#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 -0.21 0.55 1.61 1.04 -1.26 -5.13 113.70 110.31 1ujv s SER 2 Ca 0.00 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1ujv s SER 2 Cb 0.00 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.82 1ujv s SER 2 CO 0.00 -1.31 0.00 -1.20 0.98 0.00 0.00 173.24 171.71 1ujv n SER 3 N -0.47 -2.78 0.00 7.02 7.64 -1.26 -4.94 113.62 118.84 1ujv n SER 3 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1ujv n SER 3 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 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 0.00 0.91 2.88 0.23 0.00 -1.26 -4.78 105.19 103.16 1ujv n GLY 4 Ca 0.00 -0.69 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.00 -0.02 0.72 1.61 1.04 -1.26 -5.15 113.70 106.64 1ujv s SER 5 Ca 0.00 0.07 -0.15 0.00 0.48 0.00 0.00 55.95 56.34 1ujv s SER 5 Cb 0.00 0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.19 1ujv s SER 5 CO 0.00 -0.04 1.20 -0.94 0.98 0.00 0.00 173.24 174.44 1ujv s SER 6 N 0.26 4.34 0.08 7.02 1.04 -1.26 -5.07 113.70 120.12 1ujv s SER 6 Ca -0.02 2.32 0.00 0.00 0.48 0.00 0.00 55.95 58.73 1ujv s SER 6 Cb -0.03 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1ujv s SER 6 CO -0.01 -2.16 0.00 0.61 0.98 0.00 0.00 173.24 172.66 1ujv n GLY 7 N 0.31 -1.52 2.15 7.32 0.00 -1.26 -4.85 105.19 107.34 1ujv n GLY 7 Ca 0.13 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.38 1ujv n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ujv n GLN 8 N -0.10 0.00 0.21 1.61 3.00 -1.26 -4.77 117.38 116.07 1ujv n GLN 8 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.14 1ujv n GLN 8 Cb 0.00 -0.93 0.69 0.00 0.00 0.00 0.00 30.24 30.00 1ujv n GLN 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ujv h ALA 9 N 7.29 1.00 -6.41 -1.58 0.00 -2.04 -3.47 119.26 114.06 1ujv h ALA 9 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.52 1ujv h ALA 9 Cb 0.81 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1ujv h ALA 9 CO 0.85 0.00 -1.04 -1.91 0.00 0.00 0.00 179.25 177.15 1ujv n GLU 10 N -2.63 -1.84 -3.03 0.00 2.13 -1.26 -4.87 120.64 109.13 1ujv n GLU 10 Ca 0.00 1.32 -0.20 0.00 0.66 0.00 0.00 57.16 58.94 1ujv n GLU 10 Cb 0.19 -2.72 0.01 0.00 0.27 0.00 0.00 31.44 29.20 1ujv n GLU 10 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ujv s LEU 11 N -3.27 3.64 -0.31 4.31 1.02 -1.26 -2.48 118.68 120.33 1ujv s LEU 11 Ca 0.24 -0.09 -0.09 0.00 0.02 0.00 0.00 54.13 54.21 1ujv s LEU 11 Cb -0.03 -2.85 -0.00 0.00 0.02 0.00 0.00 46.19 43.33 1ujv s LEU 11 CO 0.86 -0.76 0.14 -0.04 0.02 0.00 0.00 176.35 176.58 1ujv s MET 12 N -4.45 3.23 0.28 1.70 -1.94 -0.43 -4.54 119.30 113.15 1ujv s MET 12 Ca 0.51 -0.78 -0.29 0.00 -1.71 0.00 0.00 55.69 53.42 1ujv s MET 12 Cb -0.10 -3.53 -0.09 0.00 2.01 0.00 0.00 34.83 33.12 1ujv s MET 12 CO 0.35 -0.45 1.03 0.99 -0.01 0.00 0.00 175.02 176.93 1ujv s THR 13 N 1.58 3.76 0.18 2.05 2.01 -1.26 -0.93 115.64 123.03 1ujv s THR 13 Ca 0.04 1.70 -0.02 0.00 0.31 0.00 