#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 2.77 -0.32 0.03 1.03 -1.26 -0.51 118.70 120.44 2oqs s GLU 2 Ca 0.00 -0.76 0.00 0.00 0.03 0.00 0.00 54.97 54.24 2oqs s GLU 2 Cb 0.00 -2.66 0.14 0.00 -0.80 0.00 0.00 34.13 30.81 2oqs s GLU 2 CO 0.00 0.55 0.28 0.42 -1.33 0.00 0.00 175.26 175.18 2oqs s ILE 3 N -1.41 -0.26 0.04 1.83 1.09 0.41 -5.00 121.20 117.90 2oqs s ILE 3 Ca 0.28 -0.84 -0.04 0.00 -1.10 0.00 0.00 60.65 58.96 2oqs s ILE 3 Cb -0.12 -0.92 -0.05 0.00 -1.06 0.00 0.00 42.46 40.32 2oqs s ILE 3 CO 0.21 -0.61 0.25 -0.75 -0.10 0.00 0.00 174.94 173.94 2oqs s LYS 4 N 1.89 3.52 0.25 2.79 2.20 -1.26 -2.05 119.74 127.07 2oqs s LYS 4 Ca 0.13 -0.22 -0.11 0.00 -0.36 0.00 0.00 55.97 55.41 2oqs s LYS 4 Cb -0.16 -3.03 -0.01 0.00 -1.51 0.00 0.00 37.83 33.12 2oqs s LYS 4 CO -0.21 0.61 0.44 -1.17 -0.36 0.00 0.00 175.35 174.66 2oqs s LEU 5 N -2.15 0.45 -0.13 5.43 2.96 -0.83 -5.01 118.68 119.41 2oqs s LEU 5 Ca 0.32 -1.02 -0.15 0.00 -0.22 0.00 0.00 54.13 53.06 2oqs s LEU 5 Cb -0.13 1.60 -0.05 0.00 0.50 0.00 0.00 46.19 48.11 2oqs s LEU 5 CO 0.21 -1.12 0.36 -0.51 -1.32 0.00 0.00 176.35 173.97 2oqs s ILE 6 N -3.96 5.24 0.08 6.68 2.07 -1.26 -2.60 121.20 127.46 2oqs s ILE 6 Ca 0.25 0.70 -0.37 0.00 -1.41 0.00 0.00 60.65 59.82 2oqs s ILE 6 Cb 0.00 -3.69 -0.17 0.00 0.13 0.00 0.00 42.46 38.73 2oqs s ILE 6 CO 0.10 0.40 1.35 1.17 -1.91 0.00 0.00 174.94 176.05 2oqs n LYS 7 N 3.33 1.16 0.00 3.50 3.00 -1.05 -4.99 118.16 123.11 2oqs n LYS 7 Ca -0.11 0.42 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 2oqs n LYS 7 Cb 0.52 -2.06 0.00 0.00 0.00 0.00 0.00 35.03 33.49 2oqs n LYS 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2oqs n GLY 8 N 2.55 1.63 0.00 3.14 0.00 -1.26 -5.06 105.19 106.19 2oqs n GLY 8 Ca 0.18 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 0.00 0.00 1.61 -0.02 -1.26 -4.67 135.00 130.66 2oqs n PRO 9 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2oqs n PRO 9 Cb 0.00 -0.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 2oqs n PRO 9 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2oqs n LYS 10 N -0.50 0.00 0.00 -0.52 5.02 -1.26 -5.05 118.16 115.86 2oqs n LYS 10 Ca 0.00 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 2oqs n LYS 10 Cb 0.00 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 2oqs n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2oqs n GLY 11 N -0.85 -1.32 0.09 0.72 0.00 -1.26 -5.03 105.19 97.53 2oqs n GLY 11 Ca 0.00 0.73 -0.15 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.48 0.99 3.38 -1.96 -3.40 115.31 113.84 2oqs h LEU 12 Ca 0.00 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2oqs h LEU 12 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2oqs h LEU 12 CO 0.00 1.16 0.00 0.61 0.09 0.00 0.00 178.44 180.30 2oqs n GLY 13 N 1.53 0.91 1.91 0.83 0.00 -1.26 0.84 105.19 109.95 2oqs n GLY 13 Ca -0.20 -0.55 