#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 3.52 -0.00 3.17 1.03 -1.26 -3.67 118.70 121.49 2oqs s GLU 2 Ca 0.00 0.91 0.00 0.00 0.03 0.00 0.00 54.97 55.91 2oqs s GLU 2 Cb 0.00 -2.07 -0.00 0.00 -0.80 0.00 0.00 34.13 31.26 2oqs s GLU 2 CO 0.00 -0.63 -0.00 0.42 -1.33 0.00 0.00 175.26 173.71 2oqs s ILE 3 N -2.90 0.04 -0.75 1.83 1.01 -0.98 -5.00 121.20 114.45 2oqs s ILE 3 Ca 0.58 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 61.10 2oqs s ILE 3 Cb -0.12 -0.04 0.20 0.00 0.01 0.00 0.00 42.46 42.50 2oqs s ILE 3 CO 0.46 0.01 0.65 -0.75 0.00 0.00 0.00 174.94 175.31 2oqs s LYS 4 N -0.00 3.25 -0.19 2.79 2.47 -1.26 -2.71 119.74 124.09 2oqs s LYS 4 Ca 0.00 -2.45 -0.10 0.00 -1.56 0.00 0.00 55.97 51.87 2oqs s LYS 4 Cb -0.00 -4.21 -0.05 0.00 -1.46 0.00 0.00 37.83 32.11 2oqs s LYS 4 CO -0.00 -1.25 0.13 -0.51 0.16 0.00 0.00 175.35 173.87 2oqs s LEU 5 N 0.16 4.22 -0.11 5.43 1.43 -1.07 -4.99 118.68 123.76 2oqs s LEU 5 Ca 0.17 0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 53.32 2oqs s LEU 5 Cb -0.14 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 2oqs s LEU 5 CO -0.07 0.20 0.58 -0.51 0.23 0.00 0.00 176.35 176.78 2oqs s ILE 6 N 0.22 5.11 0.04 -0.59 2.07 -1.26 -0.75 121.20 126.04 2oqs s ILE 6 Ca 0.09 1.16 -0.31 0.00 -1.41 0.00 0.00 60.65 60.17 2oqs s ILE 6 Cb -0.11 -3.91 -0.10 0.00 0.13 0.00 0.00 42.46 38.46 2oqs s ILE 6 CO -0.01 0.27 1.91 1.17 -1.91 0.00 0.00 174.94 176.36 2oqs n LYS 7 N 3.93 2.71 0.00 3.50 3.00 -0.51 -4.95 118.16 125.83 2oqs n LYS 7 Ca -0.04 0.99 0.00 0.00 -0.00 0.00 0.00 58.31 59.26 2oqs n LYS 7 Cb 0.51 -2.91 0.00 0.00 0.00 0.00 0.00 35.03 32.64 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 4.41 2.90 0.00 3.14 0.00 -1.26 -4.94 105.19 109.43 2oqs n GLY 8 Ca 0.20 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.35 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 0.22 1.61 -0.02 -1.26 -4.37 135.00 131.17 2oqs n PRO 9 Ca 0.00 0.11 -0.08 0.00 -2.02 0.00 0.00 63.50 61.51 2oqs n PRO 9 Cb 0.00 -1.05 -0.04 0.00 -0.02 0.00 0.00 33.50 32.39 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 -0.53 0.00 -0.52 1.57 -2.01 -3.50 116.57 111.58 2oqs h LYS 10 Ca 0.00 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2oqs h LYS 10 Cb 0.00 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2oqs h LYS 10 CO 0.00 -0.35 0.00 0.41 -0.57 0.00 0.00 179.45 178.94 2oqs n GLY 11 N -1.17 -0.60 0.11 3.86 0.00 -1.26 -4.96 105.19 101.18 2oqs n GLY 11 Ca -0.07 0.20 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 0.20 -1.02 0.99 4.07 -1.96 -3.40 115.31 114.19 2oqs h LEU 12 Ca 0.00 -0.75 -0.03 0.00 0.08 0.00 0.00 57.88 57.18 2oqs h LEU 12 Cb 0.00 -0.07 0.01 0.00 1.08 0.00 0.00 40.66 41.69 2oqs h LEU 12 CO 0.00 1.54 -0.05 0.61 -1.08 0.00 0.00 178.44 179.45 2oqs n GLY 13 N 1.64 0.82 1.30 0.83 0.00 -1.26 0.28 105.19 108.81 2oqs n GLY 13 Ca -0.27 