#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 0.17 0.19 1.61 0.01 -1.26 -5.12 113.70 109.30 1ujv s SER 2 Ca 0.00 -0.87 0.02 0.00 1.31 0.00 0.00 55.95 56.41 1ujv s SER 2 Cb 0.00 0.35 -0.05 0.00 0.21 0.00 0.00 66.02 66.53 1ujv s SER 2 CO 0.00 -0.77 0.01 -0.94 0.41 0.00 0.00 173.24 171.95 1ujv s SER 3 N -2.94 1.27 0.02 2.44 1.04 -1.26 -5.16 113.70 109.11 1ujv s SER 3 Ca 0.13 -1.20 -0.13 0.00 0.48 0.00 0.00 55.95 55.24 1ujv s SER 3 Cb 0.05 0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.33 1ujv s SER 3 CO -0.05 -0.58 0.58 0.61 0.98 0.00 0.00 173.24 174.79 1ujv n GLY 4 N -0.28 0.59 0.00 7.32 0.00 -1.26 -4.97 105.19 106.59 1ujv n GLY 4 Ca -0.06 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1ujv n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujv n SER 5 N -0.70 0.00 0.30 1.61 2.88 -1.26 -4.88 113.62 111.57 1ujv n SER 5 Ca 0.01 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.73 1ujv n SER 5 Cb 0.28 0.00 0.99 0.00 -0.75 0.00 0.00 64.21 64.73 1ujv n SER 5 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1ujv h SER 6 N 0.00 0.00 0.00 -3.46 0.02 -2.04 -3.46 113.55 104.60 1ujv h SER 6 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ujv h SER 6 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ujv h SER 6 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 1ujv n GLY 7 N -1.26 2.57 3.17 -3.77 0.00 -1.26 -4.81 105.19 99.83 1ujv n GLY 7 Ca -0.03 -0.41 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 1ujv n GLY 7 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ujv s GLN 8 N 0.00 0.86 -0.41 1.61 -2.07 -1.26 -5.14 119.66 113.25 1ujv s GLN 8 Ca 0.00 -1.27 0.03 0.00 -1.82 0.00 0.00 55.36 52.30 1ujv s GLN 8 Cb 0.00 0.27 0.16 0.00 -1.09 0.00 0.00 33.01 32.35 1ujv s GLN 8 CO 0.00 -0.24 0.37 0.00 -1.32 0.00 0.00 175.29 174.10 1ujv s ALA 9 N -3.97 0.51 -0.78 2.60 0.00 -1.26 -4.80 121.76 114.06 1ujv s ALA 9 Ca 0.15 -1.80 -0.26 0.00 0.00 0.00 0.00 51.96 50.05 1ujv s ALA 9 Cb 0.07 -1.82 0.04 0.00 0.00 0.00 0.00 23.12 21.40 1ujv s ALA 9 CO -0.04 -2.07 1.28 -1.21 0.00 0.00 0.00 175.76 173.72 1ujv s GLU 10 N 0.61 3.25 0.20 0.00 2.02 -1.26 -4.97 118.70 118.56 1ujv s GLU 10 Ca 0.27 -0.45 -0.32 0.00 0.02 0.00 0.00 54.97 54.49 1ujv s GLU 10 Cb -0.05 -4.37 -0.14 0.00 0.10 0.00 0.00 34.13 29.66 1ujv s GLU 10 CO -0.11 -2.13 1.42 1.28 0.02 0.00 0.00 175.26 175.75 1ujv n LEU 11 N 9.12 2.85 -4.89 1.80 7.99 -1.26 -4.19 117.00 128.42 1ujv n LEU 11 Ca 0.07 1.13 -0.29 0.00 -0.01 0.00 0.00 56.01 56.91 1ujv n LEU 11 Cb 0.49 -1.39 -0.03 0.00 -0.11 0.00 0.00 43.42 42.38 1ujv n LEU 11 CO 0.69 -0.56 0.34 -0.04 -1.51 0.00 0.00 177.39 176.32 1ujv s MET 12 N -0.04 3.67 -0.21 3.23 -1.94 -0.88 -4.96 119.30 118.18 1ujv s MET 12 Ca 0.72 0.21 -0.03 0.00 -1.71 0.00 0.00 55.69 54.89 1ujv s MET 12 Cb -0.69 -2.49 0.06 0.00 2.01 0.00 0.00 34.83 33.72 1ujv s MET 12 CO 0.47 0.03 0.05 0.99 -0.01 0.00 0.00 175.02 176.55 1ujv s THR 13 N -2.33 0.50 0.43 2.05 2.01 -1.26 -1.32 115.64 