#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 4.39 0.00 1.61 0.01 -1.26 -4.50 113.70 113.95 1ujv s SER 2 Ca 0.00 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1ujv s SER 2 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1ujv s SER 2 CO 0.00 -3.50 0.07 -1.54 0.41 0.00 0.00 173.24 168.68 1ujv n SER 3 N 16.73 0.14 0.00 2.44 3.41 -1.26 -4.94 113.62 130.13 1ujv n SER 3 Ca 0.44 -0.64 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1ujv n SER 3 Cb 0.45 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1ujv n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujv n GLY 4 N 0.09 0.11 3.52 5.00 0.00 -1.26 -4.99 105.19 107.66 1ujv n GLY 4 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.12 2.11 -3.84 1.61 7.64 -1.26 -4.87 113.62 113.88 1ujv n SER 5 Ca 0.00 -0.02 -0.07 0.00 1.01 0.00 0.00 58.87 59.79 1ujv n SER 5 Cb 0.00 -1.38 -0.02 0.00 -1.01 0.00 0.00 64.21 61.79 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 9.66 -0.24 0.00 6.43 0.01 -1.26 -4.76 113.70 123.55 1ujv s SER 6 Ca 1.08 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.68 1ujv s SER 6 Cb -0.57 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1ujv s SER 6 CO 0.38 -1.34 0.00 0.61 0.41 0.00 0.00 173.24 173.30 1ujv n GLY 7 N -0.46 1.58 3.77 3.44 0.00 -1.26 -4.89 105.19 107.37 1ujv n GLY 7 Ca -0.04 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1ujv n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ujv s GLN 8 N 0.00 4.14 0.02 1.61 2.00 -1.26 -5.03 119.66 121.15 1ujv s GLN 8 Ca 0.00 2.54 0.00 0.00 -2.00 0.00 0.00 55.36 55.90 1ujv s GLN 8 Cb 0.00 -3.00 -0.00 0.00 0.80 0.00 0.00 33.01 30.81 1ujv s GLN 8 CO 0.00 -0.53 0.03 0.00 -0.50 0.00 0.00 175.29 174.29 1ujv n ALA 9 N 1.05 0.00 -2.25 1.58 0.00 -1.26 -5.07 120.51 114.56 1ujv n ALA 9 Ca 0.03 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 1ujv n ALA 9 Cb 0.39 0.10 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 1ujv n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1ujv s GLU 10 N -2.07 3.36 0.90 0.00 2.02 -1.26 -5.04 118.70 116.61 1ujv s GLU 10 Ca 0.02 0.90 -0.15 0.00 0.02 0.00 0.00 54.97 55.76 1ujv s GLU 10 Cb 0.00 -4.12 0.22 0.00 0.10 0.00 0.00 34.13 30.33 1ujv s GLU 10 CO 0.02 -1.83 0.76 1.28 0.02 0.00 0.00 175.26 175.50 1ujv n LEU 11 N 9.71 0.00 -4.77 1.80 7.99 -1.26 -4.59 117.00 125.87 1ujv n LEU 11 Ca 0.17 -0.80 -0.39 0.00 -0.01 0.00 0.00 56.01 54.99 1ujv n LEU 11 Cb 0.48 -0.71 -0.06 0.00 -0.11 0.00 0.00 43.42 43.02 1ujv n LEU 11 CO 0.70 -1.91 0.26 -0.04 -1.51 0.00 0.00 177.39 174.89 1ujv s MET 12 N -4.73 4.26 -0.01 3.23 -1.94 -1.01 -4.64 119.30 114.46 1ujv s MET 12 Ca 0.50 0.67 0.04 0.00 -1.71 0.00 0.00 55.69 55.19 1ujv s MET 12 Cb -0.05 -3.32 -0.03 0.00 2.01 0.00 0.00 34.83 33.43 1ujv s MET 12 CO 0.39 0.42 -0.11 0.99 -0.01 0.00 0.00 175.02 176.70 1ujv s THR 13 N -0.35 3.30 0.24 2.05 2.01 -1.26 -0.54 115.64 121.09 1ujv s THR 13 Ca 0.29 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.50 1ujv s THR 13 Cb -0.18 