#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 4.40 -0.30 3.17 8.01 -1.26 -1.10 118.70 131.62 2oqs s GLU 2 Ca 0.00 1.42 -0.02 0.00 0.01 0.00 0.00 54.97 56.39 2oqs s GLU 2 Cb 0.00 -2.69 0.12 0.00 -4.31 0.00 0.00 34.13 27.26 2oqs s GLU 2 CO 0.00 0.09 0.23 0.42 0.01 0.00 0.00 175.26 176.01 2oqs s ILE 3 N -1.64 -0.25 0.13 -1.63 1.01 0.17 -4.93 121.20 114.07 2oqs s ILE 3 Ca 0.54 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 60.46 2oqs s ILE 3 Cb -0.20 -0.98 -0.06 0.00 0.01 0.00 0.00 42.46 41.23 2oqs s ILE 3 CO 0.26 -0.60 0.39 -0.54 0.00 0.00 0.00 174.94 174.45 2oqs s LYS 4 N 2.17 3.65 0.23 2.79 3.01 -1.26 -2.51 119.74 127.83 2oqs s LYS 4 Ca 0.10 -0.02 -0.09 0.00 -1.01 0.00 0.00 55.97 54.95 2oqs s LYS 4 Cb -0.15 -2.87 -0.01 0.00 -1.01 0.00 0.00 37.83 33.78 2oqs s LYS 4 CO -0.32 0.48 0.38 -0.51 0.51 0.00 0.00 175.35 175.89 2oqs s LEU 5 N -2.50 0.57 -0.23 3.17 1.43 -1.05 -5.00 118.68 115.08 2oqs s LEU 5 Ca 0.39 -1.07 -0.13 0.00 -1.03 0.00 0.00 54.13 52.29 2oqs s LEU 5 Cb -0.12 1.36 -0.04 0.00 0.03 0.00 0.00 46.19 47.41 2oqs s LEU 5 CO 0.23 -1.05 0.28 -0.51 0.23 0.00 0.00 176.35 175.52 2oqs s ILE 6 N -4.05 5.27 0.11 -0.59 2.07 -1.26 -2.74 121.20 120.01 2oqs s ILE 6 Ca 0.27 0.43 -0.34 0.00 -1.41 0.00 0.00 60.65 59.60 2oqs s ILE 6 Cb 0.02 -3.61 -0.13 0.00 0.13 0.00 0.00 42.46 38.86 2oqs s ILE 6 CO 0.10 0.28 1.65 1.17 -1.91 0.00 0.00 174.94 176.23 2oqs n LYS 7 N 4.52 2.18 0.00 3.50 3.00 -0.19 -5.00 118.16 126.18 2oqs n LYS 7 Ca -0.12 0.79 0.00 0.00 -0.00 0.00 0.00 58.31 58.98 2oqs n LYS 7 Cb 0.51 -2.58 0.00 0.00 0.00 0.00 0.00 35.03 32.97 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 3.64 1.77 0.00 3.14 0.00 -1.26 -5.00 105.19 107.47 2oqs n GLY 8 Ca 0.18 -1.84 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 0.39 1.61 -0.02 -1.26 -4.52 135.00 131.20 2oqs n PRO 9 Ca 0.00 0.07 -0.16 0.00 -2.02 0.00 0.00 63.50 61.39 2oqs n PRO 9 Cb 0.00 -0.85 -0.08 0.00 -0.02 0.00 0.00 33.50 32.56 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 -0.97 0.00 -0.52 6.56 -1.98 -3.50 116.57 116.16 2oqs h LYS 10 Ca 0.00 0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.66 2oqs h LYS 10 Cb 0.00 0.22 0.00 0.00 -0.57 0.00 0.00 32.23 31.88 2oqs h LYS 10 CO 0.00 -0.64 0.00 0.41 -2.06 0.00 0.00 179.45 177.16 2oqs n GLY 11 N -0.81 0.60 0.27 3.86 0.00 -1.26 -4.93 105.19 102.93 2oqs n GLY 11 Ca -0.13 -1.45 -0.07 0.00 0.00 0.00 0.00 46.02 44.37 2oqs n GLY 11 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oqs n LEU 12 N 0.00 -0.69 -1.55 0.99 4.32 -1.26 -2.85 117.00 115.96 2oqs n LEU 12 Ca 0.00 1.35 -0.05 0.00 -0.02 0.00 0.00 56.01 57.29 2oqs n LEU 12 Cb 0.00 -0.25 0.02 0.00 -1.62 0.00 0.00 43.42 41.58 2oqs n LEU 12 CO 0.00 -1.04 0.05 0.61 -1.22 0.00 0.00 177.39 175.79 2oqs n GLY 13 N -1.16 0.34 1.41 -0.72 0.00 -1.26 0.56 105.19 104.36 2oqs n GLY 13 Ca 