#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 0.32 -1.52 1.61 1.04 -1.26 -4.93 113.70 108.96 1ujv s SER 2 Ca 0.00 -0.72 -0.15 0.00 0.48 0.00 0.00 55.95 55.56 1ujv s SER 2 Cb 0.00 0.19 0.12 0.00 0.10 0.00 0.00 66.02 66.43 1ujv s SER 2 CO 0.00 -0.50 0.71 -1.20 0.98 0.00 0.00 173.24 173.23 1ujv n SER 3 N 0.68 -3.67 -2.83 7.02 7.64 -1.26 -4.92 113.62 116.28 1ujv n SER 3 Ca -0.18 -0.75 -0.08 0.00 1.01 0.00 0.00 58.87 58.88 1ujv n SER 3 Cb 0.59 -3.00 0.04 0.00 -1.01 0.00 0.00 64.21 60.83 1ujv n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujv n GLY 4 N -1.34 0.68 3.70 0.23 0.00 -1.26 -5.14 105.19 102.06 1ujv n GLY 4 Ca 0.04 -1.97 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 1ujv n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujv s SER 5 N -2.34 4.05 0.64 1.61 1.04 -1.26 -5.09 113.70 112.36 1ujv s SER 5 Ca 0.22 -1.48 0.00 0.00 0.48 0.00 0.00 55.95 55.17 1ujv s SER 5 Cb -0.01 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1ujv s SER 5 CO 0.14 -0.66 0.00 -1.20 0.98 0.00 0.00 173.24 172.50 1ujv n SER 6 N -1.15 -4.30 0.00 7.02 7.64 -1.26 -5.00 113.62 116.58 1ujv n SER 6 Ca -0.11 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ujv n SER 6 Cb 0.67 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 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 -0.31 0.82 3.68 0.23 0.00 -1.26 -5.18 105.19 103.17 1ujv n GLY 7 Ca 0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 0.29 1.77 0.17 1.61 -0.44 -1.26 -5.19 119.66 116.61 1ujv s GLN 8 Ca 0.00 -1.28 0.09 0.00 -2.50 0.00 0.00 55.36 51.67 1ujv s GLN 8 Cb 0.00 0.53 -0.04 0.00 -1.64 0.00 0.00 33.01 31.86 1ujv s GLN 8 CO 0.00 -0.77 -0.20 0.00 0.50 0.00 0.00 175.29 174.82 1ujv s ALA 9 N -3.59 2.17 -0.44 1.58 0.00 -1.26 -5.11 121.76 115.10 1ujv s ALA 9 Ca 0.19 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.62 1ujv s ALA 9 Cb -0.03 -0.23 0.12 0.00 0.00 0.00 0.00 23.12 22.98 1ujv s ALA 9 CO 0.10 0.29 0.20 -1.21 0.00 0.00 0.00 175.76 175.15 1ujv s GLU 10 N -2.76 1.93 0.13 0.00 2.02 -1.26 -5.06 118.70 113.69 1ujv s GLU 10 Ca 0.17 -2.10 0.01 0.00 0.02 0.00 0.00 54.97 53.08 1ujv s GLU 10 Cb -0.06 -3.45 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 1ujv s GLU 10 CO 0.08 -1.05 -0.02 -0.51 0.02 0.00 0.00 175.26 173.78 1ujv s LEU 11 N 0.62 2.23 -0.28 1.80 1.02 -1.25 -3.77 118.68 119.05 1ujv s LEU 11 Ca 0.12 -1.11 -0.05 0.00 0.02 0.00 0.00 54.13 53.12 1ujv s LEU 11 Cb -0.22 0.01 0.02 0.00 0.02 0.00 0.00 46.19 46.02 1ujv s LEU 11 CO -0.05 -0.56 0.02 -0.04 0.02 0.00 0.00 176.35 175.75 1ujv s MET 12 N -3.91 2.97 -0.03 1.70 -1.94 0.04 -4.88 119.30 113.26 1ujv s MET 12 Ca 0.18 -0.91 -0.26 0.00 -1.71 0.00 0.00 55.69 52.99 1ujv s MET 12 Cb 0.06 -3.22 -0.03 0.00 2.01 0.00 0.00 34.83 33.65 1ujv s MET 12 CO -0.00 -0.43 0.82 0.99 -0.01 0.00 0.00 175.02 176.38 1ujv s THR 13 N 1.43 4.96 0.19 2.05 2.01 -1.26 -1.27 115.64 123.75 1ujv s THR 13 Ca 0.01 1.71 -0.01 0.00 0.31 0.00 0.00 61.69 63.72 1ujv s THR 13 Cb -0.17 