#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 1.51 -0.16 2.12 1.03 -1.26 -1.20 118.70 120.73 2oqs s GLU 2 Ca 0.00 -1.58 -0.04 0.00 0.03 0.00 0.00 54.97 53.37 2oqs s GLU 2 Cb 0.00 -1.68 0.08 0.00 -0.80 0.00 0.00 34.13 31.73 2oqs s GLU 2 CO 0.00 0.34 0.25 0.42 -1.33 0.00 0.00 175.26 174.94 2oqs s ILE 3 N -2.09 -0.39 -0.98 1.83 1.09 -0.44 -4.99 121.20 115.23 2oqs s ILE 3 Ca 0.23 0.11 -0.23 0.00 -1.10 0.00 0.00 60.65 59.65 2oqs s ILE 3 Cb -0.06 -0.55 0.05 0.00 -1.06 0.00 0.00 42.46 40.84 2oqs s ILE 3 CO 0.11 -0.02 1.41 -0.54 -0.10 0.00 0.00 174.94 175.79 2oqs s LYS 4 N 2.39 3.54 0.04 2.79 3.01 -1.26 -2.65 119.74 127.60 2oqs s LYS 4 Ca 0.05 -1.06 -0.21 0.00 -1.01 0.00 0.00 55.97 53.74 2oqs s LYS 4 Cb -0.14 -5.19 -0.06 0.00 -1.01 0.00 0.00 37.83 31.43 2oqs s LYS 4 CO -0.10 -2.17 0.61 -0.51 0.51 0.00 0.00 175.35 173.69 2oqs s LEU 5 N 4.91 4.47 0.31 3.17 1.43 -0.96 -4.97 118.68 127.04 2oqs s LEU 5 Ca 0.44 1.25 -0.09 0.00 -1.03 0.00 0.00 54.13 54.70 2oqs s LEU 5 Cb -0.01 -2.96 -0.06 0.00 0.03 0.00 0.00 46.19 43.18 2oqs s LEU 5 CO -0.07 0.17 0.64 -0.51 0.23 0.00 0.00 176.35 176.81 2oqs s ILE 6 N -0.60 4.89 0.02 -0.59 2.07 -1.26 -1.42 121.20 124.32 2oqs s ILE 6 Ca 0.31 0.42 -0.25 0.00 -1.41 0.00 0.00 60.65 59.72 2oqs s ILE 6 Cb -0.19 -3.69 -0.05 0.00 0.13 0.00 0.00 42.46 38.66 2oqs s ILE 6 CO 0.19 -0.31 0.76 -0.75 -1.91 0.00 0.00 174.94 172.92 2oqs s LYS 7 N -3.41 4.49 0.04 3.50 2.47 -0.62 -4.89 119.74 121.32 2oqs s LYS 7 Ca 0.48 1.05 0.00 0.00 -1.56 0.00 0.00 55.97 55.94 2oqs s LYS 7 Cb -0.11 -3.38 0.01 0.00 -1.46 0.00 0.00 37.83 32.89 2oqs s LYS 7 CO 0.27 0.22 0.06 0.41 0.16 0.00 0.00 175.35 176.47 2oqs n GLY 8 N 2.56 1.21 0.00 5.54 0.00 -1.25 -5.02 105.19 108.23 2oqs n GLY 8 Ca -0.02 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.98 2oqs n GLY 8 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2oqs n PRO 9 N -1.10 0.00 0.28 1.61 -0.02 -1.26 -4.33 135.00 130.18 2oqs n PRO 9 Ca 0.01 0.31 -0.11 0.00 -2.02 0.00 0.00 63.50 61.69 2oqs n PRO 9 Cb 0.04 -1.25 -0.05 0.00 -0.02 0.00 0.00 33.50 32.22 2oqs n PRO 9 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2oqs h LYS 10 N 0.00 -0.69 0.00 -0.52 1.57 -2.00 -3.50 116.57 111.44 2oqs h LYS 10 Ca 0.00 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2oqs h LYS 10 Cb 0.00 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2oqs h LYS 10 CO 0.00 -0.46 0.00 0.41 -0.57 0.00 0.00 179.45 178.83 2oqs n GLY 11 N -0.93 1.42 0.22 3.86 0.00 -1.26 -5.02 105.19 103.48 2oqs n GLY 11 Ca -0.09 0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 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 0.91 -0.39 0.99 3.38 -1.93 -3.31 115.31 114.96 2oqs h LEU 12 Ca 0.00 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.37 2oqs h LEU 12 Cb 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 2oqs h LEU 12 CO 0.00 1.39 0.00 0.61 0.09 0.00 0.00 178.44 180.53 2oqs n GLY 13 N 0.69 