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.90 1ujv s THR 13 CO 0.16 0.46 0.05 -0.76 -0.69 0.00 0.00 174.62 173.85 1ujv s LEU 14 N -1.16 1.89 0.06 4.42 1.43 0.10 -4.96 118.68 120.46 1ujv s LEU 14 Ca 0.14 -1.30 0.02 0.00 -1.03 0.00 0.00 54.13 51.96 1ujv s LEU 14 Cb -0.11 -0.07 -0.03 0.00 0.03 0.00 0.00 46.19 46.01 1ujv s LEU 14 CO 0.04 -0.64 -0.08 -0.89 0.23 0.00 0.00 176.35 175.01 1ujv s THR 15 N -3.64 0.64 0.10 5.49 2.01 -1.26 -1.31 115.64 117.66 1ujv s THR 15 Ca 0.33 -1.36 -0.06 0.00 0.31 0.00 0.00 61.69 60.91 1ujv s THR 15 Cb 0.07 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 1ujv s THR 15 CO 0.10 -0.52 0.13 0.27 -0.69 0.00 0.00 174.62 173.91 1ujv s ILE 16 N -2.06 0.14 -0.19 1.82 -4.36 -0.57 -4.21 121.20 111.77 1ujv s ILE 16 Ca -0.03 -1.50 0.01 0.00 -0.26 0.00 0.00 60.65 58.87 1ujv s ILE 16 Cb -0.05 -1.59 0.04 0.00 1.25 0.00 0.00 42.46 42.11 1ujv s ILE 16 CO -0.01 -0.65 -0.10 -0.69 0.24 0.00 0.00 174.94 173.73 1ujv s VAL 17 N -3.93 1.61 -0.19 8.37 1.01 -0.84 -0.68 120.40 125.75 1ujv s VAL 17 Ca 0.11 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.84 1ujv s VAL 17 Cb 0.06 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 1ujv s VAL 17 CO -0.07 0.19 1.71 -0.75 0.00 0.00 0.00 175.10 176.18 1ujv s LYS 18 N 1.41 3.78 0.00 2.72 2.20 -1.24 -4.69 119.74 123.93 1ujv s LYS 18 Ca -0.01 1.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.41 1ujv s LYS 18 Cb -0.16 -4.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.08 1ujv s LYS 18 CO -0.08 -1.32 0.12 0.41 -0.36 0.00 0.00 175.35 174.12 1ujv n GLY 19 N 4.73 0.37 3.38 5.54 0.00 -1.03 -0.96 105.19 117.21 1ujv n GLY 19 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.39 -1.19 0.00 4.61 0.00 -1.26 -4.50 121.76 116.03 1ujv s ALA 20 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1ujv s ALA 20 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1ujv s ALA 20 CO 0.00 -0.23 0.00 1.04 0.00 0.00 0.00 175.76 176.57 1ujv n GLN 21 N 2.85 0.00 0.00 0.00 1.13 -1.26 -4.64 117.38 115.46 1ujv n GLN 21 Ca -0.14 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.92 1ujv n GLN 21 Cb 0.57 -1.05 0.00 0.00 0.11 0.00 0.00 30.24 29.86 1ujv n GLN 21 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ujv n GLY 22 N 0.00 2.08 3.91 1.08 0.00 -1.26 -5.08 105.19 105.92 1ujv n GLY 22 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1ujv n GLY 22 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ujv s PHE 23 N 0.34 3.47 0.09 1.61 0.40 -1.26 -2.46 117.98 120.17 1ujv s PHE 23 Ca 0.00 0.56 -0.15 0.00 -0.60 0.00 0.00 56.93 56.74 1ujv s PHE 23 Cb 0.00 -2.02 -0.11 0.00 0.51 0.00 0.00 43.02 41.39 1ujv s PHE 23 CO 0.00 0.28 1.36 0.78 0.70 0.00 0.00 175.22 178.35 1ujv h GLY 24 N 2.03 0.75 -1.11 4.36 0.00 -1.90 -3.46 103.07 103.75 1ujv h GLY 24 Ca -0.47 -0.87 -0.46 0.00 0.00 0.00 0.00 47.33 45.53 1ujv h GLY 24 CO 0.68 0.78 0.10 -0.11 0.00 0.00 0.00 176.54 177.99 1ujv s PHE 25 N -4.12 1.60 0.14 5.60 -0.71 -1.26 -4.45 117.98 114.77 1ujv s PHE 25 Ca -0.12 1.29 0.08 0.00 -1.04 0.00 0.00 56.93 57.14 1ujv s PHE 25 Cb 0.08 -3.17 -0.04 0.00 -1.21 0.00 0.00 43.02 38.68 1ujv s PHE 25 CO 0.84 -3.39 -0.18 0.95 -1.34 0.00 0.00 175.22 172.10 1ujv s THR 26 N -2.61 1.70 0.40 -4.49 -4.23 -0.16 -4.93 115.64 101.33 1ujv s THR 26 Ca 0.67 -1.76 0.06 0.00 -1.18 0.00 0.00 61.69 59.49 1ujv s THR 26 Cb -0.23 -1.69 -0.07 0.00 1.34 0.00 0.00 72.50 71.85 1ujv s THR 26 CO 0.62 -0.25 0.02 0.27 -0.54 0.00 0.00 174.62 174.74 1ujv s ILE 27 N -1.76 1.82 0.02 2.99 -4.36 -1.26 -1.21 121.20 117.44 1ujv s ILE 27 Ca 0.11 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.49 1ujv s ILE 27 Cb -0.07 -2.92 -0.01 0.00 1.25 0.00 0.00 42.46 40.71 1ujv s ILE 27 CO 0.05 0.00 0.01 0.00 0.24 0.00 0.00 174.94 175.24 1ujv s ALA 28 N -2.81 0.01 0.50 2.27 0.00 0.44 -4.45 121.76 117.72 1ujv s ALA 28 Ca 0.33 -0.47 -0.21 0.00 0.00 0.00 0.00 51.96 51.61 1ujv s ALA 28 Cb 0.09 0.14 -0.07 0.00 0.00 0.00 0.00 23.12 23.28 1ujv s ALA 28 CO 0.17 -0.17 1.12 0.34 0.00 0.00 0.00 175.76 177.22 1ujv s ASP 29 N -1.40 6.05 0.13 0.00 -1.08 -1.26 -0.51 116.67 118.60 1ujv s ASP 29 Ca -0.15 2.17 -0.09 0.00 -0.52 0.00 0.00 52.55 53.96 1ujv s ASP 29 Cb -0.09 -2.59 -0.01 0.00 -1.46 0.00 0.00 42.92 38.78 1ujv s ASP 29 CO -0.00 -0.99 0.24 -0.94 0.52 0.00 0.00 175.17 174.00 1ujv s SER 30 N -1.65 0.07 0.00 -0.34 1.04 -0.50 -4.79 113.70 107.54 1ujv s SER 30 Ca 0.68 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 56.33 1ujv s SER 30 Cb -0.24 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1ujv s SER 30 CO 0.28 -0.82 0.34 -0.81 0.98 0.00 0.00 173.24 173.22 1ujv n PRO 31 N -0.15 0.40 0.00 4.02 -0.04 -1.26 -2.41 135.00 135.56 1ujv n PRO 31 Ca -0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1ujv n PRO 31 Cb 0.63 -1.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.03 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 -0.28 0.00 0.00 0.52 -2.24 -1.26 -5.15 114.28 105.87 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 0.03 1.29 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 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 0.51 3.81 3.38 0.00 -1.01 -5.01 105.19 106.88 1ujv n GLY 33 Ca 0.00 -2.22 -0.35 0.00 0.00 0.00 0.00 46.02 43.45 1ujv n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ujv s GLN 34 N -0.39 4.28 0.24 1.61 -1.52 -1.26 -1.41 119.66 121.22 1ujv s GLN 34 Ca 0.00 1.00 0.06 0.00 -1.95 0.00 0.00 55.36 54.47 1ujv s GLN 34 Cb 0.00 -2.60 -0.05 0.00 -0.22 0.00 0.00 33.01 30.14 1ujv s GLN 34 CO 0.00 0.21 -0.07 1.03 -0.25 0.00 0.00 175.29 176.22 1ujv s ARG 35 N -2.50 1.42 -0.29 2.91 0.52 0.34 -0.69 118.95 120.66 1ujv s ARG 35 Ca 0.52 -1.70 -0.29 0.00 -0.52 0.00 0.00 55.73 53.74 1ujv s ARG 35 Cb -0.14 -0.98 0.01 0.00 0.52 0.00 0.00 34.95 34.36 1ujv s ARG 35 CO 0.19 0.04 1.09 0.08 0.02 0.00 0.00 175.30 176.72 1ujv s VAL 36 N -3.12 4.52 -0.02 3.52 1.01 -0.77 -0.42 120.40 125.11 1ujv s VAL 36 Ca 0.27 1.78 -0.16 0.00 0.00 0.00 0.00 61.98 63.87 1ujv s VAL 36 Cb 0.03 -4.35 