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.14 1ujv s THR 13 CO -0.00 0.22 0.10 -0.76 -0.69 0.00 0.00 174.62 173.49 1ujv s LEU 14 N 0.85 1.41 0.11 4.42 1.43 -0.17 -5.00 118.68 121.72 1ujv s LEU 14 Ca 0.44 -1.34 0.09 0.00 -1.03 0.00 0.00 54.13 52.29 1ujv s LEU 14 Cb -0.19 0.29 -0.04 0.00 0.03 0.00 0.00 46.19 46.28 1ujv s LEU 14 CO 0.23 -0.79 -0.23 -0.89 0.23 0.00 0.00 176.35 174.90 1ujv s THR 15 N -4.05 1.92 0.11 5.49 2.01 -1.26 -0.87 115.64 118.99 1ujv s THR 15 Ca 0.35 -1.62 0.05 0.00 0.31 0.00 0.00 61.69 60.78 1ujv s THR 15 Cb 0.07 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 1ujv s THR 15 CO 0.10 0.01 -0.13 0.27 -0.69 0.00 0.00 174.62 174.18 1ujv s ILE 16 N -1.11 1.17 -0.25 1.82 -4.36 -0.21 -3.49 121.20 114.77 1ujv s ILE 16 Ca 0.09 -1.64 -0.03 0.00 -0.26 0.00 0.00 60.65 58.81 1ujv s ILE 16 Cb -0.10 -1.42 0.08 0.00 1.25 0.00 0.00 42.46 42.28 1ujv s ILE 16 CO 0.05 -0.45 0.09 -0.69 0.24 0.00 0.00 174.94 174.18 1ujv s VAL 17 N -2.15 0.30 -0.13 8.37 1.01 -0.44 -1.12 120.40 126.25 1ujv s VAL 17 Ca 0.06 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 1ujv s VAL 17 Cb -0.05 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 1ujv s VAL 17 CO 0.02 -0.49 1.60 -0.75 0.00 0.00 0.00 175.10 175.48 1ujv s LYS 18 N 1.93 4.04 -0.06 2.72 2.20 -1.26 -4.64 119.74 124.68 1ujv s LYS 18 Ca 0.05 1.94 -0.03 0.00 -0.36 0.00 0.00 55.97 57.57 1ujv s LYS 18 Cb -0.17 -3.98 -0.02 0.00 -1.51 0.00 0.00 37.83 32.16 1ujv s LYS 18 CO -0.21 -1.00 0.15 0.78 -0.36 0.00 0.00 175.35 174.70 1ujv h GLY 19 N 10.75 -0.10 0.00 5.54 0.00 -1.89 0.13 103.07 117.49 1ujv h GLY 19 Ca -0.36 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1ujv h GLY 19 CO 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 176.54 177.47 1ujv n ALA 20 N -2.52 0.00 -1.00 3.60 0.00 -1.26 -4.60 120.51 114.73 1ujv n ALA 20 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.18 1ujv n ALA 20 Cb 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 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 -3.30 2.60 -3.90 0.00 1.13 -1.26 -4.63 117.38 108.02 1ujv n GLN 21 Ca 0.00 -1.54 -0.38 0.00 -1.94 0.00 0.00 57.00 53.13 1ujv n GLN 21 Cb 0.00 -2.41 0.02 0.00 0.11 0.00 0.00 30.24 27.97 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 3.28 -0.96 5.07 1.08 0.00 -1.26 -2.44 105.19 109.97 1ujv n GLY 22 Ca 0.56 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.99 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 -4.40 0.00 0.00 1.61 3.01 -1.26 -4.52 117.46 111.90 1ujv n PHE 23 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 1ujv n PHE 23 Cb 0.59 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.06 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 0.00 3.40 3.42 1.37 0.00 -1.02 -4.47 105.19 107.89 1ujv n GLY 24 Ca 0.00 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 1ujv n GLY 24 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1ujv n PHE 25 N 0.00 -1.35 -4.30 1.61 -1.74 -1.26 -4.49 117.46 105.93 1ujv n PHE 