#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujv n SER 2 N 0.00 -3.16 -3.41 1.61 7.64 -1.26 -5.07 113.62 109.97 1ujv n SER 2 Ca 0.00 0.49 -0.27 0.00 1.01 0.00 0.00 58.87 60.10 1ujv n SER 2 Cb 0.00 -2.50 -0.11 0.00 -1.01 0.00 0.00 64.21 60.59 1ujv n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ujv s SER 3 N -0.45 2.18 0.00 6.43 0.01 -1.26 -4.85 113.70 115.75 1ujv s SER 3 Ca -0.04 -2.39 0.00 0.00 1.31 0.00 0.00 55.95 54.84 1ujv s SER 3 Cb 0.00 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.98 1ujv s SER 3 CO 0.27 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.28 1ujv n GLY 4 N 3.66 1.94 5.00 3.44 0.00 -1.26 -5.04 105.19 112.93 1ujv n GLY 4 Ca 0.18 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1ujv n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujv n SER 5 N 0.00 0.00 -4.63 1.61 7.64 -1.26 -4.79 113.62 112.20 1ujv n SER 5 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 1ujv n SER 5 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1ujv n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujv s SER 6 N 0.00 5.89 -0.26 6.43 0.15 -1.26 -4.94 113.70 119.71 1ujv s SER 6 Ca 0.00 2.23 -0.07 0.00 0.70 0.00 0.00 55.95 58.81 1ujv s SER 6 Cb 0.00 -2.52 0.12 0.00 -1.71 0.00 0.00 66.02 61.91 1ujv s SER 6 CO 0.00 -1.57 0.53 -0.83 1.20 0.00 0.00 173.24 172.57 1ujv s GLY 7 N 6.61 -0.59 0.29 9.45 0.00 -1.26 -5.14 107.32 116.67 1ujv s GLY 7 Ca 0.95 1.83 -0.30 0.00 0.00 0.00 0.00 44.72 47.20 1ujv s GLY 7 CO 0.38 2.82 1.55 1.20 0.00 0.00 0.00 173.10 179.05 1ujv s GLN 8 N 2.75 4.15 0.35 2.90 -0.21 -1.26 -4.99 119.66 123.35 1ujv s GLN 8 Ca 0.01 2.53 -0.13 0.00 0.02 0.00 0.00 55.36 57.78 1ujv s GLN 8 Cb -0.13 -3.03 0.03 0.00 1.00 0.00 0.00 33.01 30.89 1ujv s GLN 8 CO -0.17 -0.58 0.69 0.00 -2.12 0.00 0.00 175.29 173.11 1ujv s ALA 9 N -0.13 -0.43 -1.12 6.09 0.00 -1.26 -4.98 121.76 119.93 1ujv s ALA 9 Ca 0.61 -0.88 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 1ujv s ALA 9 Cb -0.47 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 1ujv s ALA 9 CO 0.49 -0.94 0.84 0.39 0.00 0.00 0.00 175.76 176.54 1ujv n GLU 10 N -0.52 -2.18 -4.37 0.00 -0.58 -1.26 -4.93 120.64 106.80 1ujv n GLU 10 Ca -0.05 0.66 -0.25 0.00 -0.42 0.00 0.00 57.16 57.09 1ujv n GLU 10 Cb 0.60 -5.00 -0.10 0.00 -0.57 0.00 0.00 31.44 26.38 1ujv n GLU 10 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ujv s LEU 11 N -6.03 2.80 0.05 -4.62 1.43 -1.22 -1.72 118.68 109.36 1ujv s LEU 11 Ca 0.41 -0.79 0.06 0.00 -1.03 0.00 0.00 54.13 52.78 1ujv s LEU 11 Cb -0.10 -1.41 -0.02 0.00 0.03 0.00 0.00 46.19 44.69 1ujv s LEU 11 CO 0.80 0.06 -0.16 -0.04 0.23 0.00 0.00 176.35 177.24 1ujv s MET 12 N -3.19 1.07 -0.23 1.70 -1.94 0.24 -4.76 119.30 112.20 1ujv s MET 12 Ca 0.27 -0.85 0.02 0.00 -1.71 0.00 0.00 55.69 53.41 1ujv s MET 12 Cb -0.07 -1.13 0.05 0.00 2.01 0.00 0.00 34.83 35.69 1ujv s MET 12 CO 0.15 0.28 -0.10 0.99 -0.01 0.00 0.00 175.02 176.33 1ujv s THR 13 N -0.88 1.86 0.39 2.05 2.01 -1.26 -0.77 115.64 119.03 1ujv s THR 13 Ca 0.03 -1.30 0.08 0.00 0.31 0.00 0.00 61.69 60.81 1ujv s THR 13 