#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qoa s THR 2 N 0.00 1.18 0.13 0.00 2.01 -1.26 -1.28 115.64 116.43 1qoa s THR 2 Ca 0.00 -0.42 0.06 0.00 0.31 0.00 0.00 61.69 61.64 1qoa s THR 2 Cb 0.00 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 1qoa s THR 2 CO 0.00 0.39 0.01 -0.36 -0.69 0.00 0.00 174.62 173.97 1qoa s PHE 3 N 1.35 2.94 -0.15 4.92 0.08 0.74 -4.86 117.98 123.00 1qoa s PHE 3 Ca -0.01 -0.07 -0.21 0.00 0.12 0.00 0.00 56.93 56.76 1qoa s PHE 3 Cb -0.14 -1.47 -0.03 0.00 -0.57 0.00 0.00 43.02 40.81 1qoa s PHE 3 CO -0.05 0.50 0.61 0.21 -0.10 0.00 0.00 175.22 176.39 1qoa s LYS 4 N -2.65 4.29 -0.13 0.44 2.20 -1.26 0.97 119.74 123.60 1qoa s LYS 4 Ca 0.27 0.64 0.01 0.00 -0.36 0.00 0.00 55.97 56.54 1qoa s LYS 4 Cb -0.11 -3.52 0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1qoa s LYS 4 CO 0.19 -0.08 -0.17 0.08 -0.36 0.00 0.00 175.35 175.01 1qoa s VAL 5 N 1.36 1.68 -0.26 4.02 1.01 0.15 -1.10 120.40 127.27 1qoa s VAL 5 Ca 0.30 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 1qoa s VAL 5 Cb -0.16 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1qoa s VAL 5 CO 0.12 0.48 0.15 -0.89 0.00 0.00 0.00 175.10 174.95 1qoa s THR 6 N 1.13 5.06 -0.26 3.92 2.01 -0.26 -0.65 115.64 126.58 1qoa s THR 6 Ca -0.02 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 61.97 1qoa s THR 6 Cb -0.14 -3.38 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 1qoa s THR 6 CO -0.05 0.31 0.13 -0.76 -0.69 0.00 0.00 174.62 173.56 1qoa s LEU 7 N 1.44 3.77 -0.17 4.42 1.43 0.10 -0.99 118.68 128.68 1qoa s LEU 7 Ca 0.07 -0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1qoa s LEU 7 Cb -0.15 -2.03 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 1qoa s LEU 7 CO 0.07 -0.03 -0.13 -0.63 0.23 0.00 0.00 176.35 175.86 1qoa s ILE 8 N 1.61 2.83 -0.63 -0.59 1.01 -0.09 -1.02 121.20 124.32 1qoa s ILE 8 Ca 0.07 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 59.92 1qoa s ILE 8 Cb -0.15 -2.22 0.16 0.00 0.01 0.00 0.00 42.46 40.26 1qoa s ILE 8 CO 0.07 0.50 0.51 0.21 0.00 0.00 0.00 174.94 176.22 1qoa s ASN 9 N 0.99 5.91 0.17 3.58 3.84 -0.37 -1.10 114.94 127.97 1qoa s ASN 9 Ca -0.02 -2.41 -0.19 0.00 0.21 0.00 0.00 52.86 50.45 1qoa s ASN 9 Cb -0.15 -2.04 0.10 0.00 -0.55 0.00 0.00 41.25 38.61 1qoa s ASN 9 CO -0.02 -0.57 1.63 -0.33 -2.79 0.00 0.00 177.10 175.02 1qoa h GLU 10 N 7.87 -0.12 -0.23 0.43 5.08 -1.84 0.36 114.58 126.13 1qoa h GLU 10 Ca -0.07 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1qoa h GLU 10 Cb 1.03 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1qoa h GLU 10 CO 0.80 -0.08 0.00 0.00 -1.00 0.00 0.00 179.01 178.73 1qoa h ALA 11 N 1.14 1.58 -0.02 3.43 0.00 -1.93 -2.64 119.26 120.81 1qoa h ALA 11 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qoa h ALA 11 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1qoa h ALA 11 CO -0.48 0.31 -0.35 0.39 0.00 0.00 0.00 179.25 179.13 1qoa n GLU 12 N -4.35 1.49 -3.60 0.00 1.02 -0.96 -4.96 120.64 109.28 1qoa n GLU 12 Ca 0.00 -1.12 -0.24 0.00 -0.02 0.00 0.00 57.16 55.79 1qoa n GLU 12 Cb 0.20 -1.42 0.08 0.00 -0.02 0.00 0.00 31.44 30.27 1qoa n GLU 12 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qoa n GLY 13 N 1.32 -0.52 3.69 