25 Ca 0.00 0.25 -0.28 0.00 -0.56 0.00 0.00 57.45 56.86 1ujv n PHE 25 Cb 0.00 -1.81 -0.10 0.00 1.52 0.00 0.00 39.48 39.09 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 -2.29 2.99 0.27 1.97 -4.23 0.13 -4.90 115.64 109.59 1ujv s THR 26 Ca 0.58 -1.57 0.11 0.00 -1.18 0.00 0.00 61.69 59.63 1ujv s THR 26 Cb -0.24 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.13 1ujv s THR 26 CO 0.66 0.01 -0.12 0.27 -0.54 0.00 0.00 174.62 174.89 1ujv s ILE 27 N -1.40 2.88 -0.06 2.99 -4.36 -1.26 -0.59 121.20 119.41 1ujv s ILE 27 Ca 0.21 -2.20 0.02 0.00 -0.26 0.00 0.00 60.65 58.42 1ujv s ILE 27 Cb -0.10 -2.52 0.02 0.00 1.25 0.00 0.00 42.46 41.11 1ujv s ILE 27 CO 0.12 -0.39 -0.09 0.00 0.24 0.00 0.00 174.94 174.83 1ujv s ALA 28 N -2.42 1.03 0.06 2.27 0.00 0.56 -4.50 121.76 118.75 1ujv s ALA 28 Ca 0.30 -0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.68 1ujv s ALA 28 Cb -0.06 -0.52 -0.07 0.00 0.00 0.00 0.00 23.12 22.48 1ujv s ALA 28 CO 0.17 0.05 1.35 0.34 0.00 0.00 0.00 175.76 177.67 1ujv s ASP 29 N 0.78 6.89 0.36 0.00 2.15 -1.26 -1.31 116.67 124.27 1ujv s ASP 29 Ca -0.13 2.18 0.06 0.00 0.43 0.00 0.00 52.55 55.10 1ujv s ASP 29 Cb -0.15 -2.58 -0.07 0.00 -0.30 0.00 0.00 42.92 39.82 1ujv s ASP 29 CO 0.02 -0.63 -0.00 -0.94 -0.17 0.00 0.00 175.17 173.44 1ujv s SER 30 N 1.36 3.29 0.37 -0.34 1.04 -0.41 -4.94 113.70 114.08 1ujv s SER 30 Ca 0.63 -1.32 0.04 0.00 0.48 0.00 0.00 55.95 55.78 1ujv s SER 30 Cb -0.33 -0.27 0.71 0.00 0.10 0.00 0.00 66.02 66.22 1ujv s SER 30 CO 0.29 -0.44 2.03 1.55 0.98 0.00 0.00 173.24 177.65 1ujv h PRO 31 N 1.98 0.74 -0.06 4.02 0.13 -2.01 -2.70 132.00 134.09 1ujv h PRO 31 Ca -0.42 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1ujv h PRO 31 Cb 1.24 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1ujv h PRO 31 CO 0.74 0.49 0.00 0.25 -0.23 0.00 0.00 178.00 179.25 1ujv n THR 32 N -4.45 0.08 0.00 1.56 -2.24 -1.26 -5.02 114.28 102.95 1ujv n THR 32 Ca 0.05 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1ujv n THR 32 Cb 0.05 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.77 -1.13 3.79 3.38 0.00 -1.02 -4.96 105.19 106.02 1ujv n GLY 33 Ca 0.09 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 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 4.45 0.22 1.61 -1.52 -1.26 -1.28 119.66 121.88 1ujv s GLN 34 Ca 0.00 1.05 0.03 0.00 -1.95 0.00 0.00 55.36 54.49 1ujv s GLN 34 Cb 0.00 -3.13 -0.05 0.00 -0.22 0.00 0.00 33.01 29.61 1ujv s GLN 34 CO 0.00 0.52 0.00 1.03 -0.25 0.00 0.00 175.29 176.59 1ujv s ARG 35 N -1.42 1.30 -0.18 2.91 0.52 -0.43 -1.10 118.95 120.55 1ujv s ARG 35 Ca 0.38 -1.65 -0.21 0.00 -0.52 0.00 0.00 55.73 53.73 1ujv s ARG 35 Cb -0.21 -0.53 -0.03 0.00 0.52 0.00 0.00 34.95 34.70 1ujv s ARG 35 CO 0.24 -0.11 0.61 0.08 0.02 0.00 0.00 175.30 176.14 1ujv s VAL 36 N -3.48 5.04 -0.01 3.52 1.01 -1.21 -0.33 120.40 124.95 1ujv s VAL 36 Ca 0.28 1.17 -0.02 0.00 0.00 0.00 0.00 61.98 63.41 1ujv s VAL 36 Cb 0.06 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 