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.65 -1.19 -4.48 1.61 1.16 -1.26 -0.15 117.46 110.50 2oqs n PHE 14 Ca -0.00 -0.55 -0.23 0.00 -1.87 0.00 0.00 57.45 54.80 2oqs n PHE 14 Cb 0.51 0.27 -0.10 0.00 -1.61 0.00 0.00 39.48 38.55 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 -1.77 2.57 0.29 5.98 1.04 0.96 -4.89 113.70 117.89 2oqs s SER 15 Ca 0.07 -1.49 -0.17 0.00 0.48 0.00 0.00 55.95 54.84 2oqs s SER 15 Cb -0.01 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.26 2oqs s SER 15 CO 0.03 -0.73 0.64 0.27 0.98 0.00 0.00 173.24 174.44 2oqs s ILE 16 N -3.26 0.00 0.18 -1.02 -0.00 -1.26 -2.41 121.20 113.43 2oqs s ILE 16 Ca 0.31 -1.16 0.00 0.00 -0.00 0.00 0.00 60.65 59.80 2oqs s ILE 16 Cb 0.06 -2.24 -0.04 0.00 -0.00 0.00 0.00 42.46 40.24 2oqs s ILE 16 CO 0.15 0.00 0.06 0.00 -0.00 0.00 0.00 174.94 175.15 2oqs s ALA 17 N -3.65 1.18 0.00 2.27 0.00 0.93 -4.74 121.76 117.75 2oqs s ALA 17 Ca 0.16 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.51 2oqs s ALA 17 Cb -0.04 0.93 0.00 0.00 0.00 0.00 0.00 23.12 24.01 2oqs s ALA 17 CO 0.09 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.80 2oqs n GLY 18 N -0.22 2.52 0.00 0.00 0.00 -1.14 -1.90 105.19 104.46 2oqs n GLY 18 Ca -0.03 0.14 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 2.49 3.77 -0.02 0.00 -0.58 0.04 105.19 110.89 2oqs n GLY 19 Ca 0.00 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.97 2.58 0.00 1.61 0.11 -1.26 0.51 120.40 120.98 2oqs s VAL 20 Ca 0.00 0.55 0.00 0.00 -2.93 0.00 0.00 61.98 59.60 2oqs s VAL 20 Cb 0.00 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 31.52 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 0.69 2.99 0.43 6.54 0.00 -1.26 -4.61 105.19 109.96 2oqs n GLY 21 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 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 0.14 0.70 -4.74 1.61 6.94 -1.00 -5.11 115.26 113.80 2oqs n ASN 22 Ca 0.00 -2.32 -0.37 0.00 -0.02 0.00 0.00 54.58 51.87 2oqs n ASN 22 Cb 0.00 -0.27 0.06 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 s GLN 23 N -0.83 2.74 0.17 -3.83 1.03 0.18 -2.87 119.66 116.25 2oqs s GLN 23 Ca 0.11 2.04 0.20 0.00 0.04 0.00 0.00 55.36 57.76 2oqs s GLN 23 Cb 0.10 -1.93 -0.03 0.00 0.03 0.00 0.00 33.01 31.17 2oqs s GLN 23 CO -0.00 -1.45 0.99 1.25 -2.54 0.00 0.00 175.29 173.55 2oqs h HIS 24 N 0.77 0.00 -2.83 9.60 -0.00 -1.80 -3.45 115.15 117.44 2oqs h HIS 24 Ca -0.51 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 59.71 2oqs h HIS 24 Cb 1.32 0.00 -0.28 0.00 -0.00 0.00 0.00 27.41 28.45 2oqs h HIS 24 CO 0.43 0.20 -0.39 0.42 -0.00 0.00 0.00 177.93 178.60 2oqs s ILE 25 N -3.21 -0.03 -0.02 6.26 1.01 -1.25 -5.06 121.20 118.90 2oqs s ILE 25 Ca -0.01 0.12 -0.36 0.00 0.00 0.00 0.00 60.65 60.40 2oqs s ILE 25 Cb 0.09 -0.50 -0.14 0.00 0.01 0.00 0.00 42.46 41.92 2oqs s ILE 25 CO 0.79 0.05 1.67 -2.65 0.00 0.00 0.00 174.94 174.80 2oqs n PRO 26 N 4.23 