83 179.20 1fqa n LYS 326 N -3.31 0.23 0.00 1.46 5.02 -0.83 -4.92 118.16 115.82 1fqa n LYS 326 Ca -0.00 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1fqa n LYS 326 Cb 0.32 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1fqa n LYS 326 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fqa n GLY 327 N 1.37 1.22 2.98 0.72 0.00 -0.43 -4.52 105.19 106.53 1fqa n GLY 327 Ca 0.04 -1.88 -0.18 0.00 0.00 0.00 0.00 46.02 43.99 1fqa n GLY 327 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fqa s GLU 328 N 2.25 0.66 0.37 1.61 0.41 -0.53 -4.90 118.70 118.57 1fqa s GLU 328 Ca 0.00 -0.24 -0.28 0.00 -0.41 0.00 0.00 54.97 54.04 1fqa s GLU 328 Cb 0.00 -0.65 -0.11 0.00 -1.78 0.00 0.00 34.13 31.59 1fqa s GLU 328 CO 0.00 0.11 1.51 0.42 -0.49 0.00 0.00 175.26 176.81 1fqa s ILE 329 N 0.04 2.03 0.07 -1.63 -1.09 -1.26 -0.05 121.20 119.32 1fqa s ILE 329 Ca -0.00 0.03 -0.31 0.00 -2.23 0.00 0.00 60.65 58.14 1fqa s ILE 329 Cb -0.05 -3.02 -0.08 0.00 -1.58 0.00 0.00 42.46 37.73 1fqa s ILE 329 CO -0.00 0.01 1.54 -0.04 -1.23 0.00 0.00 174.94 175.22 1fqa s MET 330 N -1.89 4.24 0.28 2.79 -1.94 -0.77 -4.72 119.30 117.29 1fqa s MET 330 Ca 0.54 2.21 -0.30 0.00 -1.71 0.00 0.00 55.69 56.43 1fqa s MET 330 Cb -0.47 -3.47 -0.12 0.00 2.01 0.00 0.00 34.83 32.77 1fqa s MET 330 CO 0.61 -0.63 1.52 -2.30 -0.01 0.00 0.00 175.02 174.21 1fqa n PRO 331 N 5.06 2.46 -1.17 2.03 -0.02 -1.26 -4.76 135.00 137.33 1fqa n PRO 331 Ca 0.14 0.87 -0.24 0.00 -2.02 0.00 0.00 63.50 62.26 1fqa n PRO 331 Cb 0.41 -2.60 0.15 0.00 -0.02 0.00 0.00 33.50 31.44 1fqa n PRO 331 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1fqa n ASN 332 N 2.03 4.28 -4.86 2.55 6.94 -1.26 -4.80 115.26 120.13 1fqa n ASN 332 Ca 0.09 -3.54 -0.22 0.00 -0.02 0.00 0.00 54.58 50.89 1fqa n ASN 332 Cb 0.35 -0.84 -0.04 0.00 -2.36 0.00 0.00 39.78 36.89 1fqa n ASN 332 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1fqa s ILE 333 N -3.31 4.69 0.41 1.53 -4.36 -1.26 -4.19 121.20 114.71 1fqa s ILE 333 Ca 0.55 -1.23 0.11 0.00 -0.26 0.00 0.00 60.65 59.82 1fqa s ILE 333 Cb 0.45 -3.52 0.32 0.00 1.25 0.00 0.00 42.46 40.97 1fqa s ILE 333 CO 0.09 -0.30 1.96 -0.65 0.24 0.00 0.00 174.94 176.28 1fqa h PRO 334 N 1.55 0.51 0.00 0.37 0.11 -1.96 -2.18 132.00 130.40 1fqa h PRO 334 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1fqa h PRO 334 Cb 1.23 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1fqa h PRO 334 CO 0.61 0.33 0.00 1.96 -0.21 0.00 0.00 178.00 180.70 1fqa h GLN 335 N 0.52 0.00 0.00 1.05 7.50 -1.97 -2.68 115.11 119.53 1fqa h GLN 335 Ca 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.43 1fqa h GLN 335 Cb 0.49 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.02 1fqa h GLN 335 CO -0.09 0.00 -0.11 1.98 -1.50 0.00 0.00 178.83 179.10 1fqa h MET 336 N 0.00 0.00 -0.28 1.46 4.05 -1.70 -1.32 114.93 117.14 1fqa h MET 336 Ca 0.00 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 1fqa h MET 336 Cb 0.23 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 1fqa h MET 336 CO 0.00 0.11 -0.04 1.03 0.23 0.00 0.00 176.91 178.24 1fqa h SER 337 N 0.00 0.51 -0.87 1.39 0.87 -1.68 -1.56 113.55 112.21 1fqa h SER 337 Ca -0.00 -0.34 0.06 0.00 -1.23 0.00 0.00 61.79 60.28 1fqa h SER 337 Cb 0.25 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 1fqa h SER 337 CO 0.01 0.74 0.57 0.00 -0.53 0.00 0.00 176.83 177.62 1fqa h ALA 338 N 0.79 1.53 0.27 6.23 0.00 -1.43 -2.22 119.26 124.45 1fqa h ALA 338 Ca 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1fqa h ALA 338 Cb 0.50 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1fqa h ALA 338 CO 0.02 0.34 -0.13 0.35 0.00 0.00 0.00 179.25 179.83 1fqa h PHE 339 N 0.99 -0.34 -0.16 0.00 3.57 -0.99 -1.06 116.94 118.95 1fqa h PHE 339 Ca 0.37 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.91 1fqa h PHE 339 Cb 0.18 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.98 1fqa h PHE 339 CO -0.00 -0.18 -0.16 -1.49 -2.23 0.00 0.00 178.31 174.25 1fqa h TRP 340 N -0.41 -0.40 -0.47 0.41 -0.00 -0.75 0.08 115.95 114.40 1fqa h TRP 340 Ca -0.04 0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 58.82 1fqa h TRP 340 Cb 0.31 0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 29.66 1fqa h TRP 340 CO -0.05 -0.23 0.06 1.88 -0.00 0.00 0.00 178.44 180.11 1fqa h TYR 341 N -0.18 0.84 -0.47 0.49 0.05 -1.41 0.70 116.97 117.00 1fqa h TYR 341 Ca 0.11 -0.12 -0.06 0.00 0.05 0.00 0.00 58.73 58.70 1fqa h TYR 341 Cb 0.34 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 1fqa h TYR 341 CO -0.29 0.79 0.04 0.00 -1.05 0.00 0.00 178.16 177.65 1fqa h ALA 342 N 0.95 0.63 -0.08 3.88 0.00 -1.01 -2.62 119.26 121.00 1fqa h ALA 342 Ca 0.14 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1fqa h ALA 342 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1fqa h ALA 342 CO 0.01 0.39 -0.72 0.28 0.00 0.00 0.00 179.25 179.21 1fqa h VAL 343 N 0.66 1.38 -0.83 0.00 2.07 -0.94 -1.95 116.25 116.65 1fqa h VAL 343 Ca 0.14 -2.13 0.03 0.00 0.82 0.00 0.00 66.70 65.56 1fqa h VAL 343 Cb 0.44 2.10 -0.05 0.00 -1.52 0.00 0.00 31.29 32.27 1fqa h VAL 343 CO 0.02 0.64 0.54 -0.09 0.02 0.00 0.00 177.57 178.69 1fqa h ARG 344 N 0.27 1.02 -0.28 1.57 2.43 -0.76 -1.27 114.38 117.37 1fqa h ARG 344 Ca -0.03 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.00 1fqa h ARG 344 Cb 1.30 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1fqa h ARG 344 CO 0.12 0.68 -0.14 1.15 -1.51 0.00 0.00 179.97 180.26 1fqa h THR 345 N 1.05 1.30 -0.31 0.20 2.02 -1.39 -2.40 112.91 113.38 1fqa h THR 345 Ca 0.33 -1.24 0.04 0.00 0.77 0.00 0.00 66.41 66.30 1fqa h THR 345 Cb -0.01 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1fqa h THR 345 CO -0.11 0.39 0.09 0.00 0.37 0.00 0.00 175.52 176.27 1fqa h ALA 346 N 0.74 0.34 -0.30 6.16 0.00 -0.86 0.07 119.26 125.42 1fqa h ALA 346 Ca 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1fqa h ALA 346 Cb 0.66 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1fqa h ALA 346 CO 0.04 -0.31 0.06 0.28 0.00 0.00 0.00 179.25 179.32 1fqa h VAL 347 N 0.22 1.23 -0.05 0.00 2.07 -1.26 0.07 116.25 118.53 1fqa h VAL 347 Ca 0.14 -0.78 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1fqa h VAL 347 Cb 0.12 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1fqa h VAL 347 CO -0.16 0.26 0.01 0.40 0.02 0.00 0.00 177.57 178.10 1fqa h ILE 348 N 0.32 0.98 -0.61 4.57 2.04 -1.23 0.09 117.51 123.67 1fqa h ILE 348 Ca 0.09 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 1fqa h ILE 348 Cb 0.33 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1fqa h ILE 348 CO 0.00 0.01 0.24 0.78 0.00 0.00 0.00 178.15 179.18 1fqa h ASN 349 N 0.04 0.85 -0.52 1.72 2.35 -0.91 -0.70 115.58 118.40 1fqa h ASN 349 Ca 0.02 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.51 1fqa h ASN 349 Cb 0.01 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1fqa h ASN 349 CO -0.03 0.79 -0.01 0.00 -1.65 0.00 0.00 177.43 176.53 1fqa h ALA 350 N 1.09 0.92 -0.10 -0.83 0.00 -0.82 -0.54 119.26 118.98 1fqa h ALA 350 Ca 0.20 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1fqa h ALA 350 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1fqa h ALA 350 CO -0.02 0.64 -0.55 0.00 0.00 0.00 0.00 179.25 179.32 1fqa h ALA 351 N 1.08 0.88 0.00 0.00 0.00 -0.74 -3.11 119.26 117.38 1fqa h ALA 351 Ca 0.16 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1fqa h ALA 351 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1fqa h ALA 351 CO 0.03 0.69 -0.51 0.66 0.00 0.00 0.00 179.25 180.12 1fqa h SER 352 N 0.22 0.00 0.00 0.00 4.64 -1.00 -3.45 113.55 113.96 1fqa h SER 352 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1fqa h SER 352 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1fqa h SER 352 CO 0.09 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 1fqa n GLY 353 N 1.18 0.54 0.31 -0.77 0.00 -0.34 -4.96 105.19 101.14 1fqa n GLY 353 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 1fqa n GLY 353 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fqa h ARG 354 N 4.82 1.04 -5.82 1.61 3.08 -1.49 -3.43 114.38 114.19 1fqa h ARG 354 Ca 0.00 -0.07 -0.50 0.00 0.07 0.00 0.00 59.98 59.48 1fqa h ARG 354 Cb 0.00 -0.23 -0.18 0.00 0.08 0.00 0.00 29.97 29.64 1fqa h ARG 354 CO 0.00 0.70 -0.78 -0.65 -1.07 0.00 0.00 179.97 178.17 1fqa s GLN 355 N -6.10 1.22 0.69 0.04 -0.21 -1.06 -5.02 119.66 109.21 1fqa s GLN 355 Ca -0.13 -1.37 -0.10 0.00 0.02 0.00 0.00 55.36 53.78 1fqa s GLN 355 Cb 0.15 -1.24 0.02 0.00 1.00 0.00 0.00 33.01 32.95 1fqa s GLN 355 CO 0.79 0.25 1.06 0.95 -2.12 0.00 0.00 175.29 176.21 1fqa s THR 356 N -2.08 3.30 0.16 -0.19 -4.23 -1.26 -4.01 115.64 107.32 1fqa s THR 356 Ca 0.14 0.28 -0.15 0.00 -1.18 0.00 0.00 61.69 60.78 1fqa s THR 356 Cb -0.05 -3.39 0.04 0.00 1.34 0.00 0.00 72.50 70.43 1fqa s THR 356 CO 0.06 -0.49 1.76 0.58 -0.54 0.00 0.00 174.62 175.99 1fqa h VAL 357 N -0.59 0.91 -0.44 2.29 2.07 -1.96 -0.30 116.25 118.24 1fqa h VAL 357 Ca -0.45 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1fqa h VAL 357 Cb 1.27 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1fqa h VAL 357 CO 0.63 0.06 0.28 0.44 0.02 0.00 0.00 177.57 179.00 1fqa h ASP 358 N 0.35 0.51 -0.20 0.57 5.19 -1.96 -1.75 116.42 119.13 1fqa h ASP 358 Ca 0.19 -0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1fqa h ASP 358 Cb 0.14 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 1fqa h ASP 358 CO -0.17 0.39 0.04 -0.33 -3.12 0.00 0.00 179.24 176.05 1fqa h GLU 359 N 0.58 0.32 -0.23 3.56 5.08 -1.88 -1.61 114.58 120.41 1fqa h GLU 359 Ca 