1ujv s VAL 36 CO 0.08 0.14 0.34 0.50 0.00 0.00 0.00 175.10 176.16 1ujv h LYS 37 N 7.37 -0.07 -2.42 2.72 1.63 -1.08 -0.02 116.57 124.71 1ujv h LYS 37 Ca -0.33 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.39 1ujv h LYS 37 Cb 1.15 0.02 -0.23 0.00 -0.60 0.00 0.00 32.23 32.57 1ujv h LYS 37 CO 0.77 -0.04 -0.10 -1.14 -3.45 0.00 0.00 179.45 175.49 1ujv s GLN 38 N -1.84 0.61 -0.07 1.90 0.74 -1.20 -4.75 119.66 115.05 1ujv s GLN 38 Ca -0.01 0.80 -0.25 0.00 0.05 0.00 0.00 55.36 55.95 1ujv s GLN 38 Cb 0.00 0.25 -0.03 0.00 1.10 0.00 0.00 33.01 34.33 1ujv s GLN 38 CO 0.03 -0.09 0.77 0.42 -0.55 0.00 0.00 175.29 175.87 1ujv s ILE 39 N 0.54 4.99 -0.79 -2.34 1.01 -1.26 -0.69 121.20 122.66 1ujv s ILE 39 Ca -0.02 1.58 0.12 0.00 0.00 0.00 0.00 60.65 62.34 1ujv s ILE 39 Cb -0.04 -4.10 -0.09 0.00 0.01 0.00 0.00 42.46 38.24 1ujv s ILE 39 CO -0.03 0.21 0.59 0.18 0.00 0.00 0.00 174.94 175.89 1ujv n LEU 40 N 3.98 0.87 -3.50 2.97 4.77 -1.26 -4.91 117.00 119.91 1ujv n LEU 40 Ca 0.01 -0.59 -0.11 0.00 -0.03 0.00 0.00 56.01 55.28 1ujv n LEU 40 Cb 0.51 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.50 1ujv n LEU 40 CO 0.48 0.19 -0.08 -0.62 -1.33 0.00 0.00 177.39 176.04 1ujv s ASP 41 N -1.95 0.33 -0.01 -1.43 -1.08 -1.26 -4.87 116.67 106.40 1ujv s ASP 41 Ca 0.07 0.40 -0.23 0.00 -0.52 0.00 0.00 52.55 52.26 1ujv s ASP 41 Cb 0.10 0.97 -0.15 0.00 -1.46 0.00 0.00 42.92 42.38 1ujv s ASP 41 CO 0.44 -0.28 1.08 0.40 0.52 0.00 0.00 175.17 177.33 1ujv h ILE 42 N 6.22 0.54 -0.48 4.11 2.04 -1.90 -3.12 117.51 124.91 1ujv h ILE 42 Ca -0.17 -0.65 0.08 0.00 1.00 0.00 0.00 64.86 65.11 1ujv h ILE 42 Cb 1.14 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 1ujv h ILE 42 CO 0.21 0.10 0.33 1.56 0.00 0.00 0.00 178.15 180.35 1ujv h GLN 43 N -0.89 0.31 0.00 2.37 4.20 -1.99 -1.54 115.11 117.57 1ujv h GLN 43 Ca -0.05 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.60 1ujv h GLN 43 Cb 0.53 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1ujv h GLN 43 CO 0.08 0.21 -0.21 0.78 -0.67 0.00 0.00 178.83 179.01 1ujv h GLY 44 N 0.32 0.00 -6.25 3.46 0.00 -1.82 -3.37 103.07 95.41 1ujv h GLY 44 Ca 0.22 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.96 1ujv h GLY 44 CO -0.05 0.00 -0.90 0.00 0.00 0.00 0.00 176.54 175.59 1ujv n PRO 46 N 1.65 1.10 0.00 0.00 -0.02 -1.23 -2.41 135.00 134.09 1ujv n PRO 46 Ca 0.25 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1ujv n PRO 46 Cb 0.47 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1ujv n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ujv n GLY 47 N 6.44 2.64 3.60 -1.23 0.00 -1.26 -4.29 105.19 111.07 1ujv n GLY 47 Ca 0.40 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.07 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 3.23 -3.88 0.99 -0.00 -1.01 -5.04 117.00 111.29 1ujv n LEU 48 Ca 0.00 0.67 -0.11 0.00 -0.00 0.00 0.00 56.01 56.57 1ujv n LEU 48 Cb 0.00 -1.38 -0.10 0.00 -0.00 0.00 0.00 43.42 41.94 1ujv n LEU 48 CO 0.00 -2.14 -0.17 0.00 -0.00 0.00 0.00 177.39 