#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oqs s GLU 2 N 0.00 1.93 -0.69 2.12 -1.05 -1.26 -4.42 118.70 115.33 2oqs s GLU 2 Ca 0.00 -0.77 -0.17 0.00 -0.15 0.00 0.00 54.97 53.88 2oqs s GLU 2 Cb 0.00 -2.33 0.15 0.00 -0.44 0.00 0.00 34.13 31.51 2oqs s GLU 2 CO 0.00 -0.42 0.73 0.42 0.95 0.00 0.00 175.26 176.94 2oqs s ILE 3 N 1.44 5.11 -0.85 1.83 1.01 -0.62 -4.98 121.20 124.14 2oqs s ILE 3 Ca -0.01 -1.59 -0.19 0.00 0.00 0.00 0.00 60.65 58.86 2oqs s ILE 3 Cb -0.16 -4.49 0.13 0.00 0.01 0.00 0.00 42.46 37.95 2oqs s ILE 3 CO -0.08 -1.10 1.04 -0.54 0.00 0.00 0.00 174.94 174.26 2oqs s LYS 4 N 1.75 3.48 0.22 2.79 3.01 -1.26 -0.74 119.74 128.99 2oqs s LYS 4 Ca 0.14 -1.64 -0.16 0.00 -1.01 0.00 0.00 55.97 53.30 2oqs s LYS 4 Cb -0.19 -4.73 -0.08 0.00 -1.01 0.00 0.00 37.83 31.83 2oqs s LYS 4 CO -0.01 -1.72 0.65 -0.51 0.51 0.00 0.00 175.35 174.27 2oqs s LEU 5 N 2.69 4.27 0.39 3.17 1.43 0.12 -4.86 118.68 125.89 2oqs s LEU 5 Ca 0.28 1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 54.50 2oqs s LEU 5 Cb -0.09 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.48 2oqs s LEU 5 CO -0.05 -0.00 0.75 -0.63 0.23 0.00 0.00 176.35 176.65 2oqs s ILE 6 N -1.62 4.79 -0.21 -0.59 1.01 -1.26 0.23 121.20 123.54 2oqs s ILE 6 Ca 0.44 0.62 -0.03 0.00 0.00 0.00 0.00 60.65 61.67 2oqs s ILE 6 Cb -0.14 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.60 2oqs s ILE 6 CO 0.20 -0.47 -0.06 -0.75 0.00 0.00 0.00 174.94 173.85 2oqs s LYS 7 N -3.74 3.33 0.00 2.79 2.47 -0.93 -4.83 119.74 118.83 2oqs s LYS 7 Ca 0.51 -0.65 0.00 0.00 -1.56 0.00 0.00 55.97 54.27 2oqs s LYS 7 Cb -0.10 -2.95 0.00 0.00 -1.46 0.00 0.00 37.83 33.32 2oqs s LYS 7 CO 0.30 -0.19 0.00 0.41 0.16 0.00 0.00 175.35 176.03 2oqs n GLY 8 N 4.76 5.99 0.37 5.54 0.00 -1.26 -4.93 105.19 115.65 2oqs n GLY 8 Ca -0.19 -1.95 0.07 0.00 0.00 0.00 0.00 46.02 43.95 2oqs n GLY 8 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2oqs h PRO 9 N 0.00 0.87 0.15 1.61 0.11 -2.02 -3.10 132.00 129.63 2oqs h PRO 9 Ca 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 2oqs h PRO 9 Cb 0.00 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 30.92 2oqs h PRO 9 CO 0.00 0.58 -0.07 0.87 -0.21 0.00 0.00 178.00 179.16 2oqs h LYS 10 N 0.90 -0.20 0.00 1.05 1.57 -1.99 -3.50 116.57 114.40 2oqs h LYS 10 Ca 0.41 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2oqs h LYS 10 Cb 0.40 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2oqs h LYS 10 CO -0.18 -0.13 0.00 0.41 -0.57 0.00 0.00 179.45 178.98 2oqs n GLY 11 N 1.26 1.21 0.09 3.86 0.00 -1.17 -4.75 105.19 105.68 2oqs n GLY 11 Ca -0.03 -1.01 -0.16 0.00 0.00 0.00 0.00 46.02 44.82 2oqs n GLY 11 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2oqs h LEU 12 N 0.00 0.00 -0.61 0.99 4.07 -1.92 -3.39 115.31 114.45 2oqs h LEU 12 Ca 0.00 -0.50 0.00 0.00 0.08 0.00 0.00 57.88 57.46 2oqs h LEU 12 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2oqs h LEU 12 CO 0.00 1.23 0.00 0.61 -1.08 0.00 0.00 178.44 179.20 2oqs n GLY 13 N 1.52 0.76 1.63 0.83 