#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 -0.27 0.30 1.61 1.04 -1.26 -5.20 113.70 109.93 1ujv s SER 2 Ca 0.00 -0.09 0.06 0.00 0.48 0.00 0.00 55.95 56.40 1ujv s SER 2 Cb 0.00 0.35 -0.06 0.00 0.10 0.00 0.00 66.02 66.41 1ujv s SER 2 CO 0.00 -0.60 -0.03 -0.44 0.98 0.00 0.00 173.24 173.15 1ujv s SER 3 N -2.56 2.86 1.02 7.02 0.01 -1.26 -5.14 113.70 115.65 1ujv s SER 3 Ca 0.08 -1.24 -0.12 0.00 1.31 0.00 0.00 55.95 55.98 1ujv s SER 3 Cb -0.01 -0.19 0.20 0.00 0.21 0.00 0.00 66.02 66.24 1ujv s SER 3 CO -0.06 -0.39 1.08 -0.83 0.41 0.00 0.00 173.24 173.45 1ujv s GLY 4 N -3.49 1.59 -0.04 3.44 0.00 -1.26 -5.09 107.32 102.46 1ujv s GLY 4 Ca 0.32 -0.07 -0.18 0.00 0.00 0.00 0.00 44.72 44.78 1ujv s GLY 4 CO 0.13 0.52 0.39 -0.45 0.00 0.00 0.00 173.10 173.70 1ujv s SER 5 N -3.01 -0.31 -0.04 1.64 0.15 -1.26 -5.04 113.70 105.83 1ujv s SER 5 Ca 0.66 0.31 0.11 0.00 0.70 0.00 0.00 55.95 57.74 1ujv s SER 5 Cb -0.21 0.44 0.32 0.00 -1.71 0.00 0.00 66.02 64.86 1ujv s SER 5 CO 0.60 -0.43 1.26 -1.20 1.20 0.00 0.00 173.24 174.67 1ujv n SER 6 N 1.44 3.02 0.00 5.45 7.64 -1.26 -5.06 113.62 124.85 1ujv n SER 6 Ca -0.20 -2.22 0.00 0.00 1.01 0.00 0.00 58.87 57.46 1ujv n SER 6 Cb 0.56 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 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 0.19 1.75 1.45 0.23 0.00 -1.26 -4.99 105.19 102.56 1ujv n GLY 7 Ca 0.13 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1ujv n GLY 7 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ujv n GLN 8 N 1.99 -4.12 -3.78 1.61 0.00 -1.26 -5.13 117.38 106.69 1ujv n GLN 8 Ca 0.00 3.03 -0.15 0.00 -0.00 0.00 0.00 57.00 59.89 1ujv n GLN 8 Cb 0.00 -3.39 -0.05 0.00 0.00 0.00 0.00 30.24 26.80 1ujv n GLN 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ujv n ALA 9 N -0.48 0.19 -3.84 1.69 0.00 -1.26 -5.14 120.51 111.66 1ujv n ALA 9 Ca 0.00 -1.54 -0.34 0.00 0.00 0.00 0.00 53.44 51.56 1ujv n ALA 9 Cb 0.00 1.24 -0.14 0.00 0.00 0.00 0.00 19.45 20.56 1ujv n ALA 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ujv s GLU 10 N -2.94 2.04 0.58 0.00 2.12 -1.26 -5.11 118.70 114.13 1ujv s GLU 10 Ca 0.30 -1.59 -0.15 0.00 0.36 0.00 0.00 54.97 53.89 1ujv s GLU 10 Cb 0.00 -3.25 -0.05 0.00 0.26 0.00 0.00 34.13 31.09 1ujv s GLU 10 CO 0.21 -0.82 1.03 -0.51 -0.54 0.00 0.00 175.26 174.63 1ujv s LEU 11 N 1.11 3.48 0.22 2.70 2.01 -1.26 -4.63 118.68 122.30 1ujv s LEU 11 Ca 0.02 1.66 -0.17 0.00 0.01 0.00 0.00 54.13 55.66 1ujv s LEU 11 Cb -0.20 -4.51 -0.08 0.00 0.01 0.00 0.00 46.19 41.40 1ujv s LEU 11 CO -0.04 -0.95 0.66 -0.04 1.01 0.00 0.00 176.35 176.99 1ujv s MET 12 N -4.29 4.11 -0.02 1.70 -1.94 -1.24 -4.99 119.30 112.62 1ujv s MET 12 Ca 0.60 0.69 0.06 0.00 -1.71 0.00 0.00 55.69 55.34 1ujv s MET 12 Cb -0.13 -2.81 -0.01 0.00 2.01 0.00 0.00 34.83 33.88 1ujv s MET 12 CO 0.39 0.38 -0.21 0.99 -0.01 0.00 0.00 175.02 176.55 1ujv s THR 13 N -1.59 1.70 0.18 2.05 2.01 -1.26 -2.13 115.64 116.59 1ujv s THR 13 Ca 0.43 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 1ujv s THR 13 Cb -0.15 