175.07 1ujv s GLU 50 N -1.67 3.70 -0.05 0.00 2.02 -1.26 -2.62 118.70 118.81 1ujv s GLU 50 Ca -0.13 2.44 0.00 0.00 0.02 0.00 0.00 54.97 57.31 1ujv s GLU 50 Cb -0.06 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.50 1ujv s GLU 50 CO 0.00 -0.82 0.00 0.41 0.02 0.00 0.00 175.26 174.87 1ujv n GLY 51 N 0.57 0.18 3.61 -1.39 0.00 -0.02 -4.85 105.19 103.28 1ujv n GLY 51 Ca 0.05 -0.01 -0.49 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.72 2.96 -4.57 1.61 8.00 -1.08 -4.68 116.55 118.08 1ujv n ASP 52 Ca -0.00 0.73 -0.41 0.00 0.71 0.00 0.00 54.79 55.81 1ujv n ASP 52 Cb 0.37 -1.34 -0.03 0.00 -0.02 0.00 0.00 41.12 40.10 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 5.49 3.34 0.41 0.64 1.98 -1.26 -3.28 118.68 126.00 1ujv s LEU 53 Ca 0.99 -0.01 -0.25 0.00 -2.89 0.00 0.00 54.13 51.97 1ujv s LEU 53 Cb -0.73 -2.91 -0.08 0.00 0.66 0.00 0.00 46.19 43.12 1ujv s LEU 53 CO 0.50 -1.70 1.24 -0.63 -1.89 0.00 0.00 176.35 173.87 1ujv s ILE 54 N 5.69 2.86 0.05 6.68 1.01 -0.26 -0.14 121.20 137.09 1ujv s ILE 54 Ca 0.44 0.74 0.00 0.00 0.00 0.00 0.00 60.65 61.83 1ujv s ILE 54 Cb -0.09 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 38.96 1ujv s ILE 54 CO 0.22 0.08 0.00 0.52 0.00 0.00 0.00 174.94 175.76 1ujv n VAL 55 N 0.03 0.13 -4.36 2.92 0.31 -0.02 -4.53 118.33 112.82 1ujv n VAL 55 Ca 0.04 0.04 -0.20 0.00 -0.01 0.00 0.00 64.34 64.22 1ujv n VAL 55 Cb 0.45 -0.99 -0.13 0.00 -0.91 0.00 0.00 33.84 32.26 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 0.94 -0.10 5.55 2.02 -0.93 -0.79 118.70 123.38 1ujv s GLU 56 Ca 0.00 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 54.25 1ujv s GLU 56 Cb 0.00 -0.94 0.02 0.00 0.10 0.00 0.00 34.13 33.30 1ujv s GLU 56 CO 0.00 0.23 -0.13 0.42 0.02 0.00 0.00 175.26 175.80 1ujv s ILE 57 N -0.85 1.36 -1.57 -1.63 1.01 -0.81 -0.78 121.20 117.93 1ujv s ILE 57 Ca 0.02 -0.56 -0.16 0.00 0.00 0.00 0.00 60.65 59.95 1ujv s ILE 57 Cb -0.08 -1.26 0.13 0.00 0.01 0.00 0.00 42.46 41.26 1ujv s ILE 57 CO 0.01 0.41 0.76 0.59 0.00 0.00 0.00 174.94 176.72 1ujv n ASN 58 N 4.26 -3.70 0.00 3.58 3.02 -0.84 -1.14 115.26 120.44 1ujv n ASN 58 Ca -0.19 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1ujv n ASN 58 Cb 0.51 -3.01 0.00 0.00 -0.61 0.00 0.00 39.78 36.67 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 -4.29 0.00 -2.68 3.52 6.02 -1.26 -5.00 117.38 113.69 1ujv n GLN 59 Ca 0.06 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.64 1ujv n GLN 59 Cb 0.50 -3.11 -0.04 0.00 1.02 0.00 0.00 30.24 28.61 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 -0.31 4.69 -0.09 -1.09 0.74 -0.29 -5.02 119.66 118.29 1ujv s GLN 60 Ca 0.00 1.52 -0.30 0.00 0.05 0.00 0.00 55.36 56.64 1ujv s GLN 60 Cb 0.00 -3.34 -0.04 0.00 1.10 0.00 0.00 33.01 30.73 1ujv s GLN 60 CO 0.00 0.21 1.40 1.21 -0.55 0.00 0.00 175.29 177.56 1ujv s ASN 61 N -0.15 6.85 0.00 6.67 3.84 -1.26 -1.92 114.94 128.97 1ujv s ASN 61 Ca 0.47 1.95 0.00 0.00 0.21 0.00 0.00 52.86 55.49 1ujv s ASN 61 Cb -0.25 