#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujv n SER 2 N 0.00 -5.12 0.00 1.61 7.64 -1.26 -4.94 113.62 111.55 1ujv n SER 2 Ca 0.00 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.71 1ujv n SER 2 Cb 0.00 -2.49 0.00 0.00 -1.01 0.00 0.00 64.21 60.71 1ujv n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ujv n SER 3 N -4.23 0.00 -0.88 6.43 2.88 -1.26 -5.14 113.62 111.42 1ujv n SER 3 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1ujv n SER 3 Cb 0.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.81 1ujv n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujv n GLY 4 N 0.12 2.00 3.73 0.46 0.00 -1.26 -5.17 105.19 105.07 1ujv n GLY 4 Ca 0.00 -0.97 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.65 5.63 -0.49 1.61 1.04 -1.26 -5.08 113.70 114.51 1ujv s SER 5 Ca 0.00 0.22 -0.29 0.00 0.48 0.00 0.00 55.95 56.36 1ujv s SER 5 Cb 0.00 -1.75 0.02 0.00 0.10 0.00 0.00 66.02 64.39 1ujv s SER 5 CO 0.00 0.34 1.29 -0.94 0.98 0.00 0.00 173.24 174.91 1ujv s SER 6 N -0.66 6.41 0.32 7.02 1.04 -1.26 -5.03 113.70 121.55 1ujv s SER 6 Ca 0.11 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.04 1ujv s SER 6 Cb -0.12 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.46 1ujv s SER 6 CO 0.02 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.42 1ujv n GLY 7 N 5.04 -1.77 0.73 7.32 0.00 -1.26 -5.13 105.19 110.12 1ujv n GLY 7 Ca 0.13 -1.49 -0.06 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.43 1.26 -4.04 1.61 -0.06 -1.26 -5.18 117.38 109.27 1ujv n GLN 8 Ca 0.00 -0.75 -0.11 0.00 -2.00 0.00 0.00 57.00 54.14 1ujv n GLN 8 Cb 0.00 0.31 -0.11 0.00 -4.06 0.00 0.00 30.24 26.38 1ujv n GLN 8 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ujv s ALA 9 N -2.21 0.44 -0.30 1.69 0.00 -1.26 -5.15 121.76 114.97 1ujv s ALA 9 Ca 0.02 -0.78 -0.06 0.00 0.00 0.00 0.00 51.96 51.14 1ujv s ALA 9 Cb 0.00 0.11 0.16 0.00 0.00 0.00 0.00 23.12 23.39 1ujv s ALA 9 CO 0.02 -0.11 0.65 -1.83 0.00 0.00 0.00 175.76 174.48 1ujv s GLU 10 N -1.89 0.56 0.28 0.00 1.03 -1.26 -5.16 118.70 112.27 1ujv s GLU 10 Ca -0.09 1.21 0.02 0.00 0.03 0.00 0.00 54.97 56.14 1ujv s GLU 10 Cb -0.07 0.71 -0.05 0.00 -0.80 0.00 0.00 34.13 33.92 1ujv s GLU 10 CO -0.01 -0.39 0.12 -0.51 -1.33 0.00 0.00 175.26 173.13 1ujv s LEU 11 N 2.87 1.69 0.16 1.83 1.02 -1.24 -3.95 118.68 121.06 1ujv s LEU 11 Ca 0.07 -1.45 0.07 0.00 0.02 0.00 0.00 54.13 52.83 1ujv s LEU 11 Cb -0.13 0.05 -0.04 0.00 0.02 0.00 0.00 46.19 46.09 1ujv s LEU 11 CO -0.20 -0.79 -0.02 -0.04 0.02 0.00 0.00 176.35 175.33 1ujv s MET 12 N -3.94 2.37 -0.09 1.70 -1.94 -0.40 -4.86 119.30 112.13 1ujv s MET 12 Ca 0.36 -1.08 -0.01 0.00 -1.71 0.00 0.00 55.69 53.25 1ujv s MET 12 Cb 0.07 -2.36 0.03 0.00 2.01 0.00 0.00 34.83 34.58 1ujv s MET 12 CO 0.15 0.47 -0.04 0.99 -0.01 0.00 0.00 175.02 176.57 1ujv s THR 13 N -1.63 0.74 0.32 2.05 2.01 -1.26 -0.58 115.64 117.28 1ujv s THR 13 Ca 0.26 -0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.20 1ujv s THR 