#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 2.25 -0.30 1.61 0.15 -1.26 -5.05 113.70 111.11 1ujv s SER 2 Ca 0.00 -0.36 -0.07 0.00 0.70 0.00 0.00 55.95 56.22 1ujv s SER 2 Cb 0.00 -0.81 0.19 0.00 -1.71 0.00 0.00 66.02 63.69 1ujv s SER 2 CO 0.00 -0.14 0.94 -0.55 1.20 0.00 0.00 173.24 174.69 1ujv s SER 3 N 1.73 -0.69 0.00 5.45 0.15 -1.26 -5.18 113.70 113.89 1ujv s SER 3 Ca 0.04 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.79 1ujv s SER 3 Cb -0.13 1.45 0.00 0.00 -1.71 0.00 0.00 66.02 65.63 1ujv s SER 3 CO -0.08 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.84 1ujv n GLY 4 N 5.20 3.24 3.60 9.45 0.00 -1.26 -5.03 105.19 120.39 1ujv n GLY 4 Ca 0.08 -1.86 -0.47 0.00 0.00 0.00 0.00 46.02 43.76 1ujv n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujv n SER 5 N 0.00 3.13 -4.76 1.61 7.64 -1.26 -4.99 113.62 114.99 1ujv n SER 5 Ca 0.00 0.63 -0.29 0.00 1.01 0.00 0.00 58.87 60.22 1ujv n SER 5 Cb 0.00 -1.40 0.13 0.00 -1.01 0.00 0.00 64.21 61.93 1ujv n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ujv s SER 6 N 5.99 3.54 -0.29 6.43 0.01 -1.26 -5.10 113.70 123.02 1ujv s SER 6 Ca 0.99 1.17 -0.22 0.00 1.31 0.00 0.00 55.95 59.20 1ujv s SER 6 Cb -0.63 -1.82 0.14 0.00 0.21 0.00 0.00 66.02 63.93 1ujv s SER 6 CO 0.46 -2.56 1.06 -0.83 0.41 0.00 0.00 173.24 171.79 1ujv s GLY 7 N -3.79 -0.03 -1.33 3.44 0.00 -1.26 -5.08 107.32 99.27 1ujv s GLY 7 Ca 0.63 2.94 -0.17 0.00 0.00 0.00 0.00 44.72 48.13 1ujv s GLY 7 CO 0.55 2.12 1.85 -0.18 0.00 0.00 0.00 173.10 177.44 1ujv n GLN 8 N 2.66 3.10 -0.94 2.90 7.27 -1.26 -4.96 117.38 126.15 1ujv n GLN 8 Ca -0.14 -3.12 -0.29 0.00 0.07 0.00 0.00 57.00 53.52 1ujv n GLN 8 Cb 0.57 -3.46 0.18 0.00 2.41 0.00 0.00 30.24 29.94 1ujv n GLN 8 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ujv s ALA 9 N 4.10 0.91 -0.37 1.69 0.00 -1.26 -5.03 121.76 121.80 1ujv s ALA 9 Ca 0.53 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.37 1ujv s ALA 9 Cb 0.06 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.96 1ujv s ALA 9 CO 0.04 -2.88 0.21 -1.21 0.00 0.00 0.00 175.76 171.92 1ujv s GLU 10 N -4.76 2.94 0.60 0.00 2.02 -1.26 -5.10 118.70 113.13 1ujv s GLU 10 Ca 0.65 -1.01 -0.15 0.00 0.02 0.00 0.00 54.97 54.49 1ujv s GLU 10 Cb -0.21 -3.74 -0.03 0.00 0.10 0.00 0.00 34.13 30.25 1ujv s GLU 10 CO 0.59 -0.66 1.05 -0.51 0.02 0.00 0.00 175.26 175.76 1ujv s LEU 11 N 1.58 3.46 -0.37 1.80 2.01 -1.26 -4.19 118.68 121.71 1ujv s LEU 11 Ca 0.03 1.77 -0.19 0.00 0.01 0.00 0.00 54.13 55.74 1ujv s LEU 11 Cb -0.19 -4.53 0.00 0.00 0.01 0.00 0.00 46.19 41.49 1ujv s LEU 11 CO 0.07 -1.16 0.57 -0.04 1.01 0.00 0.00 176.35 176.80 1ujv s MET 12 N -4.21 3.56 -0.05 1.70 -1.94 -0.08 -4.91 119.30 113.37 1ujv s MET 12 Ca 0.62 -0.15 -0.27 0.00 -1.71 0.00 0.00 55.69 54.19 1ujv s MET 12 Cb -0.15 -3.84 -0.03 0.00 2.01 0.00 0.00 34.83 32.82 1ujv s MET 12 CO 0.39 -0.74 0.86 0.99 -0.01 0.00 0.00 175.02 176.51 1ujv s THR 13 N 2.56 4.93 -0.06 2.05 2.01 -1.26 -0.60 115.64 125.28 1ujv s THR 13 Ca 0.21 1.78 -0.08 0.00 0.31 0.00 0.00 61.69 63.92 1ujv s THR 13 Cb -0.15 -4.19 0.02 0.00 0.01 0.00 0.00 72.50 68.18 1ujv s THR 13 CO 0.15 0.17 0.20 -0.76 -0.69 0.00 0.00 174.62 173.69 1ujv s LEU 14 N 1.11 1.27 -0.01 4.42 1.43 0.02 -4.98 118.68 121.93 1ujv s LEU 14 Ca 0.45 0.27 0.06 0.00 -1.03 0.00 0.00 54.13 53.88 1ujv s LEU 14 Cb -0.19 0.73 -0.02 0.00 0.03 0.00 0.00 46.19 46.74 1ujv s LEU 14 CO 0.22 -0.15 -0.19 -0.89 0.23 0.00 0.00 176.35 175.56 1ujv s THR 15 N -0.27 1.53 0.15 5.49 2.01 -1.26 -1.30 115.64 122.00 1ujv s THR 15 Ca -0.04 -0.84 0.06 0.00 0.31 0.00 0.00 61.69 61.18 1ujv s THR 15 Cb -0.03 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.16 1ujv s THR 15 CO 0.01 0.42 -0.13 0.27 -0.69 0.00 0.00 174.62 174.51 1ujv s ILE 16 N -0.47 1.38 -0.16 1.82 -4.36 -0.58 -4.30 121.20 114.53 1ujv s ILE 16 Ca 0.07 -1.99 -0.00 0.00 -0.26 0.00 0.00 60.65 58.47 1ujv s ILE 16 Cb -0.08 -1.80 0.04 0.00 1.25 0.00 0.00 42.46 41.87 1ujv s ILE 16 CO -0.01 -0.60 -0.07 -0.69 0.24 0.00 0.00 174.94 173.81 1ujv s VAL 17 N -2.85 1.20 -0.55 8.37 1.01 -0.16 -0.20 120.40 127.21 1ujv s VAL 17 Ca 0.16 -0.59 -0.28 0.00 0.00 0.00 0.00 61.98 61.27 1ujv s VAL 17 Cb -0.01 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 35.08 1ujv s VAL 17 CO 0.03 0.23 1.48 -0.75 0.00 0.00 0.00 175.10 176.08 1ujv s LYS 18 N 1.61 3.24 -0.00 2.72 2.20 -1.19 -4.58 119.74 123.73 1ujv s LYS 18 Ca 0.02 0.52 -0.05 0.00 -0.36 0.00 0.00 55.97 56.10 1ujv s LYS 18 Cb -0.14 -4.15 -0.03 0.00 -1.51 0.00 0.00 37.83 32.00 1ujv s LYS 18 CO -0.08 -2.01 0.58 0.78 -0.36 0.00 0.00 175.35 174.26 1ujv h GLY 19 N 13.44 -0.17 0.00 5.54 0.00 -1.85 0.15 103.07 120.17 1ujv h GLY 19 Ca -0.27 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1ujv h GLY 19 CO 1.17 -0.06 0.00 0.00 0.00 0.00 0.00 176.54 177.65 1ujv n ALA 20 N -2.17 0.45 -1.79 3.60 0.00 -1.26 -4.46 120.51 114.88 1ujv n ALA 20 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.00 1ujv n ALA 20 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.40 2.65 0.00 0.00 6.02 -1.26 -4.88 117.38 117.51 1ujv n GLN 21 Ca 0.00 -2.59 0.00 0.00 -0.01 0.00 0.00 57.00 54.40 1ujv n GLN 21 Cb 0.00 -3.28 0.00 0.00 1.02 0.00 0.00 30.24 27.98 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 4.44 0.97 0.18 1.08 0.00 -1.26 -1.89 105.19 108.71 1ujv n GLY 22 Ca 0.51 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 46.03 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 0.35 0.02 0.00 1.61 3.72 -1.26 -2.78 117.46 119.12 1ujv n PHE 23 Ca 0.00 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1ujv n PHE 23 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1ujv n PHE 23 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ujv n GLY 24 N 1.01 1.04 3.48 1.37 0.00 -0.79 -4.53 105.19 106.77 1ujv n GLY 24 Ca 0.20 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.65 -4.41 1.61 -1.74 -1.26 -4.45 117.46 106.56 1ujv n PHE 25 Ca 0.00 0.33 -0.23 0.00 -0.56 0.00 0.00 57.45 56.99 1ujv n PHE 25 Cb 0.00 -1.92 -0.11 0.00 1.52 0.00 0.00 39.48 38.97 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 -2.02 2.18 0.47 1.97 -4.23 -0.11 -4.92 115.64 108.98 1ujv s THR 26 Ca 0.65 -2.17 0.04 0.00 -1.18 0.00 0.00 61.69 59.03 1ujv s THR 26 Cb -0.32 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.38 1ujv s THR 26 CO 0.59 -0.34 0.03 0.27 -0.54 0.00 0.00 174.62 174.63 1ujv s ILE 27 N -2.25 1.56 0.35 2.99 -4.36 -1.26 -1.07 121.20 117.16 1ujv s ILE 27 Ca 0.23 -1.97 0.09 0.00 -0.26 0.00 0.00 60.65 58.74 1ujv s ILE 27 Cb -0.05 -2.53 -0.06 0.00 1.25 0.00 0.00 42.46 41.06 1ujv s ILE 27 CO 0.10 0.00 -0.07 0.00 0.24 0.00 0.00 174.94 175.22 1ujv s ALA 28 N -2.79 3.02 0.32 2.27 0.00 -0.39 -4.68 121.76 119.51 1ujv s ALA 28 Ca 0.20 -2.07 -0.28 0.00 0.00 0.00 0.00 51.96 49.80 1ujv s ALA 28 Cb 0.05 -0.11 -0.10 0.00 0.00 0.00 0.00 23.12 22.97 1ujv s ALA 28 CO 0.10 0.07 1.15 0.34 0.00 0.00 0.00 175.76 177.42 1ujv s ASP 29 N -3.64 7.01 0.04 0.00 2.15 -1.26 -3.54 116.67 117.43 1ujv s ASP 29 Ca 0.33 2.36 -0.05 0.00 0.43 0.00 0.00 52.55 55.62 1ujv s ASP 29 Cb 0.02 -2.63 -0.01 0.00 -0.30 0.00 0.00 42.92 40.00 1ujv s ASP 29 CO 0.17 -0.33 0.09 -0.94 -0.17 0.00 0.00 175.17 173.99 1ujv s SER 30 N -0.87 0.19 0.00 -0.34 1.04 -1.25 -4.83 113.70 107.63 1ujv s SER 30 Ca 0.48 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1ujv s SER 30 Cb -0.33 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.02 1ujv s SER 30 CO 0.42 -0.51 0.68 -0.81 0.98 0.00 0.00 173.24 174.01 1ujv n PRO 31 N 0.76 0.98 0.00 4.02 -0.04 -1.26 -3.23 135.00 136.22 1ujv n PRO 31 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1ujv n PRO 31 Cb 0.58 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.19 0.00 0.00 0.52 -2.24 -1.26 -5.13 114.28 105.98 1ujv n THR 32 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ujv n THR 32 Cb 0.15 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 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 1.85 3.84 3.38 0.00 -1.20 -4.90 105.19 108.16 1ujv n GLY 33 Ca 0.00 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.05 3.08 0.04 1.61 -1.52 -1.18 -3.85 119.66 115.79 1ujv s GLN 34 Ca 0.00 0.82 0.04 0.00 -1.95 0.00 0.00 55.36 54.27 1ujv s GLN 34 Cb 0.00 -2.02 -0.02 0.00 -0.22 0.00 0.00 33.01 30.75 1ujv s GLN 34 CO 0.00 -0.96 -0.12 1.03 -0.25 0.00 0.00 175.29 174.99 1ujv s ARG 35 N -5.12 0.82 0.04 2.91 0.52 -1.23 -0.23 118.95 116.66 1ujv s ARG 35 Ca 0.57 -0.74 -0.31 0.00 -0.52 0.00 0.00 55.73 54.74 1ujv s ARG 35 Cb -0.13 -0.79 -0.06 0.00 0.52 0.00 0.00 34.95 34.49 1ujv s ARG 35 CO 0.54 0.19 1.37 0.08 0.02 0.00 0.00 175.30 177.51 1ujv s VAL 36 N -0.93 3.63 -0.24 3.52 1.01 -0.97 -1.26 120.40 125.17 1ujv s VAL 36 Ca -0.01 1.09 -0.14 0.00 0.00 0.00 0.00 61.98 62.92 1ujv s VAL 36 Cb -0.08 -3.70 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 