1.79 0.00 2.79 -0.02 -1.26 -2.19 135.00 140.34 2oqs n PRO 26 Ca -0.24 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2oqs n PRO 26 Cb 0.54 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 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 3.74 2.88 3.51 -1.23 0.00 -1.26 -4.99 105.19 107.84 2oqs n GLY 27 Ca 0.21 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 2oqs n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2oqs s ASP 28 N 0.00 6.23 -0.08 1.61 1.01 -0.93 -4.93 116.67 119.58 2oqs s ASP 28 Ca 0.00 -0.44 0.09 0.00 0.71 0.00 0.00 52.55 52.90 2oqs s ASP 28 Cb 0.00 -2.24 0.40 0.00 1.01 0.00 0.00 42.92 42.09 2oqs s ASP 28 CO 0.00 -0.55 1.18 0.59 0.21 0.00 0.00 175.17 176.60 2oqs n ASN 29 N 5.68 3.01 -3.48 0.27 3.02 -1.26 -3.95 115.26 118.55 2oqs n ASN 29 Ca -0.06 -2.33 -0.28 0.00 -0.03 0.00 0.00 54.58 51.88 2oqs n ASN 29 Cb 0.48 -0.49 0.23 0.00 -0.61 0.00 0.00 39.78 39.39 2oqs n ASN 29 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2oqs n SER 30 N 0.41 -1.99 -4.57 6.41 7.64 -1.26 -1.53 113.62 118.73 2oqs n SER 30 Ca 0.14 -1.12 -0.40 0.00 1.01 0.00 0.00 58.87 58.50 2oqs n SER 30 Cb 0.61 -0.93 -0.09 0.00 -1.01 0.00 0.00 64.21 62.79 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 -2.84 5.18 0.06 0.44 1.09 -0.91 -4.09 121.20 120.12 2oqs s ILE 31 Ca 0.66 0.22 0.08 0.00 -1.10 0.00 0.00 60.65 60.51 2oqs s ILE 31 Cb -0.06 -3.76 -0.03 0.00 -1.06 0.00 0.00 42.46 37.54 2oqs s ILE 31 CO 0.50 0.01 -0.21 -0.31 -0.10 0.00 0.00 174.94 174.83 2oqs s TYR 32 N 2.02 2.47 0.32 3.97 1.51 -0.80 0.14 117.35 126.98 2oqs s TYR 32 Ca 0.12 -0.31 -0.28 0.00 -1.01 0.00 0.00 57.07 55.59 2oqs s TYR 32 Cb -0.16 -1.41 -0.10 0.00 -0.11 0.00 0.00 41.96 40.18 2oqs s TYR 32 CO 0.11 0.24 1.18 0.08 -1.11 0.00 0.00 175.55 176.05 2oqs s VAL 33 N -0.93 3.18 -0.09 0.71 1.01 -1.21 -0.05 120.40 123.02 2oqs s VAL 33 Ca 0.14 1.15 0.04 0.00 0.00 0.00 0.00 61.98 63.31 2oqs s VAL 33 Cb -0.10 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 2oqs s VAL 33 CO 0.05 0.24 -0.02 0.35 0.00 0.00 0.00 175.10 175.72 2oqs n THR 34 N 0.83 0.55 -3.65 3.92 -2.24 -1.01 -3.76 114.28 108.92 2oqs n THR 34 Ca 0.00 -0.28 -0.03 0.00 -2.27 0.00 0.00 64.05 61.47 2oqs n THR 34 Cb 0.44 -0.82 -0.05 0.00 -2.10 0.00 0.00 70.33 67.80 2oqs n THR 34 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2oqs s LYS 35 N -2.19 0.51 -0.30 -0.78 -0.14 -1.26 -4.96 119.74 110.62 2oqs s LYS 35 Ca -0.08 1.34 -0.16 0.00 -1.36 0.00 0.00 55.97 55.71 2oqs s LYS 35 Cb 0.03 0.72 -0.02 0.00 -1.68 0.00 0.00 37.83 36.88 2oqs s LYS 35 CO 0.28 -0.21 0.42 0.42 -0.76 0.00 0.00 175.35 175.49 2oqs s ILE 36 N 2.80 5.13 0.37 2.17 1.01 -1.26 -0.03 121.20 131.39 2oqs s ILE 36 Ca -0.05 0.46 -0.25 0.00 0.00 0.00 0.00 60.65 60.81 2oqs s ILE 36 Cb -0.12 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.47 2oqs s ILE 36 CO -0.17 0.02 1.06 -0.63 0.00 0.00 0.00 