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 70.92 1ujv s THR 13 CO 0.20 0.48 0.18 -0.76 -0.69 0.00 0.00 174.62 174.03 1ujv s LEU 14 N -0.42 1.19 0.13 4.42 1.43 -0.02 -5.00 118.68 120.39 1ujv s LEU 14 Ca 0.06 -1.19 0.06 0.00 -1.03 0.00 0.00 54.13 52.03 1ujv s LEU 14 Cb -0.09 0.67 -0.04 0.00 0.03 0.00 0.00 46.19 46.77 1ujv s LEU 14 CO -0.00 -0.86 -0.14 -0.89 0.23 0.00 0.00 176.35 174.69 1ujv s THR 15 N -4.08 1.38 0.17 5.49 2.01 -1.26 -0.94 115.64 118.40 1ujv s THR 15 Ca 0.29 -1.73 -0.07 0.00 0.31 0.00 0.00 61.69 60.49 1ujv s THR 15 Cb 0.06 -1.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.99 1ujv s THR 15 CO 0.07 -0.40 0.24 0.27 -0.69 0.00 0.00 174.62 174.10 1ujv s ILE 16 N -2.12 0.06 0.03 1.82 -4.36 -0.62 -4.31 121.20 111.71 1ujv s ILE 16 Ca 0.09 -1.55 0.08 0.00 -0.26 0.00 0.00 60.65 59.01 1ujv s ILE 16 Cb -0.05 -1.97 -0.02 0.00 1.25 0.00 0.00 42.46 41.66 1ujv s ILE 16 CO 0.03 -0.28 -0.23 -0.69 0.24 0.00 0.00 174.94 174.01 1ujv s VAL 17 N -4.01 1.83 0.19 8.37 1.01 -1.25 -0.25 120.40 126.29 1ujv s VAL 17 Ca 0.21 -1.18 -0.15 0.00 0.00 0.00 0.00 61.98 60.85 1ujv s VAL 17 Cb 0.04 -1.56 -0.07 0.00 0.00 0.00 0.00 36.38 34.79 1ujv s VAL 17 CO 0.02 0.33 0.62 -0.75 0.00 0.00 0.00 175.10 175.32 1ujv s LYS 18 N -1.01 4.04 -0.64 2.72 2.20 -1.15 -4.86 119.74 121.05 1ujv s LYS 18 Ca 0.09 0.60 0.05 0.00 -0.36 0.00 0.00 55.97 56.34 1ujv s LYS 18 Cb -0.09 -2.85 0.16 0.00 -1.51 0.00 0.00 37.83 33.54 1ujv s LYS 18 CO 0.01 0.41 0.42 0.20 -0.36 0.00 0.00 175.35 176.04 1ujv s GLY 19 N -1.80 2.70 0.00 5.54 0.00 -0.35 -1.70 107.32 111.71 1ujv s GLY 19 Ca 0.41 -3.60 0.00 0.00 0.00 0.00 0.00 44.72 41.53 1ujv s GLY 19 CO 0.20 1.13 0.00 0.00 0.00 0.00 0.00 173.10 174.43 1ujv n ALA 20 N 2.33 0.00 0.23 3.20 0.00 -1.26 -2.01 120.51 123.00 1ujv n ALA 20 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.73 1ujv n ALA 20 Cb 0.35 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.43 1ujv n ALA 20 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1ujv h GLN 21 N 0.00 0.00 0.00 0.00 4.20 -2.05 -3.48 115.11 113.79 1ujv h GLN 21 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ujv h GLN 21 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1ujv h GLN 21 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 1ujv n GLY 22 N -0.99 0.21 3.76 3.46 0.00 -0.85 -5.08 105.19 105.71 1ujv n GLY 22 Ca -0.01 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 1ujv n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ujv s PHE 23 N -2.61 2.68 0.06 1.61 0.40 -1.26 -1.22 117.98 117.65 1ujv s PHE 23 Ca 0.00 1.47 -0.26 0.00 -0.60 0.00 0.00 56.93 57.55 1ujv s PHE 23 Cb 0.00 -3.55 -0.17 0.00 0.51 0.00 0.00 43.02 39.82 1ujv s PHE 23 CO 0.00 -2.02 1.59 0.78 0.70 0.00 0.00 175.22 176.27 1ujv h GLY 24 N 1.92 -0.23 -1.19 4.36 0.00 -1.89 -3.44 103.07 102.60 1ujv h GLY 24 Ca -0.50 0.09 -0.48 0.00 0.00 0.00 0.00 47.33 46.43 1ujv h GLY 24 CO 0.59 -0.08 0.15 -0.11 0.00 0.00 0.00 176.54 177.09 1ujv s PHE 25 N -5.70 1.60 0.23 5.60 -0.71 -1.26 -4.46 117.98 113.28 1ujv s