0.62 0.00 0.12 -5.01 105.19 105.41 1qoa n GLY 13 Ca 0.09 0.24 -0.25 0.00 0.00 0.00 0.00 46.02 46.10 1qoa n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qoa s THR 14 N -3.33 3.82 -0.03 2.61 -4.23 -0.90 -4.97 115.64 108.61 1qoa s THR 14 Ca 0.53 -1.49 -0.01 0.00 -1.18 0.00 0.00 61.69 59.54 1qoa s THR 14 Cb -0.24 -2.96 0.03 0.00 1.34 0.00 0.00 72.50 70.67 1qoa s THR 14 CO 0.74 -0.19 0.06 -0.75 -0.54 0.00 0.00 174.62 173.94 1qoa s LYS 15 N -3.21 -0.01 -0.04 3.99 2.20 -1.26 -1.24 119.74 120.17 1qoa s LYS 15 Ca 0.29 0.26 0.03 0.00 -0.36 0.00 0.00 55.97 56.19 1qoa s LYS 15 Cb -0.09 -0.26 0.00 0.00 -1.51 0.00 0.00 37.83 35.98 1qoa s LYS 15 CO 0.20 -0.19 -0.13 -1.01 -0.36 0.00 0.00 175.35 173.86 1qoa s HIS 16 N 1.23 1.35 -0.23 4.03 3.76 -0.18 -4.97 115.29 120.28 1qoa s HIS 16 Ca -0.07 -0.37 -0.07 0.00 -0.15 0.00 0.00 55.06 54.39 1qoa s HIS 16 Cb -0.13 -0.93 -0.03 0.00 1.11 0.00 0.00 32.58 32.60 1qoa s HIS 16 CO -0.04 -0.14 0.07 -2.00 -0.85 0.00 0.00 174.74 171.78 1qoa s GLU 17 N 0.12 3.74 0.24 1.40 2.56 -1.26 0.02 118.70 125.53 1qoa s GLU 17 Ca -0.04 -0.44 0.08 0.00 0.00 0.00 0.00 54.97 54.56 1qoa s GLU 17 Cb -0.10 -3.29 -0.05 0.00 2.00 0.00 0.00 34.13 32.69 1qoa s GLU 17 CO 0.01 -0.06 -0.11 0.96 -0.56 0.00 0.00 175.26 175.50 1qoa s ILE 18 N 1.28 1.75 -0.16 -3.70 -4.36 0.17 -4.98 121.20 111.19 1qoa s ILE 18 Ca 0.05 -2.19 -0.02 0.00 -0.26 0.00 0.00 60.65 58.23 1qoa s ILE 18 Cb -0.15 -2.25 -0.02 0.00 1.25 0.00 0.00 42.46 41.30 1qoa s ILE 18 CO 0.03 -0.45 -0.08 -1.61 0.24 0.00 0.00 174.94 173.08 1qoa s GLU 19 N -3.67 3.46 -0.09 0.37 0.41 -1.26 -0.67 118.70 117.24 1qoa s GLU 19 Ca 0.26 -0.62 0.03 0.00 -0.41 0.00 0.00 54.97 54.23 1qoa s GLU 19 Cb 0.01 -2.82 0.01 0.00 -1.78 0.00 0.00 34.13 29.55 1qoa s GLU 19 CO 0.10 0.10 -0.19 0.08 -0.49 0.00 0.00 175.26 174.86 1qoa s VAL 20 N 0.68 1.70 0.59 2.63 1.01 0.27 -4.91 120.40 122.37 1qoa s VAL 20 Ca -0.04 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 60.95 1qoa s VAL 20 Cb -0.15 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 1qoa s VAL 20 CO 0.02 0.48 1.22 -2.84 0.00 0.00 0.00 175.10 173.99 1qoa s PRO 21 N 0.57 2.95 0.00 2.72 0.02 -1.26 -0.18 135.00 139.81 1qoa s PRO 21 Ca -0.15 1.87 0.09 0.00 0.02 0.00 0.00 61.00 62.83 1qoa s PRO 21 Cb -0.17 -1.94 0.38 0.00 0.02 0.00 0.00 34.50 32.79 1qoa s PRO 21 CO 0.05 -1.24 1.26 -0.40 -0.33 0.00 0.00 177.00 176.34 1qoa n ASP 22 N -1.58 0.00 -0.57 2.53 5.68 -0.40 -1.85 116.55 120.35 1qoa n ASP 22 Ca 0.14 0.44 0.07 0.00 -0.50 0.00 0.00 54.79 54.94 1qoa n ASP 22 Cb 0.49 -0.46 0.17 0.00 -1.14 0.00 0.00 41.12 40.18 1qoa n ASP 22 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1qoa n ASP 23 N -1.46 3.10 -4.30 -1.12 5.68 -1.26 -4.75 116.55 112.43 1qoa n ASP 23 Ca 0.02 -2.55 -0.29 0.00 -0.50 0.00 0.00 54.79 51.48 1qoa n ASP 23 Cb 0.10 -0.35 -0.15 0.00 -1.14 0.00 0.00 41.12 39.57 1qoa n ASP 23 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1qoa s GLU 24 N -1.97 1.83 0.47 0.11 2.12 -0.77 -5.12 118.70 115.37 1qoa s GLU 24 Ca 0.29 -0.97 -0.22 0.00 0.36 0.00 0.00 54.97 54.43 1qoa s GLU 24 Cb 0.21 -1.88 -0.07 0.00 0.26 0.00 0.00 34.13 32.65 1qoa s GLU 24 CO 0.09 0.50 1.13 0.71 -0.54 0.00 0.00 175.26 177.15 