0.77 1.62 0.83 0.00 -1.26 0.14 105.19 107.98 2oqs n GLY 13 Ca -0.07 -0.68 -0.03 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.91 -1.44 -4.46 1.61 1.16 -1.26 0.37 117.46 110.52 2oqs n PHE 14 Ca 0.00 -0.74 -0.22 0.00 -1.87 0.00 0.00 57.45 54.61 2oqs n PHE 14 Cb 0.43 0.37 -0.10 0.00 -1.61 0.00 0.00 39.48 38.57 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 2.37 0.26 5.98 1.04 0.14 -4.88 113.70 116.69 2oqs s SER 15 Ca 0.07 -1.47 -0.16 0.00 0.48 0.00 0.00 55.95 54.87 2oqs s SER 15 Cb -0.02 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.24 2oqs s SER 15 CO 0.05 -0.72 0.58 0.27 0.98 0.00 0.00 173.24 174.40 2oqs s ILE 16 N -3.32 0.00 0.18 -1.02 -0.00 -1.26 -2.92 121.20 112.85 2oqs s ILE 16 Ca 0.33 -1.23 0.00 0.00 -0.00 0.00 0.00 60.65 59.74 2oqs s ILE 16 Cb 0.07 -2.12 -0.04 0.00 -0.00 0.00 0.00 42.46 40.36 2oqs s ILE 16 CO 0.15 0.00 0.07 0.00 -0.00 0.00 0.00 174.94 175.15 2oqs s ALA 17 N -3.97 1.21 0.00 2.27 0.00 0.19 -4.74 121.76 116.73 2oqs s ALA 17 Ca 0.18 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.51 2oqs s ALA 17 Cb -0.03 0.94 0.00 0.00 0.00 0.00 0.00 23.12 24.03 2oqs s ALA 17 CO 0.08 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2oqs n GLY 18 N -0.24 2.33 0.00 0.00 0.00 -1.26 -1.62 105.19 104.41 2oqs n GLY 18 Ca -0.03 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 2.79 3.76 -0.02 0.00 -0.98 0.08 105.19 110.81 2oqs n GLY 19 Ca 0.00 -1.84 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 2oqs n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oqs s VAL 20 N -2.49 2.57 0.00 1.61 1.01 -1.26 -0.26 120.40 121.58 2oqs s VAL 20 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.37 2oqs s VAL 20 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.21 2oqs s VAL 20 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.66 2oqs n GLY 21 N 0.56 3.06 0.35 4.51 0.00 -1.26 -4.57 105.19 107.84 2oqs n GLY 21 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 0.01 0.35 -4.57 1.61 6.94 -1.05 -5.12 115.26 113.44 2oqs n ASN 22 Ca 0.00 -1.97 -0.45 0.00 -0.02 0.00 0.00 54.58 52.15 2oqs n ASN 22 Cb 0.00 -0.19 -0.02 0.00 -2.36 0.00 0.00 39.78 37.21 2oqs n ASN 22 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2oqs n GLN 23 N -0.19 1.20 -0.04 -3.83 6.02 0.64 -4.07 117.38 117.10 2oqs n GLN 23 Ca 0.02 0.42 -0.11 0.00 -0.01 0.00 0.00 57.00 57.32 2oqs n GLN 23 Cb 0.64 -1.75 -0.14 0.00 1.02 0.00 0.00 30.24 30.01 2oqs n GLN 23 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2oqs n HIS 24 N 0.20 0.80 -4.16 1.08 -0.00 -1.26 -4.90 115.22 106.97 2oqs n HIS 24 Ca 0.11 0.27 -0.21 0.00 -0.00 0.00 0.00 57.72 57.88 2oqs n HIS 24 Cb 0.31 -1.14 -0.16 0.00 -0.00 0.00 0.00 29.99 29.00 2oqs n HIS 24 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2oqs s ILE 25 N -2.57 0.61 0.02 3.57 -1.09 -1.26 -5.09 121.20 115.40 2oqs s ILE 25 Ca -0.09 -0.15 -0.31 0.00 -2.23 0.00 0.00 60.65 57.87 2oqs s ILE 25 Cb 