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 1ujv s VAL 36 CO 0.09 -0.39 0.73 0.50 0.00 0.00 0.00 175.10 176.03 1ujv h LYS 37 N 8.00 -0.54 -3.17 2.72 3.64 -1.38 -2.09 116.57 123.76 1ujv h LYS 37 Ca -0.21 0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.12 1ujv h LYS 37 Cb 1.06 0.12 -0.17 0.00 -0.41 0.00 0.00 32.23 32.84 1ujv h LYS 37 CO 1.02 -0.36 -0.20 -1.14 -2.27 0.00 0.00 179.45 176.50 1ujv s GLN 38 N -3.45 0.84 -0.36 1.90 0.74 -1.16 -4.82 119.66 113.35 1ujv s GLN 38 Ca -0.08 -0.42 -0.09 0.00 0.05 0.00 0.00 55.36 54.82 1ujv s GLN 38 Cb 0.01 0.37 0.03 0.00 1.10 0.00 0.00 33.01 34.52 1ujv s GLN 38 CO 0.25 -0.27 0.17 0.42 -0.55 0.00 0.00 175.29 175.31 1ujv s ILE 39 N -2.39 4.30 -1.55 -2.34 1.01 -1.26 -0.99 121.20 117.98 1ujv s ILE 39 Ca -0.06 -0.95 0.18 0.00 0.00 0.00 0.00 60.65 59.82 1ujv s ILE 39 Cb -0.01 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1ujv s ILE 39 CO -0.02 -0.22 0.91 0.18 0.00 0.00 0.00 174.94 175.79 1ujv n LEU 40 N 4.93 1.63 -2.87 2.97 7.99 -1.26 -4.81 117.00 125.58 1ujv n LEU 40 Ca -0.12 -0.72 -0.12 0.00 -0.01 0.00 0.00 56.01 55.04 1ujv n LEU 40 Cb 0.46 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.79 1ujv n LEU 40 CO 0.35 0.32 0.07 -0.67 -1.51 0.00 0.00 177.39 175.95 1ujv n ASP 41 N -0.30 -2.07 0.39 -1.43 2.03 -1.26 -4.87 116.55 109.04 1ujv n ASP 41 Ca 0.07 -3.16 -0.15 0.00 0.52 0.00 0.00 54.79 52.07 1ujv n ASP 41 Cb 0.37 1.18 -0.07 0.00 -0.72 0.00 0.00 41.12 41.88 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 2.72 0.00 0.00 5.18 2.04 -1.88 -2.27 117.51 123.30 1ujv h ILE 42 Ca -0.09 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1ujv h ILE 42 Cb 0.99 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1ujv h ILE 42 CO 0.36 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.51 1ujv n GLN 43 N -4.72 0.09 0.15 2.37 6.02 -1.26 -0.96 117.38 119.08 1ujv n GLN 43 Ca -0.12 0.39 0.04 0.00 -0.01 0.00 0.00 57.00 57.29 1ujv n GLN 43 Cb 0.39 -1.70 0.11 0.00 1.02 0.00 0.00 30.24 30.07 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 1.88 0.00 -6.57 1.08 0.00 -1.76 -3.39 103.07 94.31 1ujv h GLY 44 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1ujv h GLY 44 CO 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 176.54 175.78 1ujv s PRO 46 N -1.19 1.40 0.00 0.00 0.04 -1.23 -3.63 135.00 130.40 1ujv s PRO 46 Ca 0.31 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1ujv s PRO 46 Cb 0.04 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1ujv s PRO 46 CO -0.14 -2.34 0.00 0.41 0.04 0.00 0.00 177.00 174.97 1ujv n GLY 47 N -0.12 0.73 3.49 0.56 0.00 -1.26 -4.65 105.19 103.95 1ujv n GLY 47 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 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 0.22 -4.23 0.99 7.94 -1.24 -5.05 117.00 115.63 1ujv n LEU 48 Ca 0.00 1.15 -0.14 0.00 -1.11 0.00 0.00 56.01 55.91 1ujv n LEU 48 Cb 0.00 -1.11 -0.10 0.00 0.53 0.00 0.00 43.42 42.73 1ujv n LEU 48 CO 0.00 -2.24 -0.41 0.00 -1.11 0.00 0.00 177.39 173.63 1ujv