#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 0.22 -0.45 1.61 0.15 -1.26 -4.99 113.70 108.98 1ujv s SER 2 Ca 0.00 -1.18 0.00 0.00 0.70 0.00 0.00 55.95 55.47 1ujv s SER 2 Cb 0.00 0.78 0.00 0.00 -1.71 0.00 0.00 66.02 65.09 1ujv s SER 2 CO 0.00 -1.53 0.00 -0.24 1.20 0.00 0.00 173.24 172.67 1ujv n SER 3 N -1.29 -5.87 -4.50 5.45 2.88 -1.26 -4.91 113.62 104.13 1ujv n SER 3 Ca -0.05 0.10 -0.44 0.00 -1.33 0.00 0.00 58.87 57.16 1ujv n SER 3 Cb 0.60 -3.75 -0.00 0.00 -0.75 0.00 0.00 64.21 60.31 1ujv n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ujv s GLY 4 N -2.16 2.11 -0.34 0.46 0.00 -1.26 -4.64 107.32 101.49 1ujv s GLY 4 Ca 0.00 -3.14 -0.07 0.00 0.00 0.00 0.00 44.72 41.51 1ujv s GLY 4 CO 0.00 2.25 1.06 -0.56 0.00 0.00 0.00 173.10 175.85 1ujv s SER 5 N 3.37 -0.36 1.06 1.64 0.01 -1.26 -5.17 113.70 112.99 1ujv s SER 5 Ca 0.45 -0.34 -0.17 0.00 1.31 0.00 0.00 55.95 57.19 1ujv s SER 5 Cb -0.01 0.47 0.24 0.00 0.21 0.00 0.00 66.02 66.92 1ujv s SER 5 CO 0.01 -0.02 1.25 -0.44 0.41 0.00 0.00 173.24 174.44 1ujv s SER 6 N 1.33 2.20 1.01 2.44 0.01 -1.26 -5.05 113.70 114.38 1ujv s SER 6 Ca 0.21 0.38 -0.12 0.00 1.31 0.00 0.00 55.95 57.73 1ujv s SER 6 Cb 0.09 -0.48 0.19 0.00 0.21 0.00 0.00 66.02 66.03 1ujv s SER 6 CO -0.12 -3.31 1.08 -0.83 0.41 0.00 0.00 173.24 170.47 1ujv s GLY 7 N -4.53 1.58 0.16 3.44 0.00 -1.26 -5.09 107.32 101.62 1ujv s GLY 7 Ca 0.73 -0.20 -0.01 0.00 0.00 0.00 0.00 44.72 45.25 1ujv s GLY 7 CO 0.54 0.40 0.07 -0.86 0.00 0.00 0.00 173.10 173.25 1ujv s GLN 8 N -4.84 1.03 -0.41 2.90 -2.07 -1.26 -5.10 119.66 109.91 1ujv s GLN 8 Ca 0.66 -1.50 0.08 0.00 -1.82 0.00 0.00 55.36 52.77 1ujv s GLN 8 Cb -0.20 0.17 0.27 0.00 -1.09 0.00 0.00 33.01 32.16 1ujv s GLN 8 CO 0.59 -0.27 0.68 0.00 -1.32 0.00 0.00 175.29 174.96 1ujv n ALA 9 N -0.16 1.29 -2.96 2.60 0.00 -1.26 -5.06 120.51 114.95 1ujv n ALA 9 Ca -0.04 -2.83 -0.44 0.00 0.00 0.00 0.00 53.44 50.13 1ujv n ALA 9 Cb 0.64 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 19.08 1ujv n ALA 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1ujv s GLU 10 N -0.89 3.09 0.00 0.00 -6.30 -1.26 -5.04 118.70 108.29 1ujv s GLU 10 Ca 0.34 -1.06 0.00 0.00 -2.50 0.00 0.00 54.97 51.75 1ujv s GLU 10 Cb 0.22 -4.23 0.00 0.00 0.00 0.00 0.00 34.13 30.13 1ujv s GLU 10 CO -0.13 -1.60 0.00 1.28 0.02 0.00 0.00 175.26 174.83 1ujv n LEU 11 N 6.83 0.00 -4.10 2.70 4.32 -1.26 -4.27 117.00 121.23 1ujv n LEU 11 Ca -0.07 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.68 1ujv n LEU 11 Cb 0.44 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.08 1ujv n LEU 11 CO 0.60 -0.17 -0.48 -0.04 -1.22 0.00 0.00 177.39 176.08 1ujv s MET 12 N 0.00 1.46 -0.25 3.23 -1.94 -0.97 -4.73 119.30 116.11 1ujv s MET 12 Ca 0.00 -0.52 -0.02 0.00 -1.71 0.00 0.00 55.69 53.44 1ujv s MET 12 Cb 0.00 -1.32 0.08 0.00 2.01 0.00 0.00 34.83 35.60 1ujv s MET 12 CO 0.00 0.23 0.07 0.99 -0.01 0.00 0.00 175.02 176.30 1ujv s THR 13 N 0.00 0.52 0.39 2.05 2.01 -1.26 -0.98 115.64 118.37 1ujv s THR 13 Ca -0.02 -0.86 0.08 0.00 0.31 0.00 0.00 61.69 61.20 1ujv s THR 13 Cb -0.10 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 1ujv s THR 13 CO 0.01 -0.46 0.19 -0.76 -0.69 0.00 0.00 174.62 172.92 1ujv s LEU 14 N 1.83 3.19 0.04 4.42 2.01 -0.87 -4.99 118.68 124.31 1ujv s LEU 14 Ca 0.04 -0.95 0.06 0.00 0.01 0.00 0.00 54.13 53.30 1ujv s LEU 14 Cb -0.17 -1.60 -0.02 0.00 0.01 0.00 0.00 46.19 44.41 1ujv s LEU 14 CO -0.19 -0.48 -0.17 -0.89 1.01 0.00 0.00 176.35 175.63 1ujv s THR 15 N -2.53 1.39 -0.02 5.49 2.01 -1.26 -2.02 115.64 118.69 1ujv s THR 15 Ca 0.41 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.34 1ujv s THR 15 Cb 0.01 -1.22 0.02 0.00 0.01 0.00 0.00 72.50 71.32 1ujv s THR 15 CO 0.23 0.13 -0.00 0.27 -0.69 0.00 0.00 174.62 174.56 1ujv s ILE 16 N -0.79 0.17 -0.36 1.82 -4.36 -0.60 -3.98 121.20 113.11 1ujv s ILE 16 Ca 0.05 0.05 -0.21 0.00 -0.26 0.00 0.00 60.65 60.28 1ujv s ILE 16 Cb -0.08 -0.24 0.00 0.00 1.25 0.00 0.00 42.46 43.39 1ujv s ILE 16 CO 0.01 0.12 0.66 -0.69 0.24 0.00 0.00 174.94 175.28 1ujv s VAL 17 N 0.80 4.87 0.09 8.37 1.01 -0.75 -0.51 120.40 134.27 1ujv s VAL 17 Ca -0.08 0.62 -0.31 0.00 0.00 0.00 0.00 61.98 62.21 1ujv s VAL 17 Cb -0.11 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 1ujv s VAL 17 CO -0.01 -0.33 1.61 -0.75 0.00 0.00 0.00 175.10 175.61 1ujv s LYS 18 N 2.76 4.21 0.00 2.72 2.20 -1.11 -4.71 119.74 125.81 1ujv s LYS 18 Ca 0.25 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 58.17 1ujv s LYS 18 Cb -0.14 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1ujv s LYS 18 CO 0.15 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 1ujv n GLY 19 N 3.90 -0.20 1.60 5.54 0.00 -0.63 -0.28 105.19 115.13 1ujv n GLY 19 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1ujv n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujv n ALA 20 N -1.81 0.00 -0.90 4.61 0.00 -1.26 -4.18 120.51 116.97 1ujv n ALA 20 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1ujv n ALA 20 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1ujv n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ujv n GLN 21 N -2.67 2.43 0.00 0.00 10.64 -1.26 -4.87 117.38 121.65 1ujv n GLN 21 Ca 0.00 -1.54 0.00 0.00 -1.83 0.00 0.00 57.00 53.63 1ujv n GLN 21 Cb 0.00 -2.44 0.00 0.00 -0.86 0.00 0.00 30.24 26.94 1ujv n GLN 21 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1ujv n GLY 22 N 3.51 1.00 3.87 2.61 0.00 -1.26 -4.52 105.19 110.40 1ujv n GLY 22 Ca 0.52 -0.61 -0.31 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 3.55 0.01 1.61 0.40 -1.26 -1.60 117.98 120.69 1ujv s PHE 23 Ca 0.00 1.23 -0.20 0.00 -0.60 0.00 0.00 56.93 57.35 1ujv s PHE 23 Cb 0.00 -2.64 -0.19 0.00 0.51 0.00 0.00 43.02 40.70 1ujv s PHE 23 CO 0.00 -0.47 1.19 0.78 0.70 0.00 0.00 175.22 177.43 1ujv h GLY 24 N 0.29 0.41 -2.32 4.36 0.00 -1.89 -3.46 103.07 100.46 1ujv h GLY 24 Ca -0.46 -0.58 -0.55 0.00 0.00 0.00 0.00 47.33 45.74 1ujv h GLY 24 CO 0.62 0.52 -0.42 1.97 0.00 0.00 0.00 176.54 179.23 1ujv n PHE 25 N -4.38 -0.91 -4.48 5.60 -1.74 -1.26 -4.38 117.46 105.90 1ujv n PHE 25 Ca -0.08 0.31 -0.24 0.00 -0.56 0.00 0.00 57.45 56.88 1ujv n PHE 25 Cb 0.52 -1.88 -0.10 0.00 1.52 0.00 0.00 39.48 39.54 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 -2.08 2.38 0.23 1.97 -4.23 -0.42 -4.92 115.64 108.58 1ujv s THR 26 Ca 0.63 -2.35 0.10 0.00 -1.18 0.00 0.00 61.69 58.88 1ujv s THR 26 Cb -0.30 -2.37 -0.05 0.00 1.34 0.00 0.00 72.50 71.13 1ujv s THR 26 CO 0.61 -0.36 -0.18 0.27 -0.54 0.00 0.00 174.62 174.42 1ujv s ILE 27 N -2.56 2.09 0.05 2.99 -4.36 -1.26 -0.75 121.20 117.40 1ujv s ILE 27 Ca 0.30 -2.27 0.04 0.00 -0.26 0.00 0.00 60.65 58.46 1ujv s ILE 27 Cb -0.03 -2.14 -0.03 0.00 1.25 0.00 0.00 42.46 41.51 1ujv s ILE 27 CO 0.15 -0.47 -0.11 0.00 0.24 0.00 0.00 174.94 174.75 1ujv s ALA 28 N -2.65 0.91 0.29 2.27 0.00 0.18 -4.52 121.76 118.24 1ujv s ALA 28 Ca 0.25 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 1ujv s ALA 28 Cb -0.03 -0.06 -0.09 0.00 0.00 0.00 0.00 23.12 22.94 1ujv s ALA 28 CO 0.11 0.10 1.03 0.34 0.00 0.00 0.00 175.76 177.34 1ujv s ASP 29 N -1.53 7.32 0.14 0.00 2.15 -1.26 -1.19 116.67 122.29 1ujv s ASP 29 Ca -0.04 2.12 -0.02 0.00 0.43 0.00 0.00 52.55 55.03 1ujv s ASP 29 Cb -0.09 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.88 1ujv s ASP 29 CO 0.01 -0.09 0.09 -0.94 -0.17 0.00 0.00 175.17 174.07 1ujv s SER 30 N -1.11 0.27 0.00 -0.34 1.04 -0.91 -4.88 113.70 107.78 1ujv s SER 30 Ca 0.46 -1.16 0.11 0.00 0.48 0.00 0.00 55.95 55.83 1ujv s SER 30 Cb -0.28 0.32 0.60 0.00 0.10 0.00 0.00 66.02 66.76 1ujv s SER 30 CO 0.35 -0.75 1.17 -0.81 0.98 0.00 0.00 173.24 174.18 1ujv n PRO 31 N -0.11 0.25 0.00 4.02 -0.04 -1.26 -2.12 135.00 135.74 1ujv n PRO 31 Ca -0.06 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1ujv n PRO 31 Cb 0.64 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.14 0.04 -0.70 0.52 -2.24 -1.26 -5.15 114.28 104.36 1ujv n THR 32 Ca 0.07 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1ujv n THR 32 Cb 0.06 1.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 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 -0.02 -0.76 3.80 3.38 0.00 -0.90 -4.90 105.19 105.79 1ujv n GLY 33 Ca 0.00 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.68 4.15 0.18 1.61 -1.52 -1.26 -2.14 119.66 119.01 1ujv s GLN 34 Ca 0.00 1.27 0.04 0.00 -1.95 0.00 0.00 55.36 54.72 1ujv s GLN 34 Cb 0.00 -2.30 -0.05 0.00 -0.22 0.00 0.00 33.01 30.45 1ujv s GLN 34 CO 0.00 -0.11 -0.05 1.03 -0.25 0.00 0.00 175.29 175.91 1ujv s ARG 35 N -2.94 1.18 0.06 2.91 0.52 -0.34 -1.13 118.95 119.22 1ujv s ARG 35 Ca 0.61 -1.55 -0.31 0.00 -0.52 0.00 0.00 55.73 53.96 1ujv s ARG 35 Cb -0.14 -0.59 -0.07 0.00 0.52 0.00 0.00 34.95 34.67 1ujv s ARG 35 CO 0.18 -0.01 1.39 0.08 0.02 0.00 0.00 175.30 176.96 1ujv s VAL 36 N -3.39 3.55 -0.01 3.52 1.01 -1.17 -0.65 120.40 123.26 1ujv s VAL 36 Ca 0.22 1.04 -0.01 0.00 0.00 0.00 0.00 61.98 63.24 1ujv s VAL 36 Cb 0.04 -3.67 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 1ujv s VAL 36 CO 0.04 0.04 0.18 