0.07 -0.64 -0.10 0.00 -1.58 0.00 0.00 42.46 40.22 2oqs s ILE 25 CO 0.81 0.25 1.93 -0.81 -1.23 0.00 0.00 174.94 175.89 2oqs n PRO 26 N 4.16 2.69 0.00 2.79 -0.04 -1.26 -2.45 135.00 140.89 2oqs n PRO 26 Ca -0.22 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 2oqs n PRO 26 Cb 0.51 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 2oqs n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oqs n GLY 27 N 4.46 3.02 3.49 0.55 0.00 -1.26 -5.00 105.19 110.45 2oqs n GLY 27 Ca 0.20 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 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 6.07 -0.06 1.61 -1.08 -1.03 -4.94 116.67 117.24 2oqs s ASP 28 Ca 0.00 -0.68 0.05 0.00 -0.52 0.00 0.00 52.55 51.40 2oqs s ASP 28 Cb 0.00 -2.15 0.24 0.00 -1.46 0.00 0.00 42.92 39.55 2oqs s ASP 28 CO 0.00 -0.35 0.92 0.59 0.52 0.00 0.00 175.17 176.85 2oqs n ASN 29 N 5.13 2.24 -3.47 -0.34 4.13 -1.26 -4.07 115.26 117.62 2oqs n ASN 29 Ca -0.12 -2.24 -0.30 0.00 1.68 0.00 0.00 54.58 53.61 2oqs n ASN 29 Cb 0.48 -0.50 0.26 0.00 -1.54 0.00 0.00 39.78 38.49 2oqs n ASN 29 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2oqs n SER 30 N 0.18 -2.59 -4.47 6.41 7.64 -1.26 -2.31 113.62 117.22 2oqs n SER 30 Ca 0.08 -1.09 -0.43 0.00 1.01 0.00 0.00 58.87 58.44 2oqs n SER 30 Cb 0.48 -0.99 -0.10 0.00 -1.01 0.00 0.00 64.21 62.59 2oqs n SER 30 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2oqs s ILE 31 N -2.76 5.20 -0.01 0.44 -1.09 -0.68 -4.09 121.20 118.22 2oqs s ILE 31 Ca 0.69 -0.57 0.02 0.00 -2.23 0.00 0.00 60.65 58.57 2oqs s ILE 31 Cb -0.08 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 2oqs s ILE 31 CO 0.54 -0.35 -0.04 -0.31 -1.23 0.00 0.00 174.94 173.56 2oqs s TYR 32 N 1.83 2.98 -0.04 3.97 1.51 -0.64 0.47 117.35 127.42 2oqs s TYR 32 Ca 0.07 0.02 -0.30 0.00 -1.01 0.00 0.00 57.07 55.86 2oqs s TYR 32 Cb -0.18 -1.65 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 2oqs s TYR 32 CO 0.11 0.41 1.07 0.08 -1.11 0.00 0.00 175.55 176.11 2oqs s VAL 33 N -1.02 4.59 -0.18 0.71 1.01 -1.21 0.56 120.40 124.87 2oqs s VAL 33 Ca 0.18 1.87 0.18 0.00 0.00 0.00 0.00 61.98 64.20 2oqs s VAL 33 Cb -0.11 -4.20 -0.25 0.00 0.00 0.00 0.00 36.38 31.82 2oqs s VAL 33 CO 0.08 0.06 0.10 1.07 0.00 0.00 0.00 175.10 176.41 2oqs n THR 34 N 4.30 1.24 -3.65 3.92 5.66 -1.15 -2.79 114.28 121.81 2oqs n THR 34 Ca 0.08 -0.80 -0.04 0.00 -3.05 0.00 0.00 64.05 60.24 2oqs n THR 34 Cb 0.48 -0.44 -0.06 0.00 -1.55 0.00 0.00 70.33 68.77 2oqs n THR 34 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2oqs s LYS 35 N -2.55 0.49 -0.26 1.09 -0.14 -1.26 -4.98 119.74 112.13 2oqs s LYS 35 Ca -0.10 1.30 -0.11 0.00 -1.36 0.00 0.00 55.97 55.71 2oqs s LYS 35 Cb 0.06 0.67 -0.05 0.00 -1.68 0.00 0.00 37.83 36.83 2oqs s LYS 35 CO 0.81 -0.22 0.18 0.42 -0.76 0.00 0.00 175.35 175.79 2oqs s ILE 36 N 2.76 5.32 0.41 2.17 1.01 -1.26 0.28 121.20 131.89 2oqs s ILE 36 Ca -0.05 0.19 -0.23 0.00 0.00 0.00 0.00 60.65 