#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 1.33 -0.05 0.03 1.03 -1.26 -1.41 118.70 118.37 2oqs s GLU 2 Ca 0.00 -1.56 -0.02 0.00 0.03 0.00 0.00 54.97 53.41 2oqs s GLU 2 Cb 0.00 -1.18 0.03 0.00 -0.80 0.00 0.00 34.13 32.18 2oqs s GLU 2 CO 0.00 0.21 0.11 0.42 -1.33 0.00 0.00 175.26 174.67 2oqs s ILE 3 N -2.79 -0.05 -0.77 1.83 1.09 -0.95 -5.01 121.20 114.56 2oqs s ILE 3 Ca 0.22 0.17 -0.13 0.00 -1.10 0.00 0.00 60.65 59.80 2oqs s ILE 3 Cb -0.02 -0.19 0.20 0.00 -1.06 0.00 0.00 42.46 41.39 2oqs s ILE 3 CO 0.07 0.07 0.69 -1.59 -0.10 0.00 0.00 174.94 174.08 2oqs s LYS 4 N 1.00 3.40 -0.15 2.79 -2.85 -1.26 -2.66 119.74 120.01 2oqs s LYS 4 Ca -0.08 -2.39 -0.15 0.00 -1.00 0.00 0.00 55.97 52.34 2oqs s LYS 4 Cb -0.10 -4.32 -0.04 0.00 -2.06 0.00 0.00 37.83 31.30 2oqs s LYS 4 CO -0.04 -1.28 0.36 -0.51 0.10 0.00 0.00 175.35 173.98 2oqs s LEU 5 N 0.28 4.24 -0.14 2.77 1.43 -1.08 -4.96 118.68 121.22 2oqs s LEU 5 Ca 0.16 0.60 -0.20 0.00 -1.03 0.00 0.00 54.13 53.66 2oqs s LEU 5 Cb -0.13 -2.49 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 2oqs s LEU 5 CO -0.07 0.05 0.58 -0.51 0.23 0.00 0.00 176.35 176.63 2oqs s ILE 6 N 0.62 5.10 0.09 -0.59 -1.16 -1.26 -0.89 121.20 123.10 2oqs s ILE 6 Ca 0.20 1.14 -0.31 0.00 -0.51 0.00 0.00 60.65 61.17 2oqs s ILE 6 Cb -0.14 -3.91 -0.11 0.00 0.61 0.00 0.00 42.46 38.91 2oqs s ILE 6 CO 0.06 0.23 1.85 1.17 -2.81 0.00 0.00 174.94 175.45 2oqs n LYS 7 N 4.20 2.72 -2.52 3.50 3.00 0.09 -4.97 118.16 124.19 2oqs n LYS 7 Ca -0.04 0.99 -0.06 0.00 -0.00 0.00 0.00 58.31 59.20 2oqs n LYS 7 Cb 0.51 -2.89 -0.01 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 4.26 4.05 0.37 3.14 0.00 -1.26 -4.94 105.19 110.81 2oqs n GLY 8 Ca 0.19 -2.19 0.01 0.00 0.00 0.00 0.00 46.02 44.04 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 1.20 0.03 1.61 0.11 -2.03 -3.25 132.00 129.67 2oqs h PRO 9 Ca -0.08 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 2oqs h PRO 9 Cb 0.25 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.09 2oqs h PRO 9 CO 0.13 0.79 -0.01 0.87 -0.21 0.00 0.00 178.00 179.57 2oqs h LYS 10 N 1.23 -0.04 0.00 1.05 1.79 -1.99 -3.51 116.57 115.10 2oqs h LYS 10 Ca 0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.89 2oqs h LYS 10 Cb 0.08 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2oqs h LYS 10 CO -0.15 -0.03 0.00 0.41 -1.08 0.00 0.00 179.45 178.60 2oqs n GLY 11 N 1.70 0.62 0.10 3.86 0.00 -1.23 -4.80 105.19 105.44 2oqs n GLY 11 Ca -0.01 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 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 0.00 -0.78 0.99 3.38 -1.93 -3.39 115.31 113.58 2oqs h LEU 12 Ca 0.00 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.35 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 1.37 0.00 0.61 0.09 0.00 0.00 178.44 180.51 2oqs n GLY 13 N 1.48 0.89 1.58 0.83 0.00 -1.26 0.46 105.19 109.16 2oqs n GLY 13 Ca -0.27 -0.65 -0.03 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.51 -1.41 -4.47 1.61 1.16 -1.26 0.41 117.46 110.99 2oqs n PHE 14 Ca 0.00 -0.72 -0.23 0.00 -1.87 0.00 0.00 57.45 54.63 2oqs n PHE 14 Cb 0.46 0.36 -0.09 0.00 -1.61 0.00 0.00 39.48 38.59 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 -1.90 2.47 0.27 5.98 1.04 0.14 -4.88 113.70 116.82 2oqs s SER 15 Ca 0.07 -1.51 -0.17 0.00 0.48 0.00 0.00 55.95 54.83 2oqs s SER 15 Cb -0.02 0.20 0.01 0.00 0.10 0.00 0.00 66.02 66.31 2oqs s SER 15 CO 0.04 -0.76 0.60 0.27 0.98 0.00 0.00 173.24 174.38 2oqs s ILE 16 N -3.30 0.00 0.17 -1.02 -0.00 -1.26 -2.41 121.20 113.39 2oqs s ILE 16 Ca 0.31 -1.20 0.01 0.00 -0.00 0.00 0.00 60.65 59.77 2oqs s ILE 16 Cb 0.06 -2.12 -0.05 0.00 -0.00 0.00 0.00 42.46 40.35 2oqs s ILE 16 CO 0.15 0.00 0.02 0.00 -0.00 0.00 0.00 174.94 175.10 2oqs s ALA 17 N -3.93 1.29 0.00 2.27 0.00 0.16 -4.72 121.76 116.83 2oqs s ALA 17 Ca 0.17 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.54 2oqs s ALA 17 Cb -0.03 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.72 2oqs s ALA 17 CO 0.08 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.89 2oqs n GLY 18 N -0.23 2.79 0.00 0.00 0.00 -1.10 -1.77 105.19 104.88 2oqs n GLY 18 Ca -0.06 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.22 2.46 3.77 -0.02 0.00 -0.88 0.50 105.19 110.81 2oqs n GLY 19 Ca 0.00 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 2oqs n GLY 19 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2oqs s VAL 20 N -3.00 2.49 0.00 1.61 -7.23 -1.26 0.36 120.40 113.37 2oqs s VAL 20 Ca 0.00 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 60.65 2oqs s VAL 20 Cb 0.00 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.63 2oqs s VAL 20 CO 0.00 0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.51 2oqs n GLY 21 N 0.81 3.02 0.36 2.32 0.00 -1.26 -4.64 105.19 105.81 2oqs n GLY 21 Ca 0.01 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 0.49 -4.68 1.61 0.23 -0.95 -5.11 115.26 106.85 2oqs n ASN 22 Ca 0.00 -2.12 -0.40 0.00 -0.53 0.00 0.00 54.58 51.53 2oqs n ASN 22 Cb 0.00 -0.22 0.02 0.00 -2.08 0.00 0.00 39.78 37.50 2oqs n ASN 22 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2oqs n GLN 23 N -0.28 1.63 -0.01 -3.83 6.02 0.16 -2.71 117.38 118.35 2oqs n GLN 23 Ca 0.03 0.59 -0.06 0.00 -0.01 0.00 0.00 57.00 57.55 2oqs n GLN 23 Cb 0.66 -2.33 -0.13 0.00 1.02 0.00 0.00 30.24 29.47 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 -0.65 0.92 -4.02 1.08 -0.00 -1.26 -4.82 115.22 106.47 2oqs n HIS 24 Ca 0.09 0.32 -0.15 0.00 -0.00 0.00 0.00 57.72 57.98 2oqs n HIS 24 Cb 0.42 -1.14 -0.15 0.00 -0.00 0.00 0.00 29.99 29.12 2oqs n HIS 24 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.34 174.84 2oqs s ILE 25 N -2.69 0.24 0.03 3.57 2.07 -1.26 -5.07 121.20 118.09 2oqs s ILE 25 Ca -0.05 -0.07 -0.30 0.00 -1.41 0.00 0.00 60.65 58.82 2oqs s ILE 25 Cb 