0.00 -1.26 0.00 105.19 108.67 2oqs n GLY 13 Ca -0.22 -0.73 -0.03 0.00 0.00 0.00 0.00 46.02 45.03 2oqs n GLY 13 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2oqs n PHE 14 N -2.96 -1.47 -4.41 1.61 1.16 -1.26 0.76 117.46 110.89 2oqs n PHE 14 Ca 0.00 -0.76 -0.20 0.00 -1.87 0.00 0.00 57.45 54.62 2oqs n PHE 14 Cb 0.48 0.38 -0.10 0.00 -1.61 0.00 0.00 39.48 38.63 2oqs n PHE 14 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 2oqs s SER 15 N -1.92 1.96 0.27 5.98 1.04 0.20 -4.87 113.70 116.36 2oqs s SER 15 Ca 0.07 -1.44 -0.16 0.00 0.48 0.00 0.00 55.95 54.90 2oqs s SER 15 Cb -0.02 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.23 2oqs s SER 15 CO 0.05 -0.72 0.59 0.27 0.98 0.00 0.00 173.24 174.40 2oqs s ILE 16 N -3.47 0.00 0.19 -1.02 -0.00 -1.26 -2.33 121.20 113.31 2oqs s ILE 16 Ca 0.35 -1.23 0.02 0.00 -0.00 0.00 0.00 60.65 59.79 2oqs s ILE 16 Cb 0.07 -2.14 -0.05 0.00 -0.00 0.00 0.00 42.46 40.35 2oqs s ILE 16 CO 0.15 0.00 0.01 0.00 -0.00 0.00 0.00 174.94 175.10 2oqs s ALA 17 N -3.93 1.42 0.00 2.27 0.00 0.13 -4.74 121.76 116.92 2oqs s ALA 17 Ca 0.18 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2oqs s ALA 17 Cb -0.03 0.61 0.00 0.00 0.00 0.00 0.00 23.12 23.70 2oqs s ALA 17 CO 0.08 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.92 2oqs n GLY 18 N -0.28 2.49 0.00 0.00 0.00 -1.09 -1.87 105.19 104.45 2oqs n GLY 18 Ca -0.06 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2oqs n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oqs n GLY 19 N 0.00 2.68 3.77 -0.02 0.00 -0.88 -0.09 105.19 110.65 2oqs n GLY 19 Ca 0.00 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 2oqs n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oqs s VAL 20 N -2.79 2.55 0.00 1.61 0.11 -1.26 0.81 120.40 121.43 2oqs s VAL 20 Ca 0.00 0.53 0.00 0.00 -2.93 0.00 0.00 61.98 59.58 2oqs s VAL 20 Cb 0.00 -3.32 0.00 0.00 -1.53 0.00 0.00 36.38 31.53 2oqs s VAL 20 CO 0.00 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 2oqs n GLY 21 N 0.68 3.00 0.85 6.54 0.00 -1.26 -4.61 105.19 110.40 2oqs n GLY 21 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 2oqs n GLY 21 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2oqs n ASN 22 N 0.00 0.42 -4.76 1.61 6.94 -0.99 -5.12 115.26 113.37 2oqs n ASN 22 Ca 0.00 -2.04 -0.34 0.00 -0.02 0.00 0.00 54.58 52.18 2oqs n ASN 22 Cb 0.00 -0.24 0.04 0.00 -2.36 0.00 0.00 39.78 37.22 2oqs n ASN 22 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2oqs s GLN 23 N -0.10 2.82 0.07 -3.83 1.03 0.24 -2.66 119.66 117.23 2oqs s GLN 23 Ca 0.13 1.56 0.17 0.00 0.04 0.00 0.00 55.36 57.26 2oqs s GLN 23 Cb 0.15 -1.94 -0.13 0.00 0.03 0.00 0.00 33.01 31.12 2oqs s GLN 23 CO -0.06 -1.27 0.85 1.25 -2.54 0.00 0.00 175.29 173.52 2oqs h HIS 24 N 0.33 0.00 -2.82 9.60 -0.00 -1.84 -3.45 115.15 116.97 2oqs h HIS 24 Ca -0.48 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 59.73 2oqs h HIS 24 Cb 1.26 0.00 -0.28 0.00 -0.00 0.00 0.00 27.41 28.39 2oqs h HIS 24 CO 0.51 0.57 -0.40 0.42 -0.00 0.00 0.00 177.93 