1ujv s VAL 36 CO 0.01 0.03 -0.34 1.17 0.00 0.00 0.00 175.10 175.97 1ujv n LYS 37 N 4.81 0.55 -3.72 2.72 4.81 -0.23 -1.56 118.16 125.55 1ujv n LYS 37 Ca 0.12 0.24 -0.12 0.00 -0.87 0.00 0.00 58.31 57.68 1ujv n LYS 37 Cb 0.44 -1.44 -0.11 0.00 0.02 0.00 0.00 35.03 33.94 1ujv n LYS 37 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1ujv s GLN 38 N -2.59 0.38 -0.13 1.64 2.00 -1.14 -4.88 119.66 114.95 1ujv s GLN 38 Ca -0.35 0.65 -0.19 0.00 -2.00 0.00 0.00 55.36 53.47 1ujv s GLN 38 Cb 0.12 0.05 -0.04 0.00 0.80 0.00 0.00 33.01 33.94 1ujv s GLN 38 CO 0.46 -0.12 0.52 0.42 -0.50 0.00 0.00 175.29 176.07 1ujv s ILE 39 N 0.91 5.15 -0.16 -2.34 1.01 -1.26 -0.94 121.20 123.58 1ujv s ILE 39 Ca -0.06 1.02 0.02 0.00 0.00 0.00 0.00 60.65 61.63 1ujv s ILE 39 Cb -0.06 -3.85 0.05 0.00 0.01 0.00 0.00 42.46 38.60 1ujv s ILE 39 CO -0.07 0.29 1.01 0.18 0.00 0.00 0.00 174.94 176.35 1ujv n LEU 40 N 3.89 2.09 -2.78 2.97 4.77 -1.26 -4.88 117.00 121.78 1ujv n LEU 40 Ca -0.06 -1.93 -0.03 0.00 -0.03 0.00 0.00 56.01 53.96 1ujv n LEU 40 Cb 0.51 -0.04 0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1ujv n LEU 40 CO 0.43 0.52 0.22 -0.62 -1.33 0.00 0.00 177.39 176.61 1ujv s ASP 41 N -0.94 -1.13 0.06 -1.43 -1.08 -1.26 -4.76 116.67 106.13 1ujv s ASP 41 Ca 0.04 -1.24 -0.36 0.00 -0.52 0.00 0.00 52.55 50.47 1ujv s ASP 41 Cb 0.02 1.48 -0.20 0.00 -1.46 0.00 0.00 42.92 42.76 1ujv s ASP 41 CO 0.03 -0.05 1.55 0.40 0.52 0.00 0.00 175.17 177.61 1ujv h ILE 42 N 4.35 0.00 0.00 4.11 5.03 -1.90 -2.19 117.51 126.91 1ujv h ILE 42 Ca 0.04 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.78 1ujv h ILE 42 Cb 1.14 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.93 1ujv h ILE 42 CO -0.01 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.46 1ujv n GLN 43 N -5.52 0.00 -0.16 2.37 6.02 -1.26 -1.53 117.38 117.30 1ujv n GLN 43 Ca -0.16 0.15 -0.06 0.00 -0.01 0.00 0.00 57.00 56.93 1ujv n GLN 43 Cb 0.51 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.38 1ujv n GLN 43 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1ujv h GLY 44 N 3.45 0.99 -5.94 1.08 0.00 -1.68 -3.37 103.07 97.60 1ujv h GLY 44 Ca 0.00 -0.66 -0.59 0.00 0.00 0.00 0.00 47.33 46.08 1ujv h GLY 44 CO 0.00 0.61 -0.69 0.00 0.00 0.00 0.00 176.54 176.46 1ujv s PRO 46 N -2.58 3.78 0.00 0.00 0.04 -1.18 -2.50 135.00 132.58 1ujv s PRO 46 Ca 0.42 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.82 1ujv s PRO 46 Cb 0.19 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1ujv s PRO 46 CO -0.06 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1ujv n GLY 47 N 0.59 2.45 3.75 0.56 0.00 -1.26 -4.34 105.19 106.95 1ujv n GLY 47 Ca 0.04 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 3.84 0.22 0.99 2.96 -1.04 -5.03 118.68 120.62 1ujv s LEU 48 Ca 0.00 2.56 0.00 0.00 -0.22 0.00 0.00 54.13 56.47 1ujv s LEU 48 Cb 0.00 -4.35 -0.05 0.00 0.50 0.00 0.00 46.19 42.29 1ujv s LEU 48 CO 0.00 -1.43 