Cb -0.08 -1.97 -0.07 0.00 0.01 0.00 0.00 72.50 70.39 1ujv s THR 13 CO 0.02 0.06 0.04 -0.76 -0.69 0.00 0.00 174.62 173.29 1ujv s LEU 14 N 1.27 2.94 0.06 4.42 1.43 0.29 -4.99 118.68 124.09 1ujv s LEU 14 Ca -0.05 -1.20 0.03 0.00 -1.03 0.00 0.00 54.13 51.89 1ujv s LEU 14 Cb -0.18 -1.14 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 1ujv s LEU 14 CO -0.07 -0.40 -0.11 -0.89 0.23 0.00 0.00 176.35 175.12 1ujv s THR 15 N -2.63 0.79 0.01 5.49 2.01 -1.26 -1.27 115.64 118.78 1ujv s THR 15 Ca 0.36 -1.18 -0.00 0.00 0.31 0.00 0.00 61.69 61.18 1ujv s THR 15 Cb 0.05 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.74 1ujv s THR 15 CO 0.19 -0.31 -0.01 0.27 -0.69 0.00 0.00 174.62 174.07 1ujv s ILE 16 N -1.34 0.06 -0.21 1.82 -4.36 -0.17 -4.62 121.20 112.39 1ujv s ILE 16 Ca -0.06 -0.51 -0.01 0.00 -0.26 0.00 0.00 60.65 59.80 1ujv s ILE 16 Cb -0.10 -0.16 0.02 0.00 1.25 0.00 0.00 42.46 43.47 1ujv s ILE 16 CO 0.01 -0.28 -0.13 -0.69 0.24 0.00 0.00 174.94 174.09 1ujv s VAL 17 N -0.83 2.57 0.17 8.37 1.01 -1.24 -0.51 120.40 129.94 1ujv s VAL 17 Ca -0.09 -0.88 -0.34 0.00 0.00 0.00 0.00 61.98 60.68 1ujv s VAL 17 Cb -0.06 -2.18 -0.14 0.00 0.00 0.00 0.00 36.38 34.01 1ujv s VAL 17 CO -0.01 0.41 1.60 1.17 0.00 0.00 0.00 175.10 178.28 1ujv n LYS 18 N 4.67 2.25 0.00 2.72 4.81 -1.24 -4.73 118.16 126.63 1ujv n LYS 18 Ca -0.19 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 1ujv n LYS 18 Cb 0.49 -2.59 0.00 0.00 0.02 0.00 0.00 35.03 32.95 1ujv n LYS 18 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ujv n GLY 19 N 3.51 1.35 3.42 3.14 0.00 -1.18 -1.65 105.19 113.77 1ujv n GLY 19 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1ujv n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujv s ALA 20 N -3.80 -1.31 0.00 4.61 0.00 -1.26 -4.56 121.76 115.43 1ujv s ALA 20 Ca 0.00 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1ujv s ALA 20 Cb 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1ujv s ALA 20 CO 0.00 -0.28 0.00 1.04 0.00 0.00 0.00 175.76 176.52 1ujv n GLN 21 N 2.16 0.00 -3.84 0.00 6.02 -1.26 -4.67 117.38 115.80 1ujv n GLN 21 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 1ujv n GLN 21 Cb 0.56 -3.55 0.00 0.00 1.02 0.00 0.00 30.24 28.28 1ujv n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ujv n GLY 22 N -1.43 -2.31 0.71 1.08 0.00 -1.26 -4.96 105.19 97.03 1ujv n GLY 22 Ca 0.00 -1.25 0.11 0.00 0.00 0.00 0.00 46.02 44.89 1ujv n GLY 22 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ujv n PHE 23 N 1.42 0.24 0.00 1.61 3.01 -1.26 -3.12 117.46 119.36 1ujv n PHE 23 Ca 0.00 -0.12 0.00 0.00 1.01 0.00 0.00 57.45 58.34 1ujv n PHE 23 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1ujv n PHE 23 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ujv n GLY 24 N 1.23 1.37 3.55 1.37 0.00 -1.26 -4.32 105.19 107.13 1ujv n GLY 24 Ca 0.17 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1ujv n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ujv s PHE 25 N 0.00 1.49 0.11 1.61 -0.71 -1.26 -4.53 117.98 114.68 1ujv s PHE 25 Ca 0.00 1.33 0.07 0.00 -1.04 0.00 0.00 56.93 