179.04 2oqs s ILE 25 N -2.93 -0.08 0.19 6.26 1.01 -1.26 -5.07 121.20 119.32 2oqs s ILE 25 Ca -0.03 0.13 -0.32 0.00 0.00 0.00 0.00 60.65 60.44 2oqs s ILE 25 Cb 0.09 -0.50 -0.12 0.00 0.01 0.00 0.00 42.46 41.94 2oqs s ILE 25 CO 0.81 0.05 1.76 -2.16 0.00 0.00 0.00 174.94 175.40 2oqs s PRO 26 N 1.44 4.12 0.00 2.79 0.04 -1.26 -2.82 135.00 139.32 2oqs s PRO 26 Ca -0.09 2.62 0.00 0.00 0.04 0.00 0.00 61.00 63.57 2oqs s PRO 26 Cb -0.10 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2oqs s PRO 26 CO -0.11 -0.78 0.00 0.41 0.04 0.00 0.00 177.00 176.56 2oqs n GLY 27 N 4.05 3.21 3.10 0.56 0.00 -1.26 -5.01 105.19 109.85 2oqs n GLY 27 Ca 0.16 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 2oqs n GLY 27 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2oqs s ASP 28 N 0.00 4.28 -0.01 1.61 -1.08 -1.13 -4.99 116.67 115.35 2oqs s ASP 28 Ca 0.00 -1.22 0.00 0.00 -0.52 0.00 0.00 52.55 50.81 2oqs s ASP 28 Cb 0.00 -1.57 0.03 0.00 -1.46 0.00 0.00 42.92 39.92 2oqs s ASP 28 CO 0.00 -0.16 0.79 0.59 0.52 0.00 0.00 175.17 176.91 2oqs n ASN 29 N 4.50 2.11 -3.46 -0.34 4.13 -1.26 -4.28 115.26 116.66 2oqs n ASN 29 Ca -0.15 -2.05 -0.28 0.00 1.68 0.00 0.00 54.58 53.78 2oqs n ASN 29 Cb 0.44 -0.51 0.24 0.00 -1.54 0.00 0.00 39.78 38.40 2oqs n ASN 29 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 2oqs n SER 30 N 0.23 -2.14 -4.52 6.41 3.41 -1.26 -2.07 113.62 113.68 2oqs n SER 30 Ca 0.02 -1.10 -0.38 0.00 -0.26 0.00 0.00 58.87 57.15 2oqs n SER 30 Cb 0.42 -0.93 -0.12 0.00 -0.26 0.00 0.00 64.21 63.32 2oqs n SER 30 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2oqs s ILE 31 N -2.79 4.90 0.09 -1.33 1.09 -0.67 -4.08 121.20 118.40 2oqs s ILE 31 Ca 0.66 -0.01 0.09 0.00 -1.10 0.00 0.00 60.65 60.28 2oqs s ILE 31 Cb -0.07 -3.34 -0.04 0.00 -1.06 0.00 0.00 42.46 37.96 2oqs s ILE 31 CO 0.51 0.26 -0.20 -0.31 -0.10 0.00 0.00 174.94 175.09 2oqs s TYR 32 N 1.70 2.49 -0.04 3.97 1.51 -0.78 0.88 117.35 127.08 2oqs s TYR 32 Ca 0.07 -0.29 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 2oqs s TYR 32 Cb -0.16 -1.37 -0.03 0.00 -0.11 0.00 0.00 41.96 40.29 2oqs s TYR 32 CO 0.08 0.31 1.06 0.08 -1.11 0.00 0.00 175.55 175.97 2oqs s VAL 33 N -1.03 4.62 -0.16 0.71 1.01 -1.21 0.18 120.40 124.53 2oqs s VAL 33 Ca 0.16 1.89 0.18 0.00 0.00 0.00 0.00 61.98 64.21 2oqs s VAL 33 Cb -0.10 -4.21 -0.26 0.00 0.00 0.00 0.00 36.38 31.80 2oqs s VAL 33 CO 0.07 0.07 0.21 0.35 0.00 0.00 0.00 175.10 175.80 2oqs n THR 34 N 4.24 1.15 -3.59 3.92 -2.24 -0.99 -2.99 114.28 113.78 2oqs n THR 34 Ca 0.08 -0.79 -0.02 0.00 -2.27 0.00 0.00 64.05 61.06 2oqs n THR 34 Cb 0.49 -0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 68.25 2oqs n THR 34 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2oqs s LYS 35 N -2.70 0.52 -0.26 -0.78 2.20 -1.26 -4.97 119.74 112.50 2oqs s LYS 35 Ca -0.09 1.16 -0.10 0.00 -0.36 0.00 0.00 55.97 56.58 2oqs s LYS 35 Cb 0.08 0.54 -0.05 0.00 -1.51 0.00 0.00 37.83 36.89 2oqs s LYS 35 CO 0.84 -0.15 0.16 0.42 -0.36 0.00 0.00 175.35 176.26 2oqs s ILE 36 