1qoa s TYR 25 N -0.69 2.92 0.17 5.30 2.02 -1.26 -4.53 117.35 121.28 1qoa s TYR 25 Ca 0.10 1.56 -0.15 0.00 -0.37 0.00 0.00 57.07 58.21 1qoa s TYR 25 Cb -0.09 -3.29 0.13 0.00 -0.40 0.00 0.00 41.96 38.30 1qoa s TYR 25 CO 0.01 -1.31 1.71 0.82 -1.57 0.00 0.00 175.55 175.20 1qoa h ILE 26 N 1.78 0.73 -0.43 2.71 2.04 -0.89 -2.51 117.51 120.94 1qoa h ILE 26 Ca -0.49 -0.05 0.08 0.00 1.00 0.00 0.00 64.86 65.40 1qoa h ILE 26 Cb 1.24 0.55 -0.08 0.00 -0.74 0.00 0.00 36.82 37.80 1qoa h ILE 26 CO 0.60 0.03 -0.07 0.25 0.00 0.00 0.00 178.15 178.96 1qoa h LEU 27 N 0.16 -0.31 -0.37 1.44 5.85 -1.67 -1.26 115.31 119.14 1qoa h LEU 27 Ca 0.21 0.12 0.03 0.00 0.84 0.00 0.00 57.88 59.08 1qoa h LEU 27 Cb 0.28 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1qoa h LEU 27 CO -0.31 -0.11 0.17 0.44 -0.34 0.00 0.00 178.44 178.30 1qoa h ASP 28 N 0.04 0.25 -0.63 1.25 3.32 -1.76 -2.15 116.42 116.74 1qoa h ASP 28 Ca 0.21 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1qoa h ASP 28 Cb 0.32 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 1qoa h ASP 28 CO -0.41 0.18 0.28 0.00 -1.72 0.00 0.00 179.24 177.57 1qoa h ALA 29 N 1.20 0.81 -0.62 3.45 0.00 -1.12 -1.46 119.26 121.51 1qoa h ALA 29 Ca 0.16 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1qoa h ALA 29 Cb 0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 1qoa h ALA 29 CO -0.12 0.40 0.34 0.00 0.00 0.00 0.00 179.25 179.87 1qoa h ALA 30 N 1.12 0.82 -0.23 0.00 0.00 -0.92 -0.48 119.26 119.57 1qoa h ALA 30 Ca 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1qoa h ALA 30 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1qoa h ALA 30 CO -0.02 0.01 0.09 0.93 0.00 0.00 0.00 179.25 180.26 1qoa h GLU 31 N 0.63 0.34 -0.64 0.00 5.08 -1.15 0.10 114.58 118.95 1qoa h GLU 31 Ca 0.28 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1qoa h GLU 31 Cb 0.17 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 1qoa h GLU 31 CO -0.18 0.38 0.42 0.93 -1.00 0.00 0.00 179.01 179.57 1qoa h GLU 32 N 0.22 0.59 -0.16 2.33 5.08 -0.91 0.18 114.58 121.90 1qoa h GLU 32 Ca 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1qoa h GLU 32 Cb 0.17 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1qoa h GLU 32 CO -0.01 0.39 0.00 1.04 -1.00 0.00 0.00 179.01 179.43 1qoa n GLN 33 N -4.48 1.64 0.00 2.33 6.02 -0.22 -4.93 117.38 117.74 1qoa n GLN 33 Ca 0.09 -0.97 0.00 0.00 -0.01 0.00 0.00 57.00 56.12 1qoa n GLN 33 Cb 0.26 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.16 1qoa n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qoa n GLY 34 N 1.07 0.83 3.10 1.08 0.00 0.05 -5.05 105.19 106.27 1qoa n GLY 34 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1qoa n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qoa s TYR 35 N -2.00 3.27 0.17 1.61 2.02 0.27 -4.99 117.35 117.71 1qoa s TYR 35 Ca 0.00 -2.22 -0.30 0.00 -0.37 0.00 0.00 57.07 54.18 1qoa s TYR 35 Cb 0.00 -1.98 -0.07 0.00 -0.40 0.00 0.00 41.96 39.51 1qoa s TYR 35 CO 0.00 -0.86 0.99 -0.51 -1.57 0.00 0.00 175.55 173.60 1qoa s ASP 36 N 1.14 7.48 0.16 2.29 1.01 -1.26 -3.17 116.67 124.31 1qoa s ASP 36 Ca -0.08 1.94 0.07 0.00 0.71 0.00 0.00 52.55 55.19 1qoa s ASP 36 Cb -0.20 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.09 