#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujv s SER 2 N 0.00 6.39 0.00 1.61 0.01 -1.26 -4.99 113.70 115.47 1ujv s SER 2 Ca 0.00 1.08 -0.14 0.00 1.31 0.00 0.00 55.95 58.20 1ujv s SER 2 Cb 0.00 -2.54 0.02 0.00 0.21 0.00 0.00 66.02 63.71 1ujv s SER 2 CO 0.00 -1.34 0.29 -0.44 0.41 0.00 0.00 173.24 172.17 1ujv s SER 3 N 3.85 -0.15 0.98 2.44 0.01 -1.26 -5.09 113.70 114.49 1ujv s SER 3 Ca 0.63 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.86 1ujv s SER 3 Cb -0.17 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1ujv s SER 3 CO 0.30 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 174.06 1ujv n GLY 4 N 1.07 0.98 2.52 3.44 0.00 -1.26 -4.46 105.19 107.48 1ujv n GLY 4 Ca -0.21 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 1ujv n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujv s SER 5 N -4.00 1.78 0.22 1.61 0.01 -1.26 -5.02 113.70 107.05 1ujv s SER 5 Ca 0.00 -2.32 0.00 0.00 1.31 0.00 0.00 55.95 54.94 1ujv s SER 5 Cb 0.00 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1ujv s SER 5 CO 0.00 -0.24 0.00 -1.20 0.41 0.00 0.00 173.24 172.21 1ujv n SER 6 N 3.63 -8.80 -2.69 2.44 7.64 -1.26 -5.09 113.62 109.49 1ujv n SER 6 Ca 0.18 1.33 -0.05 0.00 1.01 0.00 0.00 58.87 61.34 1ujv n SER 6 Cb 0.44 -4.94 0.08 0.00 -1.01 0.00 0.00 64.21 58.77 1ujv n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujv n GLY 7 N 1.71 -1.16 3.00 0.23 0.00 -1.26 -5.08 105.19 102.62 1ujv n GLY 7 Ca 0.00 0.73 -0.01 0.00 0.00 0.00 0.00 46.02 46.74 1ujv n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ujv s GLN 8 N 0.23 0.83 0.07 1.61 2.00 -1.26 -5.09 119.66 118.05 1ujv s GLN 8 Ca 0.26 -0.51 -0.26 0.00 -2.00 0.00 0.00 55.36 52.84 1ujv s GLN 8 Cb 0.23 0.04 0.08 0.00 0.80 0.00 0.00 33.01 34.17 1ujv s GLN 8 CO -0.14 -1.12 0.81 0.00 -0.50 0.00 0.00 175.29 174.34 1ujv s ALA 9 N 1.49 -1.71 -0.30 1.58 0.00 -1.26 -5.11 121.76 116.45 1ujv s ALA 9 Ca 0.21 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1ujv s ALA 9 Cb -0.01 0.60 0.09 0.00 0.00 0.00 0.00 23.12 23.79 1ujv s ALA 9 CO -0.07 -0.77 0.06 -1.21 0.00 0.00 0.00 175.76 173.77 1ujv s GLU 10 N -3.35 0.99 0.95 0.00 2.02 -1.26 -5.14 118.70 112.90 1ujv s GLU 10 Ca 0.05 -1.17 -0.14 0.00 0.02 0.00 0.00 54.97 53.73 1ujv s GLU 10 Cb -0.01 -2.33 0.21 0.00 0.10 0.00 0.00 34.13 32.10 1ujv s GLU 10 CO -0.08 -0.90 1.30 -0.51 0.02 0.00 0.00 175.26 175.09 1ujv s LEU 11 N 1.46 2.80 0.01 1.80 2.01 -1.26 -4.79 118.68 120.72 1ujv s LEU 11 Ca 0.07 0.02 -0.21 0.00 0.01 0.00 0.00 54.13 54.02 1ujv s LEU 11 Cb -0.18 -2.01 -0.06 0.00 0.01 0.00 0.00 46.19 43.96 1ujv s LEU 11 CO -0.18 -2.75 0.60 -0.04 1.01 0.00 0.00 176.35 174.99 1ujv s MET 12 N -5.82 4.31 -0.26 1.70 -1.94 -1.02 -4.92 119.30 111.35 1ujv s MET 12 Ca 0.75 0.76 -0.02 0.00 -1.71 0.00 0.00 55.69 55.47 1ujv s MET 12 Cb -0.02 -3.33 0.08 0.00 2.01 0.00 0.00 34.83 33.57 1ujv s MET 12 CO 0.52 0.41 0.08 0.99 -0.01 0.00 0.00 175.02 177.01 1ujv s THR 13 N -0.34 0.56 0.39 2.05 2.01 -1.26 -0.37 115.64 118.68 1ujv s THR 13 Ca 0.31 -0.96 0.08 0.00 0.31 0.00 0.00 61.69 61.43 1ujv s THR 13 Cb -0.19 -1.