174.94 175.22 2oqs s ILE 37 N 2.16 3.65 0.49 2.92 1.09 0.79 -4.96 121.20 127.34 2oqs s ILE 37 Ca 0.16 1.35 -0.23 0.00 -1.10 0.00 0.00 60.65 60.82 2oqs s ILE 37 Cb -0.16 -3.74 -0.07 0.00 -1.06 0.00 0.00 42.46 37.43 2oqs s ILE 37 CO 0.11 0.09 1.31 1.21 -0.10 0.00 0.00 174.94 177.56 2oqs n GLU 38 N 0.21 1.83 -1.78 2.79 2.13 -1.26 -2.08 120.64 122.48 2oqs n GLU 38 Ca 0.04 0.66 -0.21 0.00 0.66 0.00 0.00 57.16 58.31 2oqs n GLU 38 Cb 0.48 -2.49 -0.07 0.00 0.27 0.00 0.00 31.44 29.64 2oqs n GLU 38 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2oqs n GLY 39 N 0.78 1.44 3.95 8.31 0.00 -1.26 -4.97 105.19 113.44 2oqs n GLY 39 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.60 1.72 0.18 -0.02 0.00 -0.88 -4.81 107.32 100.89 2oqs s GLY 40 Ca 0.00 -1.10 -0.21 0.00 0.00 0.00 0.00 44.72 43.41 2oqs s GLY 40 CO 0.00 -0.81 1.61 0.00 0.00 0.00 0.00 173.10 173.89 2oqs h ALA 41 N -0.04 -0.02 0.06 3.20 0.00 -0.39 0.27 119.26 122.34 2oqs h ALA 41 Ca -0.44 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 2oqs h ALA 41 Cb 1.29 0.65 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2oqs h ALA 41 CO 0.56 -0.65 -0.03 0.00 0.00 0.00 0.00 179.25 179.14 2oqs h ALA 42 N 0.99 -0.08 -0.70 0.00 0.00 -1.86 -1.80 119.26 115.81 2oqs h ALA 42 Ca 0.21 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 55.03 2oqs h ALA 42 Cb 0.51 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.23 2oqs h ALA 42 CO -0.57 -0.30 0.12 1.25 0.00 0.00 0.00 179.25 179.75 2oqs h HIS 43 N -0.57 0.17 -0.19 0.00 6.17 -1.71 0.81 115.15 119.82 2oqs h HIS 43 Ca -0.01 0.04 -0.16 0.00 0.71 0.00 0.00 60.37 60.95 2oqs h HIS 43 Cb 0.50 0.03 -0.01 0.00 2.52 0.00 0.00 27.41 30.45 2oqs h HIS 43 CO 0.09 -0.11 -0.56 0.87 0.71 0.00 0.00 177.93 178.93 2oqs h LYS 44 N 0.22 0.59 0.29 5.26 1.57 -0.51 -3.28 116.57 120.70 2oqs h LYS 44 Ca 0.39 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2oqs h LYS 44 Cb 0.65 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.01 2oqs h LYS 44 CO -0.52 0.99 -0.14 0.22 -0.57 0.00 0.00 179.45 179.43 2oqs h ASP 45 N 0.45 -0.33 0.00 0.86 1.82 -0.21 -3.47 116.42 115.53 2oqs h ASP 45 Ca 0.01 -0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 2oqs h ASP 45 Cb 1.11 0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.21 2oqs h ASP 45 CO 0.11 -0.10 0.00 0.61 -1.61 0.00 0.00 179.24 178.25 2oqs n GLY 46 N -0.81 3.10 0.27 -0.78 0.00 0.12 -4.87 105.19 102.22 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 1.16 0.85 -5.68 1.61 1.57 -1.92 -3.42 116.57 110.74 2oqs h LYS 47 Ca 0.00 -0.35 -0.59 0.00 -1.87 0.00 0.00 60.65 57.83 2oqs h LYS 47 Cb 0.00 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.18 2oqs h LYS 47 CO 0.00 0.99 0.08 -1.17 -0.57 0.00 0.00 179.45 178.78 2oqs s LEU 48 N -8.95 4.17 0.02 2.94 0.20 -1.26 -4.97 118.68 110.82 2oqs s LEU 48 Ca -0.10 0.84 0.04 0.00 0.69 0.00 0.00 54.13 55.60 2oqs s