1qoa s ASP 36 CO -0.04 -0.04 -0.16 -0.76 0.21 0.00 0.00 175.17 174.38 1qoa s LEU 37 N -0.53 2.45 0.46 1.23 1.43 -1.26 -5.06 118.68 117.40 1qoa s LEU 37 Ca 0.46 -0.87 -0.23 0.00 -1.03 0.00 0.00 54.13 52.45 1qoa s LEU 37 Cb -0.26 -0.70 -0.07 0.00 0.03 0.00 0.00 46.19 45.18 1qoa s LEU 37 CO 0.32 -0.10 1.18 -2.16 0.23 0.00 0.00 176.35 175.83 1qoa s PRO 38 N -2.91 3.76 0.14 1.29 0.04 -1.26 -5.02 135.00 131.04 1qoa s PRO 38 Ca 0.15 1.82 -0.25 0.00 0.04 0.00 0.00 61.00 62.76 1qoa s PRO 38 Cb -0.04 -2.44 0.07 0.00 0.04 0.00 0.00 34.50 32.12 1qoa s PRO 38 CO 0.05 -0.56 0.80 -0.59 0.04 0.00 0.00 177.00 176.74 1qoa s PHE 39 N -1.51 -0.29 0.00 0.56 -0.71 -1.26 -4.00 117.98 110.77 1qoa s PHE 39 Ca 0.63 0.02 0.00 0.00 -1.04 0.00 0.00 56.93 56.54 1qoa s PHE 39 Cb -0.30 0.61 0.00 0.00 -1.21 0.00 0.00 43.02 42.12 1qoa s PHE 39 CO 0.36 -0.85 0.00 0.45 -1.34 0.00 0.00 175.22 173.84 1qoa n SER 40 N -0.39 0.00 -0.07 1.98 2.88 -1.26 -4.94 113.62 111.82 1qoa n SER 40 Ca -0.09 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.39 1qoa n SER 40 Cb 0.62 0.02 0.13 0.00 -0.75 0.00 0.00 64.21 64.23 1qoa n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qoa n ARG 42 N -4.14 -1.59 -0.18 0.00 1.74 -1.26 -4.83 116.66 106.40 1qoa n ARG 42 Ca 0.01 1.07 0.00 0.00 -0.77 0.00 0.00 57.85 58.15 1qoa n ARG 42 Cb 0.40 -5.64 0.00 0.00 -1.02 0.00 0.00 32.46 26.20 1qoa n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qoa n ALA 43 N -1.06 1.44 -1.83 7.54 0.00 -1.26 -4.91 120.51 120.43 1qoa n ALA 43 Ca -0.24 -0.76 -0.09 0.00 0.00 0.00 0.00 53.44 52.36 1qoa n ALA 43 Cb 0.68 -0.19 -0.02 0.00 0.00 0.00 0.00 19.45 19.93 1qoa n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qoa n GLY 44 N -0.06 0.39 0.10 0.00 0.00 -1.26 -4.77 105.19 99.59 1qoa n GLY 44 Ca 0.00 -0.57 0.07 0.00 0.00 0.00 0.00 46.02 45.52 1qoa n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qoa n ALA 45 N -0.48 2.16 -3.00 4.61 0.00 -1.26 -0.48 120.51 122.06 1qoa n ALA 45 Ca -0.10 -2.13 0.00 0.00 0.00 0.00 0.00 53.44 51.21 1qoa n ALA 45 Cb 0.47 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1qoa n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qoa n SER 47 N -1.08 0.94 -0.28 0.00 3.41 -1.26 -4.77 113.62 110.59 1qoa n SER 47 Ca 0.00 -0.98 0.05 0.00 -0.26 0.00 0.00 58.87 57.68 1qoa n SER 47 Cb 0.00 0.05 0.19 0.00 -0.26 0.00 0.00 64.21 64.19 1qoa n SER 47 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1qoa h THR 48 N 0.01 0.76 -0.36 6.66 2.02 -1.94 -2.52 112.91 117.53 1qoa h THR 48 Ca 0.00 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 1qoa h THR 48 Cb 0.00 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 1qoa h THR 48 CO 0.00 0.11 0.03 -1.54 0.37 0.00 0.00 175.52 174.49 1qoa n SER 49 N -4.88 3.79 -4.77 4.18 3.41 -1.26 -4.49 113.62 109.61 1qoa n SER 49 Ca 0.15 -2.59 -0.39 0.00 -0.26 0.00 0.00 58.87 55.78 1qoa n SER 49 Cb 0.38 -0.62 -0.01 0.00 -0.26 0.00 0.00 64.21 63.70 1qoa n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qoa s ALA 50 N -2.04 3.17 0.26 7.33 0.00 -0.95 -0.85 121.76 128.67 1qoa s ALA 50 Ca 0.33 1.10 0.02 0.00 0.00 0.00 0.00 51.96 53.41 1qoa s ALA 50 Cb 0.25 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1qoa