0.50 0.00 0.00 0.00 175.10 175.86 1ujv h LYS 37 N 7.33 -0.02 -2.67 2.72 1.63 -1.17 -2.95 116.57 121.42 1ujv h LYS 37 Ca -0.40 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.29 1ujv h LYS 37 Cb 1.20 0.00 -0.23 0.00 -0.60 0.00 0.00 32.23 32.60 1ujv h LYS 37 CO 0.88 -0.01 -0.19 -1.14 -3.45 0.00 0.00 179.45 175.53 1ujv s GLN 38 N -1.43 0.55 -0.36 1.90 0.74 -1.23 -4.73 119.66 115.09 1ujv s GLN 38 Ca -0.00 0.54 -0.25 0.00 0.05 0.00 0.00 55.36 55.70 1ujv s GLN 38 Cb 0.00 0.26 0.01 0.00 1.10 0.00 0.00 33.01 34.38 1ujv s GLN 38 CO 0.01 -0.08 0.86 0.42 -0.55 0.00 0.00 175.29 175.95 1ujv s ILE 39 N 0.07 4.67 -0.81 -2.34 1.01 -1.26 -1.30 121.20 121.23 1ujv s ILE 39 Ca -0.01 1.08 0.16 0.00 0.00 0.00 0.00 60.65 61.89 1ujv s ILE 39 Cb -0.03 -4.26 -0.17 0.00 0.01 0.00 0.00 42.46 38.00 1ujv s ILE 39 CO 0.01 -0.46 0.71 0.18 0.00 0.00 0.00 174.94 175.38 1ujv n LEU 40 N 6.57 0.82 -3.39 2.97 4.77 -1.26 -4.79 117.00 122.68 1ujv n LEU 40 Ca 0.05 -0.51 -0.27 0.00 -0.03 0.00 0.00 56.01 55.25 1ujv n LEU 40 Cb 0.48 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1ujv n LEU 40 CO 0.55 0.20 -0.32 -0.62 -1.33 0.00 0.00 177.39 175.88 1ujv s ASP 41 N -2.55 1.56 0.08 -1.43 2.15 -1.26 -4.85 116.67 110.37 1ujv s ASP 41 Ca 0.07 -2.94 -0.18 0.00 0.43 0.00 0.00 52.55 49.93 1ujv s ASP 41 Cb 0.13 -0.40 -0.09 0.00 -0.30 0.00 0.00 42.92 42.26 1ujv s ASP 41 CO 0.67 -0.19 1.47 0.40 -0.17 0.00 0.00 175.17 177.36 1ujv h ILE 42 N 4.68 1.28 0.01 4.11 2.04 -1.87 -1.81 117.51 125.95 1ujv h ILE 42 Ca 0.24 -1.09 -0.22 0.00 1.00 0.00 0.00 64.86 64.80 1ujv h ILE 42 Cb 0.92 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 1ujv h ILE 42 CO 0.35 0.34 -0.93 1.56 0.00 0.00 0.00 178.15 179.47 1ujv h GLN 43 N 0.24 0.31 -0.00 2.37 4.20 -2.00 -3.13 115.11 117.10 1ujv h GLN 43 Ca 0.06 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1ujv h GLN 43 Cb 0.54 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1ujv h GLN 43 CO 0.03 1.05 -0.02 0.41 -0.67 0.00 0.00 178.83 179.62 1ujv n GLY 44 N 0.95 -1.43 2.44 3.46 0.00 -1.22 -3.89 105.19 105.50 1ujv n GLY 44 Ca -0.05 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 1ujv n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujv n PRO 46 N 0.74 -0.24 0.00 0.00 -0.02 -1.23 -3.69 135.00 130.55 1ujv n PRO 46 Ca 0.28 -0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1ujv n PRO 46 Cb 0.45 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1ujv n PRO 46 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ujv n GLY 47 N 0.58 1.36 3.74 -1.23 0.00 -1.26 -4.51 105.19 103.86 1ujv n GLY 47 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 4.37 -0.01 0.99 2.96 -1.24 -4.94 118.68 120.81 1ujv s LEU 48 Ca 0.00 2.74 0.01 0.00 -0.22 0.00 0.00 54.13 56.67 1ujv s LEU 48 Cb 0.00 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 43.09 1ujv s LEU 48 CO 0.00 -0.80 0.89 0.00 -1.32 0.00 0.00 176.35 175.11 1ujv n GLU 50 N -0.43 -3.07 -0.93 0.00 2.13 -1.26 -4.84 120.64 112.25 1ujv n GLU 50 Ca 0.01 2.39 