PHE 25 Ca -0.14 1.51 0.11 0.00 -1.04 0.00 0.00 56.93 57.36 1ujv s PHE 25 Cb 0.04 -3.22 -0.04 0.00 -1.21 0.00 0.00 43.02 38.59 1ujv s PHE 25 CO 0.64 -3.16 -0.15 0.95 -1.34 0.00 0.00 175.22 172.16 1ujv s THR 26 N -2.61 2.79 0.25 -4.49 -4.23 -0.46 -4.90 115.64 101.99 1ujv s THR 26 Ca 0.67 -2.02 0.11 0.00 -1.18 0.00 0.00 61.69 59.27 1ujv s THR 26 Cb -0.23 -2.41 -0.05 0.00 1.34 0.00 0.00 72.50 71.15 1ujv s THR 26 CO 0.60 -0.23 -0.16 0.27 -0.54 0.00 0.00 174.62 174.56 1ujv s ILE 27 N -2.02 2.72 0.23 2.99 -4.36 -1.26 -0.70 121.20 118.81 1ujv s ILE 27 Ca 0.26 -2.16 0.06 0.00 -0.26 0.00 0.00 60.65 58.55 1ujv s ILE 27 Cb -0.07 -2.40 -0.05 0.00 1.25 0.00 0.00 42.46 41.18 1ujv s ILE 27 CO 0.14 -0.31 -0.07 0.00 0.24 0.00 0.00 174.94 174.94 1ujv s ALA 28 N -2.23 2.00 0.46 2.27 0.00 0.10 -4.58 121.76 119.77 1ujv s ALA 28 Ca 0.28 -1.75 -0.22 0.00 0.00 0.00 0.00 51.96 50.27 1ujv s ALA 28 Cb -0.06 0.17 -0.08 0.00 0.00 0.00 0.00 23.12 23.16 1ujv s ALA 28 CO 0.15 -0.09 1.11 0.34 0.00 0.00 0.00 175.76 177.28 1ujv s ASP 29 N -3.34 6.30 0.08 0.00 2.15 -1.26 -1.15 116.67 119.45 1ujv s ASP 29 Ca 0.26 2.17 -0.01 0.00 0.43 0.00 0.00 52.55 55.40 1ujv s ASP 29 Cb 0.03 -2.59 -0.04 0.00 -0.30 0.00 0.00 42.92 40.02 1ujv s ASP 29 CO 0.08 -0.82 -0.00 -0.94 -0.17 0.00 0.00 175.17 173.32 1ujv s SER 30 N -1.54 0.47 0.25 -0.34 1.04 -0.81 -4.77 113.70 108.00 1ujv s SER 30 Ca 0.64 -1.07 -0.04 0.00 0.48 0.00 0.00 55.95 55.95 1ujv s SER 30 Cb -0.25 0.23 0.42 0.00 0.10 0.00 0.00 66.02 66.52 1ujv s SER 30 CO 0.30 -0.64 1.79 1.55 0.98 0.00 0.00 173.24 177.23 1ujv h PRO 31 N 3.04 0.70 0.00 4.02 0.13 -1.99 -1.25 132.00 136.64 1ujv h PRO 31 Ca -0.34 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.69 1ujv h PRO 31 Cb 1.16 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1ujv h PRO 31 CO 0.64 0.46 -0.26 1.79 -0.23 0.00 0.00 178.00 180.40 1ujv h THR 32 N 0.72 0.57 0.00 1.56 1.35 -2.01 -3.49 112.91 111.61 1ujv h THR 32 Ca 0.41 -1.29 0.00 0.00 -0.55 0.00 0.00 66.41 64.98 1ujv h THR 32 Cb 0.44 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1ujv h THR 32 CO -0.28 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 175.85 1ujv n GLY 33 N 0.37 0.17 3.76 5.82 0.00 -0.47 -5.03 105.19 109.81 1ujv n GLY 33 Ca 0.01 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.63 3.35 0.13 1.61 1.11 -1.26 -1.92 119.66 121.05 1ujv s GLN 34 Ca 0.00 2.18 0.03 0.00 0.01 0.00 0.00 55.36 57.57 1ujv s GLN 34 Cb 0.00 -2.36 -0.04 0.00 -1.01 0.00 0.00 33.01 29.60 1ujv s GLN 34 CO 0.00 -1.00 -0.06 1.03 0.01 0.00 0.00 175.29 175.27 1ujv s ARG 35 N -2.78 0.98 -0.51 2.91 0.52 -0.30 -1.57 118.95 118.20 1ujv s ARG 35 Ca 0.68 -1.42 -0.28 0.00 -0.52 0.00 0.00 55.73 54.18 1ujv s ARG 35 Cb -0.39 -0.36 0.02 0.00 0.52 0.00 0.00 34.95 34.74 1ujv s ARG 35 CO 0.47 -0.02 1.35 0.08 0.02 0.00 0.00 175.30 177.20 1ujv s VAL 36 N -3.53 3.90 0.07 3.52 1.01 -0.11 -0.72 120.40 124.54 1ujv s VAL 36 Ca 0.16 0.84 -0.35 0.00 0.00 0.00 0.00 61.98 62.63 1ujv s VAL 36 Cb 0.05 -4.43 -0.19 0.00 0.00 0.00 0.00 36.38 31.80 