s ALA 50 CO 0.09 -0.71 0.19 0.20 0.00 0.00 0.00 175.76 175.53 1qoa s GLY 51 N -0.97 1.83 -0.07 0.00 0.00 0.43 -2.13 107.32 106.41 1qoa s GLY 51 Ca 0.58 -1.85 0.01 0.00 0.00 0.00 0.00 44.72 43.46 1qoa s GLY 51 CO 0.43 -1.45 -0.07 1.25 0.00 0.00 0.00 173.10 173.27 1qoa s LYS 52 N -3.87 1.23 0.17 2.90 2.20 0.10 -1.14 119.74 121.34 1qoa s LYS 52 Ca 0.39 -0.20 -0.31 0.00 -0.36 0.00 0.00 55.97 55.49 1qoa s LYS 52 Cb 0.05 -1.20 -0.09 0.00 -1.51 0.00 0.00 37.83 35.08 1qoa s LYS 52 CO 0.18 -0.12 1.38 -0.51 -0.36 0.00 0.00 175.35 175.92 1qoa s LEU 53 N 1.17 4.39 -0.27 5.43 1.43 0.36 -0.37 118.68 130.81 1qoa s LEU 53 Ca -0.06 2.43 -0.15 0.00 -1.03 0.00 0.00 54.13 55.32 1qoa s LEU 53 Cb -0.14 -3.60 -0.13 0.00 0.03 0.00 0.00 46.19 42.35 1qoa s LEU 53 CO -0.02 -0.62 -0.28 0.52 0.23 0.00 0.00 176.35 176.19 1qoa n VAL 54 N 3.17 1.53 -3.71 -1.59 0.31 0.05 -4.92 118.33 113.18 1qoa n VAL 54 Ca 0.09 -0.34 -0.10 0.00 -0.01 0.00 0.00 64.34 63.98 1qoa n VAL 54 Cb 0.42 -1.90 -0.06 0.00 -0.91 0.00 0.00 33.84 31.39 1qoa n VAL 54 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1qoa s SER 55 N -7.41 -0.14 0.00 4.52 1.04 -1.09 -4.97 113.70 105.66 1qoa s SER 55 Ca -0.37 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 55.70 1qoa s SER 55 Cb 0.14 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1qoa s SER 55 CO 0.51 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1qoa n GLY 56 N -0.01 -0.14 3.30 7.32 0.00 -1.26 -0.79 105.19 113.61 1qoa n GLY 56 Ca -0.16 -1.87 -0.16 0.00 0.00 0.00 0.00 46.02 43.82 1qoa n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qoa s THR 57 N -1.29 1.39 0.11 2.61 -4.23 -1.26 -4.94 115.64 108.03 1qoa s THR 57 Ca 0.00 -2.12 -0.00 0.00 -1.18 0.00 0.00 61.69 58.39 1qoa s THR 57 Cb 0.00 -1.97 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 1qoa s THR 57 CO 0.00 -0.65 0.01 0.68 -0.54 0.00 0.00 174.62 174.12 1qoa s VAL 58 N -3.19 0.28 -0.30 2.29 -7.23 -1.26 -1.51 120.40 109.48 1qoa s VAL 58 Ca 0.20 -1.90 -0.04 0.00 -1.81 0.00 0.00 61.98 58.43 1qoa s VAL 58 Cb 0.02 -1.87 0.03 0.00 0.56 0.00 0.00 36.38 35.12 1qoa s VAL 58 CO 0.04 -0.66 0.03 -0.62 -0.31 0.00 0.00 175.10 173.58 1qoa s ASP 59 N -3.03 4.92 -0.25 4.85 -1.08 0.23 -4.81 116.67 117.50 1qoa s ASP 59 Ca 0.18 -1.02 0.12 0.00 -0.52 0.00 0.00 52.55 51.30 1qoa s ASP 59 Cb 0.07 -1.78 0.45 0.00 -1.46 0.00 0.00 42.92 40.21 1qoa s ASP 59 CO -0.02 -0.23 1.18 0.00 0.52 0.00 0.00 175.17 176.62 1qoa n GLN 60 N 4.73 2.60 0.31 4.34 10.64 -1.26 -0.92 117.38 137.81 1qoa n GLN 60 Ca -0.14 -3.71 0.19 0.00 -1.83 0.00 0.00 57.00 51.51 1qoa n GLN 60 Cb 0.45 -1.87 1.01 0.00 -0.86 0.00 0.00 30.24 28.98 1qoa n GLN 60 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1qoa h SER 61 N 1.86 0.00 0.99 2.61 4.64 -1.93 0.19 113.55 121.91 1qoa h SER 61 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1qoa h SER 61 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1qoa h SER 61 CO 0.44 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.87 1qoa n ASP 62 N -3.24 0.37 -4.79 4.97 8.00 -1.26 -4.87 116.55 115.73 1qoa n ASP 62 Ca -0.02 0.55 -0.32 0.00 0.71 0.00 0.00 54.79 55.72 1qoa n ASP 62 Cb 0.21 -0.65 0.05 0.00 -0.02 0.00 0.00 