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 1ujv s THR 13 CO 0.18 -0.51 0.27 -0.76 -0.69 0.00 0.00 174.62 173.11 1ujv s LEU 14 N 1.80 3.33 0.02 4.42 2.01 -0.53 -4.94 118.68 124.79 1ujv s LEU 14 Ca 0.05 -0.80 0.06 0.00 0.01 0.00 0.00 54.13 53.46 1ujv s LEU 14 Cb -0.17 -1.87 -0.02 0.00 0.01 0.00 0.00 46.19 44.14 1ujv s LEU 14 CO -0.21 -0.52 -0.17 -0.89 1.01 0.00 0.00 176.35 175.57 1ujv s THR 15 N -2.47 1.39 0.30 5.49 2.01 -1.26 -1.00 115.64 120.10 1ujv s THR 15 Ca 0.43 -0.94 0.05 0.00 0.31 0.00 0.00 61.69 61.54 1ujv s THR 15 Cb -0.02 -1.20 -0.06 0.00 0.01 0.00 0.00 72.50 71.24 1ujv s THR 15 CO 0.25 0.24 0.01 0.27 -0.69 0.00 0.00 174.62 174.70 1ujv s ILE 16 N -0.63 1.32 0.08 1.82 -4.36 -0.54 -3.88 121.20 115.01 1ujv s ILE 16 Ca 0.06 -2.04 0.06 0.00 -0.26 0.00 0.00 60.65 58.47 1ujv s ILE 16 Cb -0.08 -2.64 -0.03 0.00 1.25 0.00 0.00 42.46 40.97 1ujv s ILE 16 CO 0.01 -0.14 -0.16 -0.69 0.24 0.00 0.00 174.94 174.20 1ujv s VAL 17 N -3.22 1.26 -0.41 8.37 1.01 0.32 -1.07 120.40 126.67 1ujv s VAL 17 Ca 0.33 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 1ujv s VAL 17 Cb 0.07 -1.19 0.11 0.00 0.00 0.00 0.00 36.38 35.37 1ujv s VAL 17 CO 0.14 -0.17 0.21 -0.75 0.00 0.00 0.00 175.10 174.52 1ujv s LYS 18 N -1.74 2.00 -0.64 2.72 2.20 -1.24 -4.63 119.74 118.41 1ujv s LYS 18 Ca 0.00 -1.84 -0.07 0.00 -0.36 0.00 0.00 55.97 53.71 1ujv s LYS 18 Cb -0.10 -3.58 -0.18 0.00 -1.51 0.00 0.00 37.83 32.46 1ujv s LYS 18 CO 0.03 -1.07 3.17 0.41 -0.36 0.00 0.00 175.35 177.52 1ujv n GLY 19 N 4.57 3.37 4.54 5.54 0.00 -1.26 -0.92 105.19 121.03 1ujv n GLY 19 Ca -0.02 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1ujv n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujv n ALA 20 N 3.02 0.00 0.88 4.61 0.00 -1.26 -4.51 120.51 123.25 1ujv n ALA 20 Ca 0.54 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.12 1ujv n ALA 20 Cb 0.58 0.00 0.54 0.00 0.00 0.00 0.00 19.45 20.58 1ujv n ALA 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ujv n GLN 21 N 0.00 0.08 0.00 0.00 1.13 -1.26 -4.90 117.38 112.43 1ujv n GLN 21 Ca 0.00 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1ujv n GLN 21 Cb 0.00 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 28.75 1ujv n GLN 21 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ujv n GLY 22 N 1.44 0.69 1.14 1.08 0.00 -1.26 -5.03 105.19 103.25 1ujv n GLY 22 Ca 0.07 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 -3.12 0.10 1.61 3.01 -1.26 -4.85 117.46 112.95 1ujv n PHE 23 Ca 0.00 1.69 -0.13 0.00 1.01 0.00 0.00 57.45 60.03 1ujv n PHE 23 Cb 0.00 -2.76 -0.08 0.00 -0.01 0.00 0.00 39.48 36.63 1ujv n PHE 23 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1ujv h GLY 24 N 0.13 -0.31 -2.55 1.37 0.00 -1.89 -3.46 103.07 96.36 1ujv h GLY 24 Ca 0.00 0.11 -0.56 0.00 0.00 0.00 0.00 47.33 46.88 1ujv h GLY 24 CO 0.00 -0.11 -0.28 1.97 0.00 0.00 0.00 176.54 178.12 1ujv n PHE 25 N -5.04 -0.44 -4.44 5.60 -1.74 -1.26 -4.30 117.46 105.84 1ujv n PHE 25 Ca -0.09 0.37 -0.30 0.00 -0.56 0.00 0.00 57.45 56.87 1ujv n PHE 25 Cb 0.26 -1.96 -0.12 0.00 1.52 0.00 0.00 39.48 39.18 1ujv n PHE 25 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1ujv s THR 26 N -1.87 2.71 0.16 1.97 -4.23 -0.06 -4.89 115.64 109.43 1ujv s THR 26 Ca 0.68 -1.45 0.07 0.00 -1.18 0.00 0.00 61.69 59.80 1ujv s THR 26 Cb -0.36 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 1ujv s THR 26 CO 0.56 0.17 0.00 0.27 -0.54 0.00 0.00 174.62 175.08 1ujv s ILE 27 N -1.06 3.79 0.12 2.99 -4.36 -1.26 -0.75 121.20 120.67 1ujv s ILE 27 Ca 0.16 -1.33 0.04 0.00 -0.26 0.00 0.00 60.65 59.26 1ujv s ILE 27 Cb -0.10 -2.89 -0.04 0.00 1.25 0.00 0.00 42.46 40.68 1ujv s ILE 27 CO 0.08 -0.07 -0.11 0.00 0.24 0.00 0.00 174.94 175.08 1ujv s ALA 28 N -1.65 1.29 0.24 2.27 0.00 0.16 -4.71 121.76 119.37 1ujv s ALA 28 Ca 0.27 -1.30 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 1ujv s ALA 28 Cb -0.10 0.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.95 1ujv s ALA 28 CO 0.19 -0.03 1.00 0.34 0.00 0.00 0.00 175.76 177.26 1ujv s ASP 29 N -2.67 7.49 0.29 0.00 -1.08 -1.26 -2.35 116.67 117.09 1ujv s ASP 29 Ca 0.10 2.06 0.02 0.00 -0.52 0.00 0.00 52.55 54.21 1ujv s ASP 29 Cb -0.02 -2.61 -0.03 0.00 -1.46 0.00 0.00 42.92 38.80 1ujv s ASP 29 CO 0.01 0.02 0.28 -0.94 0.52 0.00 0.00 175.17 175.06 1ujv s SER 30 N -0.96 1.00 0.43 -0.34 1.04 -1.25 -4.93 113.70 108.68 1ujv s SER 30 Ca 0.43 -1.56 0.23 0.00 0.48 0.00 0.00 55.95 55.53 1ujv s SER 30 Cb -0.28 0.52 0.53 0.00 0.10 0.00 0.00 66.02 66.89 1ujv s SER 30 CO 0.35 -1.04 1.67 1.55 0.98 0.00 0.00 173.24 176.75 1ujv h PRO 31 N 2.28 0.00 -0.01 4.02 0.13 -2.01 -3.39 132.00 133.02 1ujv h PRO 31 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1ujv h PRO 31 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ujv h PRO 31 CO 0.42 0.12 -0.34 0.25 -0.23 0.00 0.00 178.00 178.22 1ujv n THR 32 N -3.16 0.00 0.00 1.56 -2.24 -1.26 -5.07 114.28 104.11 1ujv n THR 32 Ca 0.03 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1ujv n THR 32 Cb 0.52 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 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 1.20 1.43 3.78 3.38 0.00 -1.26 -4.98 105.19 108.74 1ujv n GLY 33 Ca 0.08 -2.16 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.27 3.66 0.09 1.61 -1.52 -1.26 -3.90 119.66 117.06 1ujv s GLN 34 Ca 0.00 1.60 0.03 0.00 -1.95 0.00 0.00 55.36 55.05 1ujv s GLN 34 Cb 0.00 -2.21 -0.03 0.00 -0.22 0.00 0.00 33.01 30.55 1ujv s GLN 34 CO 0.00 -0.60 -0.10 1.03 -0.25 0.00 0.00 175.29 175.38 1ujv s ARG 35 N -3.00 0.80 -0.31 2.91 0.52 -0.99 -0.93 118.95 117.95 1ujv s ARG 35 Ca 0.67 -1.11 -0.27 0.00 -0.52 0.00 0.00 55.73 54.51 1ujv s ARG 35 Cb -0.24 -0.48 0.01 0.00 0.52 0.00 0.00 34.95 34.77 1ujv s ARG 35 CO 0.28 0.07 0.96 0.08 0.02 0.00 0.00 175.30 176.71 1ujv s VAL 36 N -2.35 4.63 0.03 3.52 1.01 -1.26 -0.67 120.40 125.31 1ujv s VAL 36 Ca 0.03 1.54 -0.29 0.00 0.00 0.00 0.00 61.98 63.26 1ujv s VAL 36 Cb -0.03 -4.31 -0.17 0.00 0.00 0.00 0.00 36.38 31.87 1ujv s VAL 36 CO -0.00 -0.37 1.26 0.50 0.00 0.00 0.00 175.10 176.49 1ujv h LYS 37 N 8.06 -0.93 -2.57 2.72 3.64 -1.22 0.04 116.57 126.31 1ujv h LYS 37 Ca -0.22 0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.13 1ujv h LYS 37 Cb 1.07 0.21 -0.22 0.00 -0.41 0.00 0.00 32.23 32.89 1ujv h LYS 37 CO 0.97 -0.60 -0.12 -1.14 -2.27 0.00 0.00 179.45 176.30 1ujv s GLN 38 N -5.06 0.68 -0.19 1.90 0.74 -1.18 -4.48 119.66 112.07 1ujv s GLN 38 Ca -0.16 0.38 -0.19 0.00 0.05 0.00 0.00 55.36 55.45 1ujv s GLN 38 Cb 0.02 0.32 -0.03 0.00 1.10 0.00 0.00 33.01 34.42 1ujv s GLN 38 CO 0.49 -0.14 0.53 0.42 -0.55 0.00 0.00 175.29 176.04 1ujv s ILE 39 N -0.40 5.10 -0.11 -2.34 1.01 -1.26 -0.88 121.20 122.32 1ujv s ILE 39 Ca -0.05 0.98 0.01 0.00 0.00 0.00 0.00 60.65 61.59 1ujv s ILE 39 Cb -0.03 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.59 1ujv s ILE 39 CO 0.03 0.18 0.38 0.18 0.00 0.00 0.00 174.94 175.71 1ujv n LEU 40 N 4.73 0.75 -3.57 2.97 4.77 -1.26 -4.81 117.00 120.58 1ujv n LEU 40 Ca -0.05 -0.84 -0.29 0.00 -0.03 0.00 0.00 56.01 54.80 1ujv n LEU 40 Cb 0.50 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.47 1ujv n LEU 40 CO 0.42 0.18 -0.30 -0.62 -1.33 0.00 0.00 177.39 175.75 1ujv s ASP 41 N -0.42 3.32 0.02 -1.43 2.15 -1.26 -4.81 116.67 114.24 1ujv s ASP 41 Ca 0.01 -2.21 -0.26 0.00 0.43 0.00 0.00 52.55 50.52 1ujv s ASP 41 Cb 0.01 -0.63 -0.16 0.00 -0.30 0.00 0.00 42.92 41.83 1ujv s ASP 41 CO 0.02 -0.31 1.29 0.40 -0.17 0.00 0.00 175.17 176.40 1ujv h ILE 42 N 5.32 0.56 0.00 4.11 2.04 -1.92 -3.12 117.51 124.51 1ujv h ILE 42 Ca 0.00 -0.45 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 1ujv h ILE 42 Cb 0.96 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1ujv h ILE 42 CO 0.36 0.08 -0.18 1.56 0.00 0.00 0.00 178.15 179.98 1ujv h GLN 43 N -0.81 0.00 0.00 2.37 4.20 -2.01 -1.36 115.11 117.49 1ujv h GLN 43 Ca -0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1ujv h GLN 43 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1ujv h GLN 43 CO 0.09 0.18 0.00 0.78 -0.67 0.00 0.00 178.83 179.20 1ujv h GLY 44 N 0.54 0.00 -5.99 3.46 0.00 -1.86 -3.36 103.07 95.87 1ujv h GLY 44 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1ujv h GLY 44 CO 0.02 0.00 -1.05 0.00 0.00 0.00 0.00 176.54 175.51 1ujv s PRO 46 N -1.77 3.98 0.00 0.00 0.04 -1.25 -2.59 135.00 133.42 1ujv s PRO 46 Ca 0.38 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.54 1ujv s PRO 46 Cb 0.22 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.69 1ujv s PRO 46 CO -0.09 -1.10 0.00 0.41 0.04 0.00 0.00 177.00 176.26 1ujv n GLY 47 N 4.50 1.38 3.75 0.56 0.00 -1.26 -4.40 105.19 109.71 1ujv n GLY 47 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1ujv n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ujv s LEU 48 N 0.00 3.45 0.23 0.99 0.20 -1.07 -4.99 118.68 117.49 1ujv s LEU 48 Ca 0.00 2.23 0.09 0.00 0.69 0.00 0.00 54.13 57.14 1ujv s LEU 48 Cb 0.00 -4.58 -0.05 0.00 -0.43 0.00 0.00 46.19 41.14 1ujv s LEU 48 CO 0.00 -1.83 -0.16 0.00 -0.29 0.00 0.00 176.35 174.07 1ujv s GLU 50 N -3.57 