0.00 0.00 0.66 0.00 0.00 57.16 60.22 1ujv n GLU 50 Cb 0.35 -3.03 0.00 0.00 0.27 0.00 0.00 31.44 29.03 1ujv n GLU 50 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ujv n GLY 51 N -2.48 0.15 3.62 8.31 0.00 -1.12 -4.92 105.19 108.75 1ujv n GLY 51 Ca -0.01 0.00 -0.43 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 -2.05 5.82 -0.48 1.61 1.11 -1.26 -4.50 116.67 116.92 1ujv s ASP 52 Ca 0.00 2.03 -0.28 0.00 0.18 0.00 0.00 52.55 54.48 1ujv s ASP 52 Cb 0.00 -2.52 -0.00 0.00 1.07 0.00 0.00 42.92 41.47 1ujv s ASP 52 CO 0.00 -1.65 1.61 -0.22 1.18 0.00 0.00 175.17 176.09 1ujv s LEU 53 N 6.96 3.44 0.37 1.23 1.98 -1.26 -3.06 118.68 128.35 1ujv s LEU 53 Ca 0.94 0.68 -0.27 0.00 -2.89 0.00 0.00 54.13 52.59 1ujv s LEU 53 Cb -0.34 -3.17 -0.09 0.00 0.66 0.00 0.00 46.19 43.25 1ujv s LEU 53 CO 0.36 -1.79 1.24 -0.63 -1.89 0.00 0.00 176.35 173.64 1ujv s ILE 54 N 6.79 2.91 0.11 6.68 1.01 -0.28 -0.15 121.20 138.27 1ujv s ILE 54 Ca 0.65 0.83 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1ujv s ILE 54 Cb -0.15 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.83 1ujv s ILE 54 CO 0.28 0.13 0.00 0.52 0.00 0.00 0.00 174.94 175.87 1ujv n VAL 55 N 0.36 0.41 -4.23 2.92 0.31 -0.05 -4.55 118.33 113.50 1ujv n VAL 55 Ca 0.03 0.14 -0.17 0.00 -0.01 0.00 0.00 64.34 64.32 1ujv n VAL 55 Cb 0.44 -1.11 -0.11 0.00 -0.91 0.00 0.00 33.84 32.16 1ujv n VAL 55 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1ujv s GLU 56 N -2.00 0.99 -0.03 5.55 2.02 -1.04 -0.93 118.70 123.26 1ujv s GLU 56 Ca 0.00 -1.24 0.02 0.00 0.02 0.00 0.00 54.97 53.77 1ujv s GLU 56 Cb 0.00 -0.81 0.01 0.00 0.10 0.00 0.00 34.13 33.43 1ujv s GLU 56 CO 0.00 0.15 -0.06 0.42 0.02 0.00 0.00 175.26 175.78 1ujv s ILE 57 N -2.29 0.63 -1.70 -1.63 1.01 -0.49 -1.27 121.20 115.46 1ujv s ILE 57 Ca 0.09 -0.23 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 1ujv s ILE 57 Cb -0.04 -0.60 0.13 0.00 0.01 0.00 0.00 42.46 41.95 1ujv s ILE 57 CO 0.02 0.22 0.42 0.59 0.00 0.00 0.00 174.94 176.20 1ujv n ASN 58 N 3.65 -1.05 -3.60 3.58 3.02 0.40 -0.36 115.26 120.90 1ujv n ASN 58 Ca -0.22 -1.19 -0.23 0.00 -0.03 0.00 0.00 54.58 52.91 1ujv n ASN 58 Cb 0.53 -1.95 0.07 0.00 -0.61 0.00 0.00 39.78 37.82 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 -4.32 -7.34 -4.66 3.52 6.02 -1.26 -5.04 117.38 104.30 1ujv n GLN 59 Ca -0.07 0.80 -0.24 0.00 -0.01 0.00 0.00 57.00 57.48 1ujv n GLN 59 Cb 0.56 -5.82 -0.16 0.00 1.02 0.00 0.00 30.24 25.85 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 -6.14 1.39 -0.21 -1.09 0.74 0.52 -5.13 119.66 109.74 1ujv s GLN 60 Ca 0.45 -0.49 -0.29 0.00 0.05 0.00 0.00 55.36 55.08 1ujv s GLN 60 Cb -0.20 -1.26 0.00 0.00 1.10 0.00 0.00 33.01 32.65 1ujv s GLN 60 CO 0.74 0.22 1.08 1.21 -0.55 0.00 0.00 175.29 177.99 1ujv s ASN 61 N 0.00 7.09 -0.11 6.67 3.04 -1.26 -1.40 114.94 128.98 1ujv s ASN 61 Ca -0.01 1.45 0.14 0.00 0.04 0.00 0.00 52.86 54.48 1ujv s ASN 61 Cb -0.09 -2.54 0.32 0.00 -1.54 0.00 0.00 41.25 37.40 1ujv s ASN 61 CO 0.01 -0.66 1.23 1.33 -3.04 0.00 0.00 177.10 175.96 1ujv n VAL 62 N 5.25 1.75 -0.26 -5.21 0.24 -0.10 -4.70 118.33 115.28 1ujv n VAL 62 Ca 0.12 -1.76 -0.05 0.00 -2.04 0.00 0.00 64.34 60.61 1ujv n VAL 62 Cb 0.46 -0.02 0.06 0.00 -1.47 0.00 0.00 33.84 32.87 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 0.85 0.98 0.00 7.34 4.20 -1.74 -2.42 115.11 124.33 1ujv h GLN 63 Ca 0.00 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 1ujv h GLN 63 Cb 1.02 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1ujv h GLN 63 CO 0.07 0.69 -0.41 -0.91 -0.67 0.00 0.00 178.83 177.60 1ujv h ASN 64 N 0.99 0.00 -3.78 1.46 4.21 -1.90 -3.43 115.58 113.13 1ujv h ASN 64 Ca 0.26 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 57.24 1ujv h ASN 64 Cb -0.05 0.00 0.10 0.00 -1.12 0.00 0.00 38.32 37.25 1ujv h ASN 64 CO -0.05 0.41 0.82 -0.76 -1.29 0.00 0.00 177.43 176.56 1ujv s LEU 65 N -6.81 4.32 1.01 1.61 1.02 -0.91 -5.00 118.68 113.91 1ujv s LEU 65 Ca 0.01 3.05 -0.12 0.00 0.02 0.00 0.00 54.13 57.10 1ujv s LEU 65 Cb 0.10 -3.66 0.20 0.00 0.02 0.00 0.00 46.19 42.84 1ujv s LEU 65 CO 0.70 -0.90 1.08 -0.44 0.02 0.00 0.00 176.35 176.81 1ujv s SER 66 N 0.05 2.28 0.15 2.29 0.01 -1.26 -4.66 113.70 112.55 1ujv s SER 66 Ca 0.56 1.70 -0.23 0.00 1.31 0.00 0.00 55.95 59.29 1ujv s SER 66 Cb -0.47 -2.34 0.02 0.00 0.21 0.00 0.00 66.02 63.44 1ujv s SER 66 CO 0.60 -3.42 1.62 -0.74 0.41 0.00 0.00 173.24 171.71 1ujv h HIS 67 N -2.09 -0.70 -0.37 2.43 2.76 -1.98 -2.37 115.15 112.84 1ujv h HIS 67 Ca -0.53 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 57.65 1ujv h HIS 67 Cb 1.30 0.34 -0.02 0.00 1.55 0.00 0.00 27.41 30.58 1ujv h HIS 67 CO 0.38 -0.34 0.10 1.15 -1.30 0.00 0.00 177.93 177.93 1ujv h THR 68 N -0.28 1.17 -0.24 6.26 2.02 -1.98 -0.77 112.91 119.08 1ujv h THR 68 Ca 0.13 -0.57 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1ujv h THR 68 Cb 0.48 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 1ujv h THR 68 CO -0.38 0.21 0.10 -0.33 0.37 0.00 0.00 175.52 175.50 1ujv h GLU 69 N 0.53 0.36 -0.46 6.66 4.39 -1.79 0.13 114.58 124.39 1ujv h GLU 69 Ca 0.13 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 1ujv h GLU 69 Cb 0.18 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1ujv h GLU 69 CO -0.01 0.39 0.21 0.28 -1.16 0.00 0.00 179.01 178.72 1ujv h VAL 70 N 0.25 1.19 -0.71 3.13 2.07 -1.09 -2.02 116.25 119.08 1ujv h VAL 70 Ca 0.08 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1ujv h VAL 70 Cb 0.16 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1ujv h VAL 70 CO -0.01 0.22 0.46 0.58 0.02 0.00 0.00 177.57 178.83 1ujv h VAL 71 N 0.60 1.14 -0.30 2.57 2.07 -0.78 -2.28 116.25 119.28 1ujv h VAL 71 Ca 0.16 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1ujv h VAL 71 Cb 0.15 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 1ujv h VAL 71 CO -0.02 0.17 -0.06 -0.78 0.02 0.00 0.00 177.57 176.90 1ujv h ASP 72 N 0.91 0.57 -0.05 0.57 1.82 -0.42 -0.02 116.42 119.80 1ujv h ASP 72 Ca 0.27 -0.36 0.03 0.00 -0.39 0.00 0.00 57.03 56.58 1ujv