0.00 61.69 63.73 1ujv s THR 13 Cb -0.17 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1ujv s THR 13 CO 0.05 0.36 0.12 -0.76 -0.69 0.00 0.00 174.62 173.70 1ujv s LEU 14 N -1.52 1.30 0.08 4.42 1.43 -0.04 -4.98 118.68 119.37 1ujv s LEU 14 Ca 0.45 -1.31 0.08 0.00 -1.03 0.00 0.00 54.13 52.32 1ujv s LEU 14 Cb -0.28 0.42 -0.03 0.00 0.03 0.00 0.00 46.19 46.33 1ujv s LEU 14 CO 0.35 -0.82 -0.21 -0.89 0.23 0.00 0.00 176.35 175.02 1ujv s THR 15 N -4.12 1.67 0.19 5.49 2.01 -1.26 -1.44 115.64 118.19 1ujv s THR 15 Ca 0.34 -1.38 0.04 0.00 0.31 0.00 0.00 61.69 60.99 1ujv s THR 15 Cb 0.07 -1.49 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 1ujv s THR 15 CO 0.09 0.05 -0.04 0.27 -0.69 0.00 0.00 174.62 174.30 1ujv s ILE 16 N -1.00 1.01 -0.01 1.82 -4.36 -0.49 -4.07 121.20 114.10 1ujv s ILE 16 Ca 0.07 -2.03 0.01 0.00 -0.26 0.00 0.00 60.65 58.44 1ujv s ILE 16 Cb -0.09 -2.13 0.00 0.00 1.25 0.00 0.00 42.46 41.48 1ujv s ILE 16 CO 0.03 -0.50 -0.05 -0.69 0.24 0.00 0.00 174.94 173.98 1ujv s VAL 17 N -3.43 0.40 -0.90 8.37 1.01 0.10 -0.30 120.40 125.64 1ujv s VAL 17 Ca 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.00 1ujv s VAL 17 Cb 0.05 -0.36 0.22 0.00 0.00 0.00 0.00 36.38 36.29 1ujv s VAL 17 CO 0.05 0.13 0.80 -0.75 0.00 0.00 0.00 175.10 175.33 1ujv s LYS 18 N 0.12 3.38 0.00 2.72 2.20 -1.14 -4.67 119.74 122.36 1ujv s LYS 18 Ca -0.01 -3.15 0.00 0.00 -0.36 0.00 0.00 55.97 52.45 1ujv s LYS 18 Cb -0.05 -4.06 0.00 0.00 -1.51 0.00 0.00 37.83 32.21 1ujv s LYS 18 CO -0.00 -1.25 0.57 0.41 -0.36 0.00 0.00 175.35 174.71 1ujv n GLY 19 N 2.60 -3.34 2.09 5.54 0.00 -1.26 -0.05 105.19 110.77 1ujv n GLY 19 Ca 0.20 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -1.04 1.83 -0.86 4.61 0.00 -1.26 -4.23 120.51 119.56 1ujv n ALA 20 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1ujv n ALA 20 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ujv n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ujv n GLN 21 N -3.47 1.64 -2.63 0.00 10.64 -1.26 -4.73 117.38 117.57 1ujv n GLN 21 Ca 0.00 -0.87 -0.03 0.00 -1.83 0.00 0.00 57.00 54.26 1ujv n GLN 21 Cb 0.00 -1.58 0.00 0.00 -0.86 0.00 0.00 30.24 27.80 1ujv n GLN 21 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ujv n GLY 22 N 1.60 -1.10 5.10 2.61 0.00 -1.26 -4.29 105.19 107.85 1ujv n GLY 22 Ca 0.26 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.91 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 -0.98 0.00 0.00 1.61 3.01 -1.26 -4.49 117.46 115.35 1ujv n PHE 23 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1ujv n PHE 23 Cb 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 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 0.98 3.57 1.37 0.00 -1.26 -4.39 105.19 105.46 1ujv n GLY 24 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 1.50 0.09 1.61 -0.71 -1.26 -4.44 117.98 114.77 1ujv s PHE 25 Ca 0.00 1.40 0.10 0.00 -1.04 0.00 0.00 56.93 57.40 1ujv s PHE 25 Cb 0.00 -3.19 -0.03 0.00 -1.21 0.00 0.00 