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.30 -1.67 -4.52 1.61 1.16 -1.26 0.89 117.46 111.37 2oqs n PHE 14 Ca 0.00 -0.93 -0.25 0.00 -1.87 0.00 0.00 57.45 54.40 2oqs n PHE 14 Cb 0.37 0.47 -0.09 0.00 -1.61 0.00 0.00 39.48 38.61 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 -2.06 2.82 0.26 5.98 1.04 0.25 -4.87 113.70 117.13 2oqs s SER 15 Ca 0.08 -1.53 -0.18 0.00 0.48 0.00 0.00 55.95 54.80 2oqs s SER 15 Cb -0.02 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.33 2oqs s SER 15 CO 0.06 -0.77 0.62 0.27 0.98 0.00 0.00 173.24 174.41 2oqs s ILE 16 N -3.19 0.00 0.17 -1.02 -0.00 -1.26 -2.85 121.20 113.05 2oqs s ILE 16 Ca 0.27 -1.13 0.01 0.00 -0.00 0.00 0.00 60.65 59.81 2oqs s ILE 16 Cb 0.05 -2.05 -0.05 0.00 -0.00 0.00 0.00 42.46 40.42 2oqs s ILE 16 CO 0.14 -0.00 0.01 0.00 -0.00 0.00 0.00 174.94 175.08 2oqs s ALA 17 N -3.95 1.28 0.00 2.27 0.00 0.65 -4.74 121.76 117.26 2oqs s ALA 17 Ca 0.15 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.53 2oqs s ALA 17 Cb -0.04 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.68 2oqs s ALA 17 CO 0.07 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.89 2oqs n GLY 18 N -0.22 2.83 0.00 0.00 0.00 -1.08 -1.84 105.19 104.88 2oqs n GLY 18 Ca -0.06 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.27 2.42 3.77 -0.02 0.00 -0.94 0.06 105.19 110.21 2oqs n GLY 19 Ca 0.00 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.99 2.48 0.00 1.61 0.11 -1.26 0.69 120.40 121.04 2oqs s VAL 20 Ca 0.00 0.46 0.00 0.00 -2.93 0.00 0.00 61.98 59.51 2oqs s VAL 20 Cb 0.00 -3.30 0.00 0.00 -1.53 0.00 0.00 36.38 31.55 2oqs s VAL 20 CO 0.00 0.10 0.00 0.61 -3.33 0.00 0.00 175.10 172.48 2oqs n GLY 21 N 1.01 2.97 0.56 6.54 0.00 -1.26 -4.64 105.19 110.37 2oqs n GLY 21 Ca 0.02 0.00 0.01 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 0.21 -4.72 1.61 2.04 -0.94 -5.12 115.26 108.34 2oqs n ASN 22 Ca 0.00 -2.06 -0.38 0.00 -0.44 0.00 0.00 54.58 51.69 2oqs n ASN 22 Cb 0.00 -0.22 0.05 0.00 -2.53 0.00 0.00 39.78 37.08 2oqs n ASN 22 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2oqs n GLN 23 N -0.04 1.49 -0.02 -3.83 6.02 0.22 -2.62 117.38 118.61 2oqs n GLN 23 Ca 0.01 0.56 -0.10 0.00 -0.01 0.00 0.00 57.00 57.46 2oqs n GLN 23 Cb 0.74 -2.49 -0.14 0.00 1.02 0.00 0.00 30.24 29.36 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 -1.22 1.05 -4.26 1.08 -0.00 -1.26 -4.79 115.22 105.82 2oqs n HIS 24 Ca 0.12 0.36 -0.22 0.00 -0.00 0.00 0.00 57.72 57.97 2oqs n HIS 24 Cb 0.45 -1.19 -0.17 0.00 -0.00 0.00 0.00 29.99 29.09 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 -2.59 0.75 -0.10 3.57 -1.09 -1.25 -5.07 121.20 115.42 2oqs s ILE 25 Ca -0.07 -0.23 -0.36 0.00 -2.23 0.00 0.00 60.65 57.76 2oqs s ILE 25 Cb 0.08 -0.74 -0.14 0.00 -1.58 0.00 0.00 42.46 40.08 2oqs s ILE 25 CO 0.82 0.28 1.75 -2.65 -1.23 0.00 0.00 174.94 173.90 2oqs n PRO 26 N 4.10 1.77 0.00 2.79 -0.02 -1.26 -1.74 135.00 