0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.38 -1.21 -4.49 1.61 1.16 -1.26 0.06 117.46 110.94 2oqs n PHE 14 Ca -0.05 -0.59 -0.24 0.00 -1.87 0.00 0.00 57.45 54.71 2oqs n PHE 14 Cb 0.54 0.29 -0.09 0.00 -1.61 0.00 0.00 39.48 38.60 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 -1.83 2.62 0.32 5.98 1.04 0.14 -4.88 113.70 117.09 2oqs s SER 15 Ca 0.07 -1.51 -0.18 0.00 0.48 0.00 0.00 55.95 54.81 2oqs s SER 15 Cb -0.01 0.18 0.03 0.00 0.10 0.00 0.00 66.02 66.32 2oqs s SER 15 CO 0.03 -0.75 0.73 0.27 0.98 0.00 0.00 173.24 174.51 2oqs s ILE 16 N -3.25 0.00 0.21 -1.02 -0.00 -1.26 -2.97 121.20 112.91 2oqs s ILE 16 Ca 0.30 -1.03 0.00 0.00 -0.00 0.00 0.00 60.65 59.92 2oqs s ILE 16 Cb 0.06 -2.38 -0.04 0.00 -0.00 0.00 0.00 42.46 40.09 2oqs s ILE 16 CO 0.14 0.00 0.09 0.00 -0.00 0.00 0.00 174.94 175.17 2oqs s ALA 17 N -3.25 1.34 0.00 2.27 0.00 0.12 -4.76 121.76 117.49 2oqs s ALA 17 Ca 0.14 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.39 2oqs s ALA 17 Cb -0.05 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.13 2oqs s ALA 17 CO 0.09 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2oqs n GLY 18 N -0.31 2.08 0.00 0.00 0.00 -1.25 -1.82 105.19 103.89 2oqs n GLY 18 Ca -0.01 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 2.52 3.76 -0.02 0.00 -0.72 -0.06 105.19 110.66 2oqs n GLY 19 Ca 0.00 -1.94 -0.38 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 -2.92 2.54 0.00 1.61 0.11 -1.26 -0.41 120.40 120.07 2oqs s VAL 20 Ca 0.00 0.42 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 2oqs s VAL 20 Cb 0.00 -3.23 0.00 0.00 -1.53 0.00 0.00 36.38 31.62 2oqs s VAL 20 CO 0.00 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.40 2oqs n GLY 21 N 0.61 3.09 0.13 6.54 0.00 -1.26 -4.61 105.19 109.69 2oqs n GLY 21 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 0.07 0.64 -4.49 1.61 0.23 -1.05 -5.11 115.26 107.16 2oqs n ASN 22 Ca 0.00 -1.67 -0.48 0.00 -0.53 0.00 0.00 54.58 51.90 2oqs n ASN 22 Cb 0.00 -0.10 -0.03 0.00 -2.08 0.00 0.00 39.78 37.57 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 -0.25 0.59 0.05 -3.83 6.02 0.45 -3.93 117.38 116.47 2oqs n GLN 23 Ca 0.02 0.21 0.02 0.00 -0.01 0.00 0.00 57.00 57.23 2oqs n GLN 23 Cb 0.52 -1.44 -0.07 0.00 1.02 0.00 0.00 30.24 30.28 2oqs n GLN 23 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2oqs h HIS 24 N 1.83 0.00 -2.87 1.08 -0.00 -1.82 -3.47 115.15 109.90 2oqs h HIS 24 Ca -0.36 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 59.84 2oqs h HIS 24 Cb 1.39 0.00 -0.30 0.00 -0.00 0.00 0.00 27.41 28.51 2oqs h HIS 24 CO 0.47 0.49 -0.45 -1.50 -0.00 0.00 0.00 177.93 176.94 2oqs s ILE 25 N -2.99 -0.16 0.01 6.26 2.07 -1.26 -5.07 121.20 120.06 2oqs s ILE 25 Ca -0.02 0.17 -0.35 0.00 -1.41 0.00 0.00 60.65 59.03 2oqs s ILE 25 Cb 0.09 -0.46 -0.14 0.00 0.13 0.00 0.00 42.46 42.08 2oqs s ILE 25 CO 0.80 0.07 1.64 -2.65 -1.91 0.00 0.00 174.94 172.90 2oqs n PRO 26 N 4.57 1.81 0.00 3.50 -0.02 -1.26 -2.41 135.00 141.19 2oqs n PRO 26 Ca -0.19 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2oqs n PRO 26 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 3.64 2.93 3.48 -1.23 0.00 -1.26 -4.99 105.19 107.76 2oqs n GLY 27 Ca 0.20 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 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 6.16 -0.06 1.61 2.15 -1.01 -4.94 116.67 120.59 2oqs s ASP 28 Ca 0.00 -0.73 0.04 0.00 0.43 0.00 0.00 52.55 52.30 2oqs s ASP 28 Cb 0.00 -2.20 0.23 0.00 -0.30 0.00 0.00 42.92 40.65 2oqs s ASP 28 CO 0.00 -0.52 0.89 0.59 -0.17 0.00 0.00 175.17 175.96 2oqs n ASN 29 N 5.43 2.23 -3.47 -0.34 4.13 -1.26 -4.17 115.26 117.81 2oqs n ASN 29 Ca -0.09 -2.24 -0.26 0.00 1.68 0.00 0.00 54.58 53.67 2oqs n ASN 29 Cb 0.47 -0.51 0.22 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 0.17 -1.63 -4.56 6.41 7.64 -1.25 -1.76 113.62 118.63 2oqs n SER 30 Ca 0.08 -1.15 -0.40 0.00 1.01 0.00 0.00 58.87 58.41 2oqs n SER 30 Cb 0.49 -0.89 -0.10 0.00 -1.01 0.00 0.00 64.21 62.70 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 -2.89 5.21 -0.01 0.44 1.09 -0.68 -4.06 121.20 120.29 2oqs s ILE 31 Ca 0.64 0.11 0.05 0.00 -1.10 0.00 0.00 60.65 60.34 2oqs s ILE 31 Cb -0.05 -3.75 -0.03 0.00 -1.06 0.00 0.00 42.46 37.57 2oqs s ILE 31 CO 0.48 0.01 -0.14 -0.31 -0.10 0.00 0.00 174.94 174.88 2oqs s TYR 32 N 1.95 2.69 -0.05 3.97 1.51 -0.76 0.98 117.35 127.64 2oqs s TYR 32 Ca 0.11 -0.17 -0.30 0.00 -1.01 0.00 0.00 57.07 55.70 2oqs s TYR 32 Cb -0.16 -1.57 -0.03 0.00 -0.11 0.00 0.00 41.96 40.09 2oqs s TYR 32 CO 0.11 0.24 1.07 0.08 -1.11 0.00 0.00 175.55 175.94 2oqs s VAL 33 N -0.84 4.60 -0.16 0.71 1.01 -1.21 0.12 120.40 124.63 2oqs s VAL 33 Ca 0.13 1.88 0.18 0.00 0.00 0.00 0.00 61.98 64.17 2oqs s VAL 33 Cb -0.11 -4.21 -0.25 0.00 0.00 0.00 0.00 36.38 31.81 2oqs s VAL 33 CO 0.03 0.05 0.14 1.07 0.00 0.00 0.00 175.10 176.39 2oqs n THR 34 N 4.36 1.07 -3.59 3.92 5.66 -1.16 -2.42 114.28 122.13 2oqs n THR 34 Ca 0.09 -0.75 -0.04 0.00 -3.05 0.00 0.00 64.05 60.29 2oqs n THR 34 Cb 0.48 -0.39 -0.06 0.00 -1.55 0.00 0.00 70.33 68.81 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 -2.65 0.45 -0.26 1.09 -0.14 -1.26 -4.98 119.74 111.98 2oqs s LYS 35 Ca -0.09 1.18 -0.13 0.00 -1.36 0.00 0.00 55.97 55.57 2oqs s LYS 35 Cb 0.07 0.53 -0.04 0.00 -1.68 0.00 0.00 37.83 36.71 2oqs s LYS 35 CO 0.80 -0.28 0.29 0.42 -0.76 0.00 0.00 175.35 175.82 2oqs s ILE 36 N 2.75 5.24 0.36 2.17 1.01 -1.26 0.26 121.20 131.73 2oqs s ILE 36 Ca -0.01 0.40 -0.25 0.00 0.00 0.00 0.00 60.65 60.79 2oqs s ILE 36 Cb -0.12 -3.62 -0.09 0.00 0.01 0.00 0.00 42.46 38.63 2oqs s ILE 36 CO -0.16 0.22 1.02 -0.63 0.00 0.00 0.00 174.94 175.38 2oqs s ILE 37 N 1.80 3.88 0.63 2.92 1.09 0.11 -4.95 121.20 126.67 2oqs s ILE 37 Ca 0.12 1.51 -0.19 0.00 -1.10 0.00 0.00 60.65 60.99 2oqs s ILE 37 Cb -0.16 -3.81 -0.02 0.00 -1.06 0.00 0.00 42.46 37.42 2oqs s ILE 37 CO 0.10 0.07 1.30 -0.62 -0.10 0.00 0.00 174.94 175.69 2oqs n GLU 38 N 0.24 1.20 -1.63 2.79 4.71 -1.26 -2.45 120.64 124.24 2oqs n GLU 38 Ca 0.03 0.47 -0.18 0.00 -0.01 0.00 0.00 57.16 57.47 2oqs n GLU 38 Cb 0.49 -2.54 -0.07 0.00 -1.01 0.00 0.00 31.44 28.32 2oqs n GLU 38 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2oqs n GLY 39 N 0.90 1.46 3.97 0.62 0.00 -1.26 -4.96 105.19 105.92 2oqs n GLY 39 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.47 1.78 0.18 -0.02 0.00 -1.03 -4.81 107.32 100.95 2oqs s GLY 40 Ca 0.00 -1.32 -0.16 0.00 0.00 0.00 0.00 44.72 43.23 2oqs s GLY 40 CO 0.00 -0.94 1.66 0.00 0.00 0.00 0.00 173.10 173.82 2oqs h ALA 41 N -0.25 0.29 0.12 3.20 0.00 0.26 0.24 119.26 123.12 2oqs h ALA 41 Ca -0.41 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2oqs h ALA 41 Cb 1.29 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2oqs h ALA 41 CO 0.51 -0.45 -0.06 0.00 0.00 0.00 0.00 179.25 179.25 2oqs h ALA 42 N 1.44 -0.16 -0.79 0.00 0.00 -1.86 -2.10 119.26 115.79 2oqs h ALA 42 Ca 0.22 -0.25 0.18 0.00 0.00 0.00 0.00 54.91 55.05 2oqs h ALA 42 Cb 0.33 0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.07 2oqs h ALA 42 CO -0.46 -0.26 0.25 1.25 0.00 0.00 0.00 179.25 180.02 2oqs h HIS 43 N -0.82 0.39 -0.06 0.00 6.17 -1.75 0.53 115.15 119.62 2oqs h HIS 43 Ca -0.02 0.04 -0.19 0.00 0.71 0.00 0.00 60.37 60.91 2oqs h HIS 43 Cb 0.56 -0.05 -0.00 0.00 2.52 0.00 0.00 27.41 30.43 2oqs h HIS 43 CO 0.10 -0.07 -0.78 0.87 0.71 0.00 0.00 177.93 178.77 2oqs h LYS 44 N 0.32 0.39 0.17 5.26 1.57 -0.61 -3.29 116.57 120.38 2oqs h LYS 44 Ca 0.46 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2oqs h LYS 44 Cb 0.81 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2oqs h LYS 44 CO -0.51 0.99 -0.08 0.22 -0.57 0.00 0.00 179.45 179.50 2oqs h ASP 45 N 0.26 -0.19 0.00 0.86 3.58 -0.32 -3.47 116.42 117.13 2oqs h ASP 45 Ca -0.04 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.33 2oqs h ASP 45 Cb 1.37 0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.47 2oqs h ASP 45 CO 0.13 -0.04 0.00 0.61 -2.88 0.00 0.00 179.24 177.06 2oqs n GLY 46 N -0.90 3.13 0.20 -0.78 0.00 -0.01 -4.87 105.19 101.96 2oqs n GLY 46 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 1.36 0.54 -5.77 1.61 6.56 -1.92 -3.43 116.57 115.52 2oqs h LYS 47 Ca 0.00 -0.39 -0.58 0.00 -1.06 0.00 0.00 60.65 58.62 2oqs h LYS 47 Cb 0.00 0.07 -0.08 0.00 -0.57 0.00 0.00 32.23 31.65 2oqs h LYS 47 CO 0.00 1.01 -0.07 -1.17 -2.06 0.00 0.00 179.45 177.16 2oqs s LEU 48 N -8.21 4.26 0.01 2.94 0.20 -1.26 -5.07 118.68 111.55 2oqs s LEU 48 Ca -0.07 0.87 0.03 0.00 0.69 0.00 0.00 54.13 55.65 2oqs s LEU 48 Cb 0.11 -2.78 -0.01 0.00 -0.43 0.00 0.00 46.19 43.07 2oqs s LEU 48 CO 0.85 -0.06 -0.08 0.00 -0.29 0.00 