s GLU 50 N -3.69 3.09 0.00 0.00 2.02 -1.26 -2.64 118.70 116.22 1ujv s GLU 50 Ca 0.15 2.26 0.00 0.00 0.02 0.00 0.00 54.97 57.40 1ujv s GLU 50 Cb 0.03 -2.24 0.00 0.00 0.10 0.00 0.00 34.13 32.02 1ujv s GLU 50 CO -0.00 -1.24 0.00 0.41 0.02 0.00 0.00 175.26 174.45 1ujv n GLY 51 N 0.74 0.59 3.62 -1.39 0.00 -0.79 -4.92 105.19 103.04 1ujv n GLY 51 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.51 5.84 -0.02 1.61 1.01 -1.08 -4.77 116.67 116.76 1ujv s ASP 52 Ca 0.00 1.90 -0.29 0.00 0.71 0.00 0.00 52.55 54.87 1ujv s ASP 52 Cb 0.00 -2.52 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 1ujv s ASP 52 CO 0.00 -1.65 0.96 -0.22 0.21 0.00 0.00 175.17 174.47 1ujv s LEU 53 N 6.92 4.35 -0.14 1.23 2.96 -1.26 -1.85 118.68 130.89 1ujv s LEU 53 Ca 0.91 1.61 -0.15 0.00 -0.22 0.00 0.00 54.13 56.28 1ujv s LEU 53 Cb -0.32 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.80 1ujv s LEU 53 CO 0.35 -0.27 0.34 -0.63 -1.32 0.00 0.00 176.35 174.82 1ujv s ILE 54 N 1.10 5.27 -0.14 6.68 1.01 0.13 -0.49 121.20 134.76 1ujv s ILE 54 Ca 0.50 0.66 -0.08 0.00 0.00 0.00 0.00 60.65 61.73 1ujv s ILE 54 Cb -0.20 -3.68 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 1ujv s ILE 54 CO 0.26 0.39 -0.20 0.52 0.00 0.00 0.00 174.94 175.91 1ujv n VAL 55 N 3.50 0.90 -4.01 2.92 0.31 0.14 -4.21 118.33 117.88 1ujv n VAL 55 Ca -0.11 -0.17 -0.10 0.00 -0.01 0.00 0.00 64.34 63.95 1ujv n VAL 55 Cb 0.52 -1.74 -0.11 0.00 -0.91 0.00 0.00 33.84 31.60 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 -2.30 0.40 -0.08 5.55 2.02 -1.15 -0.48 118.70 122.66 1ujv s GLU 56 Ca -0.21 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.10 1ujv s GLU 56 Cb 0.08 -0.03 0.02 0.00 0.10 0.00 0.00 34.13 34.30 1ujv s GLU 56 CO 0.27 -0.02 -0.06 0.42 0.02 0.00 0.00 175.26 175.88 1ujv s ILE 57 N -1.54 0.80 -1.31 -1.63 1.01 -0.70 -1.09 121.20 116.75 1ujv s ILE 57 Ca -0.13 -0.21 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 1ujv s ILE 57 Cb -0.09 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.58 1ujv s ILE 57 CO -0.01 0.31 0.32 0.59 0.00 0.00 0.00 174.94 176.14 1ujv n ASN 58 N 4.47 -1.44 0.00 3.58 3.02 0.09 -0.67 115.26 124.31 1ujv n ASN 58 Ca -0.17 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.15 1ujv n ASN 58 Cb 0.51 -1.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.18 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 -4.64 0.00 -2.29 3.52 6.02 -1.26 -4.96 117.38 113.76 1ujv n GLN 59 Ca -0.21 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.36 1ujv n GLN 59 Cb 0.60 -3.96 -0.03 0.00 1.02 0.00 0.00 30.24 27.87 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 4.30 0.17 -1.09 0.74 0.16 -4.98 119.66 118.68 1ujv s GLN 60 Ca 0.00 1.88 -0.32 0.00 0.05 0.00 0.00 55.36 56.97 1ujv s GLN 60 Cb 0.00 -3.57 -0.11 0.00 1.10 0.00 0.00 33.01 30.43 1ujv s GLN 60 CO 0.00 -0.54 1.62 1.21 -0.55 0.00 0.00 175.29 177.03 1ujv s ASN 61 N 1.77 6.53 0.00 6.67 3.84 -1.26 -1.72 114.94 130.77 1ujv s ASN 61 Ca 0.61 2.68 0.00 0.00 0.21 0.00 0.00 