1ujv s VAL 36 CO -0.01 -1.05 1.60 0.50 0.00 0.00 0.00 175.10 176.14 1ujv h LYS 37 N 10.55 -1.05 -2.80 2.72 1.63 -1.16 0.12 116.57 126.57 1ujv h LYS 37 Ca -0.26 0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 59.50 1ujv h LYS 37 Cb 1.09 0.24 -0.21 0.00 -0.60 0.00 0.00 32.23 32.75 1ujv h LYS 37 CO 1.15 -0.70 -0.19 -1.14 -3.45 0.00 0.00 179.45 175.12 1ujv s GLN 38 N -6.02 0.70 -0.71 1.90 0.74 -1.24 -4.55 119.66 110.48 1ujv s GLN 38 Ca -0.19 0.03 -0.20 0.00 0.05 0.00 0.00 55.36 55.05 1ujv s GLN 38 Cb 0.03 0.32 0.10 0.00 1.10 0.00 0.00 33.01 34.56 1ujv s GLN 38 CO 0.61 -0.18 0.91 0.42 -0.55 0.00 0.00 175.29 176.49 1ujv s ILE 39 N -1.02 4.65 0.15 -2.34 1.01 -1.26 -1.35 121.20 121.03 1ujv s ILE 39 Ca -0.11 -0.96 0.18 0.00 0.00 0.00 0.00 60.65 59.76 1ujv s ILE 39 Cb -0.04 -4.63 0.12 0.00 0.01 0.00 0.00 42.46 37.92 1ujv s ILE 39 CO 0.05 -1.34 1.71 -0.07 0.00 0.00 0.00 174.94 175.28 1ujv h LEU 40 N 10.50 0.00 -6.60 2.97 -0.00 -1.91 -3.43 115.31 116.84 1ujv h LEU 40 Ca -0.17 0.00 -0.48 0.00 -0.00 0.00 0.00 57.88 57.24 1ujv h LEU 40 Cb 1.06 0.00 -0.37 0.00 -0.00 0.00 0.00 40.66 41.35 1ujv h LEU 40 CO 1.12 0.39 -0.76 -0.62 -0.00 0.00 0.00 178.44 178.57 1ujv s ASP 41 N -6.45 2.62 -0.04 -0.43 2.15 -1.26 -4.92 116.67 108.33 1ujv s ASP 41 Ca 0.00 -1.49 -0.18 0.00 0.43 0.00 0.00 52.55 51.31 1ujv s ASP 41 Cb 0.11 -0.05 -0.12 0.00 -0.30 0.00 0.00 42.92 42.56 1ujv s ASP 41 CO 0.69 -0.36 0.76 0.40 -0.17 0.00 0.00 175.17 176.48 1ujv h ILE 42 N 5.76 0.44 0.00 4.11 2.04 -1.92 -3.00 117.51 124.94 1ujv h ILE 42 Ca -0.07 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 64.92 1ujv h ILE 42 Cb 1.02 0.73 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1ujv h ILE 42 CO 0.33 0.11 -0.03 1.56 0.00 0.00 0.00 178.15 180.12 1ujv h GLN 43 N -0.99 0.00 -0.39 2.37 4.20 -2.01 0.48 115.11 118.78 1ujv h GLN 43 Ca -0.04 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.73 1ujv h GLN 43 Cb 0.46 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1ujv h GLN 43 CO 0.06 0.03 0.26 0.78 -0.67 0.00 0.00 178.83 179.29 1ujv h GLY 44 N 0.20 0.35 -6.12 3.46 0.00 -1.90 -3.36 103.07 95.71 1ujv h GLY 44 Ca -0.00 -0.12 -0.58 0.00 0.00 0.00 0.00 47.33 46.63 1ujv h GLY 44 CO 0.00 0.09 -0.85 0.00 0.00 0.00 0.00 176.54 175.79 1ujv s PRO 46 N -1.79 3.31 0.00 0.00 0.04 -1.24 -2.01 135.00 133.30 1ujv s PRO 46 Ca 0.37 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1ujv s PRO 46 Cb 0.15 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.38 1ujv s PRO 46 CO -0.06 -1.90 0.00 0.41 0.04 0.00 0.00 177.00 175.49 1ujv n GLY 47 N 5.52 1.29 3.75 0.56 0.00 -1.26 -4.65 105.19 110.40 1ujv n GLY 47 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 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 3.46 0.14 0.99 2.96 -0.85 -5.07 118.68 120.31 1ujv s LEU 48 Ca 0.00 2.25 0.06 0.00 -0.22 0.00 0.00 54.13 56.22 1ujv s LEU 48 Cb 0.00 -4.