57.30 1ujv s PHE 25 Cb 0.00 -3.17 -0.03 0.00 -1.21 0.00 0.00 43.02 38.61 1ujv s PHE 25 CO 0.00 -3.51 -0.18 0.95 -1.34 0.00 0.00 175.22 171.14 1ujv s THR 26 N -2.55 1.54 0.43 -4.49 -4.23 0.33 -4.96 115.64 101.72 1ujv s THR 26 Ca 0.68 -1.56 0.06 0.00 -1.18 0.00 0.00 61.69 59.68 1ujv s THR 26 Cb -0.24 -1.48 -0.07 0.00 1.34 0.00 0.00 72.50 72.05 1ujv s THR 26 CO 0.62 -0.18 0.01 0.27 -0.54 0.00 0.00 174.62 174.81 1ujv s ILE 27 N -1.44 1.86 0.10 2.99 -4.36 -1.26 -0.84 121.20 118.25 1ujv s ILE 27 Ca 0.06 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 1ujv s ILE 27 Cb -0.09 -2.85 -0.04 0.00 1.25 0.00 0.00 42.46 40.73 1ujv s ILE 27 CO 0.04 0.00 -0.02 0.00 0.24 0.00 0.00 174.94 175.19 1ujv s ALA 28 N -2.74 0.87 0.36 2.27 0.00 0.30 -4.67 121.76 118.15 1ujv s ALA 28 Ca 0.30 -1.36 -0.26 0.00 0.00 0.00 0.00 51.96 50.64 1ujv s ALA 28 Cb 0.08 0.37 -0.09 0.00 0.00 0.00 0.00 23.12 23.48 1ujv s ALA 28 CO 0.15 -0.33 1.09 -0.51 0.00 0.00 0.00 175.76 176.17 1ujv s ASP 29 N -3.02 6.89 0.39 0.00 1.01 -1.26 -1.58 116.67 119.09 1ujv s ASP 29 Ca 0.14 2.18 0.04 0.00 0.71 0.00 0.00 52.55 55.62 1ujv s ASP 29 Cb 0.07 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.36 1ujv s ASP 29 CO -0.04 -0.41 0.12 -0.94 0.21 0.00 0.00 175.17 174.12 1ujv s SER 30 N -1.24 2.64 0.55 0.27 1.04 -0.54 -4.85 113.70 111.59 1ujv s SER 30 Ca 0.53 -1.63 0.36 0.00 0.48 0.00 0.00 55.95 55.70 1ujv s SER 30 Cb -0.27 0.42 1.75 0.00 0.10 0.00 0.00 66.02 68.02 1ujv s SER 30 CO 0.35 -0.89 2.09 1.55 0.98 0.00 0.00 173.24 177.32 1ujv h PRO 31 N 1.86 0.00 -0.14 4.02 0.13 -2.01 -3.15 132.00 132.71 1ujv h PRO 31 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1ujv h PRO 31 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ujv h PRO 31 CO 0.58 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.60 1ujv n THR 32 N -2.94 0.33 0.00 1.56 -2.24 -1.26 -5.09 114.28 104.63 1ujv n THR 32 Ca -0.01 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1ujv n THR 32 Cb 0.18 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1ujv n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ujv n GLY 33 N 0.69 -0.00 3.80 3.38 0.00 -1.19 -5.01 105.19 106.86 1ujv n GLY 33 Ca 0.09 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.51 1ujv n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ujv s GLN 34 N 0.00 4.39 0.12 1.61 -1.52 -1.26 -1.46 119.66 121.53 1ujv s GLN 34 Ca 0.00 1.10 0.04 0.00 -1.95 0.00 0.00 55.36 54.56 1ujv s GLN 34 Cb 0.00 -2.72 -0.04 0.00 -0.22 0.00 0.00 33.01 30.03 1ujv s GLN 34 CO 0.00 0.27 -0.11 1.03 -0.25 0.00 0.00 175.29 176.23 1ujv s ARG 35 N -2.24 0.96 0.30 2.91 0.52 -0.62 -1.24 118.95 119.53 1ujv s ARG 35 Ca 0.50 -1.27 -0.29 0.00 -0.52 0.00 0.00 55.73 54.15 1ujv s ARG 35 Cb -0.16 -0.65 -0.09 0.00 0.52 0.00 0.00 34.95 34.56 1ujv s ARG 35 CO 0.21 0.10 1.10 0.08 0.02 0.00 0.00 175.30 176.81 1ujv s VAL 36 N -2.65 3.48 -0.05 3.52 1.01 -1.18 -0.54 120.40 123.99 1ujv s VAL 36 Ca 0.10 1.45 -0.07 0.00 0.00 0.00 0.00 61.98 63.46 1ujv s VAL 36 Cb -0.02 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1ujv s VAL 36 