115.73 1ujv s THR 13 Ca 0.47 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.92 1ujv s THR 13 Cb -0.10 -1.06 0.01 0.00 0.01 0.00 0.00 72.50 71.36 1ujv s THR 13 CO 0.33 -0.27 0.59 -0.76 -0.69 0.00 0.00 174.62 173.83 1ujv s LEU 14 N 1.86 3.64 0.05 4.42 1.43 -0.10 -4.96 118.68 125.03 1ujv s LEU 14 Ca 0.00 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1ujv s LEU 14 Cb -0.17 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 1ujv s LEU 14 CO -0.10 -0.78 -0.08 -0.89 0.23 0.00 0.00 176.35 174.73 1ujv s THR 15 N -2.40 0.64 -0.08 5.49 2.01 -1.26 -1.03 115.64 119.01 1ujv s THR 15 Ca 0.54 -1.23 -0.04 0.00 0.31 0.00 0.00 61.69 61.28 1ujv s THR 15 Cb -0.10 -0.82 0.04 0.00 0.01 0.00 0.00 72.50 71.64 1ujv s THR 15 CO 0.34 -0.43 0.18 0.27 -0.69 0.00 0.00 174.62 174.28 1ujv s ILE 16 N -1.67 -0.09 -0.23 1.82 -4.36 0.03 -3.92 121.20 112.79 1ujv s ILE 16 Ca -0.06 0.20 -0.05 0.00 -0.26 0.00 0.00 60.65 60.48 1ujv s ILE 16 Cb -0.08 -0.29 -0.02 0.00 1.25 0.00 0.00 42.46 43.32 1ujv s ILE 16 CO 0.00 0.08 0.01 0.54 0.24 0.00 0.00 174.94 175.81 1ujv s VAL 17 N 1.40 3.86 -0.06 8.37 0.11 -0.56 0.22 120.40 133.73 1ujv s VAL 17 Ca -0.07 -0.33 -0.32 0.00 -2.93 0.00 0.00 61.98 58.33 1ujv s VAL 17 Cb -0.11 -2.78 -0.10 0.00 -1.53 0.00 0.00 36.38 31.86 1ujv s VAL 17 CO -0.07 0.39 1.99 0.29 -3.33 0.00 0.00 175.10 174.37 1ujv n LYS 18 N 4.74 2.41 0.00 1.54 5.02 -1.23 -4.45 118.16 126.18 1ujv n LYS 18 Ca -0.17 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1ujv n LYS 18 Cb 0.51 -2.88 0.00 0.00 -0.02 0.00 0.00 35.03 32.64 1ujv n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ujv n GLY 19 N 4.76 -0.43 3.40 0.72 0.00 -1.26 -0.48 105.19 111.90 1ujv n GLY 19 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 1ujv n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujv s ALA 20 N -3.18 -0.16 0.00 4.61 0.00 -1.26 -4.38 121.76 117.39 1ujv s ALA 20 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1ujv s ALA 20 Cb 0.00 0.90 0.00 0.00 0.00 0.00 0.00 23.12 24.02 1ujv s ALA 20 CO 0.00 -0.70 0.00 1.04 0.00 0.00 0.00 175.76 176.10 1ujv n GLN 21 N -0.26 0.00 0.00 0.00 6.02 -1.26 -4.44 117.38 117.44 1ujv n GLN 21 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 1ujv n GLN 21 Cb 0.63 -3.57 0.00 0.00 1.02 0.00 0.00 30.24 28.32 1ujv n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ujv n GLY 22 N -1.38 3.85 3.63 1.08 0.00 -1.26 -5.08 105.19 106.02 1ujv n GLY 22 Ca 0.00 -1.38 -0.48 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.29 1.88 -0.25 1.61 3.01 -1.26 -4.85 117.46 117.31 1ujv n PHE 23 Ca 0.00 0.47 0.05 0.00 1.01 0.00 0.00 57.45 58.98 1ujv n PHE 23 Cb 0.00 -2.43 0.28 0.00 -0.01 0.00 0.00 39.48 37.33 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 4.83 1.16 -3.38 1.37 0.00 -1.87 -3.42 103.07 101.76 1ujv h GLY 24 Ca -0.46 -0.37 -0.57 0.00 0.00 0.00 0.00 47.33 45.93 1ujv h GLY 24 CO 0.80 0.28 0.29 1.97 0.00 0.00 0.00 176.54 179.88 1ujv n PHE 25 N -4.48 1.46 -4.13 5.60 -1.74 -1.26 -4.17 117.46 108.74 1ujv n PHE 25 Ca 0.12 0.50 -0.25 0.00 -0.56 0.00 0.00 57.45 57.26 1ujv n PHE 25 Cb 0.20 -2.26 -0.06 0.00 1.52 0.00 0.00 39.48 38.88 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 -1.31 4.25 0.12 1.97 -4.23 -0.19 -4.93 115.64 111.32 1ujv s THR 26 Ca 0.66 -1.29 0.11 0.00 -1.18 0.00 0.00 61.69 59.99 1ujv s THR 26 Cb -0.50 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.10 1ujv s THR 26 CO 0.54 -0.18 -0.27 0.27 -0.54 0.00 0.00 174.62 174.44 1ujv s ILE 27 N -1.88 2.23 0.02 2.99 -4.36 -1.26 -0.87 121.20 118.08 1ujv s ILE 27 Ca 0.31 -1.70 0.07 0.00 -0.26 0.00 0.00 60.65 59.06 1ujv s ILE 27 Cb -0.09 -1.96 -0.02 0.00 1.25 0.00 0.00 42.46 41.63 1ujv s ILE 27 CO 0.23 0.13 -0.20 0.00 0.24 0.00 0.00 174.94 175.33 1ujv s ALA 28 N -1.02 1.69 -1.02 2.27 0.00 0.12 -4.75 121.76 119.05 1ujv s ALA 28 Ca 0.13 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 50.94 1ujv s ALA 28 Cb -0.10 -0.36 0.14 0.00 0.00 0.00 0.00 23.12 22.80 1ujv s ALA 28 CO 0.05 0.39 1.23 0.34 0.00 0.00 0.00 175.76 177.77 1ujv s ASP 29 N -0.94 6.75 0.94 0.00 2.15 -1.26 -1.25 116.67 123.06 1ujv s ASP 29 Ca 0.07 -2.30 -0.12 0.00 0.43 0.00 0.00 52.55 50.64 1ujv s ASP 29 Cb -0.08 -2.41 0.15 0.00 -0.30 0.00 0.00 42.92 40.28 1ujv s ASP 29 CO 0.01 -0.99 1.10 -0.94 -0.17 0.00 0.00 175.17 174.17 1ujv s SER 30 N 3.46 3.15 0.00 -0.34 1.04 -0.87 -4.90 113.70 115.24 1ujv s SER 30 Ca 0.36 1.31 0.01 0.00 0.48 0.00 0.00 55.95 58.11 1ujv s SER 30 Cb -0.04 -1.98 0.06 0.00 0.10 0.00 0.00 66.02 64.16 1ujv s SER 30 CO -0.07 -2.82 0.56 -0.81 0.98 0.00 0.00 173.24 171.08 1ujv n PRO 31 N -3.98 0.50 0.00 4.02 -0.04 -1.26 -3.83 135.00 130.41 1ujv n PRO 31 Ca 0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1ujv n PRO 31 Cb 0.56 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 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 -0.53 0.00 0.00 0.52 -2.24 -1.26 -5.15 114.28 105.62 1ujv n THR 32 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1ujv n THR 32 Cb 0.00 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.00 0.72 3.81 3.38 0.00 -1.25 -5.03 105.19 106.82 1ujv n GLY 33 Ca 0.00 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.26 4.24 0.27 1.61 -1.52 -1.26 -2.06 119.66 119.68 1ujv s GLN 34 Ca 0.00 0.81 0.08 0.00 -1.95 0.00 0.00 55.36 54.30 1ujv s GLN 34 Cb 0.00 -3.09 -0.05 0.00 -0.22 0.00 0.00 33.01 29.64 1ujv s GLN 34 CO 0.00 0.53 -0.11 1.03 -0.25 0.00 0.00 175.29 176.49 1ujv s ARG 35 N -1.50 1.55 -0.32 2.91 0.52 -0.38 -1.42 118.95 120.31 1ujv s ARG 35 Ca 0.36 -1.75 -0.22 0.00 -0.52 0.00 0.00 55.73 53.59 1ujv s ARG 35 Cb -0.19 -1.32 -0.00 0.00 0.52 0.00 0.00 34.95 33.96 1ujv s ARG 35 CO 0.21 0.14 0.72 0.08 0.02 0.00 0.00 175.30 176.47 1ujv s VAL 36 N -2.86 4.84 -0.00 3.52 1.01 -1.26 -0.70 120.40 124.94 1ujv s VAL 36 Ca 0.28 0.98 -0.03 0.00 0.00 0.00 0.00 61.98 63.22 1ujv s VAL 36 Cb 0.01 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 1ujv s VAL 36 CO 0.12 -0.25 0.56 0.50 0.00 