0.16 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1fqa h GLU 359 Cb -0.04 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1fqa h GLU 359 CO -0.03 0.47 -0.02 0.00 -1.00 0.00 0.00 179.01 178.42 1fqa h ALA 360 N 0.84 0.19 -0.11 3.43 0.00 -0.89 -1.41 119.26 121.31 1fqa h ALA 360 Ca 0.06 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 1fqa h ALA 360 Cb 0.30 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1fqa h ALA 360 CO 0.00 -0.44 -0.72 -0.07 0.00 0.00 0.00 179.25 178.02 1fqa h LEU 361 N 0.04 0.60 -0.27 0.00 3.38 -1.34 -2.34 115.31 115.38 1fqa h LEU 361 Ca 0.11 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1fqa h LEU 361 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1fqa h LEU 361 CO -0.21 1.14 0.16 0.50 0.09 0.00 0.00 178.44 180.12 1fqa h LYS 362 N 0.35 0.37 -0.51 1.13 3.64 -1.13 0.19 116.57 120.62 1fqa h LYS 362 Ca -0.03 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 1fqa h LYS 362 Cb 1.31 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.03 1fqa h LYS 362 CO 0.13 0.30 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.15 1fqa h ASP 363 N 0.34 0.85 -0.17 4.20 3.32 -1.28 -1.08 116.42 122.60 1fqa h ASP 363 Ca 0.10 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1fqa h ASP 363 Cb 0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1fqa h ASP 363 CO -0.02 0.93 0.04 0.00 -1.72 0.00 0.00 179.24 178.47 1fqa h ALA 364 N 1.16 0.22 0.19 3.45 0.00 -1.14 -2.26 119.26 120.87 1fqa h ALA 364 Ca 0.15 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1fqa h ALA 364 Cb 0.52 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1fqa h ALA 364 CO 0.03 -0.14 -0.25 0.37 0.00 0.00 0.00 179.25 179.26 1fqa h GLN 365 N 0.07 -0.48 -0.30 0.00 5.75 -0.81 -0.30 115.11 119.04 1fqa h GLN 365 Ca 0.05 0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.66 1fqa h GLN 365 Cb 0.27 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.91 1fqa h GLN 365 CO 0.00 -0.32 0.21 1.15 -2.65 0.00 0.00 178.83 177.23 1fqa h THR 366 N -0.50 0.88 0.10 2.39 2.02 -1.19 -1.63 112.91 114.99 1fqa h THR 366 Ca 0.01 -0.02 -0.18 0.00 0.77 0.00 0.00 66.41 66.99 1fqa h THR 366 Cb 0.49 0.82 0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1fqa h THR 366 CO -0.10 0.01 -0.78 0.03 0.37 0.00 0.00 175.52 175.05 1fqa h ARG 367 N 0.05 0.35 -0.39 6.66 3.08 -0.91 -3.30 114.38 119.92 1fqa h ARG 367 Ca 0.14 -0.51 -0.05 0.00 0.07 0.00 0.00 59.98 59.63 1fqa h ARG 367 Cb 0.50 0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1fqa h ARG 367 CO -0.01 1.21 0.02 0.82 -1.07 0.00 0.00 179.97 180.94 1fqa h ILE 368 N -0.27 1.21 -0.05 2.04 2.04 -0.46 -2.71 117.51 119.31 1fqa h ILE 368 Ca -0.13 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1fqa h ILE 368 Cb 1.57 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1fqa h ILE 368 CO 0.15 0.29 0.00 0.35 0.00 0.00 0.00 178.15 178.94 1fqa n THR 369 N -4.26 0.07 0.43 -0.27 -2.24 -0.67 -4.94 114.28 102.40 1fqa n THR 369 Ca 0.02 -0.14 0.03 0.00 -2.27 0.00 0.00 64.05 61.70 1fqa n THR 369 Cb 0.25 -0.02 0.20 0.00 -2.10 0.00 0.00 70.33 68.67 1fqa n THR 369 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79