0.08 -0.25 -0.08 0.00 0.13 0.00 0.00 42.46 42.34 2oqs s ILE 25 CO 0.82 0.10 1.90 -2.16 -1.91 0.00 0.00 174.94 173.69 2oqs s PRO 26 N 0.28 4.15 0.00 3.50 0.04 -1.26 -2.70 135.00 139.01 2oqs s PRO 26 Ca -0.03 2.54 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2oqs s PRO 26 Cb -0.05 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2oqs s PRO 26 CO -0.01 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.52 2oqs n GLY 27 N 4.43 3.02 3.47 0.56 0.00 -1.26 -5.00 105.19 110.42 2oqs n GLY 27 Ca 0.19 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 6.15 -0.05 1.61 1.01 -1.10 -4.94 116.67 119.36 2oqs s ASP 28 Ca 0.00 -0.78 0.03 0.00 0.71 0.00 0.00 52.55 52.51 2oqs s ASP 28 Cb 0.00 -2.19 0.17 0.00 1.01 0.00 0.00 42.92 41.91 2oqs s ASP 28 CO 0.00 -0.50 0.76 0.59 0.21 0.00 0.00 175.17 176.23 2oqs n ASN 29 N 5.35 1.95 -3.49 0.27 4.13 -1.26 -4.07 115.26 118.14 2oqs n ASN 29 Ca -0.09 -2.19 -0.29 0.00 1.68 0.00 0.00 54.58 53.69 2oqs n ASN 29 Cb 0.47 -0.53 0.24 0.00 -1.54 0.00 0.00 39.78 38.42 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 0.12 -2.11 -4.42 6.41 7.64 -1.26 -2.07 113.62 117.93 2oqs n SER 30 Ca 0.06 -1.13 -0.43 0.00 1.01 0.00 0.00 58.87 58.38 2oqs n SER 30 Cb 0.44 -0.96 -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 -2.86 5.08 0.04 0.44 -1.09 -0.63 -4.07 121.20 118.10 2oqs s ILE 31 Ca 0.67 -0.81 0.03 0.00 -2.23 0.00 0.00 60.65 58.31 2oqs s ILE 31 Cb -0.07 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 2oqs s ILE 31 CO 0.52 -0.36 0.01 -0.31 -1.23 0.00 0.00 174.94 173.57 2oqs s TYR 32 N 1.64 3.06 0.05 3.97 1.51 -0.73 0.10 117.35 126.95 2oqs s TYR 32 Ca 0.04 0.05 -0.30 0.00 -1.01 0.00 0.00 57.07 55.84 2oqs s TYR 32 Cb -0.20 -1.62 -0.05 0.00 -0.11 0.00 0.00 41.96 39.98 2oqs s TYR 32 CO 0.08 0.47 1.07 0.08 -1.11 0.00 0.00 175.55 176.15 2oqs s VAL 33 N -1.19 4.45 -0.20 0.71 1.01 -1.21 0.36 120.40 124.34 2oqs s VAL 33 Ca 0.23 1.80 0.15 0.00 0.00 0.00 0.00 61.98 64.16 2oqs s VAL 33 Cb -0.12 -4.15 -0.23 0.00 0.00 0.00 0.00 36.38 31.88 2oqs s VAL 33 CO 0.14 0.16 0.04 0.35 0.00 0.00 0.00 175.10 175.79 2oqs n THR 34 N 3.71 1.32 -3.65 3.92 -2.24 -1.01 -4.06 114.28 112.27 2oqs n THR 34 Ca 0.07 -0.78 -0.03 0.00 -2.27 0.00 0.00 64.05 61.03 2oqs n THR 34 Cb 0.49 -0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 68.08 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 -2.47 0.58 -0.27 -0.78 1.02 -1.26 -4.97 119.74 111.60 2oqs s LYS 35 Ca -0.12 1.37 -0.12 0.00 0.02 0.00 0.00 55.97 57.11 2oqs s LYS 35 Cb 0.06 0.67 -0.05 0.00 -0.52 0.00 0.00 37.83 38.00 2oqs s LYS 35 CO 0.76 -0.19 0.25 0.42 -0.92 0.00 0.00 175.35 175.67 2oqs s ILE 36 N 2.60 5.27 0.37 2.17 1.01 -1.26 0.29 121.20 131.64 2oqs s ILE 36 Ca -0.07 0.31 -0.25 0.00 0.00 0.00 0.00 60.65 60.65 2oqs s ILE 36 Cb -0.11 -3.59 -0.09 0.00 0.01 0.00 0.00 42.46 38.69 2oqs s ILE 36 CO -0.19 0.23 1.08 -0.63 0.00 