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.07 1ujv s LEU 48 CO 0.00 -1.83 -0.14 0.00 -1.32 0.00 0.00 176.35 173.06 1ujv s GLU 50 N -2.93 4.41 -0.18 0.00 2.02 -1.26 -2.27 118.70 118.49 1ujv s GLU 50 Ca 0.12 2.08 0.00 0.00 0.02 0.00 0.00 54.97 57.19 1ujv s GLU 50 Cb -0.03 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.05 1ujv s GLU 50 CO 0.03 -0.15 0.00 0.41 0.02 0.00 0.00 175.26 175.57 1ujv n GLY 51 N 1.57 0.47 3.70 -1.39 0.00 0.41 -4.98 105.19 104.98 1ujv n GLY 51 Ca 0.03 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.06 3.72 -4.78 1.61 8.00 -0.96 -4.52 116.55 119.57 1ujv n ASP 52 Ca -0.02 1.06 -0.37 0.00 0.71 0.00 0.00 54.79 56.17 1ujv n ASP 52 Cb 0.19 -1.53 -0.06 0.00 -0.02 0.00 0.00 41.12 39.70 1ujv n ASP 52 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ujv s LEU 53 N 1.24 4.31 -0.11 0.64 2.96 -1.26 -0.93 118.68 125.52 1ujv s LEU 53 Ca 0.77 1.91 -0.02 0.00 -0.22 0.00 0.00 54.13 56.57 1ujv s LEU 53 Cb -0.56 -4.03 -0.03 0.00 0.50 0.00 0.00 46.19 42.07 1ujv s LEU 53 CO 0.34 -0.17 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.56 1ujv s ILE 54 N -1.59 4.10 0.09 6.68 1.01 -0.61 -0.63 121.20 130.25 1ujv s ILE 54 Ca 0.51 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.86 1ujv s ILE 54 Cb -0.20 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.52 1ujv s ILE 54 CO 0.26 0.56 0.00 0.52 0.00 0.00 0.00 174.94 176.27 1ujv n VAL 55 N 2.72 0.77 -4.20 2.92 0.31 -0.26 -4.44 118.33 116.14 1ujv n VAL 55 Ca -0.18 0.25 -0.19 0.00 -0.01 0.00 0.00 64.34 64.21 1ujv n VAL 55 Cb 0.53 -1.43 -0.12 0.00 -0.91 0.00 0.00 33.84 31.91 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 -2.00 0.87 -0.04 5.55 2.02 -0.77 -1.08 118.70 123.24 1ujv s GLU 56 Ca 0.00 -0.97 0.01 0.00 0.02 0.00 0.00 54.97 54.03 1ujv s GLU 56 Cb 0.00 -0.91 0.02 0.00 0.10 0.00 0.00 34.13 33.34 1ujv s GLU 56 CO 0.00 0.21 -0.02 0.42 0.02 0.00 0.00 175.26 175.88 1ujv s ILE 57 N -1.23 0.37 -1.68 -1.63 1.01 -0.56 -0.76 121.20 116.72 1ujv s ILE 57 Ca -0.01 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.51 1ujv s ILE 57 Cb -0.10 -0.43 0.11 0.00 0.01 0.00 0.00 42.46 42.05 1ujv s ILE 57 CO 0.02 0.19 0.33 0.59 0.00 0.00 0.00 174.94 176.07 1ujv n ASN 58 N 4.12 -0.55 0.00 3.58 3.02 0.90 -0.88 115.26 125.45 1ujv n ASN 58 Ca -0.25 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 1ujv n ASN 58 Cb 0.51 -1.79 0.00 0.00 -0.61 0.00 0.00 39.78 37.88 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 -4.35 -0.91 -2.40 3.52 3.00 -1.26 -4.96 117.38 110.02 1ujv n GLN 59 Ca -0.12 0.20 -0.42 0.00 -0.01 0.00 0.00 57.00 56.64 1ujv n GLN 59 Cb 0.59 -4.35 -0.03 0.00 0.00 0.00 0.00 30.24 26.45 1ujv n GLN 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 1ujv s GLN 60 N -1.27 4.35 0.12 -1.09 0.74 -0.06 -5.02 119.66 117.43 1ujv s GLN 60 Ca 0.00 1.76 -0.30 0.00 0.05 0.00 0.00 55.36 56.86 1ujv s GLN 60 Cb 0.00 -3.52 -0.07 0.00 1.10 0.00 0.00 33.01 30.52 1ujv s GLN 60 CO 0.00 -0.45 1.22 1.21 -0.55 0.00 0.00 175.29 176.72 1ujv s ASN 61 N 1.50 7.06 0.00 6.67 3.84 -1.26 -1.49 114.94 131.25 1ujv s ASN 61 Ca 0.58 2.14 0.00 0.00 0.21 0.00 0.00 52.86 55.80 1ujv s ASN 61 Cb -0.27 