60.56 2oqs s ILE 36 Cb -0.12 -3.52 -0.09 0.00 0.01 0.00 0.00 42.46 38.73 2oqs s ILE 36 CO -0.17 0.28 1.02 -0.63 0.00 0.00 0.00 174.94 175.45 2oqs s ILE 37 N 1.50 3.89 0.55 2.92 1.09 0.16 -4.95 121.20 126.35 2oqs s ILE 37 Ca 0.07 1.38 -0.22 0.00 -1.10 0.00 0.00 60.65 60.79 2oqs s ILE 37 Cb -0.15 -3.68 -0.05 0.00 -1.06 0.00 0.00 42.46 37.52 2oqs s ILE 37 CO 0.08 -0.05 1.38 -0.70 -0.10 0.00 0.00 174.94 175.55 2oqs s GLU 38 N -2.63 3.13 -2.13 2.79 2.12 -1.26 -2.25 118.70 118.47 2oqs s GLU 38 Ca 0.59 2.28 0.00 0.00 0.36 0.00 0.00 54.97 58.20 2oqs s GLU 38 Cb -0.19 -2.27 0.00 0.00 0.26 0.00 0.00 34.13 31.93 2oqs s GLU 38 CO 0.24 -1.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.16 2oqs n GLY 39 N 0.73 1.88 3.94 -1.50 0.00 -1.26 -4.98 105.19 104.01 2oqs n GLY 39 Ca 0.10 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.78 1.66 0.19 -0.02 0.00 -0.95 -4.80 107.32 100.62 2oqs s GLY 40 Ca 0.00 -0.96 -0.17 0.00 0.00 0.00 0.00 44.72 43.59 2oqs s GLY 40 CO 0.00 -0.68 1.63 0.00 0.00 0.00 0.00 173.10 174.04 2oqs h ALA 41 N -0.07 0.22 0.08 3.20 0.00 -0.54 0.38 119.26 122.54 2oqs h ALA 41 Ca -0.45 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 2oqs h ALA 41 Cb 1.28 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2oqs h ALA 41 CO 0.58 -0.51 -0.04 0.00 0.00 0.00 0.00 179.25 179.28 2oqs h ALA 42 N 1.34 -0.11 -0.59 0.00 0.00 -1.87 -1.90 119.26 116.12 2oqs h ALA 42 Ca 0.24 -0.24 0.12 0.00 0.00 0.00 0.00 54.91 55.03 2oqs h ALA 42 Cb 0.45 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.19 2oqs h ALA 42 CO -0.57 -0.30 0.08 1.25 0.00 0.00 0.00 179.25 179.70 2oqs h HIS 43 N -0.63 0.10 -0.34 0.00 6.17 -1.71 0.87 115.15 119.60 2oqs h HIS 43 Ca -0.01 0.04 -0.14 0.00 0.71 0.00 0.00 60.37 60.97 2oqs h HIS 43 Cb 0.52 0.05 -0.01 0.00 2.52 0.00 0.00 27.41 30.48 2oqs h HIS 43 CO 0.09 -0.08 -0.35 0.87 0.71 0.00 0.00 177.93 179.16 2oqs h LYS 44 N 0.20 0.78 0.19 5.26 1.57 -0.31 -3.25 116.57 121.01 2oqs h LYS 44 Ca 0.31 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2oqs h LYS 44 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2oqs h LYS 44 CO -0.44 1.01 -0.09 0.22 -0.57 0.00 0.00 179.45 179.58 2oqs h ASP 45 N 0.65 -0.22 0.00 0.86 1.82 -0.43 -3.47 116.42 115.63 2oqs h ASP 45 Ca 0.06 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 2oqs h ASP 45 Cb 0.90 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.97 2oqs h ASP 45 CO 0.08 -0.01 0.00 0.61 -1.61 0.00 0.00 179.24 178.31 2oqs n GLY 46 N -0.76 3.07 0.30 -0.78 0.00 0.20 -4.88 105.19 102.33 2oqs n GLY 46 Ca -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 0.86 1.03 -5.74 1.61 1.57 -1.92 -3.42 116.57 110.56 2oqs h LYS 47 Ca 0.00 -0.27 -0.58 0.00 -1.87 0.00 0.00 60.65 57.93 2oqs h LYS 47 Cb 0.00 -0.12 -0.09 0.00 0.08 0.00 0.00 32.23 32.10 2oqs h LYS 47 CO 0.00 0.95 0.08 -1.17 -0.57 0.00 0.00 179.45 178.74 2oqs s LEU 48 N -9.51 4.19 0.02 2.94 0.20 -1.26 -5.06 118.68 