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 37.91 1ujv s ASN 61 CO 0.31 -0.79 0.77 1.33 -2.79 0.00 0.00 177.10 175.94 1ujv n VAL 62 N 5.19 0.58 -0.17 -5.21 0.24 0.03 -4.66 118.33 114.33 1ujv n VAL 62 Ca 0.14 -0.74 -0.07 0.00 -2.04 0.00 0.00 64.34 61.63 1ujv n VAL 62 Cb 0.44 0.75 0.02 0.00 -1.47 0.00 0.00 33.84 33.57 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 0.65 -0.91 7.34 4.20 -1.73 -3.11 115.11 121.55 1ujv h GLN 63 Ca 0.00 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 1ujv h GLN 63 Cb 0.37 -0.15 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 1ujv h GLN 63 CO 0.00 0.43 0.13 -1.71 -0.67 0.00 0.00 178.83 177.01 1ujv n ASN 64 N -4.74 3.14 -4.25 1.46 5.15 -1.26 -4.77 115.26 109.98 1ujv n ASN 64 Ca 0.02 -2.52 -0.28 0.00 -0.60 0.00 0.00 54.58 51.20 1ujv n ASN 64 Cb 0.02 -0.61 -0.16 0.00 -0.53 0.00 0.00 39.78 38.51 1ujv n ASN 64 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1ujv s LEU 65 N -1.25 2.06 0.76 1.20 1.43 -1.18 -5.13 118.68 116.56 1ujv s LEU 65 Ca 0.23 -0.42 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 1ujv s LEU 65 Cb 0.19 -1.14 0.05 0.00 0.03 0.00 0.00 46.19 45.32 1ujv s LEU 65 CO 0.06 0.26 1.11 -0.44 0.23 0.00 0.00 176.35 177.57 1ujv s SER 66 N -0.61 4.42 0.19 2.29 0.01 -1.26 -4.76 113.70 113.98 1ujv s SER 66 Ca 0.09 1.96 -0.17 0.00 1.31 0.00 0.00 55.95 59.14 1ujv s SER 66 Cb -0.09 -2.54 0.17 0.00 0.21 0.00 0.00 66.02 63.78 1ujv s SER 66 CO -0.00 -2.10 1.62 -0.74 0.41 0.00 0.00 173.24 172.43 1ujv h HIS 67 N -0.86 -0.54 0.00 2.43 2.76 -1.97 -0.08 115.15 116.89 1ujv h HIS 67 Ca -0.45 0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 57.73 1ujv h HIS 67 Cb 1.25 0.32 -0.01 0.00 1.55 0.00 0.00 27.41 30.52 1ujv h HIS 67 CO 0.55 -0.31 -0.25 1.15 -1.30 0.00 0.00 177.93 177.77 1ujv h THR 68 N -0.08 0.88 -0.25 6.26 2.02 -1.98 -0.11 112.91 119.65 1ujv h THR 68 Ca 0.26 -0.96 -0.10 0.00 0.77 0.00 0.00 66.41 66.37 1ujv h THR 68 Cb 0.48 1.57 -0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1ujv h THR 68 CO -0.62 0.24 -0.25 -0.33 0.37 0.00 0.00 175.52 174.94 1ujv h GLU 69 N 0.00 0.61 -0.43 6.66 4.39 -1.38 0.12 114.58 124.55 1ujv h GLU 69 Ca -0.00 -0.32 -0.09 0.00 0.34 0.00 0.00 59.36 59.29 1ujv h GLU 69 Cb 0.55 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1ujv h GLU 69 CO 0.03 0.92 -0.08 0.28 -1.16 0.00 0.00 179.01 179.00 1ujv h VAL 70 N 0.33 1.25 -0.32 3.13 2.07 -0.76 0.27 116.25 122.22 1ujv h VAL 70 Ca 0.04 -1.12 0.03 0.00 0.82 0.00 0.00 66.70 66.47 1ujv h VAL 70 Cb 0.81 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1ujv h VAL 70 CO 0.06 0.38 0.13 0.58 0.02 0.00 0.00 177.57 178.74 1ujv h VAL 71 N 0.70 0.94 -0.03 2.57 2.07 -0.93 -1.79 116.25 119.78 1ujv h VAL 71 Ca 0.12 -0.09 -0.10 0.00 0.82 0.00 0.00 66.70 67.45 1ujv h VAL 71 Cb 0.55 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1ujv h VAL 71 CO 0.03 0.05 -0.44 -0.78 0.02 0.00 0.00 177.57 176.46 1ujv h ASP 72 N 0.28 0.06 -0.09 0.57 3.58 0.08 0.20 116.42 121.09 1ujv h ASP 72 Ca 0.14 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 1ujv h ASP 72 Cb 0.09 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 1ujv h ASP 72 CO -0.13 0.49 -0.03 0.40 -2.88 0.00 0.00 179.24 177.09 1ujv h ILE 73 N 0.05 1.31 0.00 2.25 2.04 -0.93 -0.34 117.51 121.89 1ujv h ILE 73 Ca 0.00 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 1ujv h ILE 73 Cb 0.79 1.