3.98 -1.58 0.00 2.02 -1.26 -3.70 118.70 114.59 1ujv s GLU 50 Ca 0.25 0.51 -0.11 0.00 0.02 0.00 0.00 54.97 55.63 1ujv s GLU 50 Cb -0.02 -2.85 0.09 0.00 0.10 0.00 0.00 34.13 31.45 1ujv s GLU 50 CO 0.09 0.43 0.67 0.41 0.02 0.00 0.00 175.26 176.88 1ujv n GLY 51 N 0.58 -0.37 0.27 -1.39 0.00 0.00 -4.98 105.19 99.31 1ujv n GLY 51 Ca -0.04 0.15 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 1ujv n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ujv n ASP 52 N -2.79 -1.53 -3.65 1.61 5.75 -1.24 -4.90 116.55 109.79 1ujv n ASP 52 Ca -0.07 -0.36 -0.16 0.00 -0.01 0.00 0.00 54.79 54.20 1ujv n ASP 52 Cb 0.57 -0.08 -0.14 0.00 -1.03 0.00 0.00 41.12 40.43 1ujv n ASP 52 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1ujv s LEU 53 N 0.00 -0.17 -0.13 -2.12 1.98 -1.26 -4.26 118.68 112.71 1ujv s LEU 53 Ca 0.06 0.38 -0.20 0.00 -2.89 0.00 0.00 54.13 51.48 1ujv s LEU 53 Cb -0.01 0.46 -0.03 0.00 0.66 0.00 0.00 46.19 47.26 1ujv s LEU 53 CO 0.04 -0.25 0.58 -0.63 -1.89 0.00 0.00 176.35 174.21 1ujv s ILE 54 N 2.35 5.10 0.00 6.68 1.01 -0.11 -1.59 121.20 134.64 1ujv s ILE 54 Ca 0.03 1.15 0.00 0.00 0.00 0.00 0.00 60.65 61.83 1ujv s ILE 54 Cb -0.12 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.43 1ujv s ILE 54 CO -0.07 0.23 0.00 0.52 0.00 0.00 0.00 174.94 175.62 1ujv n VAL 55 N 4.05 0.00 -4.18 2.92 0.31 -0.93 -4.22 118.33 116.28 1ujv n VAL 55 Ca -0.04 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.11 1ujv n VAL 55 Cb 0.51 -1.20 -0.16 0.00 -0.91 0.00 0.00 33.84 32.08 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 -1.98 0.72 -0.13 5.55 2.02 -1.15 -1.03 118.70 122.70 1ujv s GLU 56 Ca 0.00 -0.13 0.01 0.00 0.02 0.00 0.00 54.97 54.87 1ujv s GLU 56 Cb 0.00 -0.72 -0.01 0.00 0.10 0.00 0.00 34.13 33.50 1ujv s GLU 56 CO 0.00 -0.02 -0.16 0.42 0.02 0.00 0.00 175.26 175.52 1ujv s ILE 57 N 0.61 2.79 -1.45 -1.63 1.01 -1.26 -1.02 121.20 120.26 1ujv s ILE 57 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.82 1ujv s ILE 57 Cb -0.11 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.20 1ujv s ILE 57 CO 0.00 0.53 0.00 0.59 0.00 0.00 0.00 174.94 176.06 1ujv n ASN 58 N 3.59 -5.57 -3.47 3.58 3.02 -0.62 -0.87 115.26 114.92 1ujv n ASN 58 Ca -0.18 0.34 -0.18 0.00 -0.03 0.00 0.00 54.58 54.53 1ujv n ASN 58 Cb 0.53 -4.27 0.08 0.00 -0.61 0.00 0.00 39.78 35.51 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 -1.37 -6.19 -0.00 3.52 6.02 -1.26 -4.97 117.38 113.14 1ujv n GLN 59 Ca -0.14 0.81 0.02 0.00 -0.01 0.00 0.00 57.00 57.68 1ujv n GLN 59 Cb 0.60 -5.74 -0.03 0.00 1.02 0.00 0.00 30.24 26.10 1ujv n GLN 59 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1ujv n GLN 60 N -4.13 2.74 -1.75 -1.09 7.27 -0.05 -5.13 117.38 115.23 1ujv n GLN 60 Ca -0.29 -0.02 0.00 0.00 0.07 0.00 0.00 57.00 56.77 1ujv n GLN 60 Cb 0.67 -0.90 0.00 0.00 2.41 0.00 0.00 30.24 32.42 1ujv n GLN 60 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1ujv n ASN 61 N -1.38 -7.23 0.00 1.69 4.05 -1.26 -5.00 115.26 106.13 1ujv n ASN 61 Ca -0.00 1.22 0.00 0.00 0.45 0.00 0.00 