41.12 40.71 1qoa n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qoa s GLN 63 N -3.09 2.84 0.00 -1.24 1.03 0.05 -4.80 119.66 114.45 1qoa s GLN 63 Ca 0.10 1.22 0.00 0.00 0.04 0.00 0.00 55.36 56.71 1qoa s GLN 63 Cb 0.13 -1.97 0.00 0.00 0.03 0.00 0.00 33.01 31.21 1qoa s GLN 63 CO 0.47 -1.20 0.00 -1.13 -2.54 0.00 0.00 175.29 170.89 1qoa n SER 64 N -2.69 0.00 0.14 12.60 3.41 0.37 -4.92 113.62 122.53 1qoa n SER 64 Ca 0.09 -0.10 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 1qoa n SER 64 Cb 0.53 0.02 -0.16 0.00 -0.26 0.00 0.00 64.21 64.34 1qoa n SER 64 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1qoa h PHE 65 N 0.00 0.99 -3.89 7.33 3.04 -1.75 -3.46 116.94 119.19 1qoa h PHE 65 Ca 0.00 -0.71 -0.48 0.00 3.98 0.00 0.00 57.97 60.76 1qoa h PHE 65 Cb 0.04 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 38.51 1qoa h PHE 65 CO 0.00 1.56 0.38 -0.51 -2.02 0.00 0.00 178.31 177.72 1qoa s LEU 66 N -7.63 4.33 0.67 0.59 1.43 -1.26 -5.04 118.68 111.78 1qoa s LEU 66 Ca -0.09 1.96 -0.02 0.00 -1.03 0.00 0.00 54.13 54.95 1qoa s LEU 66 Cb 0.04 -3.99 0.09 0.00 0.03 0.00 0.00 46.19 42.36 1qoa s LEU 66 CO 0.95 -0.19 0.94 1.51 0.23 0.00 0.00 176.35 179.79 1qoa s ASP 67 N -1.47 4.65 0.29 2.29 1.47 -1.26 -4.90 116.67 117.75 1qoa s ASP 67 Ca 0.51 -0.11 -0.00 0.00 1.18 0.00 0.00 52.55 54.13 1qoa s ASP 67 Cb -0.22 -0.46 0.49 0.00 -0.34 0.00 0.00 42.92 42.40 1qoa s ASP 67 CO 0.28 -1.63 1.92 0.44 0.68 0.00 0.00 175.17 176.85 1qoa h ASP 68 N -0.40 0.94 0.10 2.11 3.32 -1.99 -1.89 116.42 118.62 1qoa h ASP 68 Ca -0.40 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.53 1qoa h ASP 68 Cb 1.28 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 1qoa h ASP 68 CO 0.47 0.62 -0.43 0.44 -1.72 0.00 0.00 179.24 178.62 1qoa h ASP 69 N 1.07 0.43 0.12 6.45 3.32 -1.99 -0.61 116.42 125.21 1qoa h ASP 69 Ca 0.38 -0.19 -0.13 0.00 0.02 0.00 0.00 57.03 57.11 1qoa h ASP 69 Cb 0.13 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1qoa h ASP 69 CO -0.13 0.81 -0.45 1.56 -1.72 0.00 0.00 179.24 179.31 1qoa h GLN 70 N 0.33 0.40 -0.35 3.56 4.20 -1.75 -1.72 115.11 119.79 1qoa h GLN 70 Ca 0.03 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.46 1qoa h GLN 70 Cb 0.89 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 1qoa h GLN 70 CO 0.07 0.77 -0.02 0.82 -0.67 0.00 0.00 178.83 179.80 1qoa h ILE 71 N 0.33 1.27 -0.34 2.54 2.04 -1.11 -2.13 117.51 120.10 1qoa h ILE 71 Ca 0.02 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.83 1qoa h ILE 71 Cb 0.92 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1qoa h ILE 71 CO 0.08 0.34 0.08 -0.33 0.00 0.00 0.00 178.15 178.31 1qoa h GLU 72 N 0.43 0.50 0.00 2.37 5.08 -0.90 0.98 114.58 123.03 1qoa h GLU 72 Ca 0.10 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1qoa h GLU 72 Cb 0.49 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1qoa h GLU 72 CO 0.02 0.46 0.00 0.00 -1.00 0.00 0.00 179.01 178.50 1qoa n ALA 73 N -2.48 1.96 -0.18 3.43 0.00 -0.67 -4.86 120.51 117.72 1qoa n ALA 73 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1qoa n ALA 73 Cb 0.18 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1qoa n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qoa n GLY 