140.63 2oqs n PRO 26 Ca -0.22 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2oqs n PRO 26 Cb 0.51 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2oqs n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oqs n GLY 27 N 4.02 2.45 3.50 -1.23 0.00 -1.26 -4.97 105.19 107.71 2oqs n GLY 27 Ca 0.23 -0.55 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 6.31 -0.07 1.61 -1.08 -0.71 -4.91 116.67 117.81 2oqs s ASP 28 Ca 0.00 -0.50 0.06 0.00 -0.52 0.00 0.00 52.55 51.59 2oqs s ASP 28 Cb 0.00 -2.35 0.32 0.00 -1.46 0.00 0.00 42.92 39.42 2oqs s ASP 28 CO 0.00 -0.96 1.05 0.59 0.52 0.00 0.00 175.17 176.37 2oqs n ASN 29 N 6.64 2.62 -4.86 -0.34 4.13 -1.26 -3.85 115.26 118.34 2oqs n ASN 29 Ca -0.02 -2.29 -0.31 0.00 1.68 0.00 0.00 54.58 53.64 2oqs n ASN 29 Cb 0.47 -0.49 -0.03 0.00 -1.54 0.00 0.00 39.78 38.19 2oqs n ASN 29 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2oqs s SER 30 N -0.46 6.53 -0.03 6.41 0.01 -1.26 -2.22 113.70 122.68 2oqs s SER 30 Ca 0.21 1.39 -0.30 0.00 1.31 0.00 0.00 55.95 58.57 2oqs s SER 30 Cb 0.15 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 2oqs s SER 30 CO 0.08 -0.56 1.22 -0.63 0.41 0.00 0.00 173.24 173.76 2oqs s ILE 31 N -2.62 4.16 0.09 1.44 -1.09 -1.07 -4.57 121.20 117.54 2oqs s ILE 31 Ca 0.56 1.50 0.10 0.00 -2.23 0.00 0.00 60.65 60.58 2oqs s ILE 31 Cb -0.10 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 2oqs s ILE 31 CO 0.35 0.02 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.50 2oqs s TYR 32 N 2.04 2.29 -0.20 3.97 1.51 -0.77 0.15 117.35 126.34 2oqs s TYR 32 Ca 0.57 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.95 2oqs s TYR 32 Cb -0.26 -1.30 0.00 0.00 -0.11 0.00 0.00 41.96 40.30 2oqs s TYR 32 CO 0.24 0.24 1.07 0.08 -1.11 0.00 0.00 175.55 176.07 2oqs s VAL 33 N -0.95 4.63 -0.13 0.71 1.01 -1.20 -0.25 120.40 124.21 2oqs s VAL 33 Ca 0.13 1.96 0.20 0.00 0.00 0.00 0.00 61.98 64.26 2oqs s VAL 33 Cb -0.10 -4.26 -0.20 0.00 0.00 0.00 0.00 36.38 31.82 2oqs s VAL 33 CO 0.04 -0.15 0.62 0.35 0.00 0.00 0.00 175.10 175.96 2oqs n THR 34 N 5.21 0.73 -3.58 3.92 -2.24 -1.13 -2.61 114.28 114.58 2oqs n THR 34 Ca 0.12 -0.63 -0.01 0.00 -2.27 0.00 0.00 64.05 61.25 2oqs n THR 34 Cb 0.46 -0.38 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 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 -3.12 0.50 -0.22 -0.78 2.36 -1.26 -4.98 119.74 112.24 2oqs s LYS 35 Ca -0.05 1.15 -0.09 0.00 -2.55 0.00 0.00 55.97 54.43 2oqs s LYS 35 Cb 0.10 0.57 -0.04 0.00 -1.05 0.00 0.00 37.83 37.40 2oqs s LYS 35 CO 0.84 -0.15 0.12 0.42 1.55 0.00 0.00 175.35 178.13 2oqs s ILE 36 N 2.43 5.05 0.37 5.43 1.01 -1.26 0.88 121.20 135.10 2oqs s ILE 36 Ca -0.06 0.07 -0.25 0.00 0.00 0.00 0.00 60.65 60.41 2oqs s ILE 36 Cb -0.08 -3.33 -0.10 0.00 0.01 0.00 0.00 42.46 38.96 2oqs s ILE 36 CO -0.18 0.38 1.00 -0.63 0.00 0.00 0.00 174.94 175.50 2oqs s ILE 37 N 0.89 4.00 0.62 2.92 1.09 