N 2.37 5.22 0.43 5.43 1.01 -1.26 0.62 121.20 135.02 2oqs s ILE 36 Ca -0.06 0.13 -0.23 0.00 0.00 0.00 0.00 60.65 60.49 2oqs s ILE 36 Cb -0.08 -3.46 -0.09 0.00 0.01 0.00 0.00 42.46 38.84 2oqs s ILE 36 CO -0.18 0.30 1.06 -0.63 0.00 0.00 0.00 174.94 175.49 2oqs s ILE 37 N 1.46 3.65 0.52 2.92 1.09 0.23 -4.94 121.20 126.13 2oqs s ILE 37 Ca 0.07 1.18 -0.23 0.00 -1.10 0.00 0.00 60.65 60.58 2oqs s ILE 37 Cb -0.15 -3.57 -0.06 0.00 -1.06 0.00 0.00 42.46 37.62 2oqs s ILE 37 CO 0.08 -0.07 1.34 -0.70 -0.10 0.00 0.00 174.94 175.49 2oqs s GLU 38 N -2.74 3.32 -1.55 2.79 -6.30 -1.26 -2.34 118.70 110.63 2oqs s GLU 38 Ca 0.61 2.20 0.00 0.00 -2.50 0.00 0.00 54.97 55.29 2oqs s GLU 38 Cb -0.21 -2.35 0.00 0.00 0.00 0.00 0.00 34.13 31.56 2oqs s GLU 38 CO 0.26 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 174.92 2oqs n GLY 39 N 0.67 1.43 3.94 -1.50 0.00 -1.26 -4.98 105.19 103.49 2oqs n GLY 39 Ca 0.09 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2oqs n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2oqs s GLY 40 N -2.62 1.66 0.16 -0.02 0.00 -0.99 -4.80 107.32 100.72 2oqs s GLY 40 Ca 0.00 -0.95 -0.24 0.00 0.00 0.00 0.00 44.72 43.53 2oqs s GLY 40 CO 0.00 -0.66 1.58 0.00 0.00 0.00 0.00 173.10 174.02 2oqs h ALA 41 N -0.10 -0.28 -0.02 3.20 0.00 -0.61 0.33 119.26 121.79 2oqs h ALA 41 Ca -0.45 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2oqs h ALA 41 Cb 1.28 0.83 -0.00 0.00 0.00 0.00 0.00 17.79 19.89 2oqs h ALA 41 CO 0.58 -0.79 -0.00 0.00 0.00 0.00 0.00 179.25 179.04 2oqs h ALA 42 N 0.65 0.02 -0.54 0.00 0.00 -1.85 -1.69 119.26 115.86 2oqs h ALA 42 Ca 0.17 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.01 2oqs h ALA 42 Cb 0.56 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 2oqs h ALA 42 CO -0.60 -0.30 0.01 1.25 0.00 0.00 0.00 179.25 179.61 2oqs h HIS 43 N -0.30 -0.02 -0.37 0.00 6.17 -1.68 0.81 115.15 119.76 2oqs h HIS 43 Ca 0.00 0.04 -0.12 0.00 0.71 0.00 0.00 60.37 61.00 2oqs h HIS 43 Cb 0.34 0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.35 2oqs h HIS 43 CO 0.04 -0.12 -0.26 0.87 0.71 0.00 0.00 177.93 179.17 2oqs h LYS 44 N 0.13 0.76 0.24 5.26 1.57 -0.36 -3.22 116.57 120.94 2oqs h LYS 44 Ca 0.27 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2oqs h LYS 44 Cb 0.42 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2oqs h LYS 44 CO -0.44 0.94 -0.11 0.22 -0.57 0.00 0.00 179.45 179.48 2oqs h ASP 45 N 0.66 -0.27 0.00 0.86 1.82 -0.28 -3.47 116.42 115.74 2oqs h ASP 45 Ca 0.08 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 2oqs h ASP 45 Cb 0.78 0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.86 2oqs h ASP 45 CO 0.06 -0.07 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 2oqs n GLY 46 N -0.83 2.98 0.25 -0.78 0.00 0.17 -4.87 105.19 102.12 2oqs n GLY 46 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 2oqs n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oqs h LYS 47 N 0.58 0.85 -5.86 1.61 1.57 -1.92 -3.41 116.57 109.99 2oqs h LYS 47 Ca 0.00 -0.18 -0.58 0.00 -1.87 