LEU 48 Cb 0.13 -2.87 -0.02 0.00 -0.43 0.00 0.00 46.19 43.00 2oqs s LEU 48 CO 0.85 -0.23 -0.12 0.00 -0.29 0.00 0.00 176.35 176.56 2oqs s GLN 49 N 1.70 0.87 -0.14 1.98 0.00 -1.26 -4.69 119.66 118.13 2oqs s GLN 49 Ca 0.29 -0.59 -0.39 0.00 -0.00 0.00 0.00 55.36 54.66 2oqs s GLN 49 Cb -0.16 -0.85 -0.17 0.00 0.00 0.00 0.00 33.01 31.84 2oqs s GLN 49 CO 0.11 0.22 1.55 0.44 0.00 0.00 0.00 175.29 177.60 2oqs n ILE 50 N 2.26 0.16 0.00 3.63 -6.64 -1.26 -2.27 119.36 115.24 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 0.55 -0.96 0.00 0.00 -1.44 0.00 0.00 39.64 37.79 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 3.41 1.85 3.77 3.28 0.00 -1.25 -5.03 105.19 111.22 2oqs n GLY 51 Ca 0.23 0.00 -0.32 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 -1.73 4.77 0.07 1.61 1.47 -0.96 -4.87 116.67 117.03 2oqs s ASP 52 Ca 0.00 1.84 0.06 0.00 1.18 0.00 0.00 52.55 55.63 2oqs s ASP 52 Cb 0.00 -2.53 -0.04 0.00 -0.34 0.00 0.00 42.92 40.02 2oqs s ASP 52 CO 0.00 -1.86 -0.08 -1.59 0.68 0.00 0.00 175.17 172.33 2oqs s LYS 53 N -4.70 2.32 -0.55 2.11 0.00 -1.26 -3.31 119.74 114.35 2oqs s LYS 53 Ca 0.62 -0.90 -0.19 0.00 0.00 0.00 0.00 55.97 55.50 2oqs s LYS 53 Cb -0.18 -2.40 0.08 0.00 0.00 0.00 0.00 37.83 35.34 2oqs s LYS 53 CO 0.52 0.54 0.67 -0.51 0.00 0.00 0.00 175.35 176.57 2oqs s LEU 54 N -1.96 5.18 -0.01 2.77 1.43 0.36 -2.23 118.68 124.22 2oqs s LEU 54 Ca 0.21 -1.19 -0.25 0.00 -1.03 0.00 0.00 54.13 51.86 2oqs s LEU 54 Cb -0.11 -2.37 -0.19 0.00 0.03 0.00 0.00 46.19 43.55 2oqs s LEU 54 CO 0.12 -1.02 1.27 0.25 0.23 0.00 0.00 176.35 177.21 2oqs h LEU 55 N 9.87 -0.07 -7.45 1.79 5.85 0.46 -3.32 115.31 122.44 2oqs h LEU 55 Ca -0.29 -0.39 -0.09 0.00 0.84 0.00 0.00 57.88 57.95 2oqs h LEU 55 Cb 1.09 0.02 -0.18 0.00 0.37 0.00 0.00 40.66 41.96 2oqs h LEU 55 CO 1.04 0.36 -0.18 0.00 -0.34 0.00 0.00 178.44 179.33 2oqs s ALA 56 N -4.46 -0.90 -0.26 1.25 0.00 0.48 -1.13 121.76 116.74 2oqs s ALA 56 Ca -0.15 0.29 -0.00 0.00 0.00 0.00 0.00 51.96 52.10 2oqs s ALA 56 Cb 0.02 0.24 0.08 0.00 0.00 0.00 0.00 23.12 23.45 2oqs s ALA 56 CO 0.64 -0.38 0.03 0.08 0.00 0.00 0.00 175.76 176.12 2oqs s VAL 57 N -2.08 1.16 -1.19 0.00 1.01 0.41 0.20 120.40 119.92 2oqs s VAL 57 Ca -0.08 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 60.66 2oqs s VAL 57 Cb -0.02 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.70 2oqs s VAL 57 CO 0.00 -0.36 1.00 0.59 0.00 0.00 0.00 175.10 176.33 2oqs n ASN 58 N 4.78 -2.54 0.00 3.32 4.13 -0.84 -2.43 115.26 121.68 2oqs n ASN 58 Ca -0.07 -0.60 0.00 0.00 1.68 0.00 0.00 54.58 55.60 2oqs n ASN 58 Cb 0.44 -5.01 0.00 0.00 -1.54 0.00 0.00 39.78 33.67 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 -3.06 0.00 -4.88 6.41 5.15 -1.26 -5.02 115.26 112.60 2oqs n ASN 59 Ca -0.25 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.42 2oqs n ASN 59 Cb 0.65 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.85 