43.02 38.59 1ujv s PHE 25 CO 0.00 -3.41 -0.26 0.95 -1.34 0.00 0.00 175.22 171.15 1ujv s THR 26 N -2.56 2.24 0.31 -4.49 -4.23 -0.68 -4.89 115.64 101.34 1ujv s THR 26 Ca 0.67 -1.58 0.09 0.00 -1.18 0.00 0.00 61.69 59.69 1ujv s THR 26 Cb -0.24 -1.94 -0.05 0.00 1.34 0.00 0.00 72.50 71.62 1ujv s THR 26 CO 0.62 0.22 0.04 0.27 -0.54 0.00 0.00 174.62 175.23 1ujv s ILE 27 N -0.95 3.12 0.14 2.99 -4.36 -1.26 -1.09 121.20 119.79 1ujv s ILE 27 Ca 0.13 -1.86 0.05 0.00 -0.26 0.00 0.00 60.65 58.71 1ujv s ILE 27 Cb -0.10 -2.87 -0.04 0.00 1.25 0.00 0.00 42.46 40.70 1ujv s ILE 27 CO 0.04 -0.28 -0.12 0.00 0.24 0.00 0.00 174.94 174.83 1ujv s ALA 28 N -2.40 1.49 0.45 2.27 0.00 0.74 -4.61 121.76 119.70 1ujv s ALA 28 Ca 0.34 -1.41 -0.22 0.00 0.00 0.00 0.00 51.96 50.67 1ujv s ALA 28 Cb -0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.99 1ujv s ALA 28 CO 0.21 -0.01 1.05 0.34 0.00 0.00 0.00 175.76 177.35 1ujv s ASP 29 N -2.88 6.48 0.12 0.00 -1.08 -1.26 -1.52 116.67 116.53 1ujv s ASP 29 Ca 0.14 2.01 0.00 0.00 -0.52 0.00 0.00 52.55 54.18 1ujv s ASP 29 Cb -0.01 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.84 1ujv s ASP 29 CO 0.02 -0.68 -0.01 -0.94 0.52 0.00 0.00 175.17 174.08 1ujv s SER 30 N -1.76 0.80 0.00 -0.34 1.04 -0.96 -4.84 113.70 107.65 1ujv s SER 30 Ca 0.63 -1.11 0.03 0.00 0.48 0.00 0.00 55.95 55.98 1ujv s SER 30 Cb -0.20 0.18 0.18 0.00 0.10 0.00 0.00 66.02 66.28 1ujv s SER 30 CO 0.24 -0.59 0.60 -0.81 0.98 0.00 0.00 173.24 173.66 1ujv n PRO 31 N -0.08 0.11 0.00 4.02 -0.04 -1.26 -2.79 135.00 134.95 1ujv n PRO 31 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1ujv n PRO 31 Cb 0.62 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1ujv n PRO 31 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ujv n THR 32 N -0.93 0.00 0.00 0.52 -2.24 -1.26 -5.13 114.28 105.24 1ujv n THR 32 Ca 0.02 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1ujv n THR 32 Cb 0.01 1.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 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 0.04 1.08 3.82 3.38 0.00 -1.12 -4.92 105.19 107.46 1ujv n GLY 33 Ca 0.00 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.07 3.61 0.09 1.61 -1.52 -1.26 -2.26 119.66 118.85 1ujv s GLN 34 Ca 0.00 1.07 -0.10 0.00 -1.95 0.00 0.00 55.36 54.38 1ujv s GLN 34 Cb 0.00 -2.08 0.01 0.00 -0.22 0.00 0.00 33.01 30.72 1ujv s GLN 34 CO 0.00 -0.56 0.23 1.03 -0.25 0.00 0.00 175.29 175.74 1ujv s ARG 35 N -4.12 0.89 -0.34 2.91 0.52 -0.58 -1.39 118.95 116.83 1ujv s ARG 35 Ca 0.61 -0.89 -0.29 0.00 -0.52 0.00 0.00 55.73 54.64 1ujv s ARG 35 Cb -0.13 0.37 0.02 0.00 0.52 0.00 0.00 34.95 35.73 1ujv s ARG 35 CO 0.35 -0.30 1.07 0.08 0.02 0.00 0.00 175.30 176.52 1ujv s VAL 36 N -3.81 4.48 0.04 3.52 1.01 -1.26 -0.18 120.40 124.19 1ujv s VAL 36 Ca 0.04 1.62 -0.19 0.00 0.00 0.00 0.00 61.98 63.46 1ujv s VAL 36 Cb 0.04 -4.43 -0.17 0.00 0.00 0.00 0.00 36.38 31.81 1ujv s VAL 36 CO -0.11 -0.56 1.24 0.50 0.00 0.00 0.00 175.10 176.17 