0.00 0.00 175.10 176.03 1ujv h LYS 37 N 8.23 -0.09 -3.43 2.72 3.64 -1.30 -1.96 116.57 124.39 1ujv h LYS 37 Ca -0.25 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.03 1ujv h LYS 37 Cb 1.10 0.02 -0.17 0.00 -0.41 0.00 0.00 32.23 32.77 1ujv h LYS 37 CO 0.86 -0.06 -0.32 -1.14 -2.27 0.00 0.00 179.45 176.52 1ujv s GLN 38 N -2.29 0.76 -0.28 1.90 0.74 -1.24 -4.74 119.66 114.52 1ujv s GLN 38 Ca -0.01 -0.57 0.03 0.00 0.05 0.00 0.00 55.36 54.86 1ujv s GLN 38 Cb 0.00 0.32 0.07 0.00 1.10 0.00 0.00 33.01 34.50 1ujv s GLN 38 CO 0.04 -0.23 -0.07 0.42 -0.55 0.00 0.00 175.29 174.90 1ujv s ILE 39 N -2.56 2.13 -0.22 -2.34 1.01 -1.26 -1.02 121.20 116.94 1ujv s ILE 39 Ca -0.05 -1.75 -0.16 0.00 0.00 0.00 0.00 60.65 58.69 1ujv s ILE 39 Cb -0.01 -2.32 -0.11 0.00 0.01 0.00 0.00 42.46 40.03 1ujv s ILE 39 CO -0.04 -0.16 -0.19 0.18 0.00 0.00 0.00 174.94 174.73 1ujv n LEU 40 N 4.41 1.91 -4.13 2.97 4.77 -1.26 -4.50 117.00 121.17 1ujv n LEU 40 Ca -0.10 0.40 -0.43 0.00 -0.03 0.00 0.00 56.01 55.85 1ujv n LEU 40 Cb 0.42 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1ujv n LEU 40 CO 0.21 0.18 1.74 -0.67 -1.33 0.00 0.00 177.39 177.52 1ujv n ASP 41 N -4.39 5.12 -0.18 -1.43 2.03 -1.26 -4.82 116.55 111.63 1ujv n ASP 41 Ca -0.34 -3.05 -0.01 0.00 0.52 0.00 0.00 54.79 51.91 1ujv n ASP 41 Cb 0.68 -1.53 0.07 0.00 -0.72 0.00 0.00 41.12 39.62 1ujv n ASP 41 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1ujv h ILE 42 N 4.16 0.53 -0.61 5.18 2.04 -1.92 -2.62 117.51 124.27 1ujv h ILE 42 Ca 0.37 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 66.15 1ujv h ILE 42 Cb 0.73 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1ujv h ILE 42 CO 1.47 0.02 0.18 1.56 0.00 0.00 0.00 178.15 181.37 1ujv h GLN 43 N 0.08 0.94 0.00 2.37 1.08 -1.98 -1.14 115.11 116.45 1ujv h GLN 43 Ca 0.28 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 1ujv h GLN 43 Cb 0.43 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1ujv h GLN 43 CO -0.49 0.81 0.00 0.41 -0.95 0.00 0.00 178.83 178.62 1ujv n GLY 44 N -0.86 -0.85 2.35 3.46 0.00 -1.00 -3.81 105.19 104.48 1ujv n GLY 44 Ca 0.05 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1ujv n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujv s PRO 46 N -1.55 4.21 0.00 0.00 0.04 -1.25 -1.98 135.00 134.47 1ujv s PRO 46 Ca 0.36 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.77 1ujv s PRO 46 Cb 0.13 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1ujv s PRO 46 CO -0.09 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1ujv n GLY 47 N 3.81 2.50 3.75 0.56 0.00 -1.26 -4.49 105.19 110.06 1ujv n GLY 47 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 3.82 0.00 0.99 0.20 -0.84 -5.04 118.68 117.81 1ujv s LEU 48 Ca 0.00 2.68 0.01 0.00 0.69 0.00 0.00 54.13 57.51 1ujv s LEU 48 Cb 0.00 -4.34 -0.00 0.00 -0.43 0.00 0.00 46.19 41.42 1ujv s LEU 48 CO 0.00 -1.57 -0.03 0.00 -0.29 0.00 0.00 176.35 174.46 1ujv s GLU 50 N -0.28 1.91 -1.39 0.00 8.01 -1.26 -3.42 118.70 122.27 