13 Cb -0.10 -0.82 -0.06 0.00 0.01 0.00 0.00 72.50 71.53 1ujv s THR 13 CO 0.18 0.32 0.02 -0.76 -0.69 0.00 0.00 174.62 173.69 1ujv s LEU 14 N 1.80 2.33 0.01 4.42 1.43 -0.79 -5.00 118.68 122.88 1ujv s LEU 14 Ca 0.05 -1.32 0.02 0.00 -1.03 0.00 0.00 54.13 51.85 1ujv s LEU 14 Cb -0.12 -0.49 -0.01 0.00 0.03 0.00 0.00 46.19 45.59 1ujv s LEU 14 CO -0.07 -0.52 -0.07 -0.89 0.23 0.00 0.00 176.35 175.03 1ujv s THR 15 N -3.17 0.57 0.03 5.49 2.01 -1.26 -0.87 115.64 118.45 1ujv s THR 15 Ca 0.34 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1ujv s THR 15 Cb 0.07 -0.51 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 1ujv s THR 15 CO 0.14 0.06 -0.05 0.27 -0.69 0.00 0.00 174.62 174.35 1ujv s ILE 16 N -0.40 0.29 0.04 1.82 -4.36 0.31 -4.02 121.20 114.89 1ujv s ILE 16 Ca 0.01 -1.09 0.01 0.00 -0.26 0.00 0.00 60.65 59.31 1ujv s ILE 16 Cb -0.04 -0.55 -0.03 0.00 1.25 0.00 0.00 42.46 43.09 1ujv s ILE 16 CO -0.00 -0.52 -0.05 0.54 0.24 0.00 0.00 174.94 175.15 1ujv s VAL 17 N -1.74 0.31 -0.35 8.37 0.11 -0.22 0.01 120.40 126.89 1ujv s VAL 17 Ca -0.11 -1.26 -0.03 0.00 -2.93 0.00 0.00 61.98 57.66 1ujv s VAL 17 Cb -0.08 -0.77 0.07 0.00 -1.53 0.00 0.00 36.38 34.08 1ujv s VAL 17 CO -0.01 -0.61 0.10 -0.75 -3.33 0.00 0.00 175.10 170.49 1ujv s LYS 18 N -2.27 2.27 -1.36 1.54 2.20 -1.26 -4.50 119.74 116.37 1ujv s LYS 18 Ca -0.07 -1.49 -0.07 0.00 -0.36 0.00 0.00 55.97 53.99 1ujv s LYS 18 Cb -0.05 -3.40 0.10 0.00 -1.51 0.00 0.00 37.83 32.98 1ujv s LYS 18 CO -0.03 -0.82 2.40 0.41 -0.36 0.00 0.00 175.35 176.95 1ujv n GLY 19 N 4.64 5.03 1.41 5.54 0.00 -1.04 -3.17 105.19 117.59 1ujv n GLY 19 Ca -0.08 -1.98 0.05 0.00 0.00 0.00 0.00 46.02 44.00 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 2.28 -2.30 0.00 4.61 0.00 -1.26 -4.80 120.51 119.04 1ujv n ALA 20 Ca 0.62 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.62 1ujv n ALA 20 Cb 0.26 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.98 0.00 -2.76 0.00 6.02 -1.26 -4.52 117.38 111.88 1ujv n GLN 21 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1ujv n GLN 21 Cb 0.50 -2.08 0.00 0.00 1.02 0.00 0.00 30.24 29.67 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 -0.58 -0.29 1.36 1.08 0.00 -1.26 -4.99 105.19 100.50 1ujv n GLY 22 Ca 0.00 -1.39 0.10 0.00 0.00 0.00 0.00 46.02 44.73 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 9.00 1.17 0.00 1.61 3.01 -1.26 -2.49 117.46 128.50 1ujv n PHE 23 Ca 0.00 -0.58 0.00 0.00 1.01 0.00 0.00 57.45 57.88 1ujv n PHE 23 Cb 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.33 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 1.14 1.09 3.49 1.37 0.00 -1.26 -4.55 105.19 106.48 1ujv n GLY 24 Ca 0.23 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.67 -4.33 1.61 -1.74 -1.26 -4.46 117.46 106.60 1ujv n PHE 25 Ca 0.00 0.30 -0.23 0.00 -0.56 0.00 0.00 57.45 56.96 1ujv n PHE 25 Cb 0.00 -1.88 -0.08 0.00 1.52 0.00 0.00 39.48 39.04 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 -2.28 3.23 0.19 1.97 -4.23 -0.33 -4.89 115.64 109.30 1ujv s THR 26 Ca 0.62 -2.02 0.11 0.00 -1.18 0.00 0.00 61.69 59.22 1ujv s THR 26 Cb -0.25 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 1ujv s THR 26 CO 0.62 -0.38 -0.20 0.27 -0.54 0.00 0.00 174.62 174.40 1ujv s ILE 27 N -2.35 2.61 0.41 2.99 -4.36 -1.26 -0.83 121.20 118.41 1ujv s ILE 27 Ca 0.31 -1.92 0.07 0.00 -0.26 0.00 0.00 60.65 58.84 1ujv s ILE 27 Cb -0.06 -2.26 -0.08 0.00 1.25 0.00 0.00 42.46 41.31 1ujv s ILE 27 CO 0.19 -0.12 0.01 0.00 0.24 0.00 0.00 174.94 175.26 1ujv s ALA 28 N -1.69 3.21 -0.21 2.27 0.00 0.39 -4.62 121.76 121.10 1ujv s ALA 28 Ca 0.22 -2.25 -0.05 0.00 0.00 0.00 0.00 51.96 49.89 1ujv s ALA 28 Cb -0.08 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1ujv s ALA 28 CO 0.11 -0.12 -0.02 0.34 0.00 0.00 0.00 175.76 176.08 1ujv s ASP 29 N -3.72 4.58 0.37 0.00 2.15 -1.26 -1.84 116.67 116.95 1ujv s ASP 29 Ca 0.34 -0.30 0.04 0.00 0.43 0.00 0.00 52.55 53.07 1ujv s ASP 29 Cb 0.10 -1.79 -0.06 0.00 -0.30 0.00 0.00 42.92 40.87 1ujv s ASP 29 CO 0.18 0.01 0.05 -0.94 -0.17 0.00 0.00 175.17 174.30 1ujv s SER 30 N 1.28 2.86 0.29 -0.34 1.04 -0.20 -4.96 113.70 113.67 1ujv s SER 30 Ca 0.04 -1.43 0.22 0.00 0.48 0.00 0.00 55.95 55.26 1ujv s SER 30 Cb -0.14 -0.04 1.08 0.00 0.10 0.00 0.00 66.02 67.02 1ujv s SER 30 CO -0.00 -0.63 1.68 -0.81 0.98 0.00 0.00 173.24 174.45 1ujv n PRO 31 N -0.81 0.16 -0.00 4.02 -0.05 -1.26 -2.65 135.00 134.40 1ujv n PRO 31 Ca -0.04 0.55 0.08 0.00 -0.05 0.00 0.00 63.50 64.03 1ujv n PRO 31 Cb 0.67 -1.92 -0.10 0.00 -0.05 0.00 0.00 33.50 32.10 1ujv n PRO 31 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 175.50 175.70 1ujv n THR 32 N -2.24 0.00 0.00 0.52 -2.24 -1.26 -5.10 114.28 103.96 1ujv n THR 32 Ca 0.00 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1ujv n THR 32 Cb 0.12 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 1ujv n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ujv n GLY 33 N 1.41 0.76 3.78 3.38 0.00 -1.09 -4.99 105.19 108.45 1ujv n GLY 33 Ca 0.02 -2.06 -0.36 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.13 3.89 0.13 1.61 1.11 -1.26 -1.04 119.66 122.97 1ujv s GLN 34 Ca 0.00 1.54 -0.01 0.00 0.01 0.00 0.00 55.36 56.90 1ujv s GLN 34 Cb 0.00 -2.33 -0.04 0.00 -1.01 0.00 0.00 33.01 29.63 1ujv s GLN 34 CO 0.00 -0.39 0.05 1.03 0.01 0.00 0.00 175.29 175.99 1ujv s ARG 35 N -2.82 0.92 -0.21 2.91 0.52 -0.77 -1.75 118.95 117.75 1ujv s ARG 35 Ca 0.63 -1.44 -0.29 0.00 -0.52 0.00 0.00 55.73 54.11 1ujv s ARG 35 Cb -0.22 0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.45 1ujv s ARG 35 CO 0.27 -0.25 1.40 0.08 0.02 0.00 0.00 175.30 176.83 1ujv s VAL 36 N -4.02 4.02 0.00 3.52 1.01 -1.12 -0.46 120.40 123.34 1ujv s VAL 36 Ca 0.23 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.40 1ujv s VAL 36 Cb 0.07 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1ujv s VAL 36 CO 0.01 -0.28 0.37 1.17 0.00 0.00 0.00 175.10 176.38 1ujv n LYS 37 N 7.16 0.00 -4.02 2.72 3.00 -0.01 -0.90 118.16 126.11 1ujv n LYS 37 Ca 0.16 0.29 -0.08 0.00 -0.00 0.00 0.00 58.31 58.67 1ujv n LYS 37 Cb 0.45 -1.03 -0.11 0.00 0.00 0.00 0.00 35.03 34.35 1ujv n LYS 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1ujv s GLN 38 N -1.33 0.42 -0.45 1.64 0.74 -1.23 -4.57 119.66 114.88 1ujv s GLN 38 Ca 0.00 -0.83 -0.16 0.00 0.05 0.00 0.00 55.36 54.43 1ujv s GLN 38 Cb 0.00 0.15 0.05 0.00 1.10 0.00 0.00 33.01 34.31 1ujv s GLN 38 CO 0.00 -0.07 0.38 0.42 -0.55 0.00 0.00 175.29 175.47 1ujv s ILE 39 N -2.35 5.22 -2.73 -2.34 1.01 -1.26 -1.19 121.20 117.56 1ujv s ILE 39 Ca -0.08 -0.88 0.22 0.00 0.00 0.00 0.00 60.65 59.91 1ujv s ILE 39 Cb -0.03 -4.07 0.17 0.00 0.01 0.00 0.00 42.46 38.53 1ujv s ILE 39 CO -0.04 -0.50 1.19 0.18 0.00 0.00 0.00 174.94 175.76 1ujv n LEU 40 N 5.26 2.82 -3.50 2.97 7.99 -1.26 -4.87 117.00 126.41 1ujv n LEU 40 Ca -0.11 -1.00 -0.11 0.00 -0.01 0.00 0.00 56.01 54.78 1ujv n LEU 40 Cb 0.45 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.66 1ujv n LEU 40 CO 0.46 0.48 -0.07 -0.62 -1.51 0.00 0.00 177.39 176.12 1ujv s ASP 41 N -1.82 0.31 -0.11 -1.43 2.15 -1.26 -4.67 116.67 109.84 1ujv s ASP 41 Ca 0.25 0.40 -0.05 0.00 0.43 0.00 0.00 52.55 53.59 1ujv s ASP 41 Cb 0.18 0.99 -0.04 0.00 -0.30 0.00 0.00 42.92 43.75 1ujv s ASP 41 CO 0.27 -0.28 0.13 0.40 -0.17 0.00 0.00 175.17 175.53 1ujv h ILE 42 N 6.22 0.31 -0.75 4.11 2.04 -1.89 -3.34 117.51 124.20 1ujv h ILE 42 Ca -0.17 -1.23 0.04 0.00 1.00 0.00 0.00 64.86 64.49 1ujv h ILE 42 Cb 1.14 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1ujv h ILE 42 CO 0.21 0.10 0.50 1.56 0.00 0.00 0.00 178.15 180.53 1ujv h GLN 43 N -1.00 0.88 0.00 2.37 1.08 -1.98 -2.03 115.11 114.43 1ujv h GLN 43 Ca -0.00 -0.05 -0.08 0.00 -1.45 0.00 0.00 58.65 57.07 1ujv h GLN 43 Cb 0.18 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1ujv h GLN 43 CO -0.00 0.58 -0.38 0.78 -0.95 0.00 0.00 178.83 178.86 1ujv h GLY 44 N 0.91 0.00 -5.98 3.46 0.00 -1.79 -3.38 103.07 96.29 1ujv h GLY 44 Ca 0.30 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.06 1ujv h GLY 44 CO -0.09 0.00 -0.79 0.00 0.00 0.00 0.00 176.54 175.67 1ujv s PRO 46 N -2.29 4.22 0.00 0.00 0.04 -1.23 -2.84 135.00 132.89 1ujv s PRO 46 Ca 0.40 2.33 0.00 0.00 0.04 0.00 0.00 61.00 63.77 1ujv s PRO 46 Cb 0.19 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1ujv s PRO 46 CO -0.06 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 176.74 1ujv n GLY 47 N 3.83 1.00 3.75 0.56 0.00 -1.26 -4.48 105.19 108.59 1ujv n GLY 47 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 3.47 0.00 0.99 2.96 -1.13 -4.99 118.68 119.99 1ujv s LEU 48 Ca 0.00 2.20 0.00 0.00 -0.22 0.00 0.00 54.13 56.11 1ujv s LEU 48 Cb 0.00 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 42.12 1ujv s LEU 48 CO 0.00 -1.74 0.14 0.00 -1.32 0.00 0.00 176.35 173.43 1ujv n GLU 50 N -0.01 -3.61 -0.87 0.00 1.02 -1.26 -4.83 120.64 111.07 1ujv n GLU 50 Ca 0.00 2.82 0.00 0.00 -0.02 0.00 0.00 57.16 