0.00 0.00 60.65 58.02 2oqs h LYS 47 Cb 0.00 -0.12 -0.08 0.00 0.08 0.00 0.00 32.23 32.11 2oqs h LYS 47 CO 0.00 0.77 0.29 -1.17 -0.57 0.00 0.00 179.45 178.77 2oqs s LEU 48 N -9.67 4.17 0.03 2.94 0.20 -1.26 -5.05 118.68 110.04 2oqs s LEU 48 Ca -0.13 1.07 0.03 0.00 0.69 0.00 0.00 54.13 55.79 2oqs s LEU 48 Cb 0.12 -3.12 -0.02 0.00 -0.43 0.00 0.00 46.19 42.75 2oqs s LEU 48 CO 0.80 -0.34 -0.10 0.00 -0.29 0.00 0.00 176.35 176.41 2oqs s GLN 49 N 1.99 0.73 -0.22 1.98 0.00 -1.26 -4.67 119.66 118.21 2oqs s GLN 49 Ca 0.35 -0.61 -0.40 0.00 -0.00 0.00 0.00 55.36 54.70 2oqs s GLN 49 Cb -0.16 -0.67 -0.16 0.00 0.00 0.00 0.00 33.01 32.01 2oqs s GLN 49 CO 0.12 0.16 1.63 0.44 0.00 0.00 0.00 175.29 177.65 2oqs n ILE 50 N 2.09 0.21 0.00 3.63 -6.64 -1.26 -2.11 119.36 115.28 2oqs n ILE 50 Ca -0.18 -0.04 0.00 0.00 -1.77 0.00 0.00 62.75 60.77 2oqs n ILE 50 Cb 0.56 -1.04 0.00 0.00 -1.44 0.00 0.00 39.64 37.71 2oqs n ILE 50 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2oqs n GLY 51 N 3.77 1.73 3.75 3.28 0.00 -1.16 -5.01 105.19 111.55 2oqs n GLY 51 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 2oqs n GLY 51 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2oqs s ASP 52 N -1.69 4.69 0.05 1.61 1.47 -0.90 -4.85 116.67 117.05 2oqs s ASP 52 Ca 0.00 2.12 0.04 0.00 1.18 0.00 0.00 52.55 55.89 2oqs s ASP 52 Cb 0.00 -2.56 -0.04 0.00 -0.34 0.00 0.00 42.92 39.98 2oqs s ASP 52 CO 0.00 -1.92 -0.03 -1.59 0.68 0.00 0.00 175.17 172.32 2oqs s LYS 53 N -4.08 2.56 -0.43 2.11 0.00 -1.26 -3.31 119.74 115.33 2oqs s LYS 53 Ca 0.69 -0.78 -0.18 0.00 0.00 0.00 0.00 55.97 55.71 2oqs s LYS 53 Cb -0.23 -2.54 0.02 0.00 0.00 0.00 0.00 37.83 35.09 2oqs s LYS 53 CO 0.44 0.57 0.46 -0.51 0.00 0.00 0.00 175.35 176.31 2oqs s LEU 54 N -1.91 4.87 -0.04 2.77 1.43 0.25 -2.71 118.68 123.35 2oqs s LEU 54 Ca 0.22 -0.69 -0.22 0.00 -1.03 0.00 0.00 54.13 52.41 2oqs s LEU 54 Cb -0.11 -2.40 -0.16 0.00 0.03 0.00 0.00 46.19 43.54 2oqs s LEU 54 CO 0.13 -0.61 0.94 0.25 0.23 0.00 0.00 176.35 177.29 2oqs h LEU 55 N 9.11 -0.19 -7.43 1.79 6.46 0.13 -3.34 115.31 121.84 2oqs h LEU 55 Ca -0.26 -0.35 -0.09 0.00 -0.12 0.00 0.00 57.88 57.06 2oqs h LEU 55 Cb 1.11 0.05 -0.17 0.00 -0.73 0.00 0.00 40.66 40.91 2oqs h LEU 55 CO 0.81 0.34 -0.16 0.00 -0.62 0.00 0.00 178.44 178.81 2oqs s ALA 56 N -3.85 -0.91 -0.21 1.25 0.00 -0.21 -0.77 121.76 117.05 2oqs s ALA 56 Ca -0.13 0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.08 2oqs s ALA 56 Cb 0.01 0.27 0.07 0.00 0.00 0.00 0.00 23.12 23.46 2oqs s ALA 56 CO 0.50 -0.40 0.05 0.08 0.00 0.00 0.00 175.76 175.99 2oqs s VAL 57 N -2.21 0.49 -0.98 0.00 1.01 0.38 0.42 120.40 119.51 2oqs s VAL 57 Ca -0.07 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2oqs s VAL 57 Cb -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.29 2oqs s VAL 57 CO -0.01 -0.30 0.83 0.59 0.00 0.00 0.00 175.10 176.21 2oqs n ASN 58 N 5.05 -2.92 0.00 3.32 4.13 -0.91 -2.70 115.26 121.23 2oqs n ASN 58 Ca -0.08 -0.48 0.00 0.00 1.68 0.00 0.00 54.58 55.71 2oqs n ASN 58 Cb 0.46 -4.15 0.00 0.00 -1.54 0.00 0.00 39.78 34.55 2oqs n ASN 58 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2oqs n ASN 59 N -2.53 0.00 -4.89 6.41 5.15 -1.26 -5.01 115.26 113.12 2oqs n ASN 59 Ca -0.17 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.49 2oqs n ASN 59 Cb 0.61 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.81 2oqs n ASN 59 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2oqs s VAL 60 N -1.76 5.11 0.05 3.44 -7.23 -1.10 -5.07 120.40 113.84 2oqs s VAL 60 Ca 0.00 0.18 -0.26 0.00 -1.81 0.00 0.00 61.98 60.09 2oqs s VAL 60 Cb 0.00 -3.62 -0.05 0.00 0.56 0.00 0.00 36.38 33.26 2oqs s VAL 60 CO 0.00 0.05 0.81 0.00 -0.31 0.00 0.00 175.10 175.66 2oqs n LEU 62 N 2.90 6.36 0.00 0.00 7.94 0.05 -4.34 117.00 129.91 2oqs n LEU 62 Ca -0.01 -3.76 0.00 0.00 -1.11 0.00 0.00 56.01 51.13 2oqs n LEU 62 Cb 0.50 -0.81 0.00 0.00 0.53 0.00 0.00 43.42 43.64 2oqs n LEU 62 CO 0.48 1.17 -0.47 1.21 -1.11 0.00 0.00 177.39 178.68 2oqs n GLU 63 N -1.11 0.43 -2.11 1.96 2.13 -1.25 -1.68 120.64 119.02 2oqs n GLU 63 Ca 0.55 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 58.10 2oqs n GLU 63 Cb 1.41 -0.97 0.02 0.00 0.27 0.00 0.00 31.44 32.17 2oqs n GLU 63 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2oqs n GLU 64 N -1.43 3.40 -3.95 5.31 0.00 -1.26 -4.15 120.64 118.57 2oqs n GLU 64 Ca 0.00 -4.16 -0.09 0.00 0.00 0.00 0.00 57.16 52.92 2oqs n GLU 64 Cb 0.00 -2.27 -0.09 0.00 0.00 0.00 0.00 31.44 29.08 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2oqs s VAL 65 N -4.98 0.14 0.07 6.31 -7.23 -1.26 -5.11 120.40 108.34 2oqs s VAL 65 Ca 0.51 -1.19 -0.01 0.00 -1.81 0.00 0.00 61.98 59.48 2oqs s VAL 65 Cb 0.42 -0.98 0.02 0.00 0.56 0.00 0.00 36.38 36.39 2oqs s VAL 65 CO -0.08 -0.66 0.06 0.35 -0.31 0.00 0.00 175.10 174.46 2oqs n THR 66 N 0.65 0.00 -0.02 5.32 -2.24 -1.26 -3.17 114.28 113.56 2oqs n THR 66 Ca -0.18 -0.02 -0.17 0.00 -2.27 0.00 0.00 64.05 61.40 2oqs n THR 66 Cb 0.59 -0.80 -0.07 0.00 -2.10 0.00 0.00 70.33 67.94 2oqs n THR 66 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2oqs h HIS 67 N -1.69 1.01 -0.47 4.78 2.76 -0.81 -2.69 115.15 118.04 2oqs h HIS 67 Ca -0.02 -0.45 0.09 0.00 -2.20 0.00 0.00 60.37 57.79 2oqs h HIS 67 Cb 0.07 -0.16 -0.10 0.00 1.55 0.00 0.00 27.41 28.78 2oqs h HIS 67 CO 0.00 1.28 -0.23 0.93 -1.30 0.00 0.00 177.93 178.61 2oqs h GLU 68 N 0.47 -0.12 -0.33 5.26 5.08 -1.93 0.22 114.58 123.23 2oqs h GLU 68 Ca -0.05 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 2oqs h GLU 68 Cb 1.37 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 2oqs h GLU 68 CO 0.15 -0.08 0.06 0.93 -1.00 0.00 0.00 179.01 179.07 2oqs h GLU 69 N -0.13 0.48 -0.59 2.33 4.39 -1.91 0.40 114.58 119.56 2oqs h GLU 69 Ca 0.22 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 2oqs h GLU 69 Cb 0.47 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 2oqs h GLU 69 CO -0.55 0.46 0.36 0.00 -1.16 0.00 0.00 179.01 178.12 2oqs h ALA 70 N 1.60 0.75 0.20 3.43 0.00 -0.31 0.24 119.26 125.17 2oqs h ALA 70 Ca 0.11 -0.07 -0.31 