1ujv h LYS 37 N 8.28 0.48 -2.67 2.72 1.63 -1.36 -2.54 116.57 123.10 1ujv h LYS 37 Ca -0.21 -0.37 0.04 0.00 -0.85 0.00 0.00 60.65 59.26 1ujv h LYS 37 Cb 1.06 0.07 -0.13 0.00 -0.60 0.00 0.00 32.23 32.63 1ujv h LYS 37 CO 1.04 1.00 0.34 -1.14 -3.45 0.00 0.00 179.45 177.24 1ujv s GLN 38 N -3.75 1.09 -0.29 1.90 0.74 -1.14 -4.93 119.66 113.27 1ujv s GLN 38 Ca -0.13 -0.41 0.02 0.00 0.05 0.00 0.00 55.36 54.88 1ujv s GLN 38 Cb 0.05 0.49 0.08 0.00 1.10 0.00 0.00 33.01 34.74 1ujv s GLN 38 CO 0.81 -0.48 0.01 0.42 -0.55 0.00 0.00 175.29 175.51 1ujv s ILE 39 N -3.47 1.69 -1.59 -2.34 1.01 -1.26 -1.69 121.20 113.55 1ujv s ILE 39 Ca 0.03 -1.69 0.17 0.00 0.00 0.00 0.00 60.65 59.16 1ujv s ILE 39 Cb -0.01 -2.12 0.01 0.00 0.01 0.00 0.00 42.46 40.35 1ujv s ILE 39 CO -0.11 -0.40 0.89 0.18 0.00 0.00 0.00 174.94 175.51 1ujv n LEU 40 N 4.54 1.74 -3.45 2.97 7.99 -1.26 -4.56 117.00 124.97 1ujv n LEU 40 Ca -0.04 -0.79 -0.24 0.00 -0.01 0.00 0.00 56.01 54.93 1ujv n LEU 40 Cb 0.43 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.62 1ujv n LEU 40 CO 0.18 0.33 -0.25 -0.62 -1.51 0.00 0.00 177.39 175.52 1ujv s ASP 41 N -1.91 2.49 0.12 -1.43 2.15 -1.26 -4.74 116.67 112.09 1ujv s ASP 41 Ca 0.14 -1.36 -0.14 0.00 0.43 0.00 0.00 52.55 51.62 1ujv s ASP 41 Cb 0.14 0.04 -0.04 0.00 -0.30 0.00 0.00 42.92 42.75 1ujv s ASP 41 CO 0.40 -0.37 1.50 0.40 -0.17 0.00 0.00 175.17 176.93 1ujv h ILE 42 N 5.86 1.28 -0.20 4.11 2.04 -1.86 -2.72 117.51 126.02 1ujv h ILE 42 Ca -0.09 -1.28 -0.09 0.00 1.00 0.00 0.00 64.86 64.40 1ujv h ILE 42 Cb 1.03 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.43 1ujv h ILE 42 CO 0.33 0.42 -0.25 1.56 0.00 0.00 0.00 178.15 180.21 1ujv h GLN 43 N 0.55 0.37 0.00 2.37 1.08 -1.99 -1.31 115.11 116.19 1ujv h GLN 43 Ca 0.08 -0.13 -0.02 0.00 -1.45 0.00 0.00 58.65 57.13 1ujv h GLN 43 Cb 0.71 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1ujv h GLN 43 CO 0.05 0.61 -0.09 0.78 -0.95 0.00 0.00 178.83 179.23 1ujv h GLY 44 N 1.01 0.00 -6.03 3.46 0.00 -1.84 -3.38 103.07 96.29 1ujv h GLY 44 Ca 0.05 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.81 1ujv h GLY 44 CO 0.04 0.00 -0.85 0.00 0.00 0.00 0.00 176.54 175.74 1ujv s PRO 46 N -2.02 2.99 0.00 0.00 0.04 -1.11 -3.06 135.00 131.84 1ujv s PRO 46 Ca 0.39 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.28 1ujv s PRO 46 Cb 0.18 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.77 1ujv s PRO 46 CO -0.06 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 176.19 1ujv n GLY 47 N 0.53 1.32 3.73 0.56 0.00 -1.26 -4.60 105.19 105.47 1ujv n GLY 47 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 4.09 -4.33 0.99 7.94 -1.17 -5.03 117.00 119.48 1ujv n LEU 48 Ca 0.00 1.16 -0.18 0.00 -1.11 0.00 0.00 56.01 55.89 1ujv n LEU 48 Cb 0.00 -1.55 -0.10 0.00 0.53 0.00 0.00 43.42 42.30 1ujv n LEU 48 CO 0.00 -0.04 -0.42 0.00 -1.11 0.00 0.00 177.39 175.82 1ujv s GLU 50 N -3.68 4.55 -1.01 0.00 2.02 -1.26 -3.35 118.70 115.97 1ujv s GLU 50 Ca 