110.20 2oqs s LEU 48 Ca -0.12 0.90 0.04 0.00 0.69 0.00 0.00 54.13 55.63 2oqs s LEU 48 Cb 0.13 -2.90 -0.02 0.00 -0.43 0.00 0.00 46.19 42.98 2oqs s LEU 48 CO 0.84 -0.21 -0.12 0.00 -0.29 0.00 0.00 176.35 176.57 2oqs s GLN 49 N 1.53 0.84 -0.20 1.98 0.00 -1.26 -4.61 119.66 117.94 2oqs s GLN 49 Ca 0.30 -0.58 -0.39 0.00 -0.00 0.00 0.00 55.36 54.68 2oqs s GLN 49 Cb -0.16 -0.81 -0.16 0.00 0.00 0.00 0.00 33.01 31.89 2oqs s GLN 49 CO 0.12 0.21 1.67 -0.89 0.00 0.00 0.00 175.29 176.39 2oqs n ILE 50 N 2.26 0.26 0.00 3.63 5.41 -1.26 -2.05 119.36 127.61 2oqs n ILE 50 Ca -0.17 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.54 2oqs n ILE 50 Cb 0.55 -1.17 0.00 0.00 -0.71 0.00 0.00 39.64 38.31 2oqs n ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2oqs n GLY 51 N 3.87 1.81 3.74 7.39 0.00 -1.12 -5.03 105.19 115.85 2oqs n GLY 51 Ca 0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.74 4.19 0.07 1.61 1.47 -0.87 -4.84 116.67 116.55 2oqs s ASP 52 Ca 0.00 2.00 0.06 0.00 1.18 0.00 0.00 52.55 55.78 2oqs s ASP 52 Cb 0.00 -2.54 -0.04 0.00 -0.34 0.00 0.00 42.92 40.00 2oqs s ASP 52 CO 0.00 -2.25 -0.09 -1.59 0.68 0.00 0.00 175.17 171.92 2oqs s LYS 53 N -4.61 2.30 -0.51 2.11 0.00 -1.26 -3.29 119.74 114.48 2oqs s LYS 53 Ca 0.65 -0.91 -0.16 0.00 0.00 0.00 0.00 55.97 55.55 2oqs s LYS 53 Cb -0.20 -2.38 0.10 0.00 0.00 0.00 0.00 37.83 35.34 2oqs s LYS 53 CO 0.53 0.54 0.49 -0.51 0.00 0.00 0.00 175.35 176.40 2oqs s LEU 54 N -1.91 5.75 0.03 2.77 1.43 0.18 -2.19 118.68 124.74 2oqs s LEU 54 Ca 0.20 -1.47 -0.25 0.00 -1.03 0.00 0.00 54.13 51.58 2oqs s LEU 54 Cb -0.11 -2.23 -0.18 0.00 0.03 0.00 0.00 46.19 43.70 2oqs s LEU 54 CO 0.12 -0.80 1.48 0.25 0.23 0.00 0.00 176.35 177.63 2oqs h LEU 55 N 9.02 -0.04 -7.41 1.79 6.46 0.61 -3.34 115.31 122.38 2oqs h LEU 55 Ca -0.29 -0.23 -0.06 0.00 -0.12 0.00 0.00 57.88 57.17 2oqs h LEU 55 Cb 1.10 0.01 -0.14 0.00 -0.73 0.00 0.00 40.66 40.90 2oqs h LEU 55 CO 0.97 0.21 -0.10 0.00 -0.62 0.00 0.00 178.44 178.90 2oqs s ALA 56 N -5.20 -0.92 -0.20 1.25 0.00 0.73 -0.40 121.76 117.03 2oqs s ALA 56 Ca -0.15 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.82 2oqs s ALA 56 Cb 0.04 0.56 0.07 0.00 0.00 0.00 0.00 23.12 23.78 2oqs s ALA 56 CO 0.66 -0.57 0.07 0.08 0.00 0.00 0.00 175.76 176.00 2oqs s VAL 57 N -3.34 0.20 -1.02 0.00 1.01 0.34 -0.05 120.40 117.54 2oqs s VAL 57 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 2oqs s VAL 57 Cb 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2oqs s VAL 57 CO -0.09 -0.31 0.85 0.59 0.00 0.00 0.00 175.10 176.15 2oqs n ASN 58 N 5.17 -2.41 0.00 3.32 3.02 -0.84 -2.62 115.26 120.89 2oqs n ASN 58 Ca -0.07 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.96 2oqs n ASN 58 Cb 0.47 -4.37 0.00 0.00 -0.61 0.00 0.00 39.78 35.27 2oqs n ASN 58 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2oqs n ASN 59 N -2.73 0.00 -4.87 6.41 5.15 -1.26 -5.01 115.26 112.95 2oqs n ASN 59 Ca -0.22 