0.00 0.00 0.00 0.00 54.91 54.64 2oqs h ALA 70 Cb 0.21 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 17.79 2oqs h ALA 70 CO -0.00 0.23 -1.38 0.28 0.00 0.00 0.00 179.25 178.38 2oqs h VAL 71 N 0.79 1.38 -0.44 0.00 2.07 -0.55 -2.85 116.25 116.64 2oqs h VAL 71 Ca 0.21 -2.87 -0.03 0.00 0.82 0.00 0.00 66.70 64.83 2oqs h VAL 71 Cb -0.02 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 2oqs h VAL 71 CO -0.04 0.85 0.15 0.74 0.02 0.00 0.00 177.57 179.29 2oqs h THR 72 N 0.11 1.18 0.09 2.57 2.02 -0.05 0.23 112.91 119.06 2oqs h THR 72 Ca -0.20 -0.60 -0.27 0.00 0.77 0.00 0.00 66.41 66.11 2oqs h THR 72 Cb 2.08 0.69 0.01 0.00 -1.74 0.00 0.00 68.15 69.19 2oqs h THR 72 CO 0.24 0.23 -1.15 0.00 0.37 0.00 0.00 175.52 175.21 2oqs h ALA 73 N 1.53 0.14 -0.17 6.16 0.00 -1.02 -0.75 119.26 125.14 2oqs h ALA 73 Ca 0.15 -0.78 -0.15 0.00 0.00 0.00 0.00 54.91 54.13 2oqs h ALA 73 Cb 0.18 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2oqs h ALA 73 CO -0.01 0.80 -0.54 -0.07 0.00 0.00 0.00 179.25 179.44 2oqs h LEU 74 N 0.21 0.56 -0.02 0.00 -0.00 -1.24 -3.02 115.31 111.79 2oqs h LEU 74 Ca -0.14 -0.30 -0.04 0.00 -0.00 0.00 0.00 57.88 57.40 2oqs h LEU 74 Cb 1.82 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 42.32 2oqs h LEU 74 CO 0.21 0.99 -0.21 0.07 -0.00 0.00 0.00 178.44 179.50 2oqs h LYS 75 N 0.39 0.00 -4.40 1.13 2.10 -0.57 -3.40 116.57 111.83 2oqs h LYS 75 Ca 0.01 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 58.05 2oqs h LYS 75 Cb 1.07 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 32.45 2oqs h LYS 75 CO 0.10 0.21 2.26 -1.71 -2.00 0.00 0.00 179.45 178.30 2oqs n ASN 76 N -3.15 2.62 -4.18 7.07 5.15 -0.29 -4.84 115.26 117.63 2oqs n ASN 76 Ca 0.03 -2.62 -0.21 0.00 -0.60 0.00 0.00 54.58 51.18 2oqs n ASN 76 Cb 0.61 -1.06 -0.13 0.00 -0.53 0.00 0.00 39.78 38.67 2oqs n ASN 76 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2oqs s THR 77 N 4.97 1.25 0.00 -0.44 -4.23 -1.26 -4.99 115.64 110.94 2oqs s THR 77 Ca 0.56 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 2oqs s THR 77 Cb 0.14 -1.15 0.00 0.00 1.34 0.00 0.00 72.50 72.83 2oqs s THR 77 CO 0.12 -0.04 0.00 -1.54 -0.54 0.00 0.00 174.62 172.62 2oqs n SER 78 N 1.63 0.00 -0.11 3.99 3.41 -1.26 -4.99 113.62 116.29 2oqs n SER 78 Ca -0.19 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.26 2oqs n SER 78 Cb 0.54 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 2oqs n SER 78 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2oqs n ASP 79 N -1.05 2.27 -4.24 4.04 8.00 -1.26 -4.82 116.55 119.48 2oqs n ASP 79 Ca 0.00 -0.07 -0.24 0.00 0.71 0.00 0.00 54.79 55.19 2oqs n ASP 79 Cb 0.00 -0.37 -0.09 0.00 -0.02 0.00 0.00 41.12 40.64 2oqs n ASP 79 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2oqs s PHE 80 N -2.42 1.82 -0.06 1.24 0.40 -1.26 -2.19 117.98 115.50 2oqs s PHE 80 Ca -0.29 -1.17 -0.03 0.00 -0.60 0.00 0.00 56.93 54.84 2oqs s PHE 80 Cb 0.08 -1.18 0.04 0.00 0.51 0.00 0.00 43.02 42.46 2oqs s PHE 80 CO 0.48 -0.20 0.10 0.08 0.70 0.00 0.00 175.22 