0.22 1.94 -0.00 0.00 0.02 0.00 0.00 54.97 57.15 1ujv s GLU 50 Cb 0.01 -3.15 -0.00 0.00 0.10 0.00 0.00 34.13 31.08 1ujv s GLU 50 CO 0.06 0.08 0.84 0.41 0.02 0.00 0.00 175.26 176.67 1ujv n GLY 51 N 1.10 -0.23 0.00 -1.39 0.00 -0.96 -4.95 105.19 98.76 1ujv n GLY 51 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.11 -3.58 1.61 5.75 -1.21 -4.95 116.55 110.28 1ujv n ASP 52 Ca -0.24 -0.16 -0.15 0.00 -0.01 0.00 0.00 54.79 54.23 1ujv n ASP 52 Cb 0.64 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.61 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 -0.27 0.01 -2.12 1.98 -1.25 -4.67 118.68 112.36 1ujv s LEU 53 Ca 0.00 0.30 -0.30 0.00 -2.89 0.00 0.00 54.13 51.23 1ujv s LEU 53 Cb 0.00 0.64 -0.06 0.00 0.66 0.00 0.00 46.19 47.43 1ujv s LEU 53 CO 0.00 -0.27 1.39 -0.63 -1.89 0.00 0.00 176.35 174.95 1ujv s ILE 54 N 2.40 3.70 0.09 6.68 -1.09 -0.49 -0.80 121.20 131.70 1ujv s ILE 54 Ca 0.04 1.10 0.00 0.00 -2.23 0.00 0.00 60.65 59.56 1ujv s ILE 54 Cb -0.14 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 1ujv s ILE 54 CO -0.10 0.01 0.00 0.52 -1.23 0.00 0.00 174.94 174.13 1ujv n VAL 55 N 4.60 0.74 -4.19 2.92 0.31 -0.80 -4.35 118.33 117.56 1ujv n VAL 55 Ca 0.13 0.25 -0.16 0.00 -0.01 0.00 0.00 64.34 64.54 1ujv n VAL 55 Cb 0.44 -1.42 -0.13 0.00 -0.91 0.00 0.00 33.84 31.82 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 0.64 -0.07 5.55 2.02 -0.94 -0.69 118.70 123.21 1ujv s GLU 56 Ca 0.00 -0.60 -0.00 0.00 0.02 0.00 0.00 54.97 54.38 1ujv s GLU 56 Cb 0.00 -0.55 0.03 0.00 0.10 0.00 0.00 34.13 33.71 1ujv s GLU 56 CO 0.00 0.13 -0.03 0.42 0.02 0.00 0.00 175.26 175.80 1ujv s ILE 57 N -0.86 0.52 -1.20 -1.63 1.01 -0.30 -0.77 121.20 117.97 1ujv s ILE 57 Ca -0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 1ujv s ILE 57 Cb -0.07 -0.60 0.04 0.00 0.01 0.00 0.00 42.46 41.84 1ujv s ILE 57 CO 0.01 0.26 0.33 0.59 0.00 0.00 0.00 174.94 176.13 1ujv n ASN 58 N 4.69 -3.92 -0.15 3.58 3.02 0.55 -0.67 115.26 122.36 1ujv n ASN 58 Ca -0.15 -0.17 -0.02 0.00 -0.03 0.00 0.00 54.58 54.21 1ujv n ASN 58 Cb 0.50 -3.26 -0.01 0.00 -0.61 0.00 0.00 39.78 36.40 1ujv n ASN 58 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1ujv n GLN 59 N -3.43 -1.18 -3.20 3.52 7.27 -1.26 -5.03 117.38 114.07 1ujv n GLN 59 Ca -0.06 0.40 -0.39 0.00 0.07 0.00 0.00 57.00 57.02 1ujv n GLN 59 Cb 0.57 -4.34 -0.05 0.00 2.41 0.00 0.00 30.24 28.82 1ujv n GLN 59 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1ujv s GLN 60 N -1.50 4.35 0.21 3.69 0.74 0.16 -5.08 119.66 122.22 1ujv s GLN 60 Ca 0.00 0.68 -0.30 0.00 0.05 0.00 0.00 55.36 55.79 1ujv s GLN 60 Cb 0.00 -3.40 -0.08 0.00 1.10 0.00 0.00 33.01 30.63 1ujv s GLN 60 CO 0.00 0.23 0.94 1.21 -0.55 0.00 0.00 175.29 177.12 1ujv s ASN 61 N 0.30 7.61 -0.01 6.67 3.84 -1.26 -1.15 114.94 130.94 1ujv s ASN 61 Ca 0.31 1.91 0.01 0.00 0.21 0.00 0.00 52.86 55.30 1ujv s ASN 61 Cb -0.17 -2.60 0.02 0.00 -0.55 0.00 0.00 41.25 37.95 1ujv s ASN 61 CO 0.15 0.11 0.75 1.33 -2.79 0.00 0.00 177.10 176.65 1ujv n VAL 62 N 1.78 0.26 0.29 -5.21 0.24 0.13 -4.88 118.33 110.94 1ujv n VAL 62 Ca -0.01 -0.29 0.15 0.00 -2.04 0.00 0.00 64.34 62.15 1ujv n VAL 62 Cb 0.48 0.71 0.88 0.00 -1.47 0.00 0.00 33.84 34.43 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 -0.01 7.34 4.20 -1.74 -2.90 115.11 122.01 1ujv h GLN 63 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1ujv h GLN 63 Cb 1.