54.58 56.25 1ujv n ASN 61 Cb 0.08 -4.38 0.00 0.00 1.23 0.00 0.00 39.78 36.71 1ujv n ASN 61 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1ujv n VAL 62 N 0.08 0.06 0.30 3.44 0.24 -0.20 -4.85 118.33 117.41 1ujv n VAL 62 Ca 0.00 -0.07 0.17 0.00 -2.04 0.00 0.00 64.34 62.40 1ujv n VAL 62 Cb 0.00 1.21 0.84 0.00 -1.47 0.00 0.00 33.84 34.42 1ujv n VAL 62 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1ujv h GLN 63 N 0.00 0.00 0.00 7.34 4.20 -1.70 -3.00 115.11 121.94 1ujv h GLN 63 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1ujv h GLN 63 Cb 0.82 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1ujv h GLN 63 CO 0.00 0.00 -1.52 0.09 -0.67 0.00 0.00 178.83 176.73 1ujv n ASN 64 N -2.80 2.59 -4.77 1.46 3.02 -1.26 -4.48 115.26 109.01 1ujv n ASN 64 Ca -0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.13 1ujv n ASN 64 Cb 0.16 1.34 -0.01 0.00 -0.61 0.00 0.00 39.78 40.66 1ujv n ASN 64 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ujv s LEU 65 N -3.91 4.35 0.79 3.41 1.43 -1.14 -5.00 118.68 118.61 1ujv s LEU 65 Ca -0.04 2.94 -0.12 0.00 -1.03 0.00 0.00 54.13 55.88 1ujv s LEU 65 Cb 0.06 -3.66 0.07 0.00 0.03 0.00 0.00 46.19 42.69 1ujv s LEU 65 CO 0.43 -0.79 1.13 -0.44 0.23 0.00 0.00 176.35 176.92 1ujv s SER 66 N -0.16 4.04 0.15 2.29 0.01 -1.26 -4.75 113.70 114.02 1ujv s SER 66 Ca 0.53 2.06 -0.24 0.00 1.31 0.00 0.00 55.95 59.61 1ujv s SER 66 Cb -0.45 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.25 1ujv s SER 66 CO 0.59 -2.35 1.62 -0.74 0.41 0.00 0.00 173.24 172.76 1ujv h HIS 67 N -1.04 -0.78 0.00 2.43 2.76 -1.98 -0.71 115.15 115.83 1ujv h HIS 67 Ca -0.45 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.77 1ujv h HIS 67 Cb 1.26 0.38 0.00 0.00 1.55 0.00 0.00 27.41 30.60 1ujv h HIS 67 CO 0.53 -0.36 0.00 1.15 -1.30 0.00 0.00 177.93 177.95 1ujv h THR 68 N -0.30 0.00 0.11 6.26 2.02 -1.98 0.18 112.91 119.20 1ujv h THR 68 Ca 0.13 -0.16 -0.33 0.00 0.77 0.00 0.00 66.41 66.83 1ujv h THR 68 Cb 0.51 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 1ujv h THR 68 CO -0.42 0.00 -1.75 -0.33 0.37 0.00 0.00 175.52 173.39 1ujv h GLU 69 N 0.00 0.24 -0.07 6.66 4.39 -1.51 -3.03 114.58 121.26 1ujv h GLU 69 Ca 0.00 -0.40 -0.16 0.00 0.34 0.00 0.00 59.36 59.14 1ujv h GLU 69 Cb 0.18 0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1ujv h GLU 69 CO 0.00 1.07 -0.57 0.28 -1.16 0.00 0.00 179.01 178.64 1ujv h VAL 70 N 0.06 1.38 -0.79 3.13 2.07 -0.64 -2.43 116.25 119.03 1ujv h VAL 70 Ca -0.33 -1.92 0.15 0.00 0.82 0.00 0.00 66.70 65.42 1ujv h VAL 70 Cb 2.04 2.31 -0.10 0.00 -1.52 0.00 0.00 31.29 34.02 1ujv h VAL 70 CO 0.13 0.57 0.35 0.58 0.02 0.00 0.00 177.57 179.22 1ujv h VAL 71 N 0.08 0.67 -0.49 2.57 2.07 -1.15 -1.47 116.25 118.54 1ujv h VAL 71 Ca -0.05 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1ujv h VAL 71 Cb 1.23 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1ujv h VAL 71 CO 0.12 0.09 0.09 0.44 0.02 0.00 0.00 177.57 178.33 1ujv h ASP 72 N 0.50 0.76 -0.55 0.57 3.32 -1.36 -0.23 116.42 119.42 1ujv h