176.38 2oqs s VAL 81 N -3.27 -0.17 -0.56 -0.44 1.01 0.14 -4.80 120.40 112.31 2oqs s VAL 81 Ca 0.28 0.39 -0.14 0.00 0.00 0.00 0.00 61.98 62.51 2oqs s VAL 81 Cb 0.05 -0.21 0.14 0.00 0.00 0.00 0.00 36.38 36.35 2oqs s VAL 81 CO 0.15 0.16 0.49 -0.47 0.00 0.00 0.00 175.10 175.43 2oqs s TYR 82 N 2.22 3.35 -0.21 5.22 6.14 -1.26 0.16 117.35 132.96 2oqs s TYR 82 Ca 0.04 -1.52 -0.14 0.00 0.64 0.00 0.00 57.07 56.10 2oqs s TYR 82 Cb -0.12 -3.73 -0.04 0.00 0.42 0.00 0.00 41.96 38.49 2oqs s TYR 82 CO -0.04 -1.01 0.30 -1.17 0.64 0.00 0.00 175.55 174.27 2oqs s LEU 83 N 1.37 4.15 -0.20 6.97 0.20 0.08 -2.14 118.68 129.11 2oqs s LEU 83 Ca 0.05 0.37 -0.04 0.00 0.69 0.00 0.00 54.13 55.21 2oqs s LEU 83 Cb -0.27 -2.35 -0.02 0.00 -0.43 0.00 0.00 46.19 43.12 2oqs s LEU 83 CO 0.01 -0.00 -0.04 -0.54 -0.29 0.00 0.00 176.35 175.49 2oqs s LYS 84 N 1.12 3.48 -0.13 1.98 -0.14 0.17 -1.59 119.74 124.63 2oqs s LYS 84 Ca 0.15 -0.59 -0.00 0.00 -1.36 0.00 0.00 55.97 54.17 2oqs s LYS 84 Cb -0.14 -2.98 -0.02 0.00 -1.68 0.00 0.00 37.83 33.01 2oqs s LYS 84 CO 0.06 -0.05 -0.13 0.08 -0.76 0.00 0.00 175.35 174.56 2oqs s VAL 85 N 1.11 3.11 -0.70 3.17 1.01 -1.26 0.81 120.40 127.65 2oqs s VAL 85 Ca 0.02 -0.65 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 2oqs s VAL 85 Cb -0.15 -2.30 0.17 0.00 0.00 0.00 0.00 36.38 34.10 2oqs s VAL 85 CO 0.00 0.53 0.69 0.00 0.00 0.00 0.00 175.10 176.32 2oqs s ALA 86 N 0.28 3.79 0.09 5.51 0.00 -1.10 -4.68 121.76 125.64 2oqs s ALA 86 Ca -0.09 -2.85 -0.31 0.00 0.00 0.00 0.00 51.96 48.71 2oqs s ALA 86 Cb -0.15 -3.47 -0.07 0.00 0.00 0.00 0.00 23.12 19.42 2oqs s ALA 86 CO 0.05 -2.25 1.42 -1.59 0.00 0.00 0.00 175.76 173.39 2oqs s LYS 87 N 1.20 4.30 0.65 0.00 -2.85 -1.26 -4.66 119.74 117.12 2oqs s LYS 87 Ca 0.13 2.08 -0.15 0.00 -1.00 0.00 0.00 55.97 57.03 2oqs s LYS 87 Cb -0.19 -3.35 -0.01 0.00 -2.06 0.00 0.00 37.83 32.23 2oqs s LYS 87 CO -0.03 -0.50 1.09 -1.25 0.10 0.00 0.00 175.35 174.77 2oqs s PRO 88 N 1.52 2.92 0.00 1.78 0.04 -1.26 -5.00 135.00 135.00 2oqs s PRO 88 Ca 0.65 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2oqs s PRO 88 Cb -0.36 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2oqs s PRO 88 CO 0.30 -1.14 0.00 -2.37 0.04 0.00 0.00 177.00 173.82 2oqs n THR 89 N -2.44 0.00 -2.67 1.26 5.66 -1.26 -5.09 114.28 109.73 2oqs n THR 89 Ca 0.10 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 61.05 2oqs n THR 89 Cb 0.52 -0.01 0.06 0.00 -1.55 0.00 0.00 70.33 69.36 2oqs n THR 89 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2oqs n GLY 90 N 1.31 -1.60 0.19 1.09 0.00 -1.26 -5.02 105.19 99.90 2oqs n GLY 90 Ca 0.00 1.04 -0.10 0.00 0.00 0.00 0.00 46.02 46.96 2oqs n GLY 90 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2oqs h SER 91 N 3.61 0.57 0.00 1.61 0.02 -2.02 -3.58 113.55 113.76 2oqs h SER 91 Ca -0.14 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 2oqs h SER 91 Cb 1.18 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2oqs h SER 91 CO -0.13 1.07 0.00 1.41 -1.14 0.00 0.00 176.83 178.04