52.86 56.37 1ujv s ASN 61 Cb -0.29 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 37.81 1ujv s ASN 61 CO 0.25 -0.87 0.51 1.33 -2.79 0.00 0.00 177.10 175.52 1ujv n VAL 62 N 4.03 0.25 -0.33 -5.21 0.24 0.36 -4.69 118.33 112.97 1ujv n VAL 62 Ca 0.15 -0.43 0.16 0.00 -2.04 0.00 0.00 64.34 62.17 1ujv n VAL 62 Cb 0.38 1.11 0.38 0.00 -1.47 0.00 0.00 33.84 34.23 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 0.63 -0.47 7.34 1.08 -1.42 -2.98 115.11 119.29 1ujv h GLN 63 Ca 0.00 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 1ujv h GLN 63 Cb 0.40 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 1ujv h GLN 63 CO 0.00 0.42 0.05 0.09 -0.95 0.00 0.00 178.83 178.43 1ujv n ASN 64 N -4.73 4.65 -4.45 1.46 4.13 -1.26 -4.65 115.26 110.40 1ujv n ASN 64 Ca 0.24 -3.07 -0.29 0.00 1.68 0.00 0.00 54.58 53.13 1ujv n ASN 64 Cb 0.65 -0.64 -0.12 0.00 -1.54 0.00 0.00 39.78 38.13 1ujv n ASN 64 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ujv s LEU 65 N -2.87 2.57 0.65 3.41 1.43 -1.13 -5.13 118.68 117.61 1ujv s LEU 65 Ca 0.49 -0.64 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 1ujv s LEU 65 Cb 0.39 -1.42 -0.00 0.00 0.03 0.00 0.00 46.19 45.19 1ujv s LEU 65 CO 0.12 0.17 1.12 -0.44 0.23 0.00 0.00 176.35 177.55 1ujv s SER 66 N -2.16 5.10 0.16 2.29 0.01 -1.26 -4.72 113.70 113.11 1ujv s SER 66 Ca 0.17 2.07 -0.20 0.00 1.31 0.00 0.00 55.95 59.29 1ujv s SER 66 Cb -0.10 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.63 1ujv s SER 66 CO 0.09 -1.64 1.64 -0.74 0.41 0.00 0.00 173.24 173.00 1ujv h HIS 67 N 0.17 -0.51 0.00 2.43 2.76 -1.97 -0.97 115.15 117.06 1ujv h HIS 67 Ca -0.47 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 57.72 1ujv h HIS 67 Cb 1.25 0.27 -0.00 0.00 1.55 0.00 0.00 27.41 30.48 1ujv h HIS 67 CO 0.53 -0.28 -0.09 1.15 -1.30 0.00 0.00 177.93 177.94 1ujv h THR 68 N -0.16 0.54 -0.12 6.26 2.02 -1.98 -1.15 112.91 118.32 1ujv h THR 68 Ca 0.17 -0.42 -0.18 0.00 0.77 0.00 0.00 66.41 66.75 1ujv h THR 68 Cb 0.41 1.28 0.01 0.00 -1.74 0.00 0.00 68.15 68.11 1ujv h THR 68 CO -0.42 0.09 -0.63 -0.33 0.37 0.00 0.00 175.52 174.61 1ujv h GLU 69 N 0.00 0.63 -0.66 6.66 4.39 -1.56 0.84 114.58 124.89 1ujv h GLU 69 Ca -0.00 -0.52 -0.07 0.00 0.34 0.00 0.00 59.36 59.11 1ujv h GLU 69 Cb 0.27 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.00 1ujv h GLU 69 CO 0.01 1.14 0.14 0.28 -1.16 0.00 0.00 179.01 179.42 1ujv h VAL 70 N 0.29 1.26 -0.51 3.13 2.07 -0.96 -0.51 116.25 121.02 1ujv h VAL 70 Ca -0.04 -0.98 0.06 0.00 0.82 0.00 0.00 66.70 66.56 1ujv h VAL 70 Cb 1.27 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1ujv h VAL 70 CO 0.13 0.37 0.21 0.58 0.02 0.00 0.00 177.57 178.88 1ujv h VAL 71 N 0.99 0.87 -0.69 2.57 2.07 -1.14 -1.99 116.25 118.92 1ujv h VAL 71 Ca 0.20 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 1ujv h VAL 71 Cb 0.40 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1ujv h VAL 71 CO 0.01 0.07 0.33 -0.78 0.02 0.00 0.00 177.57 177.22 1ujv h ASP 72 N 0.41 0.91 -0.32 0.57 1.82 