CO 0.01 0.32 -0.13 1.17 0.00 0.00 0.00 175.10 176.46 1ujv n LYS 37 N 1.04 0.20 -3.79 2.72 4.81 -0.02 -2.18 118.16 120.94 1ujv n LYS 37 Ca -0.00 0.08 -0.13 0.00 -0.87 0.00 0.00 58.31 57.38 1ujv n LYS 37 Cb 0.45 -0.78 -0.14 0.00 0.02 0.00 0.00 35.03 34.58 1ujv n LYS 37 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1ujv s GLN 38 N -1.88 0.09 -0.13 1.64 2.00 -1.18 -4.83 119.66 115.37 1ujv s GLN 38 Ca -0.11 0.25 -0.09 0.00 -2.00 0.00 0.00 55.36 53.41 1ujv s GLN 38 Cb 0.02 -0.08 -0.04 0.00 0.80 0.00 0.00 33.01 33.70 1ujv s GLN 38 CO 0.16 -0.10 0.19 0.42 -0.50 0.00 0.00 175.29 175.46 1ujv s ILE 39 N 0.67 5.41 0.01 -2.34 1.01 -1.26 -0.51 121.20 124.18 1ujv s ILE 39 Ca -0.05 0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.92 1ujv s ILE 39 Cb -0.07 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.92 1ujv s ILE 39 CO -0.03 0.55 0.00 0.18 0.00 0.00 0.00 174.94 175.64 1ujv n LEU 40 N 2.48 0.05 -4.40 2.97 4.77 -1.26 -4.91 117.00 116.70 1ujv n LEU 40 Ca -0.17 0.01 -0.45 0.00 -0.03 0.00 0.00 56.01 55.37 1ujv n LEU 40 Cb 0.54 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1ujv n LEU 40 CO 0.34 -0.10 0.63 -0.62 -1.33 0.00 0.00 177.39 176.31 1ujv s ASP 41 N -5.05 6.42 0.02 -1.43 -1.08 -1.26 -4.94 116.67 109.34 1ujv s ASP 41 Ca 0.00 -1.78 -0.26 0.00 -0.52 0.00 0.00 52.55 49.99 1ujv s ASP 41 Cb 0.00 -2.33 -0.17 0.00 -1.46 0.00 0.00 42.92 38.96 1ujv s ASP 41 CO 0.00 -1.05 1.33 0.40 0.52 0.00 0.00 175.17 176.37 1ujv h ILE 42 N 5.71 0.70 0.00 4.11 2.04 -1.90 -2.63 117.51 125.53 1ujv h ILE 42 Ca -0.09 -0.49 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 1ujv h ILE 42 Cb 1.06 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1ujv h ILE 42 CO 1.05 0.10 -0.00 1.56 0.00 0.00 0.00 178.15 180.86 1ujv h GLN 43 N -0.70 0.00 0.00 2.37 4.20 -1.98 -0.49 115.11 118.51 1ujv h GLN 43 Ca -0.04 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 1ujv h GLN 43 Cb 0.48 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1ujv h GLN 43 CO 0.07 0.00 -0.17 0.78 -0.67 0.00 0.00 178.83 178.84 1ujv h GLY 44 N 0.00 0.00 -6.19 3.46 0.00 -1.78 -3.37 103.07 95.18 1ujv h GLY 44 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1ujv h GLY 44 CO 0.00 0.00 -1.02 0.00 0.00 0.00 0.00 176.54 175.52 1ujv s PRO 46 N -0.43 3.15 0.00 0.00 0.04 -1.18 -3.87 135.00 132.71 1ujv s PRO 46 Ca 0.34 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.64 1ujv s PRO 46 Cb 0.09 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1ujv s PRO 46 CO -0.16 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.33 1ujv n GLY 47 N -0.84 1.12 3.63 0.56 0.00 -1.26 -4.75 105.19 103.65 1ujv n GLY 47 Ca 0.09 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.63 1ujv n GLY 47 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ujv n LEU 48 N 0.00 2.32 0.00 0.99 7.94 -1.25 -5.02 117.00 121.98 1ujv n LEU 48 Ca 0.00 1.12 -0.11 0.00 -1.11 0.00 0.00 56.01 55.91 1ujv n LEU 48 Cb 0.00 -1.31 -0.02 0.00 0.53 0.00 0.00 43.42 42.62 1ujv n LEU 48 CO 0.00 -0.78 -0.08 0.00 -1.11 0.00 0.00 177.39 175.42 1ujv s GLU 50 N -2.61 2.51 