0.00 0.00 174.94 175.43 2oqs s ILE 37 N 1.79 3.56 0.58 2.92 1.09 0.17 -4.95 121.20 126.36 2oqs s ILE 37 Ca 0.10 1.29 -0.21 0.00 -1.10 0.00 0.00 60.65 60.74 2oqs s ILE 37 Cb -0.16 -3.72 -0.04 0.00 -1.06 0.00 0.00 42.46 37.49 2oqs s ILE 37 CO 0.10 0.10 1.32 -0.62 -0.10 0.00 0.00 174.94 175.75 2oqs n GLU 38 N 0.23 1.50 -1.56 2.79 1.02 -1.26 -2.30 120.64 121.06 2oqs n GLU 38 Ca 0.04 0.56 -0.19 0.00 -0.02 0.00 0.00 57.16 57.55 2oqs n GLU 38 Cb 0.48 -2.54 -0.08 0.00 -0.02 0.00 0.00 31.44 29.28 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 0.83 1.78 3.96 0.62 0.00 -1.26 -4.97 105.19 106.15 2oqs n GLY 39 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 1.77 0.17 -0.02 0.00 -0.97 -4.78 107.32 100.88 2oqs s GLY 40 Ca 0.00 -1.23 -0.23 0.00 0.00 0.00 0.00 44.72 43.26 2oqs s GLY 40 CO 0.00 -0.86 1.60 0.00 0.00 0.00 0.00 173.10 173.84 2oqs h ALA 41 N -0.28 -0.17 0.06 3.20 0.00 -0.19 0.39 119.26 122.27 2oqs h ALA 41 Ca -0.42 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2oqs h ALA 41 Cb 1.30 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2oqs h ALA 41 CO 0.53 -0.72 -0.03 0.00 0.00 0.00 0.00 179.25 179.03 2oqs h ALA 42 N 0.78 -0.08 -0.62 0.00 0.00 -1.85 -1.09 119.26 116.40 2oqs h ALA 42 Ca 0.18 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 54.99 2oqs h ALA 42 Cb 0.54 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 2oqs h ALA 42 CO -0.55 -0.32 0.10 1.25 0.00 0.00 0.00 179.25 179.73 2oqs h HIS 43 N -0.53 0.15 -0.18 0.00 6.17 -1.72 0.20 115.15 119.24 2oqs h HIS 43 Ca -0.01 0.04 -0.19 0.00 0.71 0.00 0.00 60.37 60.92 2oqs h HIS 43 Cb 0.46 0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.42 2oqs h HIS 43 CO 0.07 -0.07 -0.65 0.87 0.71 0.00 0.00 177.93 178.86 2oqs h LYS 44 N 0.23 0.69 0.50 5.26 1.79 -0.28 -3.31 116.57 121.45 2oqs h LYS 44 Ca 0.33 -0.50 -0.02 0.00 -2.18 0.00 0.00 60.65 58.27 2oqs h LYS 44 Cb 0.51 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2oqs h LYS 44 CO -0.44 1.12 -0.24 0.22 -1.08 0.00 0.00 179.45 179.03 2oqs h ASP 45 N 0.50 -0.57 0.00 0.86 1.82 -0.30 -3.48 116.42 115.26 2oqs h ASP 45 Ca -0.02 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.57 2oqs h ASP 45 Cb 1.25 0.15 0.00 0.00 0.68 0.00 0.00 39.33 41.41 2oqs h ASP 45 CO 0.13 -0.27 0.00 0.61 -1.61 0.00 0.00 179.24 178.10 2oqs n GLY 46 N -0.84 2.96 0.15 -0.78 0.00 0.63 -4.91 105.19 102.40 2oqs n GLY 46 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 2oqs n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2oqs h LYS 47 N 0.40 0.43 -5.84 1.61 3.64 -1.92 -3.40 116.57 111.48 2oqs h LYS 47 Ca 0.00 -0.03 -0.59 0.00 -1.27 0.00 0.00 60.65 58.77 2oqs h LYS 47 Cb 0.00 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 31.64 2oqs h LYS 47 CO 0.00 0.28 0.42 -1.17 -2.27 0.00 0.00 179.45 176.71 2oqs s LEU 48 N -10.17 4.12 0.03 5.20 0.20 -1.26 -5.04 118.68 111.76 