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 -1.74 4.96 -0.11 3.44 -7.23 -1.02 -5.06 120.40 113.64 2oqs s VAL 60 Ca 0.00 0.39 -0.22 0.00 -1.81 0.00 0.00 61.98 60.34 2oqs s VAL 60 Cb 0.00 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.28 2oqs s VAL 60 CO 0.00 -0.09 0.64 0.00 -0.31 0.00 0.00 175.10 175.34 2oqs n LEU 62 N 4.09 6.41 -0.00 0.00 7.94 -0.28 -4.32 117.00 130.84 2oqs n LEU 62 Ca -0.02 -3.75 0.04 0.00 -1.11 0.00 0.00 56.01 51.16 2oqs n LEU 62 Cb 0.51 -0.82 -0.06 0.00 0.53 0.00 0.00 43.42 43.59 2oqs n LEU 62 CO 0.45 1.17 -0.56 1.21 -1.11 0.00 0.00 177.39 178.55 2oqs n GLU 63 N -1.11 0.44 -2.36 1.96 4.07 -1.25 -2.15 120.64 120.25 2oqs n GLU 63 Ca 0.56 -0.06 -0.21 0.00 -0.06 0.00 0.00 57.16 57.38 2oqs n GLU 63 Cb 1.42 -1.16 0.02 0.00 -0.06 0.00 0.00 31.44 31.66 2oqs n GLU 63 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2oqs n GLU 64 N -1.72 3.08 -4.09 5.31 4.71 -1.26 -4.24 120.64 122.42 2oqs n GLU 64 Ca -0.01 -4.15 -0.09 0.00 -0.01 0.00 0.00 57.16 52.90 2oqs n GLU 64 Cb 0.19 -2.09 -0.10 0.00 -1.01 0.00 0.00 31.44 28.43 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 -4.75 0.35 0.00 2.62 -7.23 -1.26 -5.12 120.40 105.00 2oqs s VAL 65 Ca 0.45 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 2oqs s VAL 65 Cb 0.40 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 36.05 2oqs s VAL 65 CO -0.06 -0.84 0.00 0.41 -0.31 0.00 0.00 175.10 174.29 2oqs n THR 66 N 0.41 0.00 0.05 5.32 -1.04 -1.26 -2.90 114.28 114.85 2oqs n THR 66 Ca -0.16 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.67 2oqs n THR 66 Cb 0.60 -0.97 -0.09 0.00 -1.82 0.00 0.00 70.33 68.05 2oqs n THR 66 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2oqs h HIS 67 N -1.49 0.92 -0.75 -1.42 2.76 -0.71 -2.77 115.15 111.69 2oqs h HIS 67 Ca 0.00 -0.50 0.14 0.00 -2.20 0.00 0.00 60.37 57.82 2oqs h HIS 67 Cb 0.00 -0.11 -0.10 0.00 1.55 0.00 0.00 27.41 28.76 2oqs h HIS 67 CO 0.00 1.33 0.28 1.05 -1.30 0.00 0.00 177.93 179.29 2oqs h GLU 68 N 0.35 0.40 -0.23 5.26 9.09 -1.93 0.16 114.58 127.68 2oqs h GLU 68 Ca -0.11 -0.02 -0.12 0.00 0.05 0.00 0.00 59.36 59.15 2oqs h GLU 68 Cb 1.66 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 28.65 2oqs h GLU 68 CO 0.19 0.27 -0.38 1.49 0.05 0.00 0.00 179.01 180.63 2oqs h GLU 69 N 0.42 0.53 -0.63 1.06 4.22 -1.91 0.19 114.58 118.45 2oqs h GLU 69 Ca 0.41 -0.26 0.04 0.00 0.08 0.00 0.00 59.36 59.63 2oqs h GLU 69 Cb 0.63 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.84 2oqs h GLU 69 CO -0.42 0.83 0.37 0.00 -2.18 0.00 0.00 179.01 177.62 2oqs h ALA 70 N 1.15 0.83 0.12 2.92 0.00 -0.47 0.23 119.26 124.03 2oqs h ALA 70 Ca 0.04 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.67 2oqs h ALA 70 Cb 0.86 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2oqs h ALA 70 CO 0.07 0.10 -1.28 0.28 0.00 0.00 0.00 179.25 178.42 2oqs h VAL 71 N 0.72 1.45 -0.71 