0.00 176.35 176.77 2oqs s GLN 49 N 0.84 0.62 -0.22 1.98 0.00 -1.26 -4.67 119.66 116.95 2oqs s GLN 49 Ca 0.28 -0.43 -0.40 0.00 -0.00 0.00 0.00 55.36 54.81 2oqs s GLN 49 Cb -0.16 -0.56 -0.17 0.00 0.00 0.00 0.00 33.01 32.13 2oqs s GLN 49 CO 0.12 0.14 1.62 0.44 0.00 0.00 0.00 175.29 177.61 2oqs n ILE 50 N 2.47 0.20 0.00 3.63 -6.64 -1.26 -2.17 119.36 115.60 2oqs n ILE 50 Ca -0.16 -0.04 0.00 0.00 -1.77 0.00 0.00 62.75 60.79 2oqs n ILE 50 Cb 0.57 -1.01 0.00 0.00 -1.44 0.00 0.00 39.64 37.76 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 3.74 2.15 3.74 3.28 0.00 -1.01 -5.01 105.19 112.08 2oqs n GLY 51 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.89 4.07 0.06 1.61 1.47 -0.92 -4.83 116.67 116.24 2oqs s ASP 52 Ca 0.00 1.78 0.05 0.00 1.18 0.00 0.00 52.55 55.57 2oqs s ASP 52 Cb 0.00 -2.45 -0.04 0.00 -0.34 0.00 0.00 42.92 40.10 2oqs s ASP 52 CO 0.00 -2.31 -0.08 -1.59 0.68 0.00 0.00 175.17 171.87 2oqs s LYS 53 N -4.88 2.33 -0.48 2.11 0.00 -1.26 -3.28 119.74 114.28 2oqs s LYS 53 Ca 0.62 -0.89 -0.16 0.00 0.00 0.00 0.00 55.97 55.54 2oqs s LYS 53 Cb -0.18 -2.40 0.07 0.00 0.00 0.00 0.00 37.83 35.32 2oqs s LYS 53 CO 0.57 0.55 0.43 -0.51 0.00 0.00 0.00 175.35 176.38 2oqs s LEU 54 N -1.90 5.56 -0.03 2.77 1.43 0.28 -1.07 118.68 125.71 2oqs s LEU 54 Ca 0.20 -1.29 -0.25 0.00 -1.03 0.00 0.00 54.13 51.76 2oqs s LEU 54 Cb -0.11 -2.22 -0.19 0.00 0.03 0.00 0.00 46.19 43.70 2oqs s LEU 54 CO 0.12 -0.69 1.17 0.25 0.23 0.00 0.00 176.35 177.43 2oqs h LEU 55 N 8.89 -0.07 -7.46 1.79 5.85 -0.40 -3.29 115.31 120.62 2oqs h LEU 55 Ca -0.28 -0.45 -0.09 0.00 0.84 0.00 0.00 57.88 57.89 2oqs h LEU 55 Cb 1.11 0.02 -0.17 0.00 0.37 0.00 0.00 40.66 41.99 2oqs h LEU 55 CO 0.90 0.44 -0.18 0.00 -0.34 0.00 0.00 178.44 179.26 2oqs s ALA 56 N -4.13 -0.86 -0.13 1.25 0.00 0.21 -0.29 121.76 117.83 2oqs s ALA 56 Ca -0.15 0.18 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 2oqs s ALA 56 Cb 0.01 0.31 0.05 0.00 0.00 0.00 0.00 23.12 23.50 2oqs s ALA 56 CO 0.63 -0.42 0.08 0.08 0.00 0.00 0.00 175.76 176.12 2oqs s VAL 57 N -2.42 -0.06 -0.97 0.00 1.01 0.39 0.72 120.40 119.06 2oqs s VAL 57 Ca -0.06 0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 2oqs s VAL 57 Cb -0.01 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 35.93 2oqs s VAL 57 CO -0.02 -0.12 0.85 0.59 0.00 0.00 0.00 175.10 176.40 2oqs n ASN 58 N 5.28 -5.01 0.00 3.32 3.02 -1.09 -2.58 115.26 118.20 2oqs n ASN 58 Ca -0.06 -0.39 0.00 0.00 -0.03 0.00 0.00 54.58 54.10 2oqs n ASN 58 Cb 0.49 -3.77 0.00 0.00 -0.61 0.00 0.00 39.78 35.89 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 -1.80 0.00 -4.88 6.41 5.15 -1.26 -5.02 115.26 113.86 2oqs n ASN 59 Ca -0.00 0.00 -0.32 0.00 -0.60 0.00 0.00 54.58 53.66 2oqs n ASN 59 Cb 0.55 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.75 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 -1.93 