1ujv s GLU 50 Ca -0.01 1.42 -0.04 0.00 0.01 0.00 0.00 54.97 56.35 1ujv s GLU 50 Cb -0.02 -1.84 0.02 0.00 -4.31 0.00 0.00 34.13 27.98 1ujv s GLU 50 CO -0.00 -1.94 0.71 0.41 0.01 0.00 0.00 175.26 174.44 1ujv n GLY 51 N -0.40 -0.32 0.00 -1.39 0.00 -0.74 -4.95 105.19 97.39 1ujv n GLY 51 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.98 0.00 -3.27 1.61 5.75 -1.22 -4.96 116.55 111.48 1ujv n ASP 52 Ca -0.22 0.00 -0.04 0.00 -0.01 0.00 0.00 54.79 54.53 1ujv n ASP 52 Cb 0.64 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.68 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 -0.95 0.20 -2.12 1.98 -1.26 -4.70 118.68 111.83 1ujv s LEU 53 Ca 0.00 0.52 -0.30 0.00 -2.89 0.00 0.00 54.13 51.46 1ujv s LEU 53 Cb 0.00 1.56 -0.09 0.00 0.66 0.00 0.00 46.19 48.33 1ujv s LEU 53 CO 0.00 -0.28 1.28 -0.63 -1.89 0.00 0.00 176.35 174.83 1ujv s ILE 54 N 2.68 3.27 -0.03 6.68 1.01 -0.51 -0.43 121.20 133.87 1ujv s ILE 54 Ca 0.16 1.06 -0.02 0.00 0.00 0.00 0.00 60.65 61.85 1ujv s ILE 54 Cb -0.15 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1ujv s ILE 54 CO -0.18 0.16 -0.04 0.52 0.00 0.00 0.00 174.94 175.40 1ujv n VAL 55 N 2.52 0.22 -4.12 2.92 0.31 0.15 -4.40 118.33 115.94 1ujv n VAL 55 Ca 0.05 -0.04 -0.15 0.00 -0.01 0.00 0.00 64.34 64.20 1ujv n VAL 55 Cb 0.43 -1.55 -0.11 0.00 -0.91 0.00 0.00 33.84 31.70 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 -2.06 0.68 -0.10 5.55 2.02 -1.09 -0.85 118.70 122.84 1ujv s GLU 56 Ca -0.05 -0.89 0.02 0.00 0.02 0.00 0.00 54.97 54.07 1ujv s GLU 56 Cb 0.02 -0.50 0.01 0.00 0.10 0.00 0.00 34.13 33.76 1ujv s GLU 56 CO 0.06 0.10 -0.17 0.42 0.02 0.00 0.00 175.26 175.69 1ujv s ILE 57 N -1.56 1.59 0.00 -1.63 1.01 -0.31 -1.61 121.20 118.69 1ujv s ILE 57 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.89 1ujv s ILE 57 Cb -0.09 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.96 1ujv s ILE 57 CO 0.01 0.46 0.00 0.59 0.00 0.00 0.00 174.94 175.99 1ujv n ASN 58 N 3.96 0.00 0.00 3.58 3.02 0.51 -1.38 115.26 124.96 1ujv n ASN 58 Ca -0.20 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1ujv n ASN 58 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 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 0.00 0.00 -3.88 3.52 10.64 -1.26 -4.76 117.38 121.63 1ujv n GLN 59 Ca 0.00 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.81 1ujv n GLN 59 Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 1ujv n GLN 59 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 1ujv s GLN 60 N 0.00 3.45 0.24 2.61 0.74 -0.48 -5.09 119.66 121.14 1ujv s GLN 60 Ca 0.00 -0.19 -0.30 0.00 0.05 0.00 0.00 55.36 54.93 1ujv s GLN 60 Cb 0.00 -3.16 -0.09 0.00 1.10 0.00 0.00 33.01 30.87 1ujv s GLN 60 CO 0.00 0.74 1.17 1.21 -0.55 0.00 0.00 175.29 177.86 1ujv s ASN 61 N -1.36 7.13 -0.00 6.67 3.84 -1.26 -1.16 114.94 128.79 1ujv s ASN 61 Ca 0.20 2.30 0.00 0.00 0.21 0.00 0.00 52.86 55.57 1ujv s ASN 61 Cb -0.12 -2.62 0.00 0.00 -0.55 0.00 0.00 41.25 37.96 1ujv s ASN 61 CO 0.10 -0.29 0.98 1.33 -2.79 0.00 0.00 177.10 176.43 1ujv n VAL 62 N 1.74 0.03 0.23 -5.21 0.24 -0.03 -4.82 118.33 110.50 1ujv n VAL 62 Ca 0.01 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 1ujv n VAL 62 Cb 0.44 0.51 -0.06 0.00 -1.47 0.00 0.00 33.84 33.26 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 -0.61 0.00 7.34 4.20 -1.71 -3.31 115.11 121.02 1ujv h GLN 63 Ca 0.00 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1ujv h GLN 63 Cb 1.38 0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.30 1ujv h GLN 63 CO 0.00 -0.34 0.00 -0.91 -0.67 0.00 0.00 178.83 176.91 1ujv h ASN 64 N -1.09 0.00 -3.11 1.46 4.21 -1.91 -3.45 115.58 111.69 1ujv h ASN 64 Ca -0.07 0.00 -0.57 0.00 1.21 0.00 0.00 56.30 56.88 1ujv h ASN 64 Cb 0.56 0.00 0.10 0.00 -1.12 0.00 0.00 38.32 37.85 1ujv h ASN 64 CO 0.11 0.00 0.61 0.18 -1.29 0.00 0.00 177.43 177.04 1ujv n LEU 65 N -3.08 3.56 -4.70 1.61 4.32 -1.25 -5.00 117.00 112.46 1ujv n LEU 65 Ca -0.00 1.18 -0.33 0.00 -0.02 0.00 0.00 56.01 56.83 1ujv n LEU 65 Cb 0.25 -1.49 0.13 0.00 -1.62 0.00 0.00 43.42 40.69 1ujv n LEU 65 CO 0.25 -0.37 0.76 -0.44 -1.22 0.00 0.00 177.39 176.37 1ujv s SER 66 N 0.03 3.55 0.20 -1.43 0.01 -1.26 -4.83 113.70 109.97 1ujv s SER 66 Ca 0.61 2.34 -0.16 0.00 1.31 0.00 0.00 55.95 60.05 1ujv s SER 66 Cb -0.58 -2.59 0.21 0.00 0.21 0.00 0.00 66.02 63.27 1ujv s SER 66 CO 0.56 -2.69 1.61 -0.74 0.41 0.00 0.00 173.24 172.39 1ujv h HIS 67 N -0.99 -0.50 -0.75 2.43 2.76 -1.97 -0.62 115.15 115.52 1ujv h HIS 67 Ca -0.46 0.06 0.11 0.00 -2.20 0.00 0.00 60.37 57.88 1ujv h HIS 67 Cb 1.29 0.31 -0.05 0.00 1.55 0.00 0.00 27.41 30.51 1ujv h HIS 67 CO 0.47 -0.31 0.49 1.15 -1.30 0.00 0.00 177.93 178.44 1ujv h THR 68 N -0.05 0.91 0.00 6.26 2.02 -1.98 -0.60 112.91 119.46 1ujv h THR 68 Ca 0.28 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 1ujv h THR 68 Cb 0.49 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1ujv h THR 68 CO -0.65 0.11 -0.00 -0.33 0.37 0.00 0.00 175.52 175.01 1ujv h GLU 69 N 0.61 -0.00 -0.73 6.66 4.39 -1.47 -0.69 114.58 123.33 1ujv h GLU 69 Ca 0.35 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.00 1ujv h GLU 69 Cb 0.54 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 1ujv h GLU 69 CO -0.13 0.46 0.25 0.28 -1.16 0.00 0.00 179.01 178.72 1ujv h VAL 70 N -0.47 1.25 0.19 3.13 2.07 -0.91 -0.42 116.25 121.10 1ujv h VAL 70 Ca -0.00 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 1ujv h VAL 70 Cb 0.47 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1ujv h VAL 70 CO 0.00 0.34 -0.09 0.58 0.02 0.00 0.00 177.57 178.42 1ujv h VAL 71 N 1.07 0.83 -0.20 2.57 2.07 -1.14 -1.94 116.25 119.51 1ujv h VAL 71 Ca 0.24 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.59 1ujv h VAL 71 Cb 0.26 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1ujv h VAL 71 CO -0.01 0.02 -0.25 -0.78 0.02 0.00 0.00 177.57 176.57 1ujv h ASP 72 N -0.30 0.37 0.23 0.57 1.82 -0.16 0.15 116.42 119.10 1ujv h ASP 72 Ca -0.03 -0.12 -0.01 0.00 -0.39 0.00 