0.17 0.13 116.42 120.11 1ujv h ASP 72 Ca 0.24 -0.13 -0.06 0.00 -0.39 0.00 0.00 57.03 56.68 1ujv h ASP 72 Cb 0.22 -0.23 -0.01 0.00 0.68 0.00 0.00 39.33 39.98 1ujv h ASP 72 CO -0.21 0.79 -0.02 0.40 -1.61 0.00 0.00 179.24 178.58 1ujv h ILE 73 N 0.97 1.27 -0.16 2.25 2.04 -1.03 0.02 117.51 122.85 1ujv h ILE 73 Ca 0.24 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.06 1ujv h ILE 73 Cb 0.12 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1ujv h ILE 73 CO -0.03 0.33 -0.01 -0.07 0.00 0.00 0.00 178.15 178.37 1ujv h LEU 74 N 0.38 0.21 -0.46 1.44 3.38 -0.85 -1.32 115.31 118.10 1ujv h LEU 74 Ca 0.09 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 1ujv h LEU 74 Cb 0.49 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1ujv h LEU 74 CO 0.02 0.27 -0.30 0.11 0.09 0.00 0.00 178.44 178.63 1ujv h LYS 75 N 0.23 0.96 -0.70 1.13 1.57 -0.17 -3.15 116.57 116.45 1ujv h LYS 75 Ca 0.06 -0.45 0.01 0.00 -1.87 0.00 0.00 60.65 58.39 1ujv h LYS 75 Cb 0.19 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1ujv h LYS 75 CO 0.00 1.12 0.46 0.22 -0.57 0.00 0.00 179.45 180.69 1ujv h ASP 76 N 0.81 0.79 -2.99 0.86 3.58 -0.22 -3.44 116.42 115.81 1ujv h ASP 76 Ca 0.09 -0.02 -0.57 0.00 0.42 0.00 0.00 57.03 56.95 1ujv h ASP 76 Cb 0.88 -0.20 0.09 0.00 1.72 0.00 0.00 39.33 41.83 1ujv h ASP 76 CO 0.08 0.57 0.60 0.00 -2.88 0.00 0.00 179.24 177.61 1ujv s PRO 78 N -1.00 3.64 0.13 0.00 0.04 -1.26 -5.00 135.00 131.54 1ujv s PRO 78 Ca 0.63 2.21 -0.30 0.00 0.04 0.00 0.00 61.00 63.57 1ujv s PRO 78 Cb -0.60 -2.55 -0.06 0.00 0.04 0.00 0.00 34.50 31.33 1ujv s PRO 78 CO 0.54 -0.78 1.07 0.42 0.04 0.00 0.00 177.00 178.29 1ujv s ILE 79 N -1.29 4.15 -0.74 0.56 1.01 -1.26 -3.69 121.20 119.93 1ujv s ILE 79 Ca 0.63 1.75 0.00 0.00 0.00 0.00 0.00 60.65 63.03 1ujv s ILE 79 Cb -0.39 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 37.96 1ujv s ILE 79 CO 0.49 0.25 0.00 0.61 0.00 0.00 0.00 174.94 176.29 1ujv n GLY 80 N 2.36 0.18 3.28 6.18 0.00 -0.13 -5.00 105.19 112.06 1ujv n GLY 80 Ca 0.04 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.67 2.06 0.16 1.61 0.01 -1.24 -5.00 113.70 108.64 1ujv s SER 81 Ca 0.00 -1.01 -0.30 0.00 1.31 0.00 0.00 55.95 55.95 1ujv s SER 81 Cb 0.00 -0.05 -0.07 0.00 0.21 0.00 0.00 66.02 66.10 1ujv s SER 81 CO 0.00 -0.27 1.12 -1.61 0.41 0.00 0.00 173.24 172.89 1ujv s GLU 82 N -3.69 4.56 -0.17 12.44 8.01 -1.26 -3.67 118.70 134.91 1ujv s GLU 82 Ca 0.18 1.74 -0.06 0.00 0.01 0.00 0.00 54.97 56.84 1ujv s GLU 82 Cb 0.01 -3.28 -0.04 0.00 -4.31 0.00 0.00 34.13 26.51 1ujv s GLU 82 CO 0.03 0.02 0.03 0.99 0.01 0.00 0.00 175.26 176.33 1ujv s THR 83 N -0.05 4.51 0.02 3.63 2.01 0.14 -4.97 115.64 120.94 1ujv s THR 83 Ca 0.51 -0.13 -0.22 0.00 0.31 0.00 0.00 61.69 62.16 1ujv s THR 83 Cb -0.30 -3.02 -0.06 0.00 0.01 0.00 0.00 72.50 69.14 1ujv s THR 83 CO 0.34 0.47 0.65 -0.44 -0.69 0.00 0.00 174.62 174.95 1ujv s SER 84 N 0.38 7.06 0.21 3.53 0.01 -1.26 -1.52 113.70 122.12 1ujv s SER 84 Ca 0.01 1.27 0.01 0.00 1.31 0.00 0.00 55.95 58.55 