0.00 0.00 2.02 -1.26 -4.14 118.70 115.22 1ujv s GLU 50 Ca 0.02 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 53.52 1ujv s GLU 50 Cb 0.00 -3.70 0.00 0.00 0.10 0.00 0.00 34.13 30.53 1ujv s GLU 50 CO 0.01 -0.94 0.00 0.41 0.02 0.00 0.00 175.26 174.76 1ujv n GLY 51 N 4.85 0.98 3.49 -1.39 0.00 -0.93 -4.96 105.19 107.23 1ujv n GLY 51 Ca -0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.48 1ujv n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ujv n ASP 52 N 0.00 1.87 -4.56 1.61 9.92 -1.26 -4.47 116.55 119.66 1ujv n ASP 52 Ca 0.00 0.12 -0.40 0.00 -0.53 0.00 0.00 54.79 53.98 1ujv n ASP 52 Cb 0.00 -1.29 -0.03 0.00 -0.64 0.00 0.00 41.12 39.16 1ujv n ASP 52 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1ujv s LEU 53 N 8.95 3.27 0.16 0.64 1.98 -1.26 -3.10 118.68 129.32 1ujv s LEU 53 Ca 1.11 0.04 -0.32 0.00 -2.89 0.00 0.00 54.13 52.08 1ujv s LEU 53 Cb -0.74 -2.68 -0.10 0.00 0.66 0.00 0.00 46.19 43.33 1ujv s LEU 53 CO 0.43 -2.01 1.56 -0.63 -1.89 0.00 0.00 176.35 173.81 1ujv s ILE 54 N 7.06 2.67 0.00 6.68 1.01 -0.38 -0.59 121.20 137.65 1ujv s ILE 54 Ca 0.52 0.48 0.00 0.00 0.00 0.00 0.00 60.65 61.64 1ujv s ILE 54 Cb -0.11 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.06 1ujv s ILE 54 CO 0.20 0.04 0.00 0.52 0.00 0.00 0.00 174.94 175.69 1ujv n VAL 55 N 3.98 0.00 -4.13 2.92 0.31 -0.10 -4.49 118.33 116.82 1ujv n VAL 55 Ca 0.14 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.31 1ujv n VAL 55 Cb 0.39 -0.78 -0.12 0.00 -0.91 0.00 0.00 33.84 32.42 1ujv n VAL 55 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1ujv s GLU 56 N -1.97 0.67 -0.07 5.55 2.02 -1.03 -0.83 118.70 123.04 1ujv s GLU 56 Ca 0.00 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.18 1ujv s GLU 56 Cb 0.00 -0.56 0.02 0.00 0.10 0.00 0.00 34.13 33.69 1ujv s GLU 56 CO 0.00 0.12 -0.09 0.42 0.02 0.00 0.00 175.26 175.73 1ujv s ILE 57 N -1.26 0.92 -1.25 -1.63 1.01 -0.86 -1.51 121.20 116.62 1ujv s ILE 57 Ca -0.06 -0.32 -0.27 0.00 0.00 0.00 0.00 60.65 60.01 1ujv s ILE 57 Cb -0.10 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.51 1ujv s ILE 57 CO 0.01 0.32 0.61 0.59 0.00 0.00 0.00 174.94 176.47 1ujv n ASN 58 N 4.19 -3.57 0.00 3.58 3.02 0.17 -1.57 115.26 121.08 1ujv n ASN 58 Ca -0.20 -1.24 0.00 0.00 -0.03 0.00 0.00 54.58 53.11 1ujv n ASN 58 Cb 0.51 -2.03 0.00 0.00 -0.61 0.00 0.00 39.78 37.65 1ujv n ASN 58 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ujv n GLN 59 N -4.83 0.00 -2.57 3.52 6.02 -1.26 -4.94 117.38 113.32 1ujv n GLN 59 Ca -0.14 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.43 1ujv n GLN 59 Cb 0.59 -2.68 -0.03 0.00 1.02 0.00 0.00 30.24 29.14 1ujv n GLN 59 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1ujv s GLN 60 N 0.00 4.55 -0.09 -1.09 0.74 -0.61 -5.00 119.66 118.17 1ujv s GLN 60 Ca 0.00 1.62 -0.28 0.00 0.05 0.00 0.00 55.36 56.75 1ujv s GLN 60 Cb 0.00 -3.36 -0.02 0.00 1.10 0.00 0.00 33.01 30.73 1ujv s GLN 60 CO 0.00 -0.04 0.91 1.21 -0.55 0.00 0.00 175.29 176.83 1ujv s ASN 61 N 0.54 7.17 0.00 6.67 3.04 -1.26 -2.03 114.94 129.07 1ujv s ASN 61 Ca 0.53 1.43 