5.03 -0.05 3.44 -7.23 -1.06 -5.06 120.40 113.53 2oqs s VAL 60 Ca 0.00 0.31 -0.26 0.00 -1.81 0.00 0.00 61.98 60.23 2oqs s VAL 60 Cb 0.00 -3.62 -0.03 0.00 0.56 0.00 0.00 36.38 33.28 2oqs s VAL 60 CO 0.00 0.00 0.80 0.00 -0.31 0.00 0.00 175.10 175.59 2oqs n LEU 62 N 3.90 6.06 -0.00 0.00 7.94 0.61 -4.33 117.00 131.17 2oqs n LEU 62 Ca 0.01 -3.57 0.03 0.00 -1.11 0.00 0.00 56.01 51.38 2oqs n LEU 62 Cb 0.51 -0.78 -0.05 0.00 0.53 0.00 0.00 43.42 43.64 2oqs n LEU 62 CO 0.49 1.05 -0.48 -1.84 -1.11 0.00 0.00 177.39 175.50 2oqs n GLU 63 N -0.97 1.02 -2.25 1.96 0.28 -1.24 -1.68 120.64 117.76 2oqs n GLU 63 Ca 0.51 -0.05 -0.18 0.00 -0.16 0.00 0.00 57.16 57.28 2oqs n GLU 63 Cb 1.49 -1.09 0.03 0.00 1.43 0.00 0.00 31.44 33.29 2oqs n GLU 63 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2oqs n GLU 64 N -1.62 3.10 -4.17 3.44 2.13 -1.26 -3.94 120.64 118.31 2oqs n GLU 64 Ca -0.01 -4.00 -0.11 0.00 0.66 0.00 0.00 57.16 53.70 2oqs n GLU 64 Cb 0.16 -2.09 -0.10 0.00 0.27 0.00 0.00 31.44 29.67 2oqs n GLU 64 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2oqs s VAL 65 N -4.41 0.76 0.08 6.31 -7.23 -1.26 -5.10 120.40 109.55 2oqs s VAL 65 Ca 0.44 -1.89 -0.01 0.00 -1.81 0.00 0.00 61.98 58.71 2oqs s VAL 65 Cb 0.39 -1.63 0.02 0.00 0.56 0.00 0.00 36.38 35.72 2oqs s VAL 65 CO 0.01 -0.81 0.07 0.41 -0.31 0.00 0.00 175.10 174.47 2oqs n THR 66 N 0.05 0.00 0.05 5.32 -1.04 -1.26 -2.72 114.28 114.67 2oqs n THR 66 Ca -0.13 -0.03 -0.15 0.00 -2.04 0.00 0.00 64.05 61.70 2oqs n THR 66 Cb 0.60 -0.97 -0.05 0.00 -1.82 0.00 0.00 70.33 68.09 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 -1.60 0.77 -0.66 -1.42 2.76 -0.79 -2.82 115.15 111.39 2oqs h HIS 67 Ca -0.03 -0.40 0.13 0.00 -2.20 0.00 0.00 60.37 57.88 2oqs h HIS 67 Cb 0.08 -0.10 -0.09 0.00 1.55 0.00 0.00 27.41 28.85 2oqs h HIS 67 CO 0.00 1.21 0.16 0.93 -1.30 0.00 0.00 177.93 178.93 2oqs h GLU 68 N 0.32 0.27 -0.30 5.26 5.08 -1.93 0.12 114.58 123.40 2oqs h GLU 68 Ca -0.08 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 2oqs h GLU 68 Cb 1.54 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 2oqs h GLU 68 CO 0.17 0.18 -0.28 0.93 -1.00 0.00 0.00 179.01 179.01 2oqs h GLU 69 N 0.28 0.60 -0.62 2.33 3.07 -1.91 0.81 114.58 119.14 2oqs h GLU 69 Ca 0.35 -0.25 0.04 0.00 -0.50 0.00 0.00 59.36 59.00 2oqs h GLU 69 Cb 0.55 -0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.39 2oqs h GLU 69 CO -0.44 0.82 0.36 0.00 -1.40 0.00 0.00 179.01 178.36 2oqs h ALA 70 N 1.17 0.82 0.08 3.43 0.00 -0.58 -0.33 119.26 123.85 2oqs h ALA 70 Ca 0.07 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.72 2oqs h ALA 70 Cb 0.75 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2oqs h ALA 70 CO 0.06 0.07 -1.17 0.28 0.00 0.00 0.00 179.25 178.49 2oqs h VAL 71 N 0.70 1.56 -0.69 0.00 2.07 -0.95 -2.91 116.25 116.02 2oqs h VAL 71 Ca 0.26 -3.18 -0.05 0.00 0.82 0.00 