0.26 -4.94 121.20 126.04 2oqs s ILE 37 Ca 0.06 1.55 -0.19 0.00 -1.10 0.00 0.00 60.65 60.97 2oqs s ILE 37 Cb -0.13 -3.81 -0.02 0.00 -1.06 0.00 0.00 42.46 37.43 2oqs s ILE 37 CO 0.03 0.03 1.29 -0.62 -0.10 0.00 0.00 174.94 175.57 2oqs n GLU 38 N 0.15 1.24 -1.62 2.79 1.02 -1.26 -2.36 120.64 120.60 2oqs n GLU 38 Ca 0.04 0.48 -0.18 0.00 -0.02 0.00 0.00 57.16 57.47 2oqs n GLU 38 Cb 0.50 -2.53 -0.07 0.00 -0.02 0.00 0.00 31.44 29.32 2oqs n GLU 38 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2oqs n GLY 39 N 0.90 1.55 3.96 0.62 0.00 -1.26 -4.96 105.19 106.00 2oqs n GLY 39 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.51 1.77 0.17 -0.02 0.00 -1.00 -4.79 107.32 100.94 2oqs s GLY 40 Ca 0.00 -1.25 -0.18 0.00 0.00 0.00 0.00 44.72 43.29 2oqs s GLY 40 CO 0.00 -0.87 1.64 0.00 0.00 0.00 0.00 173.10 173.87 2oqs h ALA 41 N -0.28 0.15 0.13 3.20 0.00 0.23 0.35 119.26 123.04 2oqs h ALA 41 Ca -0.42 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2oqs h ALA 41 Cb 1.30 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2oqs h ALA 41 CO 0.53 -0.53 -0.06 0.00 0.00 0.00 0.00 179.25 179.18 2oqs h ALA 42 N 1.22 -0.17 -0.76 0.00 0.00 -1.87 -1.73 119.26 115.95 2oqs h ALA 42 Ca 0.20 -0.24 0.16 0.00 0.00 0.00 0.00 54.91 55.03 2oqs h ALA 42 Cb 0.41 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 18.16 2oqs h ALA 42 CO -0.48 -0.31 0.26 1.25 0.00 0.00 0.00 179.25 179.97 2oqs h HIS 43 N -0.75 0.43 -0.11 0.00 6.17 -1.75 0.15 115.15 119.29 2oqs h HIS 43 Ca -0.02 0.04 -0.20 0.00 0.71 0.00 0.00 60.37 60.91 2oqs h HIS 43 Cb 0.54 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 30.40 2oqs h HIS 43 CO 0.09 -0.01 -0.73 0.87 0.71 0.00 0.00 177.93 178.86 2oqs h LYS 44 N 0.36 0.55 0.38 5.26 1.57 -0.37 -3.32 116.57 121.01 2oqs h LYS 44 Ca 0.43 -0.44 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2oqs h LYS 44 Cb 0.72 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2oqs h LYS 44 CO -0.46 1.07 -0.18 0.22 -0.57 0.00 0.00 179.45 179.52 2oqs h ASP 45 N 0.38 -0.43 0.00 0.86 3.58 -0.24 -3.48 116.42 117.09 2oqs h ASP 45 Ca -0.03 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2oqs h ASP 45 Cb 1.32 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.48 2oqs h ASP 45 CO 0.14 -0.12 0.00 0.61 -2.88 0.00 0.00 179.24 176.99 2oqs n GLY 46 N -0.58 3.15 0.29 -0.78 0.00 0.39 -4.90 105.19 102.76 2oqs n GLY 46 Ca -0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 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 0.99 0.99 -5.67 1.61 1.79 -1.93 -3.42 116.57 110.93 2oqs h LYS 47 Ca 0.00 -0.29 -0.59 0.00 -2.18 0.00 0.00 60.65 57.59 2oqs h LYS 47 Cb 0.00 -0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 30.46 2oqs h LYS 47 CO 0.00 0.96 0.02 -1.17 -1.08 0.00 0.00 179.45 178.18 2oqs s LEU 48 N -9.42 4.18 0.01 2.94 0.20 -1.26 -5.06 118.68 110.27 2oqs s LEU 48 Ca -0.12 0.81 0.04 0.00 0.69 0.00 0.00 