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1ujv h ILE 73 CO 0.06 0.28 -0.06 -0.07 0.00 0.00 0.00 178.15 178.36 1ujv h LEU 74 N -0.16 0.00 -0.31 1.44 3.38 -0.54 -1.47 115.31 117.66 1ujv h LEU 74 Ca 0.02 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.79 1ujv h LEU 74 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ujv h LEU 74 CO 0.01 0.06 -0.81 0.11 0.09 0.00 0.00 178.44 177.90 1ujv h LYS 75 N 0.00 0.41 -0.48 1.13 1.57 -0.33 -3.21 116.57 115.66 1ujv h LYS 75 Ca -0.00 -0.37 0.10 0.00 -1.87 0.00 0.00 60.65 58.50 1ujv h LYS 75 Cb 0.16 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.47 1ujv h LYS 75 CO 0.01 1.02 -0.10 0.22 -0.57 0.00 0.00 179.45 180.03 1ujv h ASP 76 N 0.26 -0.40 -0.70 0.86 3.58 0.03 -3.44 116.42 116.62 1ujv h ASP 76 Ca -0.05 0.14 -0.80 0.00 0.42 0.00 0.00 57.03 56.74 1ujv h ASP 76 Cb 1.41 0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.73 1ujv h ASP 76 CO 0.14 -0.14 1.02 0.00 -2.88 0.00 0.00 179.24 177.38 1ujv n PRO 78 N 5.89 2.52 -1.91 0.00 -0.02 -1.26 -4.91 135.00 135.31 1ujv n PRO 78 Ca 0.40 0.91 -0.40 0.00 -2.02 0.00 0.00 63.50 62.39 1ujv n PRO 78 Cb -0.00 -2.75 -0.00 0.00 -0.02 0.00 0.00 33.50 30.73 1ujv n PRO 78 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ujv s ILE 79 N 1.84 2.29 -1.28 4.25 1.01 -1.26 -1.39 121.20 126.65 1ujv s ILE 79 Ca 0.80 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.73 1ujv s ILE 79 Cb -0.57 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 38.73 1ujv s ILE 79 CO 0.37 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.98 1ujv n GLY 80 N 0.59 1.18 3.91 6.18 0.00 0.44 -4.99 105.19 112.50 1ujv n GLY 80 Ca 0.02 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.49 6.17 0.13 1.61 0.15 -0.48 -4.95 113.70 113.83 1ujv s SER 81 Ca 0.00 0.89 -0.30 0.00 0.70 0.00 0.00 55.95 57.24 1ujv s SER 81 Cb 0.00 -2.17 -0.06 0.00 -1.71 0.00 0.00 66.02 62.08 1ujv s SER 81 CO 0.00 -0.64 0.95 -0.70 1.20 0.00 0.00 173.24 174.05 1ujv s GLU 82 N -4.77 4.71 -0.26 5.44 -6.30 -1.26 -3.98 118.70 112.28 1ujv s GLU 82 Ca 0.48 1.43 0.03 0.00 -2.50 0.00 0.00 54.97 54.41 1ujv s GLU 82 Cb -0.10 -3.36 0.06 0.00 0.00 0.00 0.00 34.13 30.73 1ujv s GLU 82 CO 0.45 0.27 -0.10 0.99 0.02 0.00 0.00 175.26 176.88 1ujv s THR 83 N -0.19 2.11 -0.58 -1.70 2.01 -0.27 -5.01 115.64 112.01 1ujv s THR 83 Ca 0.46 -1.62 -0.24 0.00 0.31 0.00 0.00 61.69 60.60 1ujv s THR 83 Cb -0.24 -2.24 0.05 0.00 0.01 0.00 0.00 72.50 70.08 1ujv s THR 83 CO 0.30 -0.05 0.94 -0.44 -0.69 0.00 0.00 174.62 174.68 1ujv s SER 84 N 1.12 6.29 0.28 3.53 0.01 -1.26 -1.04 113.70 122.62 1ujv s SER 84 Ca -0.08 -0.54 