0.09 0.00 -1.32 0.00 0.00 176.35 173.69 1ujv s GLU 50 N -4.07 4.44 0.00 0.00 2.02 -1.26 -3.63 118.70 116.20 1ujv s GLU 50 Ca 0.35 1.22 0.00 0.00 0.02 0.00 0.00 54.97 56.56 1ujv s GLU 50 Cb 0.07 -2.61 0.00 0.00 0.10 0.00 0.00 34.13 31.69 1ujv s GLU 50 CO 0.11 0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.99 1ujv n GLY 51 N 0.18 1.53 3.61 -1.39 0.00 -0.60 -4.95 105.19 103.58 1ujv n GLY 51 Ca 0.03 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 3.19 -4.55 1.61 9.92 -1.24 -4.70 116.55 120.78 1ujv n ASP 52 Ca 0.00 0.69 -0.39 0.00 -0.53 0.00 0.00 54.79 54.56 1ujv n ASP 52 Cb 0.00 -1.40 -0.03 0.00 -0.64 0.00 0.00 41.12 39.05 1ujv n ASP 52 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1ujv s LEU 53 N 5.70 3.24 -0.07 0.64 1.98 -1.26 -2.28 118.68 126.63 1ujv s LEU 53 Ca 0.98 -0.27 -0.30 0.00 -2.89 0.00 0.00 54.13 51.65 1ujv s LEU 53 Cb -0.63 -2.55 -0.05 0.00 0.66 0.00 0.00 46.19 43.62 1ujv s LEU 53 CO 0.47 -2.09 1.63 -0.63 -1.89 0.00 0.00 176.35 173.84 1ujv s ILE 54 N 7.30 3.63 -0.23 6.68 1.01 0.69 -1.04 121.20 139.24 1ujv s ILE 54 Ca 0.51 0.76 -0.13 0.00 0.00 0.00 0.00 60.65 61.79 1ujv s ILE 54 Cb -0.09 -3.50 -0.10 0.00 0.01 0.00 0.00 42.46 38.79 1ujv s ILE 54 CO 0.13 -0.08 -0.32 0.52 0.00 0.00 0.00 174.94 175.20 1ujv n VAL 55 N 5.52 1.39 -4.12 2.92 0.31 -0.05 -3.10 118.33 121.19 1ujv n VAL 55 Ca 0.17 -0.24 -0.15 0.00 -0.01 0.00 0.00 64.34 64.12 1ujv n VAL 55 Cb 0.43 -1.93 -0.13 0.00 -0.91 0.00 0.00 33.84 31.30 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 -2.53 0.46 -0.04 5.55 8.01 -0.91 -0.77 118.70 128.47 1ujv s GLU 56 Ca -0.33 -0.39 0.02 0.00 0.01 0.00 0.00 54.97 54.28 1ujv s GLU 56 Cb 0.11 -0.36 0.01 0.00 -4.31 0.00 0.00 34.13 29.58 1ujv s GLU 56 CO 0.43 0.09 -0.10 0.42 0.01 0.00 0.00 175.26 176.10 1ujv s ILE 57 N -0.58 0.88 -1.61 -1.63 1.01 -0.48 -1.01 121.20 117.77 1ujv s ILE 57 Ca -0.02 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.18 1ujv s ILE 57 Cb -0.05 -0.80 0.05 0.00 0.01 0.00 0.00 42.46 41.67 1ujv s ILE 57 CO 0.00 0.28 0.12 0.59 0.00 0.00 0.00 174.94 175.93 1ujv n ASN 58 N 3.44 0.40 -0.35 3.58 3.02 0.81 -1.03 115.26 125.13 1ujv n ASN 58 Ca -0.20 -1.27 -0.05 0.00 -0.03 0.00 0.00 54.58 53.04 1ujv n ASN 58 Cb 0.53 -1.59 -0.02 0.00 -0.61 0.00 0.00 39.78 38.10 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 -4.47 -1.24 -3.73 3.52 6.02 -1.26 -4.98 117.38 111.23 1ujv n GLN 59 Ca -0.24 0.55 -0.35 0.00 -0.01 0.00 0.00 57.00 56.95 1ujv n GLN 59 Cb 0.65 -4.60 -0.08 0.00 1.02 0.00 0.00 30.24 27.23 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 -1.95 4.18 0.07 -1.09 0.74 -0.20 -5.08 119.66 116.33 1ujv s GLN 60 Ca 0.00 -0.22 -0.32 0.00 0.05 0.00 0.00 55.36 54.87 1ujv s GLN 60 Cb 0.00 -3.42 -0.11 0.00 1.10 0.00 0.00 33.01 30.58 1ujv s GLN 60 CO 0.00 0.31 1.84 -1.71 -0.55 0.00 0.00 175.29 175.18 1ujv n ASN 61 N 3.49 3.83 0.00 6.67 2.85 -1.26 -1.39 115.26 129.45 1ujv n ASN 61 Ca -0.16 