74 N 0.10 0.89 3.77 0.00 0.00 0.34 -4.88 105.19 105.41 1qoa n GLY 74 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1qoa n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qoa s TYR 75 N -2.03 3.37 0.01 1.61 2.02 -0.84 -0.49 117.35 121.00 1qoa s TYR 75 Ca 0.00 1.63 0.00 0.00 -0.37 0.00 0.00 57.07 58.33 1qoa s TYR 75 Cb 0.00 -3.32 -0.01 0.00 -0.40 0.00 0.00 41.96 38.23 1qoa s TYR 75 CO 0.00 -0.85 -0.02 0.08 -1.57 0.00 0.00 175.55 173.19 1qoa s VAL 76 N -1.30 0.08 -0.50 0.71 1.01 -0.29 -4.55 120.40 115.56 1qoa s VAL 76 Ca 0.50 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 61.94 1qoa s VAL 76 Cb -0.31 -0.13 0.07 0.00 0.00 0.00 0.00 36.38 36.01 1qoa s VAL 76 CO 0.39 -0.18 0.51 -0.76 0.00 0.00 0.00 175.10 175.07 1qoa s LEU 77 N -0.56 5.34 0.56 3.92 1.43 -1.26 -0.43 118.68 127.68 1qoa s LEU 77 Ca -0.06 -1.17 0.37 0.00 -1.03 0.00 0.00 54.13 52.25 1qoa s LEU 77 Cb -0.04 -2.30 1.92 0.00 0.03 0.00 0.00 46.19 45.80 1qoa s LEU 77 CO -0.00 -0.78 2.13 0.71 0.23 0.00 0.00 176.35 178.63 1qoa h THR 78 N 5.81 0.00 0.00 5.49 1.35 -1.33 -2.60 112.91 121.63 1qoa h THR 78 Ca -0.28 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 1qoa h THR 78 Cb 1.10 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.50 1qoa h THR 78 CO 0.93 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.20 1qoa n VAL 80 N -3.08 1.16 -4.41 0.00 0.24 -0.99 -4.77 118.33 106.48 1qoa n VAL 80 Ca 0.01 -1.92 -0.34 0.00 -2.04 0.00 0.00 64.34 60.06 1qoa n VAL 80 Cb 0.34 0.24 -0.13 0.00 -1.47 0.00 0.00 33.84 32.82 1qoa n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qoa s ALA 81 N -1.72 2.91 -0.20 2.33 0.00 -1.16 -4.47 121.76 119.44 1qoa s ALA 81 Ca 0.30 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 51.28 1qoa s ALA 81 Cb 0.31 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 1qoa s ALA 81 CO -0.07 0.13 0.13 0.71 0.00 0.00 0.00 175.76 176.66 1qoa s TYR 82 N 0.52 3.41 0.39 0.00 2.02 -0.10 -0.48 117.35 123.11 1qoa s TYR 82 Ca -0.04 0.33 -0.26 0.00 -0.37 0.00 0.00 57.07 56.73 1qoa s TYR 82 Cb -0.15 -2.16 -0.09 0.00 -0.40 0.00 0.00 41.96 39.17 1qoa s TYR 82 CO 0.03 0.29 1.17 -1.25 -1.57 0.00 0.00 175.55 174.22 1qoa s PRO 83 N 0.38 4.09 0.00 -1.71 0.04 -1.26 0.76 135.00 137.30 1qoa s PRO 83 Ca 0.08 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1qoa s PRO 83 Cb -0.11 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1qoa s PRO 83 CO -0.02 -0.29 0.98 0.25 0.04 0.00 0.00 177.00 177.95 1qoa n THR 84 N 0.15 0.95 -3.85 1.26 -2.24 -0.57 -4.73 114.28 105.24 1qoa n THR 84 Ca 0.04 -0.97 -0.02 0.00 -2.27 0.00 0.00 64.05 60.83 1qoa n THR 84 Cb 0.46 0.52 0.01 0.00 -2.10 0.00 0.00 70.33 69.23 1qoa n THR 84 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qoa s SER 85 N -0.95 -0.03 0.35 3.42 1.04 -1.23 -4.87 113.70 111.43 1qoa s SER 85 Ca 0.00 -0.49 -0.28 0.00 0.48 0.00 0.00 55.95 55.67 1qoa s SER 85 Cb 0.00 0.40 -0.09 0.00 0.10 0.00 0.00 66.02 66.42 1qoa s SER 85 CO 0.00 -0.78 1.25 -1.81 0.98 0.00 0.00 173.24 172.88 1qoa s ASP 86 N -3.35 6.69 0.07 7.02 1.01 -1.26 -4.66 116.67 122.19 1qoa s ASP 86 Ca 0.21 2.55 0.04 0.00 0.71 0.00 0.00 52.55 56.06 1qoa s ASP 86 Cb -0.01 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 