54.13 55.55 2oqs s LEU 48 Cb 0.13 -2.82 -0.01 0.00 -0.43 0.00 0.00 46.19 43.06 2oqs s LEU 48 CO 0.84 -0.18 -0.12 0.00 -0.29 0.00 0.00 176.35 176.60 2oqs s GLN 49 N 1.49 0.89 -0.17 1.98 0.00 -1.26 -4.63 119.66 117.96 2oqs s GLN 49 Ca 0.28 -0.53 -0.39 0.00 -0.00 0.00 0.00 55.36 54.71 2oqs s GLN 49 Cb -0.16 -0.87 -0.16 0.00 0.00 0.00 0.00 33.01 31.82 2oqs s GLN 49 CO 0.11 0.23 1.59 0.44 0.00 0.00 0.00 175.29 177.66 2oqs n ILE 50 N 2.45 0.19 0.00 3.63 -6.64 -1.26 -2.19 119.36 115.54 2oqs n ILE 50 Ca -0.16 -0.03 0.00 0.00 -1.77 0.00 0.00 62.75 60.79 2oqs n ILE 50 Cb 0.56 -1.03 0.00 0.00 -1.44 0.00 0.00 39.64 37.73 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 3.58 2.14 3.79 3.28 0.00 -1.07 -5.01 105.19 111.90 2oqs n GLY 51 Ca 0.24 0.00 -0.31 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 -1.90 4.89 0.08 1.61 1.47 -0.93 -4.86 116.67 117.04 2oqs s ASP 52 Ca 0.00 1.73 0.05 0.00 1.18 0.00 0.00 52.55 55.51 2oqs s ASP 52 Cb 0.00 -2.51 -0.04 0.00 -0.34 0.00 0.00 42.92 40.03 2oqs s ASP 52 CO 0.00 -1.77 0.00 -1.59 0.68 0.00 0.00 175.17 172.49 2oqs s LYS 53 N -4.97 2.58 -0.49 2.11 -2.85 -1.26 -3.28 119.74 111.59 2oqs s LYS 53 Ca 0.60 -0.82 -0.14 0.00 -1.00 0.00 0.00 55.97 54.61 2oqs s LYS 53 Cb -0.16 -2.56 0.10 0.00 -2.06 0.00 0.00 37.83 33.15 2oqs s LYS 53 CO 0.56 0.55 0.41 -0.51 0.10 0.00 0.00 175.35 176.45 2oqs s LEU 54 N -2.27 5.78 -0.04 2.77 1.43 0.39 -3.50 118.68 123.23 2oqs s LEU 54 Ca 0.26 -1.57 -0.25 0.00 -1.03 0.00 0.00 54.13 51.54 2oqs s LEU 54 Cb -0.12 -2.15 -0.20 0.00 0.03 0.00 0.00 46.19 43.75 2oqs s LEU 54 CO 0.18 -0.71 1.11 0.25 0.23 0.00 0.00 176.35 177.41 2oqs h LEU 55 N 8.73 -0.05 -7.23 1.79 6.46 0.37 -3.32 115.31 122.06 2oqs h LEU 55 Ca -0.28 -0.52 -0.08 0.00 -0.12 0.00 0.00 57.88 56.89 2oqs h LEU 55 Cb 1.10 0.01 -0.19 0.00 -0.73 0.00 0.00 40.66 40.86 2oqs h LEU 55 CO 0.92 0.51 -0.01 0.00 -0.62 0.00 0.00 178.44 179.25 2oqs s ALA 56 N -3.88 -1.32 -0.08 1.25 0.00 -0.50 -0.47 121.76 116.76 2oqs s ALA 56 Ca -0.16 0.79 -0.03 0.00 0.00 0.00 0.00 51.96 52.56 2oqs s ALA 56 Cb 0.01 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.29 2oqs s ALA 56 CO 0.63 -0.37 0.17 0.14 0.00 0.00 0.00 175.76 176.33 2oqs s VAL 57 N -1.57 -0.16 -1.21 0.00 -7.23 0.22 0.39 120.40 110.84 2oqs s VAL 57 Ca -0.10 0.25 -0.01 0.00 -1.81 0.00 0.00 61.98 60.31 2oqs s VAL 57 Cb -0.02 -0.29 0.00 0.00 0.56 0.00 0.00 36.38 36.64 2oqs s VAL 57 CO 0.05 0.11 0.10 0.59 -0.31 0.00 0.00 175.10 175.63 2oqs n ASN 58 N 4.72 -4.52 0.00 4.85 4.13 -1.23 -2.42 115.26 120.79 2oqs n ASN 58 Ca -0.17 -0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.04 2oqs n ASN 58 Cb 0.51 -3.60 0.00 0.00 -1.54 0.00 0.00 39.78 35.14 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 -0.89 0.00 -4.86 6.41 2.85 -1.26 -5.03 115.26 112.47 2oqs n ASN 59 Ca -0.15 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 53.99 2oqs n