0.00 66.70 64.56 2oqs h VAL 71 Cb 0.09 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.73 2oqs h VAL 71 CO -0.14 0.92 0.25 0.74 0.02 0.00 0.00 177.57 179.36 2oqs h THR 72 N 0.05 1.24 0.07 2.57 2.02 -0.44 0.24 112.91 118.66 2oqs h THR 72 Ca -0.10 -0.80 -0.26 0.00 0.77 0.00 0.00 66.41 66.03 2oqs h THR 72 Cb 1.90 0.45 0.01 0.00 -1.74 0.00 0.00 68.15 68.77 2oqs h THR 72 CO 0.17 0.32 -1.11 0.00 0.37 0.00 0.00 175.52 175.27 2oqs h ALA 73 N 1.26 0.20 -0.02 6.16 0.00 -1.15 -1.41 119.26 124.30 2oqs h ALA 73 Ca 0.23 -0.79 -0.16 0.00 0.00 0.00 0.00 54.91 54.19 2oqs h ALA 73 Cb 0.23 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2oqs h ALA 73 CO -0.01 0.87 -0.70 -0.07 0.00 0.00 0.00 179.25 179.33 2oqs h LEU 74 N 0.16 0.13 0.00 0.00 -0.00 -1.34 -3.10 115.31 111.17 2oqs h LEU 74 Ca -0.12 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.67 2oqs h LEU 74 Cb 1.79 -0.04 -0.00 0.00 -0.00 0.00 0.00 40.66 42.41 2oqs h LEU 74 CO 0.19 0.79 -0.43 0.07 -0.00 0.00 0.00 178.44 179.06 2oqs h LYS 75 N 0.08 0.00 -3.14 1.13 2.10 -0.56 -3.39 116.57 112.79 2oqs h LYS 75 Ca -0.01 0.00 -0.70 0.00 -2.00 0.00 0.00 60.65 57.94 2oqs h LYS 75 Cb 1.24 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.54 2oqs h LYS 75 CO 0.10 0.02 3.30 -1.71 -2.00 0.00 0.00 179.45 179.17 2oqs n ASN 76 N -2.94 7.48 -4.16 7.07 5.15 -0.53 -4.89 115.26 122.44 2oqs n ASN 76 Ca 0.02 -2.78 -0.31 0.00 -0.60 0.00 0.00 54.58 50.92 2oqs n ASN 76 Cb 0.55 -1.53 -0.17 0.00 -0.53 0.00 0.00 39.78 38.10 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 1.54 1.88 0.00 -0.44 -4.23 -1.26 -4.97 115.64 108.15 2oqs s THR 77 Ca 0.60 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 2oqs s THR 77 Cb 0.17 -1.65 0.00 0.00 1.34 0.00 0.00 72.50 72.35 2oqs s THR 77 CO -0.07 0.52 0.00 -1.20 -0.54 0.00 0.00 174.62 173.33 2oqs n SER 78 N 3.85 0.00 -0.20 3.99 7.64 -1.26 -4.98 113.62 122.66 2oqs n SER 78 Ca -0.20 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.68 2oqs n SER 78 Cb 0.52 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.79 2oqs n SER 78 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2oqs h ASP 79 N 0.00 -0.48 -2.56 6.43 5.19 -1.98 -3.41 116.42 119.61 2oqs h ASP 79 Ca 0.00 0.17 -0.55 0.00 -0.62 0.00 0.00 57.03 56.04 2oqs h ASP 79 Cb 0.00 0.35 -0.14 0.00 0.18 0.00 0.00 39.33 39.72 2oqs h ASP 79 CO 0.00 -0.18 -0.71 -0.36 -3.12 0.00 0.00 179.24 174.87 2oqs s PHE 80 N -6.20 2.10 0.01 4.55 0.40 -1.26 -1.02 117.98 116.56 2oqs s PHE 80 Ca -0.14 -0.53 -0.02 0.00 -0.60 0.00 0.00 56.93 55.64 2oqs s PHE 80 Cb 0.19 -1.08 -0.01 0.00 0.51 0.00 0.00 43.02 42.63 2oqs s PHE 80 CO 0.73 0.49 0.02 0.54 0.70 0.00 0.00 175.22 177.70 2oqs s VAL 81 N -2.78 0.09 -0.35 -0.44 0.11 -1.11 -4.92 120.40 111.01 2oqs s VAL 81 Ca 0.29 -0.71 0.01 0.00 -2.93 0.00 0.00 61.98 58.64 2oqs s VAL 81 Cb 0.00 -0.27 0.11 0.00 -1.53 0.00 