0.00 57.03 56.49 1ujv h ASP 72 Cb 0.23 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.14 1ujv h ASP 72 CO 0.04 0.62 -0.11 0.40 -1.61 0.00 0.00 179.24 178.58 1ujv h ILE 73 N 0.33 0.77 -0.47 2.25 2.04 -1.13 -0.46 117.51 120.84 1ujv h ILE 73 Ca 0.05 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 1ujv h ILE 73 Cb 0.62 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1ujv h ILE 73 CO 0.04 0.00 0.13 -0.07 0.00 0.00 0.00 178.15 178.25 1ujv h LEU 74 N -0.31 0.64 -0.17 1.44 3.38 -0.42 -1.44 115.31 118.43 1ujv h LEU 74 Ca -0.03 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1ujv h LEU 74 Cb 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1ujv h LEU 74 CO 0.05 0.63 0.09 0.11 0.09 0.00 0.00 178.44 179.40 1ujv h LYS 75 N 0.68 0.19 -0.28 1.13 1.57 -0.65 -3.18 116.57 116.03 1ujv h LYS 75 Ca 0.16 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1ujv h LYS 75 Cb 0.23 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1ujv h LYS 75 CO -0.01 0.12 0.05 0.22 -0.57 0.00 0.00 179.45 179.26 1ujv h ASP 76 N 0.19 0.37 -1.51 0.86 3.58 -0.09 -3.43 116.42 116.39 1ujv h ASP 76 Ca 0.07 -0.05 -0.73 0.00 0.42 0.00 0.00 57.03 56.74 1ujv h ASP 76 Cb 0.01 -0.09 0.03 0.00 1.72 0.00 0.00 39.33 41.00 1ujv h ASP 76 CO -0.04 0.40 0.61 0.00 -2.88 0.00 0.00 179.24 177.33 1ujv n PRO 78 N 3.68 1.69 -2.39 0.00 -0.02 -1.26 -4.96 135.00 131.74 1ujv n PRO 78 Ca 0.23 0.62 -0.40 0.00 -2.02 0.00 0.00 63.50 61.92 1ujv n PRO 78 Cb 0.14 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.12 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 -1.28 3.32 0.00 4.25 -1.09 -1.26 -2.90 121.20 122.24 1ujv s ILE 79 Ca 0.68 1.32 0.00 0.00 -2.23 0.00 0.00 60.65 60.42 1ujv s ILE 79 Cb -0.45 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 1ujv s ILE 79 CO 0.52 0.31 0.00 0.61 -1.23 0.00 0.00 174.94 175.15 1ujv n GLY 80 N 1.17 1.83 3.70 6.18 0.00 0.37 -4.98 105.19 113.47 1ujv n GLY 80 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.38 6.22 0.36 1.61 0.01 -1.14 -4.80 113.70 112.56 1ujv s SER 81 Ca 0.00 0.24 -0.28 0.00 1.31 0.00 0.00 55.95 57.21 1ujv s SER 81 Cb 0.00 -2.11 -0.11 0.00 0.21 0.00 0.00 66.02 64.01 1ujv s SER 81 CO 0.00 0.12 1.45 -1.61 0.41 0.00 0.00 173.24 173.61 1ujv s GLU 82 N 0.64 4.17 -0.11 12.44 8.01 -1.26 -3.56 118.70 139.03 1ujv s GLU 82 Ca 0.09 2.48 0.02 0.00 0.01 0.00 0.00 54.97 57.57 1ujv s GLU 82 Cb -0.12 -3.00 0.01 0.00 -4.31 0.00 0.00 34.13 26.71 1ujv s GLU 82 CO 0.01 -0.45 -0.17 0.99 0.01 0.00 0.00 175.26 175.65 1ujv s THR 83 N -1.04 1.61 -0.21 3.63 2.01 0.13 -4.93 115.64 116.84 1ujv s THR 83 Ca 0.52 -0.72 -0.21 0.00 0.31 0.00 0.00 61.69 61.59 1ujv s THR 83 Cb -0.45 -1.46 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 1ujv s THR 83 CO 0.59 0.46 0.66 -0.44 -0.69 0.00 0.00 174.62 175.20 1ujv s SER 84 N 0.89 6.69 -0.23 3.53 0.01 -1.26 -0.79 113.70 122.54 1ujv s SER 84 Ca -0.08 0.84 0.02 0.00 1.31 0.00 0.00 55.95 58.04 1ujv s SER 84 Cb -0.15 -2.36 0.05 0.00 0.21 