ASN 59 Cb 0.62 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.58 2oqs n ASN 59 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2oqs s VAL 60 N -1.82 4.82 -0.05 3.44 -7.23 -1.02 -5.06 120.40 113.48 2oqs s VAL 60 Ca 0.00 0.71 -0.25 0.00 -1.81 0.00 0.00 61.98 60.63 2oqs s VAL 60 Cb 0.00 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.28 2oqs s VAL 60 CO 0.00 -0.09 0.75 0.00 -0.31 0.00 0.00 175.10 175.46 2oqs n LEU 62 N 3.77 5.77 -0.01 0.00 7.94 0.38 -4.37 117.00 130.48 2oqs n LEU 62 Ca 0.00 -3.28 0.06 0.00 -1.11 0.00 0.00 56.01 51.69 2oqs n LEU 62 Cb 0.51 -0.72 -0.12 0.00 0.53 0.00 0.00 43.42 43.62 2oqs n LEU 62 CO 0.48 0.85 -0.71 -0.62 -1.11 0.00 0.00 177.39 176.28 2oqs n GLU 63 N -0.33 0.58 -2.72 1.96 1.02 -1.23 -2.60 120.64 117.32 2oqs n GLU 63 Ca 0.40 -0.13 -0.24 0.00 -0.02 0.00 0.00 57.16 57.17 2oqs n GLU 63 Cb 1.33 -1.36 -0.01 0.00 -0.02 0.00 0.00 31.44 31.38 2oqs n GLU 63 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2oqs n GLU 64 N -2.07 2.81 -3.77 3.49 4.71 -1.26 -4.27 120.64 120.27 2oqs n GLU 64 Ca -0.05 -4.33 -0.13 0.00 -0.01 0.00 0.00 57.16 52.64 2oqs n GLU 64 Cb 0.45 -2.05 -0.08 0.00 -1.01 0.00 0.00 31.44 28.74 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 2oqs s VAL 65 N -4.56 0.07 1.02 2.62 -7.23 -1.26 -5.11 120.40 105.94 2oqs s VAL 65 Ca 0.45 -0.57 -0.12 0.00 -1.81 0.00 0.00 61.98 59.93 2oqs s VAL 65 Cb 0.37 -0.70 0.20 0.00 0.56 0.00 0.00 36.38 36.81 2oqs s VAL 65 CO -0.13 -0.31 1.08 -0.89 -0.31 0.00 0.00 175.10 174.54 2oqs s THR 66 N -1.71 2.22 0.32 5.32 2.01 -1.26 -3.77 115.64 118.77 2oqs s THR 66 Ca -0.11 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.02 2oqs s THR 66 Cb -0.04 -2.26 0.31 0.00 0.01 0.00 0.00 72.50 70.52 2oqs s THR 66 CO 0.02 -0.10 1.83 -0.74 -0.69 0.00 0.00 174.62 174.94 2oqs h HIS 67 N -2.09 1.00 -0.62 4.92 2.76 -0.68 -1.14 115.15 119.28 2oqs h HIS 67 Ca -0.53 0.03 0.13 0.00 -2.20 0.00 0.00 60.37 57.80 2oqs h HIS 67 Cb 1.30 -0.31 -0.10 0.00 1.55 0.00 0.00 27.41 29.85 2oqs h HIS 67 CO 0.38 0.32 0.06 1.05 -1.30 0.00 0.00 177.93 178.44 2oqs h GLU 68 N 0.80 0.17 -0.48 5.26 4.11 -1.90 0.70 114.58 123.24 2oqs h GLU 68 Ca 0.51 -0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.89 2oqs h GLU 68 Cb 0.74 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2oqs h GLU 68 CO -0.28 0.11 0.15 0.93 0.07 0.00 0.00 179.01 179.99 2oqs h GLU 69 N 0.18 0.71 -0.83 1.06 3.07 -1.54 0.26 114.58 117.49 2oqs h GLU 69 Ca 0.33 -0.12 0.04 0.00 -0.50 0.00 0.00 59.36 59.10 2oqs h GLU 69 Cb 0.53 -0.12 -0.05 0.00 -0.84 0.00 0.00 28.75 28.27 2oqs h GLU 69 CO -0.48 0.62 0.53 0.00 -1.40 0.00 0.00 179.01 178.28 2oqs h ALA 70 N 1.47 1.09 0.16 3.43 0.00 -0.65 0.30 119.26 125.06 2oqs h ALA 70 Ca 0.16 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.75 2oqs h ALA 70 Cb 0.21 -0.27 0.01 0.00 0.00 0.00 0.00 17.79 17.74 2oqs h ALA 70 CO -0.01 0.34 -1.37 0.28 0.00 0.00 0.00 179.25 178.50 2oqs h VAL 71 N 1.02 1.37 -0.41 0.00 2.07 -0.89 -2.87 116.25 116.53 2oqs h VAL 71 Ca 0.33 -2.92 -0.05 0.00 0.82 0.00 0.00 66.70 64.89 2oqs h VAL 71 Cb 0.03 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 2oqs h VAL 71 CO -0.12 0.86 0.05 0.74 0.02 0.00 0.00 177.57 179.11 2oqs h THR 72 N 0.09 1.21 0.15 2.57 2.02 -0.15 0.33 112.91 119.13 2oqs h THR 72 Ca -0.19 -0.79 -0.28 0.00 0.77 0.00 0.00 66.41 65.92 2oqs h THR 72 Cb 2.03 0.85 0.01 0.00 -1.74 0.00 0.00 68.15 69.30 2oqs h THR 72 CO 0.21 0.28 -1.29 0.00 0.37 0.00 0.00 175.52 175.09 2oqs h ALA 73 N 1.45 0.06 -0.02 6.16 0.00 -1.04 -2.32 119.26 123.55 2oqs h ALA 73 Ca 0.13 -0.89 -0.19 0.00 0.00 0.00 0.00 54.91 53.97 2oqs h ALA 73 Cb 0.31 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2oqs h ALA 73 CO 0.01 0.94 -0.80 -0.07 0.00 0.00 0.00 179.25 179.32 2oqs h LEU 74 N 0.08 0.29 -0.18 0.00 -0.00 -1.31 -3.18 115.31 111.01 2oqs h LEU 74 Ca -0.16 -0.22 -0.09 0.00 -0.00 0.00 0.00 57.88 57.41 2oqs h LEU 74 Cb 2.00 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 42.56 2oqs h LEU 74 CO 0.21 0.98 -0.45 0.07 -0.00 0.00 0.00 178.44 179.25 2oqs h LYS 75 N 0.14 0.00 -4.36 1.13 2.10 -0.41 -3.39 116.57 111.77 2oqs h LYS 75 Ca -0.04 0.00 -0.67 0.00 -2.00 0.00 0.00 60.65 57.94 2oqs h LYS 75 Cb 1.40 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.72 2oqs h LYS 75 CO 0.12 0.45 2.67 0.09 -2.00 0.00 0.00 179.45 180.78 2oqs n ASN 76 N -3.26 3.37 -4.87 7.07 5.03 -0.87 -4.94 115.26 116.79 2oqs n ASN 76 Ca 0.02 -2.78 -0.31 0.00 0.87 0.00 0.00 54.58 52.39 2oqs n ASN 76 Cb 0.68 -1.45 -0.02 0.00 -1.02 0.00 0.00 39.78 37.97 2oqs n ASN 76 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 2oqs s THR 77 N 4.31 4.71 0.00 3.41 -1.32 -1.26 -4.99 115.64 120.49 2oqs s THR 77 Ca 0.52 0.81 0.00 0.00 -1.21 0.00 0.00 61.69 61.81 2oqs s THR 77 Cb 0.13 -3.79 0.00 0.00 -1.51 0.00 0.00 72.50 67.33 2oqs s THR 77 CO 0.01 -0.80 0.00 -1.20 -2.21 0.00 0.00 174.62 170.42 2oqs n SER 78 N -1.94 0.00 -0.10 8.08 7.64 -1.26 -5.07 113.62 120.98 2oqs n SER 78 Ca 0.04 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.69 2oqs n SER 78 Cb 0.54 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.62 2oqs n SER 78 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2oqs n ASP 79 N 0.00 1.96 -4.53 6.43 9.92 -1.26 -4.89 116.55 124.17 2oqs n ASP 79 Ca 0.00 0.27 -0.26 0.00 -0.53 0.00 0.00 54.79 54.28 2oqs n ASP 79 Cb 0.00 -0.82 -0.10 0.00 -0.64 0.00 0.00 41.12 39.55 2oqs n ASP 79 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2oqs s PHE 80 N -2.47 2.20 -0.03 1.24 0.40 -1.26 -2.54 117.98 115.52 2oqs s PHE 80 Ca -0.31 -0.85 -0.01 0.00 -0.60 0.00 0.00 56.93 55.16 2oqs s PHE 80 Cb 0.09 -1.53 0.02 0.00 0.51 0.00 0.00 43.02 42.12 2oqs s PHE 80 CO 0.60 0.21 0.07 0.08 0.70 0.00 0.00 175.22 176.88 2oqs s VAL 81 N -3.00 -0.04 -0.36 -0.44 