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 0.10 -3.18 -0.02 0.00 -0.43 0.00 0.00 46.19 42.66 2oqs s LEU 48 CO 0.71 -0.46 -0.09 0.00 -0.29 0.00 0.00 176.35 176.23 2oqs s GLN 49 N 2.52 0.61 0.17 1.98 0.00 -1.26 -4.65 119.66 119.02 2oqs s GLN 49 Ca 0.36 -0.63 -0.31 0.00 -0.00 0.00 0.00 55.36 54.78 2oqs s GLN 49 Cb -0.16 -0.49 -0.17 0.00 0.00 0.00 0.00 33.01 32.19 2oqs s GLN 49 CO 0.09 0.11 0.74 0.44 0.00 0.00 0.00 175.29 176.68 2oqs n ILE 50 N 1.91 1.50 0.00 3.63 -6.64 -1.26 -2.42 119.36 116.07 2oqs n ILE 50 Ca -0.19 -0.37 0.00 0.00 -1.77 0.00 0.00 62.75 60.41 2oqs n ILE 50 Cb 0.55 -0.19 0.00 0.00 -1.44 0.00 0.00 39.64 38.56 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 1.82 2.95 3.81 3.28 0.00 -1.26 -5.06 105.19 110.74 2oqs n GLY 51 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.11 6.17 0.08 1.61 1.47 -1.02 -4.94 116.67 118.93 2oqs s ASP 52 Ca 0.00 1.81 0.06 0.00 1.18 0.00 0.00 52.55 55.60 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 -0.90 -0.10 -1.59 0.68 0.00 0.00 175.17 173.26 2oqs s LYS 53 N -3.75 2.24 -0.53 2.11 0.00 -1.26 -3.30 119.74 115.25 2oqs s LYS 53 Ca 0.64 -0.95 -0.19 0.00 0.00 0.00 0.00 55.97 55.47 2oqs s LYS 53 Cb -0.15 -2.35 0.07 0.00 0.00 0.00 0.00 37.83 35.40 2oqs s LYS 53 CO 0.29 0.53 0.65 -0.51 0.00 0.00 0.00 175.35 176.32 2oqs s LEU 54 N -1.97 5.06 0.04 2.77 1.43 0.29 -1.83 118.68 124.46 2oqs s LEU 54 Ca 0.20 -1.04 -0.25 0.00 -1.03 0.00 0.00 54.13 52.01 2oqs s LEU 54 Cb -0.11 -2.41 -0.17 0.00 0.03 0.00 0.00 46.19 43.53 2oqs s LEU 54 CO 0.12 -0.96 1.48 0.25 0.23 0.00 0.00 176.35 177.47 2oqs h LEU 55 N 9.81 -0.19 -7.25 1.79 6.46 0.69 -3.32 115.31 123.29 2oqs h LEU 55 Ca -0.28 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.28 2oqs h LEU 55 Cb 1.09 0.05 -0.13 0.00 -0.73 0.00 0.00 40.66 40.94 2oqs h LEU 55 CO 1.00 0.05 0.03 0.00 -0.62 0.00 0.00 178.44 178.90 2oqs s ALA 56 N -5.35 -1.17 -0.16 1.25 0.00 0.50 -0.30 121.76 116.52 2oqs s ALA 56 Ca -0.15 0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.94 2oqs s ALA 56 Cb 0.04 0.74 0.07 0.00 0.00 0.00 0.00 23.12 23.96 2oqs s ALA 56 CO 0.63 -0.68 0.14 0.08 0.00 0.00 0.00 175.76 175.93 2oqs s VAL 57 N -3.70 -0.19 -0.97 0.00 1.01 0.35 0.18 120.40 117.07 2oqs s VAL 57 Ca 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 2oqs s VAL 57 Cb 0.01 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.84 2oqs s VAL 57 CO -0.12 -0.18 0.82 0.59 0.00 0.00 0.00 175.10 176.22 2oqs n ASN 58 N 5.30 -2.86 0.00 3.32 4.13 -1.09 -2.66 115.26 121.40 2oqs n ASN 58 Ca -0.06 -0.47 0.00 0.00 1.68 0.00 0.00 54.58 55.73 2oqs n ASN 58 Cb 0.49 -4.13 0.00 0.00 -1.54 0.00 0.00 39.78 34.61 2oqs n ASN 58 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2oqs n ASN 59 N -2.53 0.00 -4.87 6.41 4.13 -1.26 -5.01 115.26 112.14 2oqs n ASN 59 Ca -0.17 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.74 2oqs n ASN 59 Cb 0.61 -0.05 -0.05 0.00 -1.54 0.00 0.00 39.78 38.75 2oqs n ASN 59 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2oqs s VAL 60 N -2.14 5.15 0.07 2.41 -7.23 -1.09 -5.07 120.40 112.51 2oqs s VAL 60 Ca 0.00 0.41 -0.28 0.00 -1.81 0.00 0.00 61.98 60.29 2oqs s VAL 60 Cb 0.00 -3.63 -0.05 0.00 0.56 0.00 0.00 36.38 33.26 2oqs s VAL 60 CO 0.00 0.34 0.90 0.00 -0.31 0.00 0.00 175.10 176.03 2oqs n LEU 62 N 2.99 5.96 -0.01 0.00 7.94 0.59 -4.35 117.00 130.14 2oqs n LEU 62 Ca 0.01 -3.55 0.02 0.00 -1.11 0.00 0.00 56.01 51.38 2oqs n LEU 62 Cb 0.50 -0.77 -0.04 0.00 0.53 0.00 0.00 43.42 43.64 2oqs n LEU 62 CO 0.50 1.04 -0.57 -0.62 -1.11 0.00 0.00 177.39 176.62 2oqs n GLU 63 N -0.92 0.59 -2.21 1.96 1.02 -1.25 -1.60 120.64 118.22 2oqs n GLU 63 Ca 0.49 -0.04 -0.24 0.00 -0.02 0.00 0.00 57.16 57.35 2oqs n GLU 63 Cb 1.46 -1.12 0.01 0.00 -0.02 0.00 0.00 31.44 31.77 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 -1.74 3.46 -4.06 3.49 1.02 -1.26 -4.05 120.64 117.50 2oqs n GLU 64 Ca -0.02 -4.26 -0.08 0.00 -0.02 0.00 0.00 57.16 52.79 2oqs n GLU 64 Cb 0.20 -2.24 -0.10 0.00 -0.02 0.00 0.00 31.44 29.29 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2oqs s VAL 65 N -4.88 0.19 1.16 2.62 -7.23 -1.26 -5.11 120.40 105.89 2oqs s VAL 65 Ca 0.49 -1.58 -0.18 0.00 -1.81 0.00 0.00 61.98 58.91 2oqs s VAL 65 Cb 0.40 -1.21 0.27 0.00 0.56 0.00 0.00 36.38 36.40 2oqs s VAL 65 CO -0.04 -0.87 1.11 0.42 -0.31 0.00 0.00 175.10 175.40 2oqs s THR 66 N -3.33 1.69 0.23 5.32 -4.23 -1.26 -3.39 115.64 110.68 2oqs s THR 66 Ca 0.01 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.45 2oqs s THR 66 Cb 0.04 -2.49 0.22 0.00 1.34 0.00 0.00 72.50 71.61 2oqs s THR 66 CO -0.08 0.00 1.90 -0.74 -0.54 0.00 0.00 174.62 175.16 2oqs h HIS 67 N -2.44 1.16 -0.56 3.99 2.76 -0.26 -2.59 115.15 117.21 2oqs h HIS 67 Ca -0.47 0.02 0.11 0.00 -2.20 0.00 0.00 60.37 57.83 2oqs h HIS 67 Cb 1.30 -0.39 -0.10 0.00 1.55 0.00 0.00 27.41 29.77 2oqs h HIS 67 CO -1.58 0.74 -0.07 0.93 -1.30 0.00 0.00 177.93 176.65 2oqs h GLU 68 N 1.23 0.05 -0.48 5.26 4.39 -1.92 0.14 114.58 123.25 2oqs h GLU 68 Ca 0.33 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.01 2oqs h GLU 68 Cb -0.12 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 2oqs h GLU 68 CO -0.07 0.03 0.23 0.93 -1.16 0.00 0.00 179.01 178.98 2oqs h GLU 69 N 0.05 0.67 -0.67 2.33 3.07 -1.82 0.44 114.58 118.66 2oqs h GLU 69 Ca 0.28 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 59.06 2oqs h GLU 69 Cb 0.44 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 2oqs h GLU 69 CO -0.53 0.52 0.38 0.00 -1.40 0.00 0.00 179.01 177.98 2oqs h ALA 70 N 1.59 0.85 0.21 3.43 0.00 -0.48 -0.01 119.26 124.85 2oqs h ALA 70 Ca 0.17 -0.10 -0.32 0.00 0.00 0.00 0.00 54.91 54.66 2oqs h ALA 70 Cb 0.07 -0.27 0.03 0.00 0.00 0.00 0.00 17.79 17.62 2oqs h ALA 70 CO -0.02 0.35 -1.42 0.28 0.00 0.00 0.00 179.25 178.43 2oqs h VAL 71 N 0.91 