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 37.84 1ujv s ASN 61 CO 0.24 -0.44 0.34 1.33 -2.79 0.00 0.00 177.10 175.77 1ujv n VAL 62 N 3.31 0.00 0.00 -5.21 0.24 -0.24 -4.80 118.33 111.62 1ujv n VAL 62 Ca 0.07 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 1ujv n VAL 62 Cb 0.45 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 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 -0.19 0.00 0.00 7.34 1.13 -1.14 -0.94 117.38 123.58 1ujv n GLN 63 Ca 0.00 0.33 0.00 0.00 -1.94 0.00 0.00 57.00 55.39 1ujv n GLN 63 Cb 0.03 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.87 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 -1.33 0.73 -4.84 1.08 3.02 -1.26 -4.91 115.26 107.75 1ujv n ASN 64 Ca 0.00 -0.88 -0.29 0.00 -0.03 0.00 0.00 54.58 53.38 1ujv n ASN 64 Cb 0.00 0.22 0.10 0.00 -0.61 0.00 0.00 39.78 39.49 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 -0.43 2.44 0.37 3.41 1.43 -0.12 -5.08 118.68 120.70 1ujv s LEU 65 Ca 0.00 1.01 -0.08 0.00 -1.03 0.00 0.00 54.13 54.03 1ujv s LEU 65 Cb 0.00 -3.52 -0.06 0.00 0.03 0.00 0.00 46.19 42.64 1ujv s LEU 65 CO 0.00 -2.02 0.69 -0.44 0.23 0.00 0.00 176.35 174.81 1ujv s SER 66 N -4.23 6.46 0.20 2.29 0.01 -1.26 -4.88 113.70 112.28 1ujv s SER 66 Ca 0.62 0.94 -0.15 0.00 1.31 0.00 0.00 55.95 58.67 1ujv s SER 66 Cb -0.13 -2.24 0.20 0.00 0.21 0.00 0.00 66.02 64.06 1ujv s SER 66 CO 0.52 -0.35 1.62 -0.74 0.41 0.00 0.00 173.24 174.71 1ujv h HIS 67 N 1.26 -0.41 0.00 2.43 2.76 -1.96 -1.29 115.15 117.94 1ujv h HIS 67 Ca -0.47 0.06 -0.06 0.00 -2.20 0.00 0.00 60.37 57.70 1ujv h HIS 67 Cb 1.19 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 30.41 1ujv h HIS 67 CO 0.59 -0.28 -0.27 1.15 -1.30 0.00 0.00 177.93 177.82 1ujv h THR 68 N -0.03 1.14 -0.34 6.26 2.02 -1.98 0.52 112.91 120.50 1ujv h THR 68 Ca 0.28 -0.94 -0.06 0.00 0.77 0.00 0.00 66.41 66.46 1ujv h THR 68 Cb 0.46 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 1ujv h THR 68 CO -0.62 0.26 -0.01 -0.33 0.37 0.00 0.00 175.52 175.19 1ujv h GLU 69 N 0.00 0.60 -0.53 6.66 4.39 -1.65 -1.65 114.58 122.40 1ujv h GLU 69 Ca -0.00 -0.20 -0.12 0.00 0.34 0.00 0.00 59.36 59.38 1ujv h GLU 69 Cb 0.49 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1ujv h GLU 69 CO 0.04 0.73 -0.13 0.28 -1.16 0.00 0.00 179.01 178.76 1ujv h VAL 70 N 0.40 1.27 -0.33 3.13 2.07 -0.85 -1.56 116.25 120.39 1ujv h VAL 70 Ca 0.09 -1.30 0.07 0.00 0.82 0.00 0.00 66.70 66.38 1ujv h VAL 70 Cb 0.47 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 1ujv h VAL 70 CO 0.02 0.46 -0.12 0.58 0.02 0.00 0.00 177.57 178.52 1ujv h VAL 71 N 0.91 0.58 -0.45 2.57 2.07 -0.90 -1.76 116.25 119.28 1ujv h VAL 71 Ca 0.13 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.56 1ujv h VAL 71 Cb 0.71 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1ujv h VAL 71 CO 0.05 0.00 -0.09 -0.78 0.02 0.00 0.00 177.57 176.78 1ujv h ASP 72 N -0.06 0.79 -0.51 0.57 3.58 -0.70 -0.63 116.42 119.45 1ujv h ASP 72 Ca 0.17 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 1ujv h ASP 72 Cb 0.31 