0.00 0.00 0.04 0.00 0.00 52.86 54.85 1ujv s ASN 61 Cb -0.26 -2.51 0.00 0.00 -1.54 0.00 0.00 41.25 36.93 1ujv s ASN 61 CO 0.31 -0.34 0.81 1.33 -3.04 0.00 0.00 177.10 176.16 1ujv n VAL 62 N 4.31 0.65 0.12 -5.21 0.24 -0.01 -4.66 118.33 113.78 1ujv n VAL 62 Ca 0.06 -0.72 0.08 0.00 -2.04 0.00 0.00 64.34 61.72 1ujv n VAL 62 Cb 0.50 0.71 0.43 0.00 -1.47 0.00 0.00 33.84 34.01 1ujv n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ujv n GLN 63 N -0.33 0.10 -2.22 7.34 1.13 -1.20 -2.44 117.38 119.77 1ujv n GLN 63 Ca 0.00 0.60 -0.10 0.00 -1.94 0.00 0.00 57.00 55.56 1ujv n GLN 63 Cb 0.26 -1.85 0.05 0.00 0.11 0.00 0.00 30.24 28.80 1ujv n GLN 63 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1ujv n ASN 64 N -2.06 3.04 -4.33 1.08 4.13 -1.26 -4.92 115.26 110.94 1ujv n ASN 64 Ca -0.01 -2.93 -0.28 0.00 1.68 0.00 0.00 54.58 53.04 1ujv n ASN 64 Cb 0.04 -0.41 -0.14 0.00 -1.54 0.00 0.00 39.78 37.73 1ujv n ASN 64 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ujv s LEU 65 N -3.42 2.21 0.59 3.41 1.43 -1.02 -5.16 118.68 116.72 1ujv s LEU 65 Ca 0.39 -0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 52.73 1ujv s LEU 65 Cb 0.37 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 1ujv s LEU 65 CO -0.01 0.20 1.03 -0.44 0.23 0.00 0.00 176.35 177.36 1ujv s SER 66 N -1.44 6.00 0.56 2.29 0.01 -1.26 -4.86 113.70 114.99 1ujv s SER 66 Ca 0.11 1.68 0.33 0.00 1.31 0.00 0.00 55.95 59.38 1ujv s SER 66 Cb -0.10 -2.51 1.48 0.00 0.21 0.00 0.00 66.02 65.10 1ujv s SER 66 CO 0.03 -1.02 1.81 -0.74 0.41 0.00 0.00 173.24 173.73 1ujv h HIS 67 N 0.32 0.00 -0.01 2.43 2.76 -1.98 0.10 115.15 118.77 1ujv h HIS 67 Ca -0.46 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 57.55 1ujv h HIS 67 Cb 1.21 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.15 1ujv h HIS 67 CO 0.61 0.00 -0.74 1.15 -1.30 0.00 0.00 177.93 177.66 1ujv h THR 68 N 0.00 1.49 0.04 6.26 2.02 -1.99 -2.70 112.91 118.03 1ujv h THR 68 Ca 0.45 -2.41 -0.07 0.00 0.77 0.00 0.00 66.41 65.15 1ujv h THR 68 Cb 1.94 2.30 0.01 0.00 -1.74 0.00 0.00 68.15 70.65 1ujv h THR 68 CO -0.00 0.70 -0.29 -0.33 0.37 0.00 0.00 175.52 175.96 1ujv h GLU 69 N 0.06 0.13 -0.91 6.66 4.39 -1.15 -0.23 114.58 123.53 1ujv h GLU 69 Ca -0.02 -0.19 0.13 0.00 0.34 0.00 0.00 59.36 59.62 1ujv h GLU 69 Cb 1.30 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.94 1ujv h GLU 69 CO 0.10 1.04 0.58 -0.39 -1.16 0.00 0.00 179.01 179.19 1ujv h VAL 70 N -0.69 0.88 -0.16 3.13 -1.51 -1.67 0.19 116.25 116.42 1ujv h VAL 70 Ca -0.05 -0.27 -0.03 0.00 -1.23 0.00 0.00 66.70 65.12 1ujv h VAL 70 Cb 1.18 0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 30.36 1ujv h VAL 70 CO 0.06 0.14 -0.02 0.58 -1.23 0.00 0.00 177.57 177.09 1ujv h VAL 71 N 0.78 1.28 -0.63 7.19 2.07 -1.40 -2.86 116.25 122.67 1ujv h VAL 71 Ca 0.45 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1ujv h VAL 71 Cb 0.61 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1ujv h VAL 71 CO -0.21 0.28 0.29 -0.78 0.02 0.00 0.00 177.57 177.17 1ujv h ASP 72 N 0.02 0.84 0.20 0.57 3.58 0.19 0.82 116.42 122.63 1ujv h ASP 72 