0.00 2.07 -0.97 -2.87 116.25 115.95 2oqs h VAL 71 Ca 0.26 -3.04 -0.03 0.00 0.82 0.00 0.00 66.70 64.71 2oqs h VAL 71 Cb 0.07 2.91 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 2oqs h VAL 71 CO -0.13 0.88 0.31 0.74 0.02 0.00 0.00 177.57 179.39 2oqs h THR 72 N 0.07 1.23 0.06 2.57 2.02 -0.28 0.25 112.91 118.84 2oqs h THR 72 Ca -0.15 -0.70 -0.25 0.00 0.77 0.00 0.00 66.41 66.09 2oqs h THR 72 Cb 1.97 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 2oqs h THR 72 CO 0.19 0.29 -1.07 0.00 0.37 0.00 0.00 175.52 175.30 2oqs h ALA 73 N 1.33 0.25 -0.01 6.16 0.00 -1.05 0.60 119.26 126.54 2oqs h ALA 73 Ca 0.24 -0.78 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 2oqs h ALA 73 Cb 0.15 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2oqs h ALA 73 CO -0.03 0.87 -0.63 -0.07 0.00 0.00 0.00 179.25 179.40 2oqs h LEU 74 N 0.16 0.03 0.00 0.00 -0.00 -1.26 -3.10 115.31 111.15 2oqs h LEU 74 Ca -0.11 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.75 2oqs h LEU 74 Cb 1.74 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.39 2oqs h LEU 74 CO 0.18 0.65 -0.96 2.29 -0.00 0.00 0.00 178.44 180.61 2oqs n LYS 75 N -3.80 0.54 0.17 1.13 2.85 0.87 -4.07 118.16 115.85 2oqs n LYS 75 Ca -0.01 0.11 0.16 0.00 -1.05 0.00 0.00 58.31 57.52 2oqs n LYS 75 Cb 0.63 -1.79 0.77 0.00 -0.65 0.00 0.00 35.03 33.99 2oqs n LYS 75 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 2oqs h ASN 76 N 0.00 0.00 -0.68 -5.58 -1.24 -0.79 -3.44 115.58 103.85 2oqs h ASN 76 Ca 0.00 0.00 -0.58 0.00 0.71 0.00 0.00 56.30 56.43 2oqs h ASN 76 Cb 0.95 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.01 2oqs h ASN 76 CO 0.00 0.00 0.37 0.35 -1.29 0.00 0.00 177.43 176.86 2oqs n THR 77 N -4.03 0.00 0.00 -3.57 -2.24 -1.26 -4.92 114.28 98.26 2oqs n THR 77 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2oqs n THR 77 Cb 0.35 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 2oqs n THR 77 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2oqs n SER 78 N 2.32 0.00 -0.09 3.42 7.64 -1.26 -4.96 113.62 120.69 2oqs n SER 78 Ca 0.19 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.85 2oqs n SER 78 Cb -0.02 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.06 2oqs n SER 78 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2oqs h ASP 79 N 0.00 0.05 -3.41 6.43 1.82 -1.94 -3.43 116.42 115.94 2oqs h ASP 79 Ca 0.00 -0.56 -0.48 0.00 -0.39 0.00 0.00 57.03 55.60 2oqs h ASP 79 Cb 0.00 -0.02 -0.14 0.00 0.68 0.00 0.00 39.33 39.86 2oqs h ASP 79 CO 0.00 1.53 -0.58 0.12 -1.61 0.00 0.00 179.24 178.70 2oqs s PHE 80 N -2.39 1.84 -0.07 0.28 5.36 -1.26 -1.43 117.98 120.31 2oqs s PHE 80 Ca -0.28 -1.09 -0.03 0.00 -0.96 0.00 0.00 56.93 54.57 2oqs s PHE 80 Cb 0.06 -1.18 0.04 0.00 -0.34 0.00 0.00 43.02 41.60 2oqs s PHE 80 CO 0.61 -0.14 0.11 0.54 -1.46 0.00 0.00 175.22 174.89 2oqs s VAL 81 N -3.35 -0.19 -0.56 3.12 0.11 0.07 -4.78 120.40 