0.98 0.00 0.00 -0.11 0.00 0.00 54.58 55.29 1ujv n ASN 61 Cb 0.52 -1.49 0.00 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 4.78 0.00 -0.26 3.44 0.24 0.05 -4.76 118.33 121.81 1ujv n VAL 62 Ca 0.19 -0.49 0.12 0.00 -2.04 0.00 0.00 64.34 62.12 1ujv n VAL 62 Cb 0.35 1.01 0.38 0.00 -1.47 0.00 0.00 33.84 34.11 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 0.66 -0.17 7.34 4.20 -1.43 -2.22 115.11 123.50 1ujv h GLN 63 Ca 0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1ujv h GLN 63 Cb 0.00 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.63 1ujv h GLN 63 CO 0.00 0.44 0.00 0.09 -0.67 0.00 0.00 178.83 178.69 1ujv n ASN 64 N -4.55 2.83 -4.91 1.46 3.02 -1.26 -3.37 115.26 108.47 1ujv n ASN 64 Ca 0.17 -1.90 -0.27 0.00 -0.03 0.00 0.00 54.58 52.55 1ujv n ASN 64 Cb 0.46 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 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 -1.77 3.58 0.48 3.41 1.43 -0.84 -5.09 118.68 119.89 1ujv s LEU 65 Ca 0.34 0.87 -0.19 0.00 -1.03 0.00 0.00 54.13 54.12 1ujv s LEU 65 Cb 0.21 -3.80 -0.09 0.00 0.03 0.00 0.00 46.19 42.54 1ujv s LEU 65 CO 0.31 -0.64 0.98 -0.44 0.23 0.00 0.00 176.35 176.78 1ujv s SER 66 N -4.13 6.69 0.24 2.29 0.01 -1.26 -4.91 113.70 112.62 1ujv s SER 66 Ca 0.48 1.66 -0.15 0.00 1.31 0.00 0.00 55.95 59.26 1ujv s SER 66 Cb -0.10 -2.53 0.30 0.00 0.21 0.00 0.00 66.02 63.90 1ujv s SER 66 CO 0.45 -0.54 1.56 -0.74 0.41 0.00 0.00 173.24 174.38 1ujv h HIS 67 N 1.36 -0.84 -0.81 2.43 2.76 -1.95 0.17 115.15 118.27 1ujv h HIS 67 Ca -0.48 0.09 0.06 0.00 -2.20 0.00 0.00 60.37 57.85 1ujv h HIS 67 Cb 1.19 0.51 -0.06 0.00 1.55 0.00 0.00 27.41 30.60 1ujv h HIS 67 CO 0.62 -0.40 0.49 1.15 -1.30 0.00 0.00 177.93 178.49 1ujv h THR 68 N -0.02 1.02 -0.61 6.26 2.02 -1.97 -0.00 112.91 119.60 1ujv h THR 68 Ca 0.38 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 1ujv h THR 68 Cb 0.63 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.05 1ujv h THR 68 CO -0.95 0.16 0.14 -0.33 0.37 0.00 0.00 175.52 174.92 1ujv h GLU 69 N 0.90 0.96 0.08 6.66 4.39 -1.35 -0.28 114.58 125.93 1ujv h GLU 69 Ca 0.36 -0.21 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1ujv h GLU 69 Cb 0.18 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1ujv h GLU 69 CO -0.18 0.86 -0.04 0.28 -1.16 0.00 0.00 179.01 178.77 1ujv h VAL 70 N 0.92 1.19 -1.01 3.13 2.07 -0.77 -1.99 116.25 119.78 1ujv h VAL 70 Ca 0.20 -1.05 0.23 0.00 0.82 0.00 0.00 66.70 66.89 1ujv h VAL 70 Cb 0.34 1.86 -0.10 0.00 -1.52 0.00 0.00 31.29 31.86 1ujv h VAL 70 CO 0.00 0.25 0.63 0.58 0.02 0.00 0.00 177.57 179.05 1ujv h VAL 71 N -0.59 0.60 -0.13 2.57 2.07 -0.98 -1.85 116.25 117.93 1ujv h VAL 71 Ca -0.01 -0.19 -0.15 0.00 0.82 0.00 0.00 66.70 67.17 1ujv h VAL 71 Cb 0.50 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1ujv h VAL 71 CO 0.02 0.10 -0.57 -0.78 0.02 0.00 0.00 177.57 176.36 1ujv h ASP 72 N 0.54 0.44 0.43 0.57 3.58 -0.71 0.99 116.42 122.27 