1.33 -0.40 0.00 2.07 -0.78 -2.84 116.25 116.53 2oqs h VAL 71 Ca 0.24 -2.81 -0.03 0.00 0.82 0.00 0.00 66.70 64.92 2oqs h VAL 71 Cb 0.02 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 2oqs h VAL 71 CO -0.04 0.84 0.12 0.74 0.02 0.00 0.00 177.57 179.24 2oqs h THR 72 N 0.12 1.17 0.12 2.57 2.02 0.00 0.33 112.91 119.26 2oqs h THR 72 Ca -0.22 -0.60 -0.27 0.00 0.77 0.00 0.00 66.41 66.08 2oqs h THR 72 Cb 2.11 0.75 0.01 0.00 -1.74 0.00 0.00 68.15 69.27 2oqs h THR 72 CO 0.25 0.22 -1.22 0.00 0.37 0.00 0.00 175.52 175.14 2oqs h ALA 73 N 1.56 0.10 -0.10 6.16 0.00 -1.08 -0.88 119.26 125.02 2oqs h ALA 73 Ca 0.14 -0.85 -0.18 0.00 0.00 0.00 0.00 54.91 54.01 2oqs h ALA 73 Cb 0.19 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2oqs h ALA 73 CO -0.01 0.91 -0.69 -0.07 0.00 0.00 0.00 179.25 179.39 2oqs h LEU 74 N 0.11 0.53 0.00 0.00 -0.00 -1.23 -3.18 115.31 111.54 2oqs h LEU 74 Ca -0.14 -0.33 -0.11 0.00 -0.00 0.00 0.00 57.88 57.30 2oqs h LEU 74 Cb 1.93 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 42.42 2oqs h LEU 74 CO 0.21 1.06 -0.58 0.07 -0.00 0.00 0.00 178.44 179.20 2oqs h LYS 75 N 0.32 0.00 -4.04 1.13 2.10 -0.40 -3.39 116.57 112.29 2oqs h LYS 75 Ca -0.02 0.00 -0.65 0.00 -2.00 0.00 0.00 60.65 57.98 2oqs h LYS 75 Cb 1.26 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.60 2oqs h LYS 75 CO 0.12 0.46 2.82 -1.71 -2.00 0.00 0.00 179.45 179.14 2oqs n ASN 76 N -3.18 3.89 -4.05 7.07 5.15 -0.34 -4.85 115.26 118.94 2oqs n ASN 76 Ca 0.01 -2.70 -0.32 0.00 -0.60 0.00 0.00 54.58 50.98 2oqs n ASN 76 Cb 0.74 -1.37 -0.16 0.00 -0.53 0.00 0.00 39.78 38.45 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 3.84 1.90 0.00 -0.44 -4.23 -1.26 -4.97 115.64 110.48 2oqs s THR 77 Ca 0.52 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 2oqs s THR 77 Cb 0.14 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 72.09 2oqs s THR 77 CO 0.00 0.25 0.00 -0.24 -0.54 0.00 0.00 174.62 174.09 2oqs n SER 78 N 4.60 0.00 -0.12 3.99 2.88 -1.26 -4.91 113.62 118.81 2oqs n SER 78 Ca -0.17 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.15 2oqs n SER 78 Cb 0.47 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.81 2oqs n SER 78 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2oqs n ASP 79 N -0.24 1.98 -4.33 -3.46 5.75 -1.26 -4.75 116.55 110.25 2oqs n ASP 79 Ca 0.00 0.09 -0.21 0.00 -0.01 0.00 0.00 54.79 54.67 2oqs n ASP 79 Cb 0.00 -0.63 -0.10 0.00 -1.03 0.00 0.00 41.12 39.36 2oqs n ASP 79 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 2oqs s PHE 80 N -2.51 1.80 -0.06 2.11 0.40 -1.26 -0.73 117.98 117.73 2oqs s PHE 80 Ca -0.34 -1.10 -0.03 0.00 -0.60 0.00 0.00 56.93 54.86 2oqs s PHE 80 Cb 0.10 -1.14 0.04 0.00 0.51 0.00 0.00 43.02 42.54 2oqs s PHE 80 CO 0.58 -0.17 0.11 0.54 0.70 0.00 0.00 175.22 176.99 2oqs s VAL 81 N -3.42 -0.19 -0.59 -0.44 0.11 -0.07 -4.80 120.40 111.00 2oqs s VAL 81 Ca 0.35 0.39 -0.17 0.00 -2.93 0.00 0.00 61.98 59.62 2oqs s VAL 81 Cb 0.07 -0.23 0.13 0.00 -1.53 0.00 0.00 36.38 34.82 2oqs s VAL 81 CO 0.15 0.16 0.61 -0.47 -3.33 0.00 0.00 175.10 172.22 2oqs s TYR 82 N 2.23 3.19 -0.15 1.54 6.14 -1.26 -2.63 117.35 126.41 2oqs s TYR 82 Ca 0.04 -1.22 -0.22 0.00 0.64 0.00 0.00 57.07 56.31 2oqs s TYR 82 Cb -0.12 -3.89 -0.03 0.00 0.42 0.00 0.00 41.96 38.34 2oqs s TYR 82 CO -0.04 -1.13 0.67 -1.17 0.64 0.00 0.00 175.55 174.51 2oqs s LEU 83 N 1.92 4.21 -0.33 6.97 2.96 -1.09 -2.68 118.68 130.65 2oqs s LEU 83 Ca 0.08 0.98 -0.05 0.00 -0.22 0.00 0.00 54.13 54.92 2oqs s LEU 83 Cb -0.26 -2.98 0.04 0.00 0.50 0.00 0.00 46.19 43.49 2oqs s LEU 83 CO 0.03 -0.22 0.08 -0.54 -1.32 0.00 0.00 176.35 174.37 2oqs s LYS 84 N 1.53 2.60 -0.13 1.98 -0.14 0.13 -2.25 119.74 123.46 2oqs s LYS 84 Ca 0.32 -1.18 -0.01 0.00 -1.36 0.00 0.00 55.97 53.74 2oqs s LYS 84 Cb -0.16 -3.38 -0.02 0.00 -1.68 0.00 0.00 37.83 32.58 2oqs s LYS 84 CO 0.13 -0.64 -0.07 0.08 -0.76 0.00 0.00 175.35 174.08 2oqs s VAL 85 N 1.37 3.58 0.16 3.17 1.01 -0.50 0.12 120.40 129.32 2oqs s VAL 85 Ca -0.02 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2oqs s VAL 85 Cb -0.19 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2oqs s VAL 85 CO 0.02 0.53 0.32 0.00 0.00 0.00 0.00 175.10 175.97 2oqs s ALA 86 N 0.07 3.92 -0.19 5.51 0.00 -0.76 -4.05 121.76 126.27 2oqs s ALA 86 Ca -0.02 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 50.90 2oqs s ALA 86 Cb -0.14 -1.87 -0.05 0.00 0.00 0.00 0.00 23.12 21.07 2oqs s ALA 86 CO 0.03 0.52 0.13 -1.59 0.00 0.00 0.00 175.76 174.85 2oqs s LYS 87 N -3.22 4.07 0.66 0.00 0.00 -1.26 -4.00 119.74 115.98 2oqs s LYS 87 Ca 0.36 -0.21 -0.17 0.00 0.00 0.00 0.00 55.97 55.95 2oqs s LYS 87 Cb -0.11 -3.38 -0.03 0.00 0.00 0.00 0.00 37.83 34.31 2oqs s LYS 87 CO 0.29 0.38 0.92 -2.30 0.00 0.00 0.00 175.35 174.63 2oqs n PRO 88 N 3.27 0.68 -3.98 1.78 -0.02 -1.26 -5.04 135.00 130.44 2oqs n PRO 88 Ca -0.17 0.28 -0.09 0.00 -2.02 0.00 0.00 63.50 61.50 2oqs n PRO 88 Cb 0.52 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.80 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 -1.66 0.02 -0.25 3.45 -4.23 -1.26 -5.06 115.64 106.65 2oqs s THR 89 Ca 0.74 -1.38 -0.01 0.00 -1.18 0.00 0.00 61.69 59.87 2oqs s THR 89 Cb -0.38 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.38 2oqs s THR 89 CO 0.49 -0.08 0.02 0.61 -0.54 0.00 0.00 174.62 175.12 2oqs n GLY 90 N -0.33 -3.66 0.18 3.99 0.00 -1.26 -4.95 105.19 99.16 2oqs n GLY 90 Ca -0.03 0.47 -0.19 0.00 0.00 0.00 0.00 46.02 46.26 2oqs n GLY 90 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2oqs h SER 91 N 3.24 0.81 0.00 1.61 0.87 -2.06 -3.55 113.55 114.47 2oqs h SER 91 Ca -0.04 -0.74 0.00 0.00 -1.23 0.00 0.00 61.79 59.78 2oqs h SER 91 Cb 0.24 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2oqs h SER 91 CO 0.08 1.45 0.00 1.57 -0.53 0.00 0.00 176.83 179.39