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 1ujv h ASP 72 CO -0.37 0.90 0.27 0.40 -2.88 0.00 0.00 179.24 177.56 1ujv h ILE 73 N 0.73 1.18 0.00 2.25 2.04 -1.16 -0.24 117.51 122.31 1ujv h ILE 73 Ca 0.13 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1ujv h ILE 73 Cb 0.57 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1ujv h ILE 73 CO 0.03 0.20 0.00 -0.07 0.00 0.00 0.00 178.15 178.31 1ujv h LEU 74 N 0.68 0.00 -0.04 1.44 3.38 -0.50 -1.11 115.31 119.16 1ujv h LEU 74 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1ujv h LEU 74 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1ujv h LEU 74 CO -0.03 0.00 -0.29 0.11 0.09 0.00 0.00 178.44 178.32 1ujv h LYS 75 N 0.00 0.27 0.00 1.13 1.57 0.43 -3.25 116.57 116.72 1ujv h LYS 75 Ca 0.00 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1ujv h LYS 75 Cb 0.22 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1ujv h LYS 75 CO 0.00 0.90 -0.04 0.22 -0.57 0.00 0.00 179.45 179.96 1ujv h ASP 76 N -0.29 0.00 -2.25 0.86 3.58 -0.61 -3.41 116.42 114.30 1ujv h ASP 76 Ca -0.02 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.85 1ujv h ASP 76 Cb 0.97 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.05 1ujv h ASP 76 CO 0.06 0.04 1.05 0.00 -2.88 0.00 0.00 179.24 177.51 1ujv s PRO 78 N 3.01 2.37 -0.18 0.00 0.04 -1.26 -4.97 135.00 134.00 1ujv s PRO 78 Ca 0.86 1.32 -0.20 0.00 0.04 0.00 0.00 61.00 63.02 1ujv s PRO 78 Cb -0.60 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 1ujv s PRO 78 CO 0.43 -1.57 0.58 0.42 0.04 0.00 0.00 177.00 176.91 1ujv s ILE 79 N -2.61 5.06 -1.23 0.56 -1.09 -1.26 -3.38 121.20 117.25 1ujv s ILE 79 Ca 0.65 1.10 0.00 0.00 -2.23 0.00 0.00 60.65 60.17 1ujv s ILE 79 Cb -0.20 -3.91 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 1ujv s ILE 79 CO 0.50 0.16 0.00 0.61 -1.23 0.00 0.00 174.94 174.98 1ujv n GLY 80 N 3.75 0.06 3.69 6.18 0.00 -0.69 -4.97 105.19 113.21 1ujv n GLY 80 Ca -0.03 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.45 4.84 0.68 1.61 0.01 -1.22 -4.94 113.70 112.23 1ujv s SER 81 Ca 0.00 -0.46 -0.16 0.00 1.31 0.00 0.00 55.95 56.64 1ujv s SER 81 Cb 0.00 -1.03 0.01 0.00 0.21 0.00 0.00 66.02 65.21 1ujv s SER 81 CO 0.00 0.03 1.16 -1.61 0.41 0.00 0.00 173.24 173.23 1ujv s GLU 82 N -3.40 2.54 -0.03 12.44 8.01 -1.26 -2.92 118.70 134.08 1ujv s GLU 82 Ca 0.30 1.61 -0.01 0.00 0.01 0.00 0.00 54.97 56.89 1ujv s GLU 82 Cb -0.08 -1.90 0.03 0.00 -4.31 0.00 0.00 34.13 27.87 1ujv s GLU 82 CO 0.20 -1.49 0.05 0.99 0.01 0.00 0.00 175.26 175.02 1ujv s THR 83 N -2.07 -0.05 -0.26 3.63 2.01 0.66 -4.88 115.64 114.67 1ujv s THR 83 Ca 0.72 0.18 -0.13 0.00 0.31 0.00 0.00 61.69 62.76 1ujv s THR 83 Cb -0.26 -0.11 -0.04 0.00 0.01 0.00 0.00 72.50 72.11 1ujv s THR 83 CO 0.41 0.07 0.30 -0.44 -0.69 0.00 0.00 174.62 174.28 1ujv s SER 84 N 0.95 6.20 0.12 3.53 0.01 -1.26 -1.58 113.70 121.66 1ujv s SER 84 Ca -0.08 0.21 0.10 0.00 1.31 0.00 0.00 55.95 57.50 1ujv s SER 84 Cb -0.11 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 63.91 1ujv s SER 84 CO -0.03 -0.11 -0.25 -0.76 0.41 0.00 0.00 173.24 172.50 1ujv s LEU 85 N 1.79 2.31 -0.10 2.44 1.02 -0.12 -0.07 118.68 125.95 1ujv s LEU 85 Ca 0.12 -0.72 0.01 0.00 0.02 0.00 0.00 54.13 53.56 1ujv s LEU 85 Cb -0.15 -1.11 0.02 0.00 0.02 0.00 0.00 46.19 44.96 1ujv s LEU 85 CO 0.09 0.14 -0.13 -0.63 0.02 0.00 0.00 176.35 175.85 1ujv s ILE 86 N -1.09 1.31 0.51 -0.59 1.01 0.06 -0.84 121.20 121.57 1ujv s ILE 86 Ca 0.11 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1ujv s ILE 86 Cb -0.10 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 1ujv s ILE 86 CO 0.05 0.40 0.09 0.27 0.00 0.00 0.00 174.94 175.76 1ujv s ILE 87 N 1.08 1.35 -0.21 2.92 -5.25 -0.91 -1.11 121.20 119.07 1ujv s ILE 87 Ca -0.06 -1.89 -0.06 0.00 -0.99 0.00 0.00 60.65 57.66 1ujv s ILE 87 Cb -0.15 -2.24 -0.03 0.00 2.95 0.00 0.00 42.46 43.00 1ujv s ILE 87 CO -0.02 0.00 0.03 -2.28 -1.79 0.00 0.00 174.94 170.88 1ujv s HIS 88 N -2.84 3.08 0.00 1.37 5.65 0.19 -3.73 115.29 119.01 1ujv s HIS 88 Ca 0.14 -0.37 0.00 0.00 0.25 0.00 0.00 55.06 55.09 1ujv s HIS 88 Cb 0.01 -2.12 0.00 0.00 -1.18 0.00 0.00 32.58 29.29 1ujv s HIS 88 CO 0.08 -0.21 0.00 -2.13 -0.65 0.00 0.00 174.74 171.83 1ujv n ARG 89 N 4.30 0.00 0.00 2.88 3.00 -1.26 -4.33 116.66 121.25 1ujv n ARG 89 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.68 1ujv n ARG 89 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 1ujv n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ujv n GLY 90 N 0.00 3.80 3.26 5.14 0.00 -1.26 -4.94 105.19 111.19 1ujv n GLY 90 Ca 0.00 -1.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 1ujv n GLY 90 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujv s SER 91 N 0.00 0.85 0.00 1.61 0.01 -1.26 -5.16 113.70 109.75 1ujv s SER 91 Ca 0.00 -1.49 0.00 0.00 1.31 0.00 0.00 55.95 55.77 1ujv s SER 91 Cb 0.00 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.62 1ujv s SER 91 CO 0.00 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.38 1ujv n GLY 92 N -0.42 4.07 3.81 3.44 0.00 -1.26 -5.08 105.19 109.75 1ujv n GLY 92 Ca 0.03 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.16 1ujv n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujv s PRO 93 N -2.76 2.75 0.42 1.61 0.04 -1.26 -4.97 135.00 130.83 1ujv s PRO 93 Ca 0.00 0.96 0.15 0.00 0.04 0.00 0.00 61.00 62.15 1ujv s PRO 93 Cb 0.00 -1.97 0.91 0.00 0.04 0.00 0.00 34.50 33.48 1ujv s PRO 93 CO 0.00 -1.23 1.92 1.03 0.04 0.00 0.00 177.00 178.75 1ujv h SER 94 N -0.82 0.00 -4.88 6.66 0.87 -2.07 -3.42 113.55 109.90 1ujv h SER 94 Ca -0.44 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.09 1ujv h SER 94 Cb 1.22 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 63.00 1ujv h SER 94 CO 0.56 0.27 0.25 -0.44 -0.53 0.00 0.00 176.83 176.94 1ujv s SER 95 N -6.87 -0.60 0.00 6.23 0.01 -1.26 -5.31 113.70 105.90 1ujv s SER 95 Ca -0.03 0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.76 1ujv s SER 95 Cb 0.15 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.89 1ujv s SER 95 CO 0.70 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 174.32