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 1ujv h GLN 63 CO 0.00 0.05 -0.51 0.09 -0.67 0.00 0.00 178.83 177.78 1ujv n ASN 64 N -3.66 1.73 -4.98 1.46 3.02 -1.26 -4.58 115.26 106.99 1ujv n ASN 64 Ca -0.02 -3.87 -0.20 0.00 -0.03 0.00 0.00 54.58 50.45 1ujv n ASN 64 Cb 0.14 -0.52 -0.00 0.00 -0.61 0.00 0.00 39.78 38.79 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 -3.18 3.89 0.57 3.41 1.43 -1.10 -5.13 118.68 118.57 1ujv s LEU 65 Ca 0.38 -0.04 -0.07 0.00 -1.03 0.00 0.00 54.13 53.37 1ujv s LEU 65 Cb 0.37 -2.87 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 1ujv s LEU 65 CO -0.07 -0.50 0.91 -0.44 0.23 0.00 0.00 176.35 176.47 1ujv s SER 66 N -4.18 5.89 0.15 2.29 0.01 -1.26 -4.82 113.70 111.77 1ujv s SER 66 Ca 0.46 0.94 -0.30 0.00 1.31 0.00 0.00 55.95 58.36 1ujv s SER 66 Cb -0.10 -2.02 -0.05 0.00 0.21 0.00 0.00 66.02 64.06 1ujv s SER 66 CO 0.33 -0.91 1.56 -0.74 0.41 0.00 0.00 173.24 173.89 1ujv h HIS 67 N -0.13 -1.51 -0.98 2.43 -0.00 -1.97 -1.93 115.15 111.06 1ujv h HIS 67 Ca -0.46 0.08 0.04 0.00 -0.00 0.00 0.00 60.37 60.03 1ujv h HIS 67 Cb 1.23 0.73 -0.06 0.00 -0.00 0.00 0.00 27.41 29.31 1ujv h HIS 67 CO 0.54 -0.46 0.64 1.15 -0.00 0.00 0.00 177.93 179.79 1ujv h THR 68 N -0.33 1.16 -0.36 6.26 2.02 -1.98 0.03 112.91 119.71 1ujv h THR 68 Ca 0.12 -0.42 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 1ujv h THR 68 Cb 0.58 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 1ujv h THR 68 CO -0.63 0.22 0.03 -0.33 0.37 0.00 0.00 175.52 175.19 1ujv h GLU 69 N 1.22 0.61 -0.70 6.66 4.39 -1.84 0.17 114.58 125.10 1ujv h GLU 69 Ca 0.39 -0.18 -0.07 0.00 0.34 0.00 0.00 59.36 59.84 1ujv h GLU 69 Cb 0.02 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1ujv h GLU 69 CO -0.13 0.70 0.16 0.28 -1.16 0.00 0.00 179.01 178.86 1ujv h VAL 70 N 0.44 1.26 -0.83 3.13 2.07 -0.58 -0.08 116.25 121.66 1ujv h VAL 70 Ca 0.11 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 1ujv h VAL 70 Cb 0.41 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 1ujv h VAL 70 CO 0.01 0.38 0.42 0.58 0.02 0.00 0.00 177.57 178.97 1ujv h VAL 71 N 1.06 1.25 -0.12 2.57 2.07 -0.75 -1.82 116.25 120.52 1ujv h VAL 71 Ca 0.22 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1ujv h VAL 71 Cb 0.38 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1ujv h VAL 71 CO 0.00 0.30 0.06 -0.78 0.02 0.00 0.00 177.57 177.17 1ujv h ASP 72 N 1.17 0.15 -0.63 0.57 1.82 0.19 0.18 116.42 119.89 1ujv h ASP 72 Ca 0.29 -0.12 0.01 0.00 -0.39 0.00 0.00 57.03 56.81 1ujv h ASP 72 Cb 0.09 