Ca 0.04 -0.14 0.01 0.00 0.42 0.00 0.00 57.03 57.36 1ujv h ASP 72 Cb 0.44 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 1ujv h ASP 72 CO 0.01 0.74 -0.46 0.40 -2.88 0.00 0.00 179.24 177.06 1ujv h ILE 73 N 0.87 0.10 -0.38 2.25 2.04 -0.78 0.55 117.51 122.17 1ujv h ILE 73 Ca 0.21 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.09 1ujv h ILE 73 Cb 0.14 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 1ujv h ILE 73 CO -0.02 0.00 0.26 -0.07 0.00 0.00 0.00 178.15 178.31 1ujv h LEU 74 N -0.74 0.39 -0.23 1.44 3.38 -1.16 -0.52 115.31 117.86 1ujv h LEU 74 Ca -0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ujv h LEU 74 Cb 0.73 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1ujv h LEU 74 CO -0.22 0.28 0.05 0.11 0.09 0.00 0.00 178.44 178.76 1ujv h LYS 75 N 0.46 0.37 0.00 1.13 1.57 -0.39 -3.18 116.57 116.53 1ujv h LYS 75 Ca 0.15 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1ujv h LYS 75 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1ujv h LYS 75 CO -0.03 0.48 -0.27 0.22 -0.57 0.00 0.00 179.45 179.28 1ujv h ASP 76 N 0.19 0.00 -2.31 0.86 3.58 0.61 -3.45 116.42 115.89 1ujv h ASP 76 Ca 0.07 0.00 -0.62 0.00 0.42 0.00 0.00 57.03 56.90 1ujv h ASP 76 Cb 0.28 0.00 0.09 0.00 1.72 0.00 0.00 39.33 41.42 1ujv h ASP 76 CO 0.00 0.27 0.34 0.00 -2.88 0.00 0.00 179.24 176.97 1ujv s PRO 78 N -0.70 2.55 0.19 0.00 0.05 -1.26 -5.02 135.00 130.81 1ujv s PRO 78 Ca 0.68 2.02 -0.09 0.00 0.05 0.00 0.00 61.00 63.66 1ujv s PRO 78 Cb -0.75 -1.85 -0.07 0.00 0.05 0.00 0.00 34.50 31.88 1ujv s PRO 78 CO 0.54 -1.59 0.50 0.42 0.05 0.00 0.00 177.00 176.92 1ujv s ILE 79 N -1.45 4.98 -0.66 0.56 1.01 -1.26 -3.77 121.20 120.60 1ujv s ILE 79 Ca 0.82 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.91 1ujv s ILE 79 Cb -0.36 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.47 1ujv s ILE 79 CO 0.39 0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1ujv n GLY 80 N 0.14 0.69 3.57 6.18 0.00 -0.66 -4.94 105.19 110.17 1ujv n GLY 80 Ca -0.02 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 1ujv n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujv s SER 81 N -2.31 4.82 0.38 1.61 0.15 -1.25 -4.93 113.70 112.17 1ujv s SER 81 Ca 0.00 -0.03 -0.28 0.00 0.70 0.00 0.00 55.95 56.34 1ujv s SER 81 Cb 0.00 -1.47 -0.10 0.00 -1.71 0.00 0.00 66.02 62.73 1ujv s SER 81 CO 0.00 0.29 1.44 -1.61 1.20 0.00 0.00 173.24 174.56 1ujv s GLU 82 N -0.36 4.08 -0.06 5.44 8.01 -1.26 -3.71 118.70 130.83 1ujv s GLU 82 Ca 0.06 2.48 -0.00 0.00 0.01 0.00 0.00 54.97 57.51 1ujv s GLU 82 Cb -0.12 -2.93 0.02 0.00 -4.31 0.00 0.00 34.13 26.79 1ujv s GLU 82 CO 0.02 -0.52 -0.02 0.99 0.01 0.00 0.00 175.26 175.74 1ujv s THR 83 N -1.14 0.50 -0.14 3.63 2.01 0.33 -4.98 115.64 115.85 1ujv s THR 83 Ca 0.53 -0.02 -0.19 0.00 0.31 0.00 0.00 61.69 62.33 1ujv s THR 83 Cb -0.45 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.44 1ujv s THR 83 CO 0.60 0.25 0.51 -0.44 -0.69 0.00 0.00 174.62 174.85 1ujv s SER 84 N 1.49 6.66 -0.11 3.53 0.01 -1.26 -0.99 113.70 123.02 1ujv s SER 84 Ca -0.02 0.79 0.02 0.00 1.31 0.00 0.00 55.95 