1.01 -1.07 -4.89 120.40 111.62 2oqs s VAL 81 Ca 0.33 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.48 2oqs s VAL 81 Cb 0.08 -0.13 0.10 0.00 0.00 0.00 0.00 36.38 36.44 2oqs s VAL 81 CO 0.16 0.06 0.08 -0.47 0.00 0.00 0.00 175.10 174.92 2oqs s TYR 82 N 0.77 3.57 0.11 5.22 6.14 -1.26 -1.97 117.35 129.93 2oqs s TYR 82 Ca -0.06 -2.95 -0.24 0.00 0.64 0.00 0.00 57.07 54.45 2oqs s TYR 82 Cb -0.09 -2.84 -0.07 0.00 0.42 0.00 0.00 41.96 39.38 2oqs s TYR 82 CO -0.03 -0.92 0.74 -1.17 0.64 0.00 0.00 175.55 174.81 2oqs s LEU 83 N 0.79 4.54 -0.11 6.97 0.20 -0.87 -3.51 118.68 126.69 2oqs s LEU 83 Ca 0.12 1.52 0.03 0.00 0.69 0.00 0.00 54.13 56.49 2oqs s LEU 83 Cb -0.20 -3.21 0.00 0.00 -0.43 0.00 0.00 46.19 42.36 2oqs s LEU 83 CO -0.08 0.16 -0.23 -0.54 -0.29 0.00 0.00 176.35 175.37 2oqs s LYS 84 N -0.79 3.00 -0.04 1.98 -0.14 0.16 -0.44 119.74 123.46 2oqs s LYS 84 Ca 0.35 -0.86 0.06 0.00 -1.36 0.00 0.00 55.97 54.17 2oqs s LYS 84 Cb -0.22 -2.31 -0.01 0.00 -1.68 0.00 0.00 37.83 33.61 2oqs s LYS 84 CO 0.24 0.11 -0.23 0.08 -0.76 0.00 0.00 175.35 174.79 2oqs s VAL 85 N 0.50 1.85 0.24 3.17 1.01 0.33 0.10 120.40 127.60 2oqs s VAL 85 Ca -0.15 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.67 2oqs s VAL 85 Cb -0.17 -1.55 -0.08 0.00 0.00 0.00 0.00 36.38 34.57 2oqs s VAL 85 CO 0.05 0.52 0.72 0.00 0.00 0.00 0.00 175.10 176.39 2oqs s ALA 86 N -0.30 3.40 -0.35 5.51 0.00 -1.23 -4.67 121.76 124.12 2oqs s ALA 86 Ca 0.02 0.13 -0.10 0.00 0.00 0.00 0.00 51.96 52.01 2oqs s ALA 86 Cb -0.11 -2.80 0.02 0.00 0.00 0.00 0.00 23.12 20.23 2oqs s ALA 86 CO 0.01 0.33 0.18 0.21 0.00 0.00 0.00 175.76 176.49 2oqs s LYS 87 N -2.19 2.98 -0.17 0.00 2.20 -1.26 -4.61 119.74 116.68 2oqs s LYS 87 Ca 0.45 -0.97 -0.29 0.00 -0.36 0.00 0.00 55.97 54.80 2oqs s LYS 87 Cb -0.15 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 2oqs s LYS 87 CO 0.20 -0.60 1.48 -1.25 -0.36 0.00 0.00 175.35 174.82 2oqs s PRO 88 N 1.56 4.04 -0.13 4.03 0.04 -1.26 -5.00 135.00 138.29 2oqs s PRO 88 Ca 0.03 1.75 -0.04 0.00 0.04 0.00 0.00 61.00 62.77 2oqs s PRO 88 Cb -0.18 -3.92 0.05 0.00 0.04 0.00 0.00 34.50 30.49 2oqs s PRO 88 CO 0.06 -0.98 0.10 0.99 0.04 0.00 0.00 177.00 177.22 2oqs s THR 89 N 4.27 -0.14 -1.14 1.26 2.01 -1.26 -4.86 115.64 115.78 2oqs s THR 89 Ca 0.65 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.70 2oqs s THR 89 Cb -0.25 -0.44 0.00 0.00 0.01 0.00 0.00 72.50 71.83 2oqs s THR 89 CO 0.24 -0.10 0.12 0.61 -0.69 0.00 0.00 174.62 174.80 2oqs n GLY 90 N 5.29 -0.18 0.35 4.40 0.00 -1.26 -4.91 105.19 108.89 2oqs n GLY 90 Ca -0.05 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.28 0.89 0.00 1.61 0.02 -1.99 -3.57 113.55 110.23 2oqs h SER 91 Ca -0.34 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 2oqs h SER 91 Cb 1.24 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2oqs h SER 91 CO 0.39 0.48 0.00 0.00 -1.14 0.00 0.00 176.83 176.55