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 40.03 1ujv h ASP 72 CO -0.04 0.23 0.41 0.40 -1.61 0.00 0.00 179.24 178.64 1ujv h ILE 73 N 0.06 1.16 0.00 2.25 2.04 -0.97 -0.87 117.51 121.18 1ujv h ILE 73 Ca 0.04 -0.30 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 1ujv h ILE 73 Cb 0.12 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1ujv h ILE 73 CO -0.01 0.16 -0.32 -0.07 0.00 0.00 0.00 178.15 177.91 1ujv h LEU 74 N 0.85 0.00 -0.37 1.44 3.38 -1.04 -2.53 115.31 117.05 1ujv h LEU 74 Ca 0.23 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 1ujv h LEU 74 Cb -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ujv h LEU 74 CO -0.05 0.32 0.04 0.11 0.09 0.00 0.00 178.44 178.95 1ujv h LYS 75 N 0.00 0.62 0.00 1.13 1.57 0.65 -3.07 116.57 117.47 1ujv h LYS 75 Ca -0.00 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 1ujv h LYS 75 Cb 0.70 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1ujv h LYS 75 CO 0.04 0.71 -0.14 0.22 -0.57 0.00 0.00 179.45 179.71 1ujv h ASP 76 N 0.46 0.00 -2.48 0.86 3.58 -0.85 -3.44 116.42 114.55 1ujv h ASP 76 Ca 0.11 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 56.96 1ujv h ASP 76 Cb 0.40 0.00 0.08 0.00 1.72 0.00 0.00 39.33 41.53 1ujv h ASP 76 CO 0.01 0.14 0.57 0.00 -2.88 0.00 0.00 179.24 177.07 1ujv s PRO 78 N -0.26 4.35 0.04 0.00 0.04 -1.26 -4.95 135.00 132.97 1ujv s PRO 78 Ca 0.70 2.15 -0.31 0.00 0.04 0.00 0.00 61.00 63.59 1ujv s PRO 78 Cb -0.70 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 30.63 1ujv s PRO 78 CO 0.49 -0.30 1.34 0.42 0.04 0.00 0.00 177.00 178.99 1ujv s ILE 79 N -0.05 3.69 -0.27 0.56 -1.09 -1.26 -2.89 121.20 119.90 1ujv s ILE 79 Ca 0.57 1.16 0.00 0.00 -2.23 0.00 0.00 60.65 60.15 1ujv s ILE 79 Cb -0.39 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1ujv s ILE 79 CO 0.41 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.78 1ujv n GLY 80 N 3.49 0.41 3.96 6.18 0.00 0.93 -4.93 105.19 115.23 1ujv n GLY 80 Ca 0.12 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.16 5.49 0.44 1.61 0.01 -1.14 -4.75 113.70 113.20 1ujv s SER 81 Ca 0.00 0.19 -0.21 0.00 1.31 0.00 0.00 55.95 57.24 1ujv s SER 81 Cb 0.00 -1.21 -0.10 0.00 0.21 0.00 0.00 66.02 64.92 1ujv s SER 81 CO 0.00 -0.99 0.99 -1.61 0.41 0.00 0.00 173.24 172.04 1ujv s GLU 82 N -4.73 4.10 -0.07 12.44 8.01 -1.26 -2.89 118.70 134.31 1ujv s GLU 82 Ca 0.54 1.26 0.01 0.00 0.01 0.00 0.00 54.97 56.78 1ujv s GLU 82 Cb -0.10 -2.23 0.02 0.00 -4.31 0.00 0.00 34.13 27.50 1ujv s GLU 82 CO 0.39 -0.15 -0.07 0.99 0.01 0.00 0.00 175.26 176.42 1ujv s THR 83 N -2.02 0.84 -0.35 3.63 2.01 0.59 -4.92 115.64 115.42 1ujv s THR 83 Ca 0.62 -0.25 -0.13 0.00 0.31 0.00 0.00 61.69 62.25 1ujv s THR 83 Cb -0.14 -0.83 -0.00 0.00 0.01 0.00 0.00 72.50 71.54 1ujv s THR 83 CO 0.18 0.31 0.24 -0.44 -0.69 0.00 0.00 174.62 174.21 1ujv s SER 84 N 1.14 5.95 0.19 3.53 0.01 -1.26 -1.40 113.70 121.85 1ujv s SER 84 Ca -0.07 -0.61 0.11 0.00 1.31 0.00 0.00 55.95 56.69 1ujv s SER 84 Cb -0.14 