#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 6.57 0.28 1.61 0.15 -1.26 -5.04 113.70 116.01 1ujv s SER 2 Ca 0.00 2.64 -0.20 0.00 0.70 0.00 0.00 55.95 59.10 1ujv s SER 2 Cb 0.00 -2.64 0.02 0.00 -1.71 0.00 0.00 66.02 61.69 1ujv s SER 2 CO 0.00 -0.67 0.70 -0.94 1.20 0.00 0.00 173.24 173.53 1ujv s SER 3 N -0.64 -0.23 0.00 5.45 1.04 -1.26 -5.14 113.70 112.92 1ujv s SER 3 Ca 0.53 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1ujv s SER 3 Cb -0.38 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1ujv s SER 3 CO 0.50 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.98 1ujv n GLY 4 N -0.46 -2.74 3.45 7.32 0.00 -1.26 -5.14 105.19 106.36 1ujv n GLY 4 Ca -0.04 -0.87 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 1ujv n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujv s SER 5 N -0.06 -0.30 0.42 1.61 0.15 -1.26 -5.13 113.70 109.13 1ujv s SER 5 Ca 0.00 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1ujv s SER 5 Cb 0.00 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1ujv s SER 5 CO 0.00 -0.98 0.00 -1.20 1.20 0.00 0.00 173.24 172.26 1ujv n SER 6 N -0.31 -8.71 -0.10 5.45 7.64 -1.26 -4.81 113.62 111.52 1ujv n SER 6 Ca -0.13 0.82 -0.16 0.00 1.01 0.00 0.00 58.87 60.41 1ujv n SER 6 Cb 0.63 -4.58 -0.13 0.00 -1.01 0.00 0.00 64.21 59.12 1ujv n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujv n GLY 7 N -4.29 -0.57 3.47 0.23 0.00 -1.26 -4.95 105.19 97.82 1ujv n GLY 7 Ca -0.02 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 1ujv n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ujv s GLN 8 N -2.52 1.66 0.17 1.61 -0.21 -1.26 -5.16 119.66 113.94 1ujv s GLN 8 Ca -0.26 -1.84 -0.01 0.00 0.02 0.00 0.00 55.36 53.27 1ujv s GLN 8 Cb 0.08 -1.38 0.00 0.00 1.00 0.00 0.00 33.01 32.71 1ujv s GLN 8 CO 0.69 0.09 0.24 0.00 -2.12 0.00 0.00 175.29 174.19 1ujv n ALA 9 N -0.66 -0.17 -2.32 6.09 0.00 -1.26 -5.07 120.51 117.11 1ujv n ALA 9 Ca -0.05 -0.80 -0.03 0.00 0.00 0.00 0.00 53.44 52.55 1ujv n ALA 9 Cb 0.63 0.65 -0.03 0.00 0.00 0.00 0.00 19.45 20.70 1ujv n ALA 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1ujv n GLU 10 N -0.29 -3.23 -3.21 0.00 2.13 -1.26 -4.70 120.64 110.08 1ujv n GLU 10 Ca 0.00 2.59 -0.19 0.00 0.66 0.00 0.00 57.16 60.22 1ujv n GLU 10 Cb 0.29 -4.06 0.01 0.00 0.27 0.00 0.00 31.44 27.95 1ujv n GLU 10 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1ujv s LEU 11 N -0.65 3.38 -0.08 4.31 1.43 -1.26 -3.40 118.68 122.42 1ujv s LEU 11 Ca -0.17 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.29 1ujv s LEU 11 Cb 0.01 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 44.10 1ujv s LEU 11 CO 0.59 -0.92 -0.16 -0.32 0.23 0.00 0.00 176.35 175.77 1ujv s MET 12 N -4.38 2.19 -0.08 1.70 1.75 -0.41 -4.78 119.30 115.29 1ujv s MET 12 Ca 0.54 -0.58 -0.13 0.00 -1.25 0.00 0.00 55.69 54.26 1ujv s MET 12 Cb -0.07 -1.73 -0.05 0.00 2.84 0.00 0.00 34.83 35.82 1ujv s MET 12 CO 0.33 0.08 0.33 0.99 -0.65 0.00 0.00 175.02 176.09 1ujv s THR 13 N 0.56 5.22 0.20 10.11 2.01 -1.26 -0.54 115.64 131.93 1ujv s THR 13 Ca -0.16 0.64 -0.06 0.00 0.31 0.00 0.00 61.69 62.42 1ujv s THR 13 Cb -0.17 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1ujv s THR 13 CO 0.05 0.51 0.24 -0.76 -0.69 0.00 0.00 174.62 173.98 1ujv s LEU 14 N -0.47 0.98 -0.03 4.42 1.43 -0.08 -4.98 118.68 119.95 1ujv s LEU 14 Ca 0.20 -1.