1ujv s SER 84 Cb -0.13 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 1ujv s SER 84 CO 0.01 0.10 0.06 -0.76 0.41 0.00 0.00 173.24 173.06 1ujv s LEU 85 N -0.29 1.76 0.00 2.44 1.02 -0.43 -0.73 118.68 122.46 1ujv s LEU 85 Ca 0.33 -1.30 0.03 0.00 0.02 0.00 0.00 54.13 53.21 1ujv s LEU 85 Cb -0.19 0.05 -0.01 0.00 0.02 0.00 0.00 46.19 46.06 1ujv s LEU 85 CO 0.19 -0.68 -0.10 -0.63 0.02 0.00 0.00 176.35 175.15 1ujv s ILE 86 N -3.78 0.77 0.08 -0.59 1.01 -0.25 -0.72 121.20 117.72 1ujv s ILE 86 Ca 0.32 -0.53 0.05 0.00 0.00 0.00 0.00 60.65 60.49 1ujv s ILE 86 Cb 0.07 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.84 1ujv s ILE 86 CO 0.09 0.13 -0.14 0.27 0.00 0.00 0.00 174.94 175.29 1ujv s ILE 87 N -0.39 1.16 -0.78 2.92 -5.25 0.30 -0.68 121.20 118.47 1ujv s ILE 87 Ca 0.02 -1.39 -0.24 0.00 -0.99 0.00 0.00 60.65 58.05 1ujv s ILE 87 Cb -0.05 -1.17 0.06 0.00 2.95 0.00 0.00 42.46 44.25 1ujv s ILE 87 CO -0.00 -0.26 1.19 -2.28 -1.79 0.00 0.00 174.94 171.80 1ujv s HIS 88 N -1.44 2.55 0.00 1.37 5.65 0.36 -2.40 115.29 121.37 1ujv s HIS 88 Ca 0.00 -0.50 0.00 0.00 0.25 0.00 0.00 55.06 54.81 1ujv s HIS 88 Cb -0.09 -4.49 0.00 0.00 -1.18 0.00 0.00 32.58 26.82 1ujv s HIS 88 CO 0.02 -1.85 0.00 -2.13 -0.65 0.00 0.00 174.74 170.13 1ujv n ARG 89 N 8.43 0.00 0.00 2.88 0.63 -1.26 -4.37 116.66 122.98 1ujv n ARG 89 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1ujv n ARG 89 Cb 0.48 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.39 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 -0.23 -0.69 3.68 5.14 0.00 -1.26 -4.62 105.19 107.21 1ujv n GLY 90 Ca 0.00 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1ujv n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujv s SER 91 N -4.00 6.68 -0.04 1.61 1.04 -1.26 -4.90 113.70 112.83 1ujv s SER 91 Ca 0.00 2.33 -0.31 0.00 0.48 0.00 0.00 55.95 58.45 1ujv s SER 91 Cb 0.00 -2.56 0.13 0.00 0.10 0.00 0.00 66.02 63.69 1ujv s SER 91 CO 0.00 -0.85 1.33 -0.83 0.98 0.00 0.00 173.24 173.87 1ujv s GLY 92 N 2.44 -0.43 0.25 7.32 0.00 -1.26 -5.15 107.32 110.49 1ujv s GLY 92 Ca 0.71 0.80 -0.30 0.00 0.00 0.00 0.00 44.72 45.93 1ujv s GLY 92 CO 0.30 0.15 1.33 2.56 0.00 0.00 0.00 173.10 177.44 1ujv s PRO 93 N -2.32 4.36 0.50 2.90 0.04 -1.26 -5.01 135.00 134.22 1ujv s PRO 93 Ca 0.14 2.15 -0.23 0.00 0.04 0.00 0.00 61.00 63.10 1ujv s PRO 93 Cb 0.05 -3.14 -0.06 0.00 0.04 0.00 0.00 34.50 31.39 1ujv s PRO 93 CO -0.05 -0.25 1.33 -1.12 0.04 0.00 0.00 177.00 176.95 1ujv s SER 94 N 0.06 5.64 -0.48 6.66 0.01 -1.26 -3.26 113.70 121.06 1ujv s SER 94 Ca 0.55 2.70 -0.28 0.00 1.31 0.00 0.00 55.95 60.22 1ujv s SER 94 Cb -0.39 -2.63 0.04 0.00 0.21 0.00 0.00 66.02 63.25 1ujv s SER 94 CO 0.44 -1.31 0.64 -1.20 0.41 0.00 0.00 173.24 172.22 1ujv n SER 95 N -0.66 -6.25 0.00 2.44 7.64 -1.26 -5.34 113.62 110.18 1ujv n SER 95 Ca 0.08 -0.02 0.10 0.00 1.01 0.00 0.00 58.87 60.04 1ujv n SER 95 Cb 0.45 -2.87 0.59 0.00 -1.01 0.00 0.00 64.21 61.36 1ujv n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64