h ASP 72 Cb -0.04 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 39.78 1ujv h ASP 72 CO -0.08 0.79 -0.11 0.40 -1.61 0.00 0.00 179.24 178.63 1ujv h ILE 73 N 0.33 0.70 0.00 2.25 2.04 -1.33 -1.00 117.51 120.51 1ujv h ILE 73 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1ujv h ILE 73 Cb 0.54 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1ujv h ILE 73 CO 0.03 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.36 1ujv n LEU 74 N -5.25 0.50 0.06 1.44 4.77 -0.86 -1.30 117.00 116.35 1ujv n LEU 74 Ca -0.05 0.64 -0.13 0.00 -0.03 0.00 0.00 56.01 56.44 1ujv n LEU 74 Cb 0.17 -0.59 -0.14 0.00 -2.33 0.00 0.00 43.42 40.53 1ujv n LEU 74 CO 0.26 -0.55 -0.21 0.11 -1.33 0.00 0.00 177.39 175.67 1ujv h LYS 75 N 0.00 0.17 -0.14 3.23 1.57 -0.02 -3.35 116.57 118.03 1ujv h LYS 75 Ca 0.00 -0.28 -0.17 0.00 -1.87 0.00 0.00 60.65 58.32 1ujv h LYS 75 Cb 0.28 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1ujv h LYS 75 CO 0.00 1.03 -0.64 0.22 -0.57 0.00 0.00 179.45 179.49 1ujv h ASP 76 N 0.05 0.59 -2.04 0.86 1.82 0.05 -3.46 116.42 114.29 1ujv h ASP 76 Ca -0.18 -0.35 -0.63 0.00 -0.39 0.00 0.00 57.03 55.48 1ujv h ASP 76 Cb 1.95 -0.17 0.10 0.00 0.68 0.00 0.00 39.33 41.89 1ujv h ASP 76 CO 0.15 1.08 0.09 0.00 -1.61 0.00 0.00 179.24 178.95 1ujv s PRO 78 N -0.99 4.24 0.23 0.00 0.04 -1.26 -4.97 135.00 132.29 1ujv s PRO 78 Ca 0.66 2.22 -0.30 0.00 0.04 0.00 0.00 61.00 63.61 1ujv s PRO 78 Cb -0.80 -3.41 -0.10 0.00 0.04 0.00 0.00 34.50 30.23 1ujv s PRO 78 CO 0.56 -0.61 1.39 0.42 0.04 0.00 0.00 177.00 178.81 1ujv s ILE 79 N 1.90 2.86 -0.03 0.56 1.01 -1.26 -2.95 121.20 123.30 1ujv s ILE 79 Ca 0.69 0.71 0.00 0.00 0.00 0.00 0.00 60.65 62.06 1ujv s ILE 79 Cb -0.39 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.63 1ujv s ILE 79 CO 0.31 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1ujv n GLY 80 N 2.29 0.45 3.62 6.18 0.00 0.62 -5.00 105.19 113.35 1ujv n GLY 80 Ca 0.07 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.09 4.41 0.62 1.61 0.01 -1.15 -4.95 113.70 112.16 1ujv s SER 81 Ca 0.00 -0.67 -0.18 0.00 1.31 0.00 0.00 55.95 56.41 1ujv s SER 81 Cb 0.00 -0.77 -0.02 0.00 0.21 0.00 0.00 66.02 65.43 1ujv s SER 81 CO 0.00 0.02 1.24 -1.61 0.41 0.00 0.00 173.24 173.30 1ujv s GLU 82 N -3.50 2.76 0.04 12.44 0.41 -1.26 -2.76 118.70 126.82 1ujv s GLU 82 Ca 0.30 1.91 0.04 0.00 -0.41 0.00 0.00 54.97 56.81 1ujv s GLU 82 Cb -0.07 -1.89 -0.02 0.00 -1.78 0.00 0.00 34.13 30.37 1ujv s GLU 82 CO 0.19 -1.40 -0.12 0.99 -0.49 0.00 0.00 175.26 174.42 1ujv s THR 83 N -1.55 0.97 -0.24 3.63 2.01 0.33 -4.88 115.64 115.92 1ujv s THR 83 Ca 0.79 -0.97 -0.08 0.00 0.31 0.00 0.00 61.69 61.74 1ujv s THR 83 Cb -0.33 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 1ujv s THR 83 CO 0.36 -0.06 0.10 -0.44 -0.69 0.00 0.00 174.62 173.89 1ujv s SER 84 N -1.17 5.50 0.20 3.53 0.01 -1.26 -1.55 113.70 118.96 1ujv s SER 84 Ca -0.00 -0.08 0.09 0.00 1.31 0.00 0.00 55.95 57.27 1ujv s SER 84 Cb -0.08 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.12 