59.96 1ujv n GLU 50 Cb 0.22 -3.58 0.00 0.00 -0.02 0.00 0.00 31.44 28.05 1ujv n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ujv n GLY 51 N -2.70 0.17 3.71 0.62 0.00 -0.08 -4.92 105.19 102.00 1ujv n GLY 51 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1ujv n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ujv s ASP 52 N -2.09 6.49 -0.48 1.61 1.01 -1.26 -4.74 116.67 117.22 1ujv s ASP 52 Ca 0.00 2.71 -0.28 0.00 0.71 0.00 0.00 52.55 55.69 1ujv s ASP 52 Cb 0.00 -2.59 0.03 0.00 1.01 0.00 0.00 42.92 41.37 1ujv s ASP 52 CO 0.00 -0.91 1.09 -0.22 0.21 0.00 0.00 175.17 175.34 1ujv s LEU 53 N 1.52 3.72 0.01 1.23 1.98 -1.26 -2.77 118.68 123.11 1ujv s LEU 53 Ca 0.74 0.37 -0.30 0.00 -2.89 0.00 0.00 54.13 52.04 1ujv s LEU 53 Cb -0.46 -3.46 -0.06 0.00 0.66 0.00 0.00 46.19 42.87 1ujv s LEU 53 CO 0.32 -1.21 1.48 -0.63 -1.89 0.00 0.00 176.35 174.42 1ujv s ILE 54 N 4.30 3.54 0.04 6.68 1.01 -0.72 -1.67 121.20 134.37 1ujv s ILE 54 Ca 0.45 0.92 -0.03 0.00 0.00 0.00 0.00 60.65 61.99 1ujv s ILE 54 Cb -0.08 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.79 1ujv s ILE 54 CO 0.31 -0.01 -0.05 0.52 0.00 0.00 0.00 174.94 175.70 1ujv n VAL 55 N 4.75 1.05 -4.22 2.92 0.31 -0.91 -4.60 118.33 117.62 1ujv n VAL 55 Ca 0.14 0.27 -0.20 0.00 -0.01 0.00 0.00 64.34 64.54 1ujv n VAL 55 Cb 0.43 -1.67 -0.12 0.00 -0.91 0.00 0.00 33.84 31.56 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 -2.13 0.95 -0.09 5.55 8.01 -1.14 -0.68 118.70 129.17 1ujv s GLU 56 Ca -0.05 -1.06 0.02 0.00 0.01 0.00 0.00 54.97 53.89 1ujv s GLU 56 Cb 0.01 -1.03 0.02 0.00 -4.31 0.00 0.00 34.13 28.81 1ujv s GLU 56 CO 0.07 0.23 -0.12 0.42 0.01 0.00 0.00 175.26 175.87 1ujv s ILE 57 N -1.32 1.22 -1.40 -1.63 1.01 -0.72 -2.23 121.20 116.13 1ujv s ILE 57 Ca 0.02 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.10 1ujv s ILE 57 Cb -0.10 -1.14 0.01 0.00 0.01 0.00 0.00 42.46 41.25 1ujv s ILE 57 CO 0.03 0.38 0.34 0.59 0.00 0.00 0.00 174.94 176.28 1ujv n ASN 58 N 4.15 -1.00 0.00 3.58 3.02 0.26 -0.82 115.26 124.46 1ujv n ASN 58 Ca -0.20 -1.17 0.00 0.00 -0.03 0.00 0.00 54.58 53.18 1ujv n ASN 58 Cb 0.51 -2.24 0.00 0.00 -0.61 0.00 0.00 39.78 37.45 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 -4.58 0.00 -2.12 3.52 6.02 -1.26 -4.94 117.38 114.01 1ujv n GLN 59 Ca -0.26 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.30 1ujv n GLN 59 Cb 0.66 -4.13 -0.03 0.00 1.02 0.00 0.00 30.24 27.76 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 -0.29 3.97 -0.11 -1.09 0.74 -0.00 -4.96 119.66 117.92 1ujv s GLN 60 Ca 0.00 1.82 -0.31 0.00 0.05 0.00 0.00 55.36 56.92 1ujv s GLN 60 Cb 0.00 -3.98 -0.09 0.00 1.10 0.00 0.00 33.01 30.04 1ujv s GLN 60 CO 0.00 -1.09 2.06 -1.71 -0.55 0.00 0.00 175.29 174.00 1ujv n ASN 61 N 7.82 3.54 -0.53 6.67 2.85 -1.26 -1.75 115.26 132.60 1ujv n ASN 61 Ca 0.18 0.64 0.06 0.00 -0.11 0.00 0.00 54.58 55.35 1ujv n ASN 61 Cb 0.44 -1.48 0.06 0.00 1.24 0.00 0.00 39.78 40.05 1ujv n ASN 61 