0.00 0.00 66.02 63.77 1ujv s SER 84 CO -0.01 -0.32 -0.13 -0.76 0.41 0.00 0.00 173.24 172.44 1ujv s LEU 85 N 2.12 2.99 0.03 2.44 1.02 -0.20 -0.36 118.68 126.72 1ujv s LEU 85 Ca 0.29 -1.17 -0.30 0.00 0.02 0.00 0.00 54.13 52.97 1ujv s LEU 85 Cb -0.16 -1.48 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 1ujv s LEU 85 CO 0.10 -0.15 0.97 -0.63 0.02 0.00 0.00 176.35 176.66 1ujv s ILE 86 N 1.19 4.75 0.10 -0.59 1.01 -0.63 -0.92 121.20 126.11 1ujv s ILE 86 Ca -0.05 2.05 0.07 0.00 0.00 0.00 0.00 60.65 62.72 1ujv s ILE 86 Cb -0.18 -4.32 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 1ujv s ILE 86 CO -0.07 0.21 -0.18 0.27 0.00 0.00 0.00 174.94 175.17 1ujv s ILE 87 N 0.68 1.48 -0.38 2.92 -5.25 -0.43 -0.67 121.20 119.54 1ujv s ILE 87 Ca 0.50 -1.50 -0.28 0.00 -0.99 0.00 0.00 60.65 58.38 1ujv s ILE 87 Cb -0.22 -1.41 0.02 0.00 2.95 0.00 0.00 42.46 43.81 1ujv s ILE 87 CO 0.28 -0.16 1.05 -2.28 -1.79 0.00 0.00 174.94 172.04 1ujv s HIS 88 N -1.34 3.03 0.34 1.37 5.65 0.43 -2.06 115.29 122.70 1ujv s HIS 88 Ca 0.04 0.92 0.02 0.00 0.25 0.00 0.00 55.06 56.29 1ujv s HIS 88 Cb -0.09 -3.90 -0.01 0.00 -1.18 0.00 0.00 32.58 27.40 1ujv s HIS 88 CO 0.04 -0.93 0.40 0.50 -0.65 0.00 0.00 174.74 174.09 1ujv s ARG 89 N 3.83 1.88 0.00 2.88 6.06 -1.26 -4.22 118.95 128.12 1ujv s ARG 89 Ca 0.44 -1.89 0.00 0.00 -2.50 0.00 0.00 55.73 51.78 1ujv s ARG 89 Cb -0.11 0.40 0.00 0.00 0.06 0.00 0.00 34.95 35.30 1ujv s ARG 89 CO 0.21 -0.75 0.00 0.41 -2.50 0.00 0.00 175.30 172.67 1ujv n GLY 90 N -0.60 0.67 3.31 8.12 0.00 -1.26 -4.11 105.19 111.33 1ujv n GLY 90 Ca 0.04 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 1ujv n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujv s SER 91 N -0.99 -0.24 0.00 1.61 0.15 -1.26 -4.54 113.70 108.44 1ujv s SER 91 Ca 0.00 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1ujv s SER 91 Cb 0.00 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1ujv s SER 91 CO 0.00 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.26 1ujv n GLY 92 N -0.01 0.66 0.09 9.45 0.00 -1.26 -5.08 105.19 109.04 1ujv n GLY 92 Ca -0.17 -0.74 -0.01 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.08 0.64 -3.64 1.61 -0.04 -1.26 -5.01 135.00 127.22 1ujv n PRO 93 Ca 0.00 0.16 -0.02 0.00 -0.04 0.00 0.00 63.50 63.59 1ujv n PRO 93 Cb 0.00 -1.74 -0.04 0.00 -0.04 0.00 0.00 33.50 31.68 1ujv n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ujv s SER 94 N -5.65 -0.06 0.31 3.54 0.01 -1.26 -4.27 113.70 106.32 1ujv s SER 94 Ca -0.05 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.28 1ujv s SER 94 Cb 0.09 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1ujv s SER 94 CO 0.82 -0.05 0.00 -0.24 0.41 0.00 0.00 173.24 174.18 1ujv n SER 95 N 0.61 -7.26 0.00 2.44 2.88 -1.26 -5.20 113.62 105.83 1ujv n SER 95 Ca -0.01 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1ujv n SER 95 Cb 0.59 -3.74 0.00 0.00 -0.75 0.00 0.00 64.21 60.31 1ujv n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42