58.05 1ujv s SER 84 Cb -0.13 -2.30 0.01 0.00 0.21 0.00 0.00 66.02 63.82 1ujv s SER 84 CO -0.03 -0.07 -0.16 -0.76 0.41 0.00 0.00 173.24 172.63 1ujv s LEU 85 N 1.00 1.74 -0.18 2.44 1.02 -0.39 -0.65 118.68 123.65 1ujv s LEU 85 Ca 0.26 -0.44 -0.06 0.00 0.02 0.00 0.00 54.13 53.90 1ujv s LEU 85 Cb -0.15 -1.12 -0.04 0.00 0.02 0.00 0.00 46.19 44.90 1ujv s LEU 85 CO 0.10 0.01 0.03 -0.63 0.02 0.00 0.00 176.35 175.89 1ujv s ILE 86 N 1.01 4.50 0.09 -0.59 1.01 -0.57 -0.55 121.20 126.11 1ujv s ILE 86 Ca -0.06 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.53 1ujv s ILE 86 Cb -0.15 -3.02 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 1ujv s ILE 86 CO -0.02 0.46 -0.18 0.27 0.00 0.00 0.00 174.94 175.47 1ujv s ILE 87 N 0.45 1.47 -0.51 2.92 -5.25 0.05 -0.92 121.20 119.41 1ujv s ILE 87 Ca 0.01 -1.47 -0.25 0.00 -0.99 0.00 0.00 60.65 57.95 1ujv s ILE 87 Cb -0.13 -1.38 0.03 0.00 2.95 0.00 0.00 42.46 43.94 1ujv s ILE 87 CO 0.01 -0.15 0.97 -2.28 -1.79 0.00 0.00 174.94 171.71 1ujv s HIS 88 N -1.28 2.82 -0.27 1.37 5.65 0.24 -0.59 115.29 123.24 1ujv s HIS 88 Ca 0.04 0.24 -0.24 0.00 0.25 0.00 0.00 55.06 55.34 1ujv s HIS 88 Cb -0.10 -4.10 0.07 0.00 -1.18 0.00 0.00 32.58 27.27 1ujv s HIS 88 CO 0.03 -1.27 0.71 0.50 -0.65 0.00 0.00 174.74 174.06 1ujv s ARG 89 N 4.02 0.82 0.00 2.88 3.52 -0.70 -4.35 118.95 125.14 1ujv s ARG 89 Ca 0.36 1.02 0.00 0.00 -0.13 0.00 0.00 55.73 56.97 1ujv s ARG 89 Cb -0.11 0.38 0.00 0.00 -1.56 0.00 0.00 34.95 33.66 1ujv s ARG 89 CO 0.24 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 175.03 1ujv n GLY 90 N 2.86 -0.55 2.93 8.12 0.00 -1.25 -3.46 105.19 113.84 1ujv n GLY 90 Ca -0.15 -0.99 -0.02 0.00 0.00 0.00 0.00 46.02 44.86 1ujv n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujv n SER 91 N 0.00 -7.40 -0.38 1.61 2.88 -1.26 -4.75 113.62 104.32 1ujv n SER 91 Ca 0.00 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1ujv n SER 91 Cb 0.00 -3.81 0.00 0.00 -0.75 0.00 0.00 64.21 59.65 1ujv n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujv n GLY 92 N 0.83 -0.12 0.07 0.46 0.00 -1.26 -4.21 105.19 100.96 1ujv n GLY 92 Ca 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 1ujv n GLY 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujv h PRO 93 N 0.00 0.00 -2.09 1.61 0.13 -2.05 -3.48 132.00 126.11 1ujv h PRO 93 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.17 1ujv h PRO 93 Cb 0.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 30.92 1ujv h PRO 93 CO 0.00 0.89 -0.16 -1.12 -0.23 0.00 0.00 178.00 177.38 1ujv s SER 94 N -6.63 -0.98 0.55 1.44 0.01 -1.26 -5.00 113.70 101.83 1ujv s SER 94 Ca 0.01 1.47 0.24 0.00 1.31 0.00 0.00 55.95 58.98 1ujv s SER 94 Cb 0.10 2.06 1.45 0.00 0.21 0.00 0.00 66.02 69.83 1ujv s SER 94 CO 0.81 -0.22 2.08 0.28 0.41 0.00 0.00 173.24 176.59 1ujv h SER 95 N 7.94 0.00 0.00 2.44 0.02 -1.89 -3.52 113.55 118.54 1ujv h SER 95 Ca -0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1ujv h SER 95 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1ujv h SER 95 CO 0.11 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.41