0.00 36.38 34.69 2oqs s VAL 81 CO 0.13 -0.39 0.11 -0.47 -3.33 0.00 0.00 175.10 171.14 2oqs s TYR 82 N -1.20 2.50 -0.00 1.54 6.14 -1.26 -2.52 117.35 122.55 2oqs s TYR 82 Ca -0.13 -2.32 -0.15 0.00 0.64 0.00 0.00 57.07 55.11 2oqs s TYR 82 Cb -0.08 -2.20 -0.06 0.00 0.42 0.00 0.00 41.96 40.05 2oqs s TYR 82 CO -0.00 -0.88 0.43 -1.17 0.64 0.00 0.00 175.55 174.56 2oqs s LEU 83 N 1.13 4.47 -0.21 6.97 2.96 -1.04 -2.65 118.68 130.31 2oqs s LEU 83 Ca 0.11 0.98 0.00 0.00 -0.22 0.00 0.00 54.13 55.01 2oqs s LEU 83 Cb -0.19 -2.62 0.02 0.00 0.50 0.00 0.00 46.19 43.90 2oqs s LEU 83 CO -0.15 0.30 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.50 2oqs s LYS 84 N -0.97 2.88 -0.09 1.98 1.02 0.22 0.46 119.74 125.25 2oqs s LYS 84 Ca 0.24 -0.92 -0.03 0.00 0.02 0.00 0.00 55.97 55.28 2oqs s LYS 84 Cb -0.17 -2.75 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 2oqs s LYS 84 CO 0.14 -0.30 0.03 0.08 -0.92 0.00 0.00 175.35 174.37 2oqs s VAL 85 N 1.29 4.56 0.11 3.17 1.01 -0.26 0.29 120.40 130.57 2oqs s VAL 85 Ca 0.02 -0.15 -0.25 0.00 0.00 0.00 0.00 61.98 61.60 2oqs s VAL 85 Cb -0.15 -2.93 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 2oqs s VAL 85 CO -0.09 0.61 0.75 0.00 0.00 0.00 0.00 175.10 176.37 2oqs s ALA 86 N -0.88 3.44 -0.36 5.51 0.00 -0.23 -0.89 121.76 128.35 2oqs s ALA 86 Ca 0.13 0.30 -0.07 0.00 0.00 0.00 0.00 51.96 52.32 2oqs s ALA 86 Cb -0.11 -2.94 0.05 0.00 0.00 0.00 0.00 23.12 20.12 2oqs s ALA 86 CO 0.03 0.22 0.14 0.21 0.00 0.00 0.00 175.76 176.36 2oqs s LYS 87 N -0.76 2.59 0.37 0.00 2.47 -1.26 -4.34 119.74 118.81 2oqs s LYS 87 Ca 0.36 -1.27 -0.26 0.00 -1.56 0.00 0.00 55.97 53.24 2oqs s LYS 87 Cb -0.22 -3.54 -0.09 0.00 -1.46 0.00 0.00 37.83 32.52 2oqs s LYS 87 CO 0.24 -0.74 1.16 -1.25 0.16 0.00 0.00 175.35 174.92 2oqs s PRO 88 N 1.40 4.20 0.03 4.03 0.04 -1.26 -4.94 135.00 138.49 2oqs s PRO 88 Ca -0.00 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2oqs s PRO 88 Cb -0.20 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.53 2oqs s PRO 88 CO 0.02 -0.19 0.00 2.41 0.04 0.00 0.00 177.00 179.28 2oqs n THR 89 N 0.35 0.00 0.00 1.26 -1.04 -1.26 -5.15 114.28 108.44 2oqs n THR 89 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2oqs n THR 89 Cb 0.46 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 2oqs n THR 89 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2oqs n GLY 90 N 1.40 0.91 0.19 3.41 0.00 -1.26 -5.06 105.19 104.79 2oqs n GLY 90 Ca 0.00 0.31 -0.20 0.00 0.00 0.00 0.00 46.02 46.12 2oqs n GLY 90 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2oqs h SER 91 N 0.00 0.88 0.00 1.61 4.64 -2.02 -3.57 113.55 115.09 2oqs h SER 91 Ca 0.00 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 60.57 2oqs h SER 91 Cb 0.00 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 61.82 2oqs h SER 91 CO 0.00 1.52 0.00 0.00 -0.87 0.00 0.00 176.83 177.48