1ujv h ASP 72 Ca 0.59 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.79 1ujv h ASP 72 Cb 1.23 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 42.13 1ujv h ASP 72 CO -0.35 0.92 -0.50 0.40 -2.88 0.00 0.00 179.24 176.83 1ujv h ILE 73 N 0.30 0.00 -0.46 2.25 2.04 -0.59 0.12 117.51 121.18 1ujv h ILE 73 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1ujv h ILE 73 Cb 1.08 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1ujv h ILE 73 CO 0.10 0.00 0.32 -0.07 0.00 0.00 0.00 178.15 178.49 1ujv h LEU 74 N -0.95 0.16 0.08 1.44 -0.00 -1.27 0.36 115.31 115.14 1ujv h LEU 74 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1ujv h LEU 74 Cb 0.84 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.47 1ujv h LEU 74 CO -0.10 0.10 -0.04 0.11 -0.00 0.00 0.00 178.44 178.51 1ujv h LYS 75 N 0.18 -0.11 -0.51 1.13 1.57 -0.06 -3.02 116.57 115.75 1ujv h LYS 75 Ca 0.21 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1ujv h LYS 75 Cb 0.60 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 1ujv h LYS 75 CO -0.03 0.07 0.30 -0.44 -0.57 0.00 0.00 179.45 178.77 1ujv h ASP 76 N -0.26 0.61 -3.58 0.86 3.32 0.04 -3.46 116.42 113.95 1ujv h ASP 76 Ca -0.01 -0.03 -0.56 0.00 0.02 0.00 0.00 57.03 56.44 1ujv h ASP 76 Cb 0.22 -0.15 0.13 0.00 0.22 0.00 0.00 39.33 39.75 1ujv h ASP 76 CO 0.02 0.48 0.43 0.00 -1.72 0.00 0.00 179.24 178.44 1ujv s PRO 78 N -2.38 4.24 0.23 0.00 0.04 -1.26 -4.97 135.00 130.90 1ujv s PRO 78 Ca 0.65 2.04 -0.32 0.00 0.04 0.00 0.00 61.00 63.42 1ujv s PRO 78 Cb -0.48 -3.69 -0.12 0.00 0.04 0.00 0.00 34.50 30.24 1ujv s PRO 78 CO 0.55 -0.68 1.67 -0.89 0.04 0.00 0.00 177.00 177.69 1ujv n ILE 79 N 4.93 0.32 -1.98 0.56 2.08 -1.26 -2.14 119.36 121.87 1ujv n ILE 79 Ca 0.15 -0.08 -0.14 0.00 0.56 0.00 0.00 62.75 63.23 1ujv n ILE 79 Cb 0.43 -1.93 -0.03 0.00 -0.75 0.00 0.00 39.64 37.37 1ujv n ILE 79 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ujv n GLY 80 N 3.36 0.36 3.86 7.39 0.00 0.52 -4.99 105.19 115.70 1ujv n GLY 80 Ca 0.14 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.53 5.79 0.70 1.61 0.01 -0.91 -4.99 113.70 113.38 1ujv s SER 81 Ca 0.00 -0.09 -0.16 0.00 1.31 0.00 0.00 55.95 57.01 1ujv s SER 81 Cb 0.00 -1.58 0.02 0.00 0.21 0.00 0.00 66.02 64.67 1ujv s SER 81 CO 0.00 0.01 1.23 -1.61 0.41 0.00 0.00 173.24 173.28 1ujv s GLU 82 N -3.51 2.29 -0.03 12.44 8.01 -1.26 -3.14 118.70 133.49 1ujv s GLU 82 Ca 0.33 1.86 -0.01 0.00 0.01 0.00 0.00 54.97 57.16 1ujv s GLU 82 Cb -0.09 -1.84 0.03 0.00 -4.31 0.00 0.00 34.13 27.92 1ujv s GLU 82 CO 0.26 -1.75 0.04 0.99 0.01 0.00 0.00 175.26 174.81 1ujv s THR 83 N -1.79 -0.08 -0.26 3.63 2.01 0.72 -4.96 115.64 114.91 1ujv s THR 83 Ca 0.77 0.31 -0.21 0.00 0.31 0.00 0.00 61.69 62.87 1ujv s THR 83 Cb -0.32 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.06 1ujv s THR 83 CO 0.43 0.13 0.65 -0.44 -0.69 0.00 0.00 174.62 174.70 1ujv s SER 84 N 1.55 6.58 0.19 3.53 0.01 -1.26 -1.53 113.70 