114.82 2oqs s VAL 81 Ca 0.33 0.37 -0.14 0.00 -2.93 0.00 0.00 61.98 59.61 2oqs s VAL 81 Cb 0.07 -0.24 0.14 0.00 -1.53 0.00 0.00 36.38 34.82 2oqs s VAL 81 CO 0.15 0.15 0.50 -0.47 -3.33 0.00 0.00 175.10 172.10 2oqs s TYR 82 N 2.23 3.34 -0.05 1.54 6.14 -1.26 -2.59 117.35 126.71 2oqs s TYR 82 Ca 0.04 -1.49 -0.25 0.00 0.64 0.00 0.00 57.07 56.02 2oqs s TYR 82 Cb -0.12 -3.74 -0.04 0.00 0.42 0.00 0.00 41.96 38.48 2oqs s TYR 82 CO -0.05 -1.01 0.75 -1.17 0.64 0.00 0.00 175.55 174.72 2oqs s LEU 83 N 1.38 4.34 -0.30 6.97 2.96 -1.10 -1.99 118.68 130.94 2oqs s LEU 83 Ca 0.05 1.29 -0.03 0.00 -0.22 0.00 0.00 54.13 55.22 2oqs s LEU 83 Cb -0.27 -3.17 0.04 0.00 0.50 0.00 0.00 46.19 43.29 2oqs s LEU 83 CO 0.01 -0.13 0.02 -0.54 -1.32 0.00 0.00 176.35 174.39 2oqs s LYS 84 N 0.77 2.54 -0.13 1.98 -0.14 0.13 -2.31 119.74 122.58 2oqs s LYS 84 Ca 0.40 -1.20 -0.03 0.00 -1.36 0.00 0.00 55.97 53.78 2oqs s LYS 84 Cb -0.18 -3.24 -0.03 0.00 -1.68 0.00 0.00 37.83 32.70 2oqs s LYS 84 CO 0.20 -0.60 -0.03 0.08 -0.76 0.00 0.00 175.35 174.24 2oqs s VAL 85 N 1.31 3.98 0.21 3.17 1.01 -1.24 0.11 120.40 128.94 2oqs s VAL 85 Ca -0.04 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 2oqs s VAL 85 Cb -0.19 -2.71 -0.07 0.00 0.00 0.00 0.00 36.38 33.40 2oqs s VAL 85 CO -0.00 0.53 0.56 0.00 0.00 0.00 0.00 175.10 176.19 2oqs s ALA 86 N -0.08 3.55 -0.22 5.51 0.00 -0.95 -3.64 121.76 125.93 2oqs s ALA 86 Ca 0.02 -0.21 -0.09 0.00 0.00 0.00 0.00 51.96 51.69 2oqs s ALA 86 Cb -0.13 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 2oqs s ALA 86 CO 0.02 0.48 0.10 0.21 0.00 0.00 0.00 175.76 176.58 2oqs s LYS 87 N -2.57 3.93 0.48 0.00 2.36 -1.26 -4.30 119.74 118.39 2oqs s LYS 87 Ca 0.45 -0.35 -0.24 0.00 -2.55 0.00 0.00 55.97 53.28 2oqs s LYS 87 Cb -0.12 -3.37 -0.07 0.00 -1.05 0.00 0.00 37.83 33.22 2oqs s LYS 87 CO 0.20 0.07 1.36 -1.25 1.55 0.00 0.00 175.35 177.29 2oqs s PRO 88 N 0.95 3.52 -0.29 4.03 0.04 -1.26 -5.02 135.00 136.97 2oqs s PRO 88 Ca 0.05 2.25 -0.02 0.00 0.04 0.00 0.00 61.00 63.32 2oqs s PRO 88 Cb -0.14 -2.49 0.19 0.00 0.04 0.00 0.00 34.50 32.11 2oqs s PRO 88 CO 0.03 -0.89 0.79 0.99 0.04 0.00 0.00 177.00 177.96 2oqs s THR 89 N -1.28 -0.67 0.18 1.26 2.01 -1.26 -5.14 115.64 110.74 2oqs s THR 89 Ca 0.65 0.00 -0.33 0.00 0.31 0.00 0.00 61.69 62.32 2oqs s THR 89 Cb -0.40 -0.68 -0.13 0.00 0.01 0.00 0.00 72.50 71.30 2oqs s THR 89 CO 0.50 0.00 1.68 0.61 -0.69 0.00 0.00 174.62 176.72 2oqs n GLY 90 N 5.29 1.39 0.10 4.40 0.00 -1.26 -4.91 105.19 110.21 2oqs n GLY 90 Ca 0.07 0.64 -0.13 0.00 0.00 0.00 0.00 46.02 46.59 2oqs n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2oqs n SER 91 N 3.88 1.30 0.00 1.61 7.64 -1.26 -5.35 113.62 121.44 2oqs n SER 91 Ca 0.17 0.32 0.00 0.00 1.01 0.00 0.00 58.87 60.36 2oqs n SER 91 Cb 0.33 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 2oqs n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03