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.43 2oqs n ASN 59 Cb 0.63 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.83 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 -2.03 5.05 -0.01 3.44 -7.23 -1.08 -5.06 120.40 113.48 2oqs s VAL 60 Ca 0.00 0.43 -0.26 0.00 -1.81 0.00 0.00 61.98 60.35 2oqs s VAL 60 Cb 0.00 -3.65 -0.04 0.00 0.56 0.00 0.00 36.38 33.25 2oqs s VAL 60 CO 0.00 0.18 0.80 0.00 -0.31 0.00 0.00 175.10 175.77 2oqs n LEU 62 N 3.49 6.21 -0.00 0.00 7.94 0.46 -4.36 117.00 130.74 2oqs n LEU 62 Ca 0.00 -3.71 0.02 0.00 -1.11 0.00 0.00 56.01 51.22 2oqs n LEU 62 Cb 0.51 -0.80 -0.03 0.00 0.53 0.00 0.00 43.42 43.63 2oqs n LEU 62 CO 0.48 1.14 -0.48 1.21 -1.11 0.00 0.00 177.39 178.63 2oqs n GLU 63 N -1.13 0.84 -2.46 1.96 0.00 -1.25 -1.68 120.64 116.92 2oqs n GLU 63 Ca 0.54 -0.03 -0.24 0.00 0.00 0.00 0.00 57.16 57.42 2oqs n GLU 63 Cb 1.47 -1.05 0.01 0.00 0.00 0.00 0.00 31.44 31.86 2oqs n GLU 63 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2oqs n GLU 64 N -1.58 3.17 -3.95 5.31 -0.58 -1.26 -4.17 120.64 117.58 2oqs n GLU 64 Ca -0.01 -4.32 -0.08 0.00 -0.42 0.00 0.00 57.16 52.33 2oqs n GLU 64 Cb 0.11 -2.13 -0.09 0.00 -0.57 0.00 0.00 31.44 28.76 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2oqs s VAL 65 N -5.16 0.16 0.00 2.62 -7.23 -1.26 -5.12 120.40 104.42 2oqs s VAL 65 Ca 0.46 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2oqs s VAL 65 Cb 0.41 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 36.08 2oqs s VAL 65 CO -0.14 -0.75 0.00 0.35 -0.31 0.00 0.00 175.10 174.25 2oqs n THR 66 N 0.23 0.00 0.08 5.32 -2.24 -1.26 -2.86 114.28 113.55 2oqs n THR 66 Ca -0.16 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.43 2oqs n THR 66 Cb 0.61 -1.13 -0.11 0.00 -2.10 0.00 0.00 70.33 67.60 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 -1.17 0.91 -1.00 4.78 2.76 -0.67 -2.80 115.15 117.97 2oqs h HIS 67 Ca 0.00 -0.55 0.20 0.00 -2.20 0.00 0.00 60.37 57.82 2oqs h HIS 67 Cb 0.00 -0.08 -0.10 0.00 1.55 0.00 0.00 27.41 28.77 2oqs h HIS 67 CO 0.00 1.39 0.61 1.05 -1.30 0.00 0.00 177.93 179.68 2oqs h GLU 68 N 0.28 0.69 -0.11 5.26 4.11 -1.93 0.46 114.58 123.34 2oqs h GLU 68 Ca -0.15 -0.04 -0.22 0.00 0.07 0.00 0.00 59.36 59.02 2oqs h GLU 68 Cb 1.81 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 30.91 2oqs h GLU 68 CO 0.21 0.46 -0.80 0.93 0.07 0.00 0.00 179.01 179.88 2oqs h GLU 69 N 0.71 0.65 -0.20 1.06 3.07 -1.91 -0.18 114.58 117.79 2oqs h GLU 69 Ca 0.58 -0.56 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2oqs h GLU 69 Cb 0.97 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 2oqs h GLU 69 CO -0.37 1.17 0.07 0.00 -1.40 0.00 0.00 179.01 178.48 2oqs h ALA 70 N 0.66 0.26 -0.24 3.43 0.00 -0.60 -0.08 119.26 122.68 2oqs h ALA 70 Ca -0.06 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 2oqs h ALA 70 Cb 1.42 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2oqs h ALA 70 CO 0.16 -0.13 -0.47 -0.24 0.00 0.00 0.00 179.25 178.57 2oqs h VAL 71 N 0.15 1.30 -0.20 0.00 3.04 -0.26 -2.92 116.25 117.37 2oqs h VAL 71 Ca 0.06 -1.68 -0.12 0.00 -1.01 0.00 0.00 66.70 63.96 2oqs h VAL 71 Cb 0.22 1.74 -0.01 0.00 -2.01 0.00 0.00 31.29 31.23 2oqs h VAL 71 CO -0.00 0.53 -0.39 0.74 -1.01 0.00 0.00 177.57 177.45 2oqs h THR 72 N 0.49 1.30 -0.50 3.17 2.02 -1.01 0.88 112.91 119.26 2oqs h THR 72 Ca 0.01 -1.52 -0.08 0.00 0.77 0.00 0.00 66.41 65.59 2oqs h THR 72 Cb 1.08 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 69.04 2oqs h THR 72 CO 0.11 0.47 -0.01 0.00 0.37 0.00 0.00 175.52 176.45 2oqs h ALA 73 N 1.22 0.68 -0.17 6.16 0.00 -1.03 0.87 119.26 126.99 2oqs h ALA 73 Ca 0.04 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.45 2oqs h ALA 73 Cb 0.84 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2oqs h ALA 73 CO 0.07 0.50 -0.71 -0.07 0.00 0.00 0.00 179.25 179.04 2oqs h LEU 74 N 0.76 0.84 -1.54 0.00 -0.00 -1.44 -3.10 115.31 110.82 2oqs h LEU 74 Ca 0.14 -0.52 -0.04 0.00 -0.00 0.00 0.00 57.88 57.46 2oqs h LEU 74 Cb 0.54 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 2oqs h LEU 74 CO 0.03 1.30 -0.12 0.50 -0.00 0.00 0.00 178.44 180.15 2oqs h LYS 75 N 0.50 0.14 -4.18 1.13 3.64 -0.58 -3.34 116.57 113.88 2oqs h LYS 75 Ca -0.03 -0.03 -0.61 0.00 -1.27 0.00 0.00 60.65 58.71 2oqs h LYS 75 Cb 1.32 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 33.15 2oqs h LYS 75 CO 0.14 0.27 2.52 -1.71 -2.27 0.00 0.00 179.45 178.41 2oqs n ASN 76 N -4.32 3.30 -4.14 4.20 5.15 0.28 -4.86 115.26 114.87 2oqs n ASN 76 Ca -0.01 -2.64 -0.28 0.00 -0.60 0.00 0.00 54.58 51.05 2oqs n ASN 76 Cb 0.24 -1.20 -0.17 0.00 -0.53 0.00 0.00 39.78 38.12 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 4.38 1.63 0.00 -0.44 -4.23 -1.26 -5.00 115.64 110.72 2oqs s THR 77 Ca 0.53 -0.78 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 2oqs s THR 77 Cb 0.14 -1.43 0.00 0.00 1.34 0.00 0.00 72.50 72.55 2oqs s THR 77 CO 0.06 0.47 0.00 -1.20 -0.54 0.00 0.00 174.62 173.40 2oqs n SER 78 N 3.54 0.00 -0.10 3.99 7.64 -1.26 -5.01 113.62 122.42 2oqs n SER 78 Ca -0.20 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.47 2oqs n SER 78 Cb 0.52 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.65 2oqs n SER 78 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2oqs n ASP 79 N -1.07 1.60 -4.35 6.43 5.75 -1.26 -4.81 116.55 118.84 2oqs n ASP 79 Ca 0.00 0.21 -0.18 0.00 -0.01 0.00 0.00 54.79 54.81 2oqs n ASP 79 Cb 0.00 -0.57 -0.10 0.00 -1.03 0.00 0.00 41.12 39.42 2oqs n ASP 79 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2oqs s PHE 80 N -2.38 1.63 -0.05 2.11 5.36 -1.26 -1.59 117.98 121.79 2oqs s PHE 80 Ca -0.29 -0.87 -0.02 0.00 -0.96 0.00 0.00 56.93 54.79 2oqs s PHE 80 Cb 0.11 -0.94 0.04 0.00 -0.34 0.00 0.00 43.02 41.89 2oqs s PHE 80 CO 0.38 0.03 0.11 0.54 -1.46 0.00 0.00 175.22 174.82 2oqs s VAL 81 N -3.33 -0.11 -0.63 3.12 0.11 -0.51 -4.89 120.40 114.16 