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1ujv n VAL 62 N 6.33 0.08 0.27 3.44 0.24 0.14 -4.82 118.33 124.02 1ujv n VAL 62 Ca 0.26 -0.54 0.17 0.00 -2.04 0.00 0.00 64.34 62.19 1ujv n VAL 62 Cb 0.38 1.21 0.85 0.00 -1.47 0.00 0.00 33.84 34.81 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 2.50 0.00 -0.01 7.34 4.20 -1.69 -0.36 115.11 127.10 1ujv h GLN 63 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ujv h GLN 63 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1ujv h GLN 63 CO 0.00 0.00 -0.11 -1.71 -0.67 0.00 0.00 178.83 176.34 1ujv n ASN 64 N -3.20 1.40 -4.72 1.46 5.15 -1.26 -4.90 115.26 109.18 1ujv n ASN 64 Ca 0.00 -1.20 -0.31 0.00 -0.60 0.00 0.00 54.58 52.47 1ujv n ASN 64 Cb 0.38 0.29 0.13 0.00 -0.53 0.00 0.00 39.78 40.05 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 -1.26 2.90 0.39 1.20 1.43 -0.15 -5.04 118.68 118.16 1ujv s LEU 65 Ca 0.09 1.97 -0.06 0.00 -1.03 0.00 0.00 54.13 55.11 1ujv s LEU 65 Cb 0.08 -4.51 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 1ujv s LEU 65 CO 0.18 -2.55 0.68 -0.44 0.23 0.00 0.00 176.35 174.45 1ujv s SER 66 N -3.07 6.39 0.19 2.29 0.01 -1.26 -4.85 113.70 113.40 1ujv s SER 66 Ca 0.64 0.85 -0.24 0.00 1.31 0.00 0.00 55.95 58.50 1ujv s SER 66 Cb -0.20 -2.20 0.09 0.00 0.21 0.00 0.00 66.02 63.92 1ujv s SER 66 CO 0.57 -0.38 1.55 -0.74 0.41 0.00 0.00 173.24 174.65 1ujv h HIS 67 N 0.99 -1.44 0.00 2.43 2.76 -1.96 -0.17 115.15 117.76 1ujv h HIS 67 Ca -0.48 0.11 -0.05 0.00 -2.20 0.00 0.00 60.37 57.76 1ujv h HIS 67 Cb 1.20 0.76 -0.01 0.00 1.55 0.00 0.00 27.41 30.91 1ujv h HIS 67 CO 0.58 -0.40 -0.22 1.15 -1.30 0.00 0.00 177.93 177.74 1ujv h THR 68 N -0.04 0.78 -0.18 6.26 2.02 -1.98 -0.15 112.91 119.63 1ujv h THR 68 Ca 0.25 -0.88 -0.09 0.00 0.77 0.00 0.00 66.41 66.46 1ujv h THR 68 Cb 0.52 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1ujv h THR 68 CO -0.92 0.21 -0.22 -0.33 0.37 0.00 0.00 175.52 174.63 1ujv h GLU 69 N 0.00 0.47 -0.74 6.66 4.39 -1.44 -0.92 114.58 123.01 1ujv h GLU 69 Ca -0.00 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.38 1ujv h GLU 69 Cb 0.52 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 1ujv h GLU 69 CO 0.03 0.85 0.27 0.28 -1.16 0.00 0.00 179.01 179.27 1ujv h VAL 70 N 0.12 1.26 -0.02 3.13 2.07 -0.79 -1.26 116.25 120.76 1ujv h VAL 70 Ca 0.02 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.73 1ujv h VAL 70 Cb 0.78 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1ujv h VAL 70 CO 0.05 0.34 -0.21 0.58 0.02 0.00 0.00 177.57 178.35 1ujv h VAL 71 N 1.08 0.50 -0.45 2.57 2.07 -1.04 -2.67 116.25 118.30 1ujv h VAL 71 Ca 0.24 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.80 1ujv h VAL 71 Cb 0.26 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1ujv h VAL 71 CO -0.01 0.00 0.21 -0.78 0.02 0.00 0.00 177.57 177.01 1ujv h ASP 72 N -0.33 0.29 -0.58 0.57 1.82 -0.17 0.44 116.42 118.47 1ujv h ASP 72 Ca 0.07 0.03 0.07 0.00 -0.39 0.00 0.00 57.03 56.81 1ujv h ASP 72 Cb 0.42 -0.02 -0.06 0.00 0.68 0.00 0.00 39.33 40.34 1ujv h ASP 72 CO -0.21 0.21 0.25 0.40 -1.61 0.00 0.00 179.24 178.28 1ujv h ILE 73 N 0.43 0.85 -0.30 2.25 2.04 -1.26 -0.88 117.51 120.64 1ujv h ILE 73 Ca 0.20 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 65.79 1ujv h ILE 73 Cb 0.13 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1ujv h ILE 73 CO -0.15 0.09 -0.26 -0.07 0.00 0.00 0.00 178.15 177.75 1ujv h LEU 74 N 0.47 0.60 -0.41 1.44 3.38 -0.85 -1.63 115.31 118.31 1ujv h LEU 74 Ca 0.28 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1ujv h LEU 74 Cb 0.28 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 1ujv h LEU 74 CO -0.24 0.84 0.08 0.11 0.09 0.00 0.00 178.44 179.32 1ujv h LYS 75 N 0.51 0.21 -0.44 1.13 1.57 -0.06 -2.96 116.57 116.54 1ujv h LYS 75 Ca 0.07 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1ujv h LYS 75 Cb 0.72 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 1ujv h LYS 75 CO 0.06 0.14 0.23 0.22 -0.57 0.00 0.00 179.45 179.52 1ujv h ASP 76 N 0.22 0.54 -2.72 0.86 1.82 -0.50 -3.44 116.42 113.20 1ujv h ASP 76 Ca 0.20 -0.04 -0.59 0.00 -0.39 0.00 0.00 57.03 56.21 1ujv h ASP 76 Cb 0.24 -0.14 0.10 0.00 0.68 0.00 0.00 39.33 40.21 1ujv h ASP 76 CO -0.26 0.45 0.38 0.00 -1.61 0.00 0.00 179.24 178.21 1ujv n PRO 78 N 1.12 1.45 -2.74 0.00 -0.02 -1.26 -4.99 135.00 128.56 1ujv n PRO 78 Ca 0.09 0.52 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 1ujv n PRO 78 Cb 0.32 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.29 4.77 -0.78 4.25 1.01 -1.26 -3.95 121.20 123.95 1ujv s ILE 79 Ca 0.64 2.02 -0.03 0.00 0.00 0.00 0.00 60.65 63.29 1ujv s ILE 79 Cb -0.52 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 37.65 1ujv s ILE 79 CO 0.56 0.21 0.35 0.61 0.00 0.00 0.00 174.94 176.67 1ujv n GLY 80 N 2.71 0.09 3.06 6.18 0.00 -1.19 -4.98 105.19 111.06 1ujv n GLY 80 Ca 0.04 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.89 -0.25 0.71 1.61 0.01 -1.25 -5.03 113.70 106.60 1ujv s SER 81 Ca 0.17 0.51 -0.16 0.00 1.31 0.00 0.00 55.95 57.78 1ujv s SER 81 Cb -0.08 0.41 0.02 0.00 0.21 0.00 0.00 66.02 66.59 1ujv s SER 81 CO 0.21 -0.15 1.24 -1.61 0.41 0.00 0.00 173.24 173.34 1ujv s GLU 82 N 1.06 2.25 -0.01 12.44 8.01 -1.26 -4.66 118.70 136.52 1ujv s GLU 82 Ca -0.08 1.88 0.01 0.00 0.01 0.00 0.00 54.97 56.79 1ujv s GLU 82 Cb -0.09 -1.83 0.01 0.00 -4.31 0.00 0.00 34.13 27.91 1ujv s GLU 82 CO -0.07 -1.78 -0.02 0.99 0.01 0.00 0.00 175.26 174.39 1ujv s THR 83 N -1.77 0.23 -0.31 3.63 2.01 0.10 -4.97 115.64 114.56 1ujv s THR 83 Ca 0.77 -0.05 -0.04 0.00 0.31 0.00 0.00 61.69 62.69 1ujv s THR 83 Cb -0.32 -0.25 0.04 0.00 0.01 0.00 0.00 72.50 71.98 1ujv s THR 83 CO 0.43 0.11 0.04 -0.44 -0.69 0.00 0.00 174.62 174.06 1ujv s SER 84 N 0.40 5.00 -0.23 3.53 0.01 -1.26 -0.53 113.70 120.62 1ujv s SER 84 Ca -0.04 -1.14 0.02 0.00 1.31 0.00 0.00 55.95 56.10 1ujv s SER 84 Cb -0.07 -1.77 0.05 0.00 0.21 0.00 0.00 66.02 64.44 1ujv s SER 84 CO -0.01 -0.26 -0.11 -0.76 0.41 