ASP 72 Ca 0.44 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1ujv h ASP 72 Cb 0.65 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1ujv h ASP 72 CO -0.40 0.82 0.35 0.40 -1.72 0.00 0.00 179.24 178.70 1ujv h ILE 73 N 0.67 1.15 -0.09 0.35 2.04 -1.10 -1.44 117.51 119.10 1ujv h ILE 73 Ca 0.15 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 1ujv h ILE 73 Cb 0.38 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1ujv h ILE 73 CO 0.01 0.15 -0.22 -0.07 0.00 0.00 0.00 178.15 178.02 1ujv h LEU 74 N 0.75 0.14 -0.57 1.44 3.38 -0.64 -0.06 115.31 119.76 1ujv h LEU 74 Ca 0.20 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 1ujv h LEU 74 Cb -0.05 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1ujv h LEU 74 CO -0.04 0.37 0.27 0.11 0.09 0.00 0.00 178.44 179.24 1ujv h LYS 75 N 0.13 0.82 -0.27 1.13 1.57 -0.59 -3.17 116.57 116.18 1ujv h LYS 75 Ca 0.02 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1ujv h LYS 75 Cb 0.47 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1ujv h LYS 75 CO 0.03 0.67 0.14 0.22 -0.57 0.00 0.00 179.45 179.94 1ujv h ASP 76 N 0.77 0.32 -2.96 0.86 3.58 0.00 -3.44 116.42 115.55 1ujv h ASP 76 Ca 0.19 -0.02 -0.58 0.00 0.42 0.00 0.00 57.03 57.05 1ujv h ASP 76 Cb 0.12 -0.08 0.11 0.00 1.72 0.00 0.00 39.33 41.19 1ujv h ASP 76 CO -0.02 0.27 0.40 0.00 -2.88 0.00 0.00 179.24 177.00 1ujv s PRO 78 N -1.59 4.22 0.58 0.00 0.04 -1.26 -4.97 135.00 132.00 1ujv s PRO 78 Ca 0.58 2.11 -0.20 0.00 0.04 0.00 0.00 61.00 63.53 1ujv s PRO 78 Cb -0.62 -3.78 -0.04 0.00 0.04 0.00 0.00 34.50 30.09 1ujv s PRO 78 CO 0.60 -0.74 1.32 0.42 0.04 0.00 0.00 177.00 178.64 1ujv s ILE 79 N 3.29 2.13 0.00 0.56 1.01 -1.26 -2.73 121.20 124.20 1ujv s ILE 79 Ca 0.69 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.43 1ujv s ILE 79 Cb -0.33 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.10 1ujv s ILE 79 CO 0.28 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1ujv n GLY 80 N 0.75 0.01 3.65 6.18 0.00 -0.10 -4.93 105.19 110.76 1ujv n GLY 80 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1ujv n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujv s SER 81 N -2.00 3.78 0.45 1.61 0.01 -1.11 -4.85 113.70 111.59 1ujv s SER 81 Ca 0.00 -1.49 -0.16 0.00 1.31 0.00 0.00 55.95 55.61 1ujv s SER 81 Cb 0.00 0.02 -0.08 0.00 0.21 0.00 0.00 66.02 66.17 1ujv s SER 81 CO 0.00 -0.64 0.89 -1.61 0.41 0.00 0.00 173.24 172.29 1ujv s GLU 82 N -3.79 3.96 -0.01 12.44 8.01 -1.26 -3.63 118.70 134.42 1ujv s GLU 82 Ca 0.24 0.82 -0.03 0.00 0.01 0.00 0.00 54.97 56.01 1ujv s GLU 82 Cb 0.06 -2.25 0.00 0.00 -4.31 0.00 0.00 34.13 27.64 1ujv s GLU 82 CO 0.12 -0.12 0.07 0.99 0.01 0.00 0.00 175.26 176.33 1ujv s THR 83 N -2.40 0.04 -0.35 3.63 2.01 -0.23 -4.78 115.64 113.56 1ujv s THR 83 Ca 0.57 -0.35 -0.05 0.00 0.31 0.00 0.00 61.69 62.17 1ujv s THR 83 Cb -0.10 -0.22 0.06 0.00 0.01 0.00 0.00 72.50 72.25 1ujv s THR 83 CO 0.26 -0.19 0.12 -0.44 -0.69 0.00 0.00 174.62 173.68 1ujv s SER 84 N -0.60 5.25 -0.21 3.53 0.01 -1.26 -1.47 113.70 118.95 1ujv s SER 