1ujv s SER 84 CO 0.01 0.02 -0.18 -0.76 0.41 0.00 0.00 173.24 172.73 1ujv s LEU 85 N 1.31 2.50 -0.01 2.44 1.02 -0.86 -0.45 118.68 124.64 1ujv s LEU 85 Ca 0.06 -0.94 0.04 0.00 0.02 0.00 0.00 54.13 53.31 1ujv s LEU 85 Cb -0.15 -0.89 -0.01 0.00 0.02 0.00 0.00 46.19 45.16 1ujv s LEU 85 CO 0.05 -0.03 -0.14 -0.63 0.02 0.00 0.00 176.35 175.62 1ujv s ILE 86 N -2.33 1.07 0.08 -0.59 1.01 -0.40 -2.05 121.20 118.00 1ujv s ILE 86 Ca 0.21 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.27 1ujv s ILE 86 Cb -0.05 -0.90 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 1ujv s ILE 86 CO 0.09 0.27 -0.07 0.27 0.00 0.00 0.00 174.94 175.50 1ujv s ILE 87 N -0.37 0.67 -1.05 2.92 -5.25 -0.15 -0.87 121.20 117.10 1ujv s ILE 87 Ca 0.05 -1.61 -0.15 0.00 -0.99 0.00 0.00 60.65 57.95 1ujv s ILE 87 Cb -0.05 -1.28 0.17 0.00 2.95 0.00 0.00 42.46 44.25 1ujv s ILE 87 CO -0.00 -0.67 1.21 -2.28 -1.79 0.00 0.00 174.94 171.40 1ujv s HIS 88 N -2.73 3.48 0.07 1.37 2.46 0.79 -2.29 115.29 118.44 1ujv s HIS 88 Ca 0.04 -1.91 0.02 0.00 0.47 0.00 0.00 55.06 53.68 1ujv s HIS 88 Cb -0.01 -4.19 -0.03 0.00 -0.13 0.00 0.00 32.58 28.22 1ujv s HIS 88 CO -0.02 -1.33 -0.08 1.03 -2.47 0.00 0.00 174.74 171.87 1ujv s ARG 89 N 1.50 0.69 0.00 2.88 0.52 -1.26 -4.64 118.95 118.64 1ujv s ARG 89 Ca 0.35 -1.04 0.00 0.00 -0.52 0.00 0.00 55.73 54.52 1ujv s ARG 89 Cb -0.05 -0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.13 1ujv s ARG 89 CO -0.05 0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.70 1ujv n GLY 90 N 0.76 0.81 3.19 -3.53 0.00 -1.26 -3.14 105.19 102.02 1ujv n GLY 90 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 0.73 -0.00 0.00 1.61 0.15 -1.26 -4.95 113.70 109.97 1ujv s SER 91 Ca 0.00 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1ujv s SER 91 Cb 0.00 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.61 1ujv s SER 91 CO 0.00 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.50 1ujv n GLY 92 N 0.75 0.62 3.55 9.45 0.00 -1.26 -5.09 105.19 113.22 1ujv n GLY 92 Ca -0.19 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.64 1ujv n GLY 92 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujv s PRO 93 N -2.00 2.80 0.16 1.61 0.04 -1.26 -4.93 135.00 131.42 1ujv s PRO 93 Ca 0.00 0.20 0.07 0.00 0.04 0.00 0.00 61.00 61.31 1ujv s PRO 93 Cb 0.00 -4.48 -0.04 0.00 0.04 0.00 0.00 34.50 30.02 1ujv s PRO 93 CO 0.00 -2.66 -0.15 -1.12 0.04 0.00 0.00 177.00 173.11 1ujv s SER 94 N 6.92 2.35 -0.03 6.66 0.01 -1.26 -5.02 113.70 123.33 1ujv s SER 94 Ca 0.59 -0.90 -0.03 0.00 1.31 0.00 0.00 55.95 56.93 1ujv s SER 94 Cb -0.10 -0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.03 1ujv s SER 94 CO 0.15 -0.13 0.05 -0.24 0.41 0.00 0.00 173.24 173.48 1ujv n SER 95 N 0.16 -3.21 0.00 2.44 2.88 -1.26 -5.27 113.62 109.36 1ujv n SER 95 Ca -0.12 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.08 1ujv n SER 95 Cb 0.58 -2.76 0.00 0.00 -0.75 0.00 0.00 64.21 61.28 1ujv n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42