2oqs s VAL 81 Ca 0.28 0.27 -0.19 0.00 -2.93 0.00 0.00 61.98 59.42 2oqs s VAL 81 Cb 0.05 -0.20 0.11 0.00 -1.53 0.00 0.00 36.38 34.82 2oqs s VAL 81 CO 0.09 0.11 0.74 -0.47 -3.33 0.00 0.00 175.10 172.25 2oqs s TYR 82 N 1.59 3.05 -0.19 1.54 6.14 -1.26 -2.27 117.35 125.95 2oqs s TYR 82 Ca -0.04 -1.06 -0.22 0.00 0.64 0.00 0.00 57.07 56.39 2oqs s TYR 82 Cb -0.12 -4.03 -0.02 0.00 0.42 0.00 0.00 41.96 38.21 2oqs s TYR 82 CO -0.05 -1.30 0.70 -1.17 0.64 0.00 0.00 175.55 174.37 2oqs s LEU 83 N 2.53 4.16 -0.34 6.97 2.96 -1.08 -1.99 118.68 131.88 2oqs s LEU 83 Ca 0.14 0.95 -0.05 0.00 -0.22 0.00 0.00 54.13 54.95 2oqs s LEU 83 Cb -0.22 -3.00 0.06 0.00 0.50 0.00 0.00 46.19 43.53 2oqs s LEU 83 CO 0.04 -0.31 0.09 -0.54 -1.32 0.00 0.00 176.35 174.31 2oqs s LYS 84 N 1.98 2.47 -0.15 1.98 -0.14 0.93 -1.33 119.74 125.48 2oqs s LYS 84 Ca 0.32 -1.32 -0.06 0.00 -1.36 0.00 0.00 55.97 53.55 2oqs s LYS 84 Cb -0.16 -3.41 -0.04 0.00 -1.68 0.00 0.00 37.83 32.54 2oqs s LYS 84 CO 0.11 -0.73 0.06 0.08 -0.76 0.00 0.00 175.35 174.11 2oqs s VAL 85 N 1.32 4.79 0.22 3.17 1.01 -0.34 0.12 120.40 130.68 2oqs s VAL 85 Ca -0.01 -0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.76 2oqs s VAL 85 Cb -0.20 -3.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.98 2oqs s VAL 85 CO 0.00 0.52 0.65 0.00 0.00 0.00 0.00 175.10 176.28 2oqs s ALA 86 N -0.12 3.46 -0.19 5.51 0.00 -0.93 -1.93 121.76 127.57 2oqs s ALA 86 Ca 0.07 0.01 -0.17 0.00 0.00 0.00 0.00 51.96 51.87 2oqs s ALA 86 Cb -0.12 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 2oqs s ALA 86 CO 0.01 0.39 0.43 0.15 0.00 0.00 0.00 175.76 176.74 2oqs s LYS 87 N -2.22 4.20 0.41 0.00 3.01 -1.26 -4.43 119.74 119.44 2oqs s LYS 87 Ca 0.44 0.27 -0.26 0.00 -1.01 0.00 0.00 55.97 55.41 2oqs s LYS 87 Cb -0.14 -3.53 -0.10 0.00 -1.01 0.00 0.00 37.83 33.05 2oqs s LYS 87 CO 0.20 -0.03 1.25 -2.30 0.51 0.00 0.00 175.35 174.97 2oqs n PRO 88 N 4.41 1.89 -3.97 -1.68 -0.02 -1.26 -5.03 135.00 129.34 2oqs n PRO 88 Ca -0.08 0.67 -0.09 0.00 -2.02 0.00 0.00 63.50 61.99 2oqs n PRO 88 Cb 0.51 -2.34 -0.08 0.00 -0.02 0.00 0.00 33.50 31.57 2oqs n PRO 88 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2oqs s THR 89 N -1.19 0.12 -0.30 3.45 -4.23 -1.26 -5.17 115.64 107.07 2oqs s THR 89 Ca 0.61 -1.46 -0.16 0.00 -1.18 0.00 0.00 61.69 59.49 2oqs s THR 89 Cb -0.52 -1.64 0.19 0.00 1.34 0.00 0.00 72.50 71.87 2oqs s THR 89 CO 0.58 -0.57 1.18 -0.83 -0.54 0.00 0.00 174.62 174.45 2oqs s GLY 90 N -2.93 0.37 -0.03 3.99 0.00 -1.26 -5.05 107.32 102.40 2oqs s GLY 90 Ca 0.12 3.60 -0.22 0.00 0.00 0.00 0.00 44.72 48.21 2oqs s GLY 90 CO -0.05 2.86 1.04 1.76 0.00 0.00 0.00 173.10 178.71 2oqs h SER 91 N 5.83 0.36 -0.00 1.64 0.02 -2.07 -3.58 113.55 115.75 2oqs h SER 91 Ca -0.24 -0.79 0.00 0.00 -0.84 0.00 0.00 61.79 59.92 2oqs h SER 91 Cb 1.16 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2oqs h SER 91 CO 0.19 1.11 0.00 1.57 -1.14 0.00 0.00 176.83 178.56