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 63.94 1ujv s SER 84 CO -0.01 -0.29 -0.23 -0.76 0.41 0.00 0.00 173.24 172.35 1ujv s LEU 85 N 1.68 2.47 -0.03 2.44 1.02 -0.52 -0.33 118.68 125.40 1ujv s LEU 85 Ca 0.05 -0.83 0.03 0.00 0.02 0.00 0.00 54.13 53.40 1ujv s LEU 85 Cb -0.18 -1.21 -0.00 0.00 0.02 0.00 0.00 46.19 44.82 1ujv s LEU 85 CO 0.09 0.13 -0.13 -0.63 0.02 0.00 0.00 176.35 175.83 1ujv s ILE 86 N -1.62 1.06 0.11 -0.59 1.01 0.06 -0.86 121.20 120.37 1ujv s ILE 86 Ca 0.20 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1ujv s ILE 86 Cb -0.08 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 1ujv s ILE 86 CO 0.10 0.31 -0.15 0.27 0.00 0.00 0.00 174.94 175.47 1ujv s ILE 87 N 0.05 1.34 -0.54 2.92 -5.25 -0.10 -1.90 121.20 117.71 1ujv s ILE 87 Ca -0.02 -1.62 -0.23 0.00 -0.99 0.00 0.00 60.65 57.78 1ujv s ILE 87 Cb -0.09 -1.45 0.04 0.00 2.95 0.00 0.00 42.46 43.91 1ujv s ILE 87 CO 0.01 -0.34 0.90 -1.00 -1.79 0.00 0.00 174.94 172.72 1ujv s HIS 88 N -1.86 2.83 0.08 1.37 3.76 0.02 -1.31 115.29 120.18 1ujv s HIS 88 Ca 0.07 -0.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.91 1ujv s HIS 88 Cb -0.06 -3.99 0.00 0.00 1.11 0.00 0.00 32.58 29.63 1ujv s HIS 88 CO 0.03 -1.30 0.00 -2.13 -0.85 0.00 0.00 174.74 170.50 1ujv n ARG 89 N 7.27 0.00 0.00 1.40 0.63 -1.26 -3.83 116.66 120.87 1ujv n ARG 89 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 1ujv n ARG 89 Cb 0.47 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.38 1ujv n ARG 89 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ujv n GLY 90 N -1.37 0.41 0.00 5.14 0.00 -1.03 -4.25 105.19 104.09 1ujv n GLY 90 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1ujv n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujv n SER 91 N -0.32 0.00 -0.71 1.61 7.64 -1.26 -4.81 113.62 115.77 1ujv n SER 91 Ca 0.00 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.60 1ujv n SER 91 Cb 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 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 0.49 -0.58 2.34 0.23 0.00 -1.26 -4.12 105.19 102.29 1ujv n GLY 92 Ca 0.00 -0.98 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.43 3.41 -2.09 1.61 -0.04 -1.26 -4.90 135.00 130.30 1ujv n PRO 93 Ca 0.00 -2.05 -0.42 0.00 -0.04 0.00 0.00 63.50 60.99 1ujv n PRO 93 Cb 0.00 -2.72 -0.03 0.00 -0.04 0.00 0.00 33.50 30.71 1ujv n PRO 93 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ujv s SER 94 N 2.34 5.87 0.38 3.54 0.15 -1.26 -4.60 113.70 120.12 1ujv s SER 94 Ca 0.65 0.98 0.00 0.00 0.70 0.00 0.00 55.95 58.28 1ujv s SER 94 Cb 0.17 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 1ujv s SER 94 CO -0.05 -1.78 0.00 -1.20 1.20 0.00 0.00 173.24 171.40 1ujv n SER 95 N 10.44 -6.52 0.00 5.45 7.64 -1.26 -5.20 113.62 124.17 1ujv n SER 95 Ca 0.21 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1ujv n SER 95 Cb 0.48 -3.57 0.00 0.00 -1.01 0.00 0.00 64.21 60.11 1ujv n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64