122.78 1ujv s SER 84 Ca -0.03 0.68 0.11 0.00 1.31 0.00 0.00 55.95 58.02 1ujv s SER 84 Cb -0.13 -2.34 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 1ujv s SER 84 CO -0.03 -0.41 -0.22 -0.76 0.41 0.00 0.00 173.24 172.23 1ujv s LEU 85 N 2.56 2.45 -0.04 2.44 1.02 -0.42 -0.13 118.68 126.56 1ujv s LEU 85 Ca 0.27 -0.88 0.01 0.00 0.02 0.00 0.00 54.13 53.55 1ujv s LEU 85 Cb -0.15 -1.08 0.02 0.00 0.02 0.00 0.00 46.19 45.00 1ujv s LEU 85 CO 0.09 0.08 -0.05 -0.63 0.02 0.00 0.00 176.35 175.86 1ujv s ILE 86 N -1.83 0.57 0.38 -0.59 1.01 -0.18 -0.80 121.20 119.75 1ujv s ILE 86 Ca 0.20 -0.15 0.08 0.00 0.00 0.00 0.00 60.65 60.79 1ujv s ILE 86 Cb -0.07 -0.59 -0.07 0.00 0.01 0.00 0.00 42.46 41.74 1ujv s ILE 86 CO 0.09 0.23 -0.04 0.27 0.00 0.00 0.00 174.94 175.50 1ujv s ILE 87 N 0.88 2.15 0.00 2.92 -5.25 0.24 -0.87 121.20 121.26 1ujv s ILE 87 Ca -0.12 -2.09 0.00 0.00 -0.99 0.00 0.00 60.65 57.45 1ujv s ILE 87 Cb -0.14 -2.82 0.00 0.00 2.95 0.00 0.00 42.46 42.44 1ujv s ILE 87 CO 0.00 -0.10 0.00 1.57 -1.79 0.00 0.00 174.94 174.62 1ujv n HIS 88 N -0.89 0.00 0.00 1.37 -0.00 -0.21 -0.90 115.22 114.59 1ujv n HIS 88 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 1ujv n HIS 88 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.64 1ujv n HIS 88 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1ujv n ARG 89 N 0.00 0.00 -3.28 1.57 0.63 -1.26 -2.67 116.66 111.65 1ujv n ARG 89 Ca 0.00 0.00 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 1ujv n ARG 89 Cb 0.00 0.00 0.06 0.00 0.45 0.00 0.00 32.46 32.97 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 0.00 -1.16 0.00 5.14 0.00 -1.26 -4.90 105.19 103.02 1ujv n GLY 90 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 -3.07 0.66 -1.31 1.61 7.64 -1.26 -4.77 113.62 113.12 1ujv n SER 91 Ca -0.07 0.00 0.17 0.00 1.01 0.00 0.00 58.87 59.98 1ujv n SER 91 Cb 0.61 0.09 -0.05 0.00 -1.01 0.00 0.00 64.21 63.85 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 0.63 -2.02 3.68 0.23 0.00 -1.26 -4.86 105.19 101.59 1ujv n GLY 92 Ca 0.00 -0.96 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.91 -0.82 -3.46 1.61 -0.04 -1.26 -4.69 135.00 122.43 1ujv n PRO 93 Ca -0.02 -2.19 -0.17 0.00 -0.04 0.00 0.00 63.50 61.09 1ujv n PRO 93 Cb 0.66 -1.06 0.01 0.00 -0.04 0.00 0.00 33.50 33.07 1ujv n PRO 93 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ujv n SER 94 N -3.49 -6.19 -4.07 3.54 7.64 -1.26 -5.06 113.62 104.73 1ujv n SER 94 Ca 0.16 -0.62 -0.30 0.00 1.01 0.00 0.00 58.87 59.11 1ujv n SER 94 Cb 0.55 -3.66 0.20 0.00 -1.01 0.00 0.00 64.21 60.29 1ujv n SER 94 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujv s SER 95 N -3.13 2.66 0.00 6.43 0.15 -1.26 -5.24 113.70 113.31 1ujv s SER 95 Ca 0.14 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1ujv s SER 95 Cb -0.05 -0.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.82 1ujv s SER 95 CO 0.82 -3.02 0.00 0.61 1.20 0.00 0.00 173.24 172.85