0.00 0.00 173.24 172.51 1ujv s LEU 85 N 1.33 2.83 0.11 2.44 1.02 -0.05 -0.57 118.68 125.79 1ujv s LEU 85 Ca -0.03 -1.13 -0.18 0.00 0.02 0.00 0.00 54.13 52.81 1ujv s LEU 85 Cb -0.19 -1.40 -0.07 0.00 0.02 0.00 0.00 46.19 44.55 1ujv s LEU 85 CO 0.00 -0.16 0.58 -0.63 0.02 0.00 0.00 176.35 176.16 1ujv s ILE 86 N 1.25 4.75 0.03 -0.59 1.01 -0.95 -1.89 121.20 124.81 1ujv s ILE 86 Ca -0.05 1.12 0.02 0.00 0.00 0.00 0.00 60.65 61.75 1ujv s ILE 86 Cb -0.18 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 1ujv s ILE 86 CO -0.07 0.44 -0.08 0.27 0.00 0.00 0.00 174.94 175.50 1ujv s ILE 87 N -1.24 0.56 -0.82 2.92 -5.25 0.26 -2.15 121.20 115.47 1ujv s ILE 87 Ca 0.33 -0.82 -0.26 0.00 -0.99 0.00 0.00 60.65 58.91 1ujv s ILE 87 Cb -0.18 -0.57 0.03 0.00 2.95 0.00 0.00 42.46 44.69 1ujv s ILE 87 CO 0.19 -0.19 1.39 -2.28 -1.79 0.00 0.00 174.94 172.26 1ujv s HIS 88 N -0.95 2.30 -0.17 1.37 5.65 -0.67 -1.28 115.29 121.55 1ujv s HIS 88 Ca -0.05 -0.22 -0.07 0.00 0.25 0.00 0.00 55.06 54.97 1ujv s HIS 88 Cb -0.07 -4.60 0.07 0.00 -1.18 0.00 0.00 32.58 26.80 1ujv s HIS 88 CO 0.00 -2.04 0.37 0.50 -0.65 0.00 0.00 174.74 172.92 1ujv s ARG 89 N 5.63 0.30 -0.31 2.88 3.52 -1.26 -4.31 118.95 125.41 1ujv s ARG 89 Ca 0.42 0.86 -0.12 0.00 -0.13 0.00 0.00 55.73 56.75 1ujv s ARG 89 Cb -0.06 0.11 0.19 0.00 -1.56 0.00 0.00 34.95 33.62 1ujv s ARG 89 CO 0.07 -0.22 1.09 0.20 -0.81 0.00 0.00 175.30 175.63 1ujv s GLY 90 N 2.05 -1.21 0.00 8.12 0.00 -1.25 -3.13 107.32 111.89 1ujv s GLY 90 Ca -0.04 1.82 0.00 0.00 0.00 0.00 0.00 44.72 46.49 1ujv s GLY 90 CO -0.12 4.25 0.00 1.44 0.00 0.00 0.00 173.10 178.67 1ujv n SER 91 N 4.40 0.00 -2.91 1.64 7.64 -1.26 -4.92 113.62 118.21 1ujv n SER 91 Ca 0.08 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.85 1ujv n SER 91 Cb 0.61 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.82 1ujv n SER 91 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ujv s GLY 92 N 0.00 0.79 -0.68 0.23 0.00 -1.26 -5.10 107.32 101.29 1ujv s GLY 92 Ca 0.00 -1.04 -0.27 0.00 0.00 0.00 0.00 44.72 43.40 1ujv s GLY 92 CO 0.00 -0.55 1.25 2.56 0.00 0.00 0.00 173.10 176.36 1ujv s PRO 93 N -2.36 3.30 0.01 2.90 0.04 -1.26 -4.99 135.00 132.64 1ujv s PRO 93 Ca 0.21 -0.07 0.01 0.00 0.04 0.00 0.00 61.00 61.18 1ujv s PRO 93 Cb -0.04 -4.12 -0.01 0.00 0.04 0.00 0.00 34.50 30.37 1ujv s PRO 93 CO 0.15 -1.98 -0.03 -1.54 0.04 0.00 0.00 177.00 173.64 1ujv s SER 94 N 3.46 0.34 -0.39 6.66 1.04 -1.26 -5.11 113.70 118.44 1ujv s SER 94 Ca 0.38 -0.18 -0.04 0.00 0.48 0.00 0.00 55.95 56.58 1ujv s SER 94 Cb -0.08 -0.00 0.09 0.00 0.10 0.00 0.00 66.02 66.13 1ujv s SER 94 CO 0.19 -0.05 0.18 -0.44 0.98 0.00 0.00 173.24 174.09 1ujv s SER 95 N -0.47 5.29 0.00 7.02 0.01 -1.26 -5.25 113.70 119.04 1ujv s SER 95 Ca -0.03 -1.71 0.00 0.00 1.31 0.00 0.00 55.95 55.51 1ujv s SER 95 Cb -0.03 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 64.34 1ujv s SER 95 CO -0.00 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 173.78