84 Ca -0.07 -1.37 0.01 0.00 1.31 0.00 0.00 55.95 55.83 1ujv s SER 84 Cb -0.04 -1.84 0.05 0.00 0.21 0.00 0.00 66.02 64.40 1ujv s SER 84 CO 0.00 -0.38 -0.08 -0.76 0.41 0.00 0.00 173.24 172.44 1ujv s LEU 85 N 1.33 2.37 -0.07 2.44 1.02 -0.17 -1.58 118.68 124.01 1ujv s LEU 85 Ca -0.00 -1.00 -0.23 0.00 0.02 0.00 0.00 54.13 52.92 1ujv s LEU 85 Cb -0.21 -1.18 -0.04 0.00 0.02 0.00 0.00 46.19 44.78 1ujv s LEU 85 CO 0.01 -0.19 0.67 -0.63 0.02 0.00 0.00 176.35 176.23 1ujv s ILE 86 N 1.41 5.06 0.05 -0.59 1.01 -0.19 -1.45 121.20 126.51 1ujv s ILE 86 Ca -0.03 1.38 0.03 0.00 0.00 0.00 0.00 60.65 62.03 1ujv s ILE 86 Cb -0.17 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 1ujv s ILE 86 CO -0.07 0.26 -0.10 0.27 0.00 0.00 0.00 174.94 175.30 1ujv s ILE 87 N 0.75 0.73 -1.29 2.92 -5.25 0.49 -2.20 121.20 117.36 1ujv s ILE 87 Ca 0.36 -1.17 -0.18 0.00 -0.99 0.00 0.00 60.65 58.67 1ujv s ILE 87 Cb -0.17 -0.78 0.03 0.00 2.95 0.00 0.00 42.46 44.49 1ujv s ILE 87 CO 0.17 -0.34 1.88 1.57 -1.79 0.00 0.00 174.94 176.43 1ujv n HIS 88 N 1.37 4.02 -3.87 1.37 -0.00 -0.62 -2.42 115.22 115.07 1ujv n HIS 88 Ca -0.22 -2.63 -0.10 0.00 -0.00 0.00 0.00 57.72 54.77 1ujv n HIS 88 Cb 0.55 -2.57 -0.01 0.00 -0.00 0.00 0.00 29.99 27.95 1ujv n HIS 88 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1ujv n ARG 89 N 7.82 0.68 -3.88 1.57 0.63 -1.26 -4.71 116.66 117.50 1ujv n ARG 89 Ca 0.49 -2.13 -0.04 0.00 -0.92 0.00 0.00 57.85 55.25 1ujv n ARG 89 Cb 0.44 2.21 0.02 0.00 0.45 0.00 0.00 32.46 35.59 1ujv n ARG 89 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1ujv s GLY 90 N -2.74 0.19 0.84 5.14 0.00 -1.26 -2.66 107.32 106.83 1ujv s GLY 90 Ca 0.20 -0.45 -0.14 0.00 0.00 0.00 0.00 44.72 44.33 1ujv s GLY 90 CO 0.15 2.22 0.67 1.44 0.00 0.00 0.00 173.10 177.57 1ujv n SER 91 N -1.33 -0.94 -2.70 1.64 7.64 -1.26 -5.04 113.62 111.65 1ujv n SER 91 Ca -0.03 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1ujv n SER 91 Cb 0.59 -1.29 0.01 0.00 -1.01 0.00 0.00 64.21 62.51 1ujv n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujv n GLY 92 N 1.28 0.59 0.11 0.23 0.00 -1.26 -5.07 105.19 101.07 1ujv n GLY 92 Ca 0.10 -1.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.15 0.00 1.61 0.13 -2.04 -3.51 132.00 128.05 1ujv h PRO 93 Ca -0.16 0.01 0.26 0.00 -0.87 0.00 0.00 66.00 65.24 1ujv h PRO 93 Cb 0.78 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.88 1ujv h PRO 93 CO 0.22 0.33 -0.34 0.43 -0.23 0.00 0.00 178.00 178.42 1ujv n SER 94 N -4.90 -6.35 -3.69 1.44 7.64 -1.26 -4.98 113.62 101.53 1ujv n SER 94 Ca -0.08 1.01 -0.22 0.00 1.01 0.00 0.00 58.87 60.59 1ujv n SER 94 Cb 0.28 -2.85 0.04 0.00 -1.01 0.00 0.00 64.21 60.67 1ujv n SER 94 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ujv n SER 95 N -3.29 -2.14 0.00 6.43 7.64 -1.26 -5.34 113.62 115.66 1ujv n SER 95 Ca 0.01 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.12 1ujv n SER 95 Cb 0.43 -4.25 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 1ujv n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64