1qoa s ASP 86 CO 0.03 -0.58 -0.12 -0.69 0.21 0.00 0.00 175.17 174.03 1qoa s VAL 87 N -1.22 0.93 -0.13 -1.27 1.01 -0.26 -4.19 120.40 115.26 1qoa s VAL 87 Ca 0.52 -1.33 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1qoa s VAL 87 Cb -0.36 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.00 1qoa s VAL 87 CO 0.48 -0.35 -0.20 -0.69 0.00 0.00 0.00 175.10 174.34 1qoa s VAL 88 N -1.59 1.90 0.00 2.92 1.01 0.03 -1.10 120.40 123.56 1qoa s VAL 88 Ca -0.02 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 1qoa s VAL 88 Cb -0.08 -1.69 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 1qoa s VAL 88 CO 0.01 0.52 -0.00 -0.51 0.00 0.00 0.00 175.10 175.12 1qoa s ILE 89 N 0.84 0.00 -0.14 2.22 2.07 -0.17 -0.77 121.20 125.26 1qoa s ILE 89 Ca -0.08 -0.03 -0.21 0.00 -1.41 0.00 0.00 60.65 58.93 1qoa s ILE 89 Cb -0.15 -0.02 -0.03 0.00 0.13 0.00 0.00 42.46 42.38 1qoa s ILE 89 CO -0.01 -0.02 0.61 -1.10 -1.91 0.00 0.00 174.94 172.50 1qoa s GLN 90 N -0.05 4.30 0.65 3.50 -0.21 0.50 -0.92 119.66 127.43 1qoa s GLN 90 Ca -0.01 0.63 0.06 0.00 0.02 0.00 0.00 55.36 56.07 1qoa s GLN 90 Cb -0.00 -3.51 0.12 0.00 1.00 0.00 0.00 33.01 30.61 1qoa s GLN 90 CO -0.00 -0.06 0.90 0.95 -2.12 0.00 0.00 175.29 174.95 1qoa s THR 91 N 1.30 2.02 -1.38 -0.19 -4.23 -0.26 0.01 115.64 112.91 1qoa s THR 91 Ca 0.30 -0.87 -0.07 0.00 -1.18 0.00 0.00 61.69 59.88 1qoa s THR 91 Cb -0.16 -2.15 0.03 0.00 1.34 0.00 0.00 72.50 71.56 1qoa s THR 91 CO 0.12 0.00 0.94 1.41 -0.54 0.00 0.00 174.62 176.55 1qoa n HIS 92 N -2.51 -2.29 -0.54 3.99 8.25 -1.22 -4.70 115.22 116.19 1qoa n HIS 92 Ca 0.17 0.92 0.10 0.00 -0.26 0.00 0.00 57.72 58.64 1qoa n HIS 92 Cb 0.62 -4.50 0.32 0.00 1.12 0.00 0.00 29.99 27.55 1qoa n HIS 92 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1qoa n LYS 93 N -4.55 3.38 -0.34 -0.41 4.76 -0.91 -4.60 118.16 115.50 1qoa n LYS 93 Ca -0.12 -2.76 0.18 0.00 -2.87 0.00 0.00 58.31 52.75 1qoa n LYS 93 Cb 0.60 -1.75 0.39 0.00 -1.84 0.00 0.00 35.03 32.43 1qoa n LYS 93 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1qoa h GLU 94 N 3.80 0.53 -0.03 1.97 4.81 -1.76 -1.32 114.58 122.57 1qoa h GLU 94 Ca 0.00 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1qoa h GLU 94 Cb 1.28 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 1qoa h GLU 94 CO 0.16 0.35 0.02 0.93 -0.73 0.00 0.00 179.01 179.74 1qoa h GLU 95 N 0.54 0.00 0.00 1.92 5.08 -1.91 -3.11 114.58 117.10 1qoa h GLU 95 Ca 0.65 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.01 1qoa h GLU 95 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1qoa h GLU 95 CO -0.50 0.00 0.00 -0.44 -1.00 0.00 0.00 179.01 177.07 1qoa h ASP 96 N 0.00 0.00 0.21 1.42 5.19 -1.60 -3.03 116.42 118.62 1qoa h ASP 96 Ca 0.01 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 1qoa h ASP 96 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1qoa h ASP 96 CO -0.00 0.00 -0.10 -0.07 -3.12 0.00 0.00 179.24 175.95 1qoa h LEU 97 N 0.00 -0.24 0.00 1.55 3.38 -1.71 -3.54 115.31 114.75 1qoa h LEU 97 Ca 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1qoa h LEU 97 Cb 0.10 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1qoa h LEU 97 CO 0.00 0.21 0.00 -1.22 0.09 0.00 0.00 178.44 177.52