0.04 0.00 1.31 0.00 0.00 55.95 56.68 1ujv s SER 84 Cb -0.20 -2.43 -0.03 0.00 0.21 0.00 0.00 66.02 63.58 1ujv s SER 84 CO -0.05 -1.27 0.42 -0.76 0.41 0.00 0.00 173.24 171.99 1ujv s LEU 85 N 3.94 4.21 -0.06 2.44 1.02 -0.05 -1.99 118.68 128.20 1ujv s LEU 85 Ca 0.28 0.17 0.02 0.00 0.02 0.00 0.00 54.13 54.62 1ujv s LEU 85 Cb -0.14 -2.99 0.01 0.00 0.02 0.00 0.00 46.19 43.09 1ujv s LEU 85 CO 0.17 -0.16 -0.12 -0.63 0.02 0.00 0.00 176.35 175.62 1ujv s ILE 86 N -2.09 1.13 0.08 -0.59 1.01 0.04 -1.00 121.20 119.79 1ujv s ILE 86 Ca 0.36 -0.49 0.06 0.00 0.00 0.00 0.00 60.65 60.58 1ujv s ILE 86 Cb -0.09 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 1ujv s ILE 86 CO 0.31 0.35 -0.16 0.27 0.00 0.00 0.00 174.94 175.72 1ujv s ILE 87 N 0.59 1.27 -0.31 2.92 -5.25 -0.39 -0.84 121.20 119.19 1ujv s ILE 87 Ca -0.13 -1.41 -0.27 0.00 -0.99 0.00 0.00 60.65 57.85 1ujv s ILE 87 Cb -0.15 -1.23 0.01 0.00 2.95 0.00 0.00 42.46 44.04 1ujv s ILE 87 CO 0.03 -0.21 0.97 -2.28 -1.79 0.00 0.00 174.94 171.66 1ujv s HIS 88 N -1.35 3.19 -0.30 1.37 2.46 0.80 -0.78 115.29 120.68 1ujv s HIS 88 Ca 0.01 1.09 -0.05 0.00 0.47 0.00 0.00 55.06 56.58 1ujv s HIS 88 Cb -0.09 -3.49 0.17 0.00 -0.13 0.00 0.00 32.58 29.03 1ujv s HIS 88 CO 0.03 -0.67 0.64 0.50 -2.47 0.00 0.00 174.74 172.77 1ujv s ARG 89 N 3.37 0.55 0.00 2.88 6.06 -1.25 -4.06 118.95 126.50 1ujv s ARG 89 Ca 0.41 1.15 0.00 0.00 -2.50 0.00 0.00 55.73 54.79 1ujv s ARG 89 Cb -0.13 0.66 0.00 0.00 0.06 0.00 0.00 34.95 35.54 1ujv s ARG 89 CO 0.13 -0.44 0.00 0.41 -2.50 0.00 0.00 175.30 172.91 1ujv n GLY 90 N 5.43 0.46 0.46 8.12 0.00 -1.26 -3.77 105.19 114.63 1ujv n GLY 90 Ca -0.05 0.20 0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.50 -0.50 1.61 2.88 -1.26 -5.13 113.62 108.72 1ujv n SER 91 Ca 0.00 0.54 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1ujv n SER 91 Cb 0.00 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 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 -2.04 3.30 0.00 0.46 0.00 -1.26 -5.00 105.19 100.65 1ujv n GLY 92 Ca -0.01 -1.13 0.05 0.00 0.00 0.00 0.00 46.02 44.93 1ujv n GLY 92 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujv n PRO 93 N 0.00 0.84 0.00 1.61 -0.04 -1.26 -4.73 135.00 131.42 1ujv n PRO 93 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ujv n PRO 93 Cb 0.00 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1ujv n PRO 93 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ujv n SER 94 N -0.67 0.00 0.00 3.54 2.88 -1.26 -5.15 113.62 112.96 1ujv n SER 94 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1ujv n SER 94 Cb 0.03 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1ujv n SER 94 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ujv n SER 95 N 0.00 -0.73 0.00 -3.46 2.88 -1.26 -5.22 113.62 105.83 1ujv n SER 95 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ujv n SER 95 Cb 0.00 0.98 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 1ujv n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42