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.17 1ujv s LEU 14 Cb -0.15 0.89 0.02 0.00 0.03 0.00 0.00 46.19 46.99 1ujv s LEU 14 CO 0.08 -0.91 -0.03 -0.89 0.23 0.00 0.00 176.35 174.83 1ujv s THR 15 N -4.07 0.41 0.36 5.49 2.01 -1.26 -1.21 115.64 117.36 1ujv s THR 15 Ca 0.28 -0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.30 1ujv s THR 15 Cb 0.04 -0.44 -0.07 0.00 0.01 0.00 0.00 72.50 72.04 1ujv s THR 15 CO 0.08 0.18 -0.06 0.27 -0.69 0.00 0.00 174.62 174.40 1ujv s ILE 16 N 0.80 2.10 -0.05 1.82 -4.36 -0.64 -4.18 121.20 116.69 1ujv s ILE 16 Ca -0.10 -2.14 0.03 0.00 -0.26 0.00 0.00 60.65 58.18 1ujv s ILE 16 Cb -0.13 -2.73 0.01 0.00 1.25 0.00 0.00 42.46 40.86 1ujv s ILE 16 CO -0.00 -0.15 -0.13 -0.69 0.24 0.00 0.00 174.94 174.21 1ujv s VAL 17 N -2.69 1.14 -0.54 8.37 1.01 0.53 -0.19 120.40 128.04 1ujv s VAL 17 Ca 0.33 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.54 1ujv s VAL 17 Cb 0.05 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.45 1ujv s VAL 17 CO 0.16 0.35 0.94 -0.75 0.00 0.00 0.00 175.10 175.80 1ujv s LYS 18 N 0.37 3.36 1.25 2.72 2.20 -1.17 -4.54 119.74 123.94 1ujv s LYS 18 Ca -0.09 -0.19 -0.15 0.00 -0.36 0.00 0.00 55.97 55.18 1ujv s LYS 18 Cb -0.13 -4.03 0.32 0.00 -1.51 0.00 0.00 37.83 32.48 1ujv s LYS 18 CO 0.03 -1.44 0.99 0.20 -0.36 0.00 0.00 175.35 174.77 1ujv s GLY 19 N 2.74 1.50 0.09 5.54 0.00 -1.08 -0.51 107.32 115.60 1ujv s GLY 19 Ca 0.31 -0.28 -0.27 0.00 0.00 0.00 0.00 44.72 44.48 1ujv s GLY 19 CO 0.20 0.53 1.69 0.00 0.00 0.00 0.00 173.10 175.52 1ujv h ALA 20 N -2.93 -0.36 -0.01 3.20 0.00 -1.98 -1.62 119.26 115.56 1ujv h ALA 20 Ca -0.60 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 1ujv h ALA 20 Cb 1.34 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.29 1ujv h ALA 20 CO 0.46 -0.71 0.01 1.04 0.00 0.00 0.00 179.25 180.05 1ujv n GLN 21 N -5.26 1.02 -0.05 0.00 6.02 -1.26 -4.95 117.38 112.90 1ujv n GLN 21 Ca -0.09 -0.05 0.01 0.00 -0.01 0.00 0.00 57.00 56.86 1ujv n GLN 21 Cb 0.18 -1.04 -0.00 0.00 1.02 0.00 0.00 30.24 30.40 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 0.45 -1.90 0.00 1.08 0.00 -0.61 -4.38 105.19 99.84 1ujv n GLY 22 Ca 0.01 -1.35 0.06 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.63 0.00 0.00 1.61 3.01 -1.26 -2.63 117.46 117.57 1ujv n PHE 23 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1ujv n PHE 23 Cb 0.02 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 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 -0.30 1.32 3.56 1.37 0.00 -1.26 -4.18 105.19 105.70 1ujv n GLY 24 Ca 0.08 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 0.18 -4.43 1.61 -1.74 -1.26 -4.43 117.46 107.38 1ujv n PHE 25 Ca 0.00 0.39 -0.24 0.00 -0.56 0.00 0.00 57.45 57.04 1ujv n PHE 25 Cb 0.00 -2.04 -0.10 0.00 1.52 0.00 0.00 39.48 38.87 1ujv n PHE 25 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 1ujv s THR 26 N -1.77 2.62 0.33 1.97 -4.23 -0.15 -4.95 115.64 109.47 1ujv s THR 26 Ca 0.71 -2.27 0.07 0.00 -1.18 0.00 0.00 61.69 59.02 1ujv s THR 26 Cb -0.37 -2.37 -0.06 0.00 1.34 0.00 0.00 72.50 71.04 1ujv s THR 26 CO 0.52 -0.36 -0.03 0.27 -0.54 0.00 0.00 174.62 174.48 1ujv s ILE 27 N -2.36 1.79 0.23 2.99 -4.36 -1.26 -0.80 121.20 117.42 1ujv s ILE 27 Ca 0.29 -2.10 0.00 0.00 -0.26 0.00 0.00 60.65 58.58 1ujv s ILE 27 Cb -0.06 -2.67 -0.05 0.00 1.25 0.00 0.00 42.46 40.94 1ujv s ILE 27 CO 0.15 -0.17 0.11 0.00 0.24 0.00 0.00 174.94 175.28 1ujv s ALA 28 N -2.90 1.46 -0.31 2.27 0.00 0.58 -4.57 121.76 118.30 1ujv s ALA 28 Ca 0.32 -1.79 -0.10 0.00 0.00 0.00 0.00 51.96 50.40 1ujv s ALA 28 Cb 0.05 1.21 -0.01 0.00 0.00 0.00 0.00 23.12 24.38 1ujv s ALA 28 CO 0.15 -0.52 0.15 0.34 0.00 0.00 0.00 175.76 175.88 1ujv s ASP 29 N -3.24 5.55 0.40 0.00 2.15 -1.26 -1.60 116.67 118.67 1ujv s ASP 29 Ca 0.38 -0.50 0.08 0.00 0.43 0.00 0.00 52.55 52.94 1ujv s ASP 29 Cb 0.07 -2.00 -0.04 0.00 -0.30 0.00 0.00 42.92 40.65 1ujv s ASP 29 CO 0.13 -0.18 0.24 -0.94 -0.17 0.00 0.00 175.17 174.24 1ujv s SER 30 N 1.62 4.67 0.00 -0.34 1.04 -0.41 -4.94 113.70 115.33 1ujv s SER 30 Ca 0.05 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1ujv s SER 30 Cb -0.17 -0.55 0.00 0.00 0.10 0.00 0.00 66.02 65.40 1ujv s SER 30 CO 0.06 -0.54 0.20 -0.81 0.98 0.00 0.00 173.24 173.13 1ujv n PRO 31 N -1.33 0.20 0.00 4.02 -0.04 -1.26 -2.32 135.00 134.27 1ujv n PRO 31 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1ujv n PRO 31 Cb 0.63 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.09 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 -0.45 0.00 0.00 0.52 -2.24 -1.26 -5.14 114.28 105.70 1ujv n THR 32 Ca 0.00 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1ujv n THR 32 Cb 0.00 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 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 0.55 0.79 3.77 3.38 0.00 -0.98 -5.04 105.19 107.66 1ujv n GLY 33 Ca 0.00 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.36 4.17 0.20 1.61 1.11 -1.26 -1.29 119.66 122.83 1ujv s GLN 34 Ca 0.00 2.18 0.04 0.00 0.01 0.00 0.00 55.36 57.59 1ujv s GLN 34 Cb 0.00 -2.91 -0.05 0.00 -1.01 0.00 0.00 33.01 29.04 1ujv s GLN 34 CO 0.00 -0.33 -0.06 1.03 0.01 0.00 0.00 175.29 175.94 1ujv s ARG 35 N -2.02 1.24 0.27 2.91 0.52 -0.63 -1.90 118.95 119.34 1ujv s ARG 35 Ca 0.53 -1.59 -0.29 0.00 -0.52 0.00 0.00 55.73 53.86 1ujv s ARG 35 Cb -0.39 -0.70 -0.09 0.00 0.52 0.00 0.00 34.95 34.29 1ujv s ARG 35 CO 0.51 0.01 1.21 0.08 0.02 0.00 0.00 175.30 177.12 1ujv s VAL 36 N -3.32 3.23 -0.22 3.52 1.01 -0.84 -0.31 120.40 123.46 1ujv s VAL 36 Ca 0.23 1.16 -0.17 0.00 0.00 0.00 0.00 61.98 63.20 1ujv s VAL 36 Cb 0.04 -3.74 -0.18 0.00 0.00 0.00 0.00 36.38 32.50 1ujv s VAL 36 CO 0.05 0.25 0.05 1.17 0.00 0.00 0.00 175.10 176.62 1ujv n LYS 37 N 1.52 0.60 -3.45 2.72 4.81 0.02 -1.62 118.16 122.76 1ujv n LYS 37 Ca 0.01 0.44 -0.12 0.00 -0.87 0.00 0.00 58.31 57.77 1ujv n LYS 37 Cb 0.44 -1.66 -0.02 0.00 0.02 0.00 0.00 35.03 33.80 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 -2.43 1.15 -0.04 1.64 0.74 -1.23 -4.70 119.66 114.79 1ujv s GLN 38 Ca -0.31 -0.37 0.04 0.00 0.05 0.00 0.00 55.36 54.77 1ujv s GLN 38 Cb 0.09 0.53 -0.02 0.00 1.10 0.00 0.00 33.01 34.70 1ujv s GLN 38 CO 0.58 -0.49 -0.16 0.42 -0.55 0.00 0.00 175.29 175.09 1ujv s ILE 39 N -3.38 2.88 0.06 -2.34 1.01 -1.26 -0.98 121.20 117.19 1ujv s ILE 39 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1ujv s ILE 39 Cb -0.01 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.35 1ujv s ILE 39 CO -0.10 0.59 0.00 0.18 0.00 0.00 0.00 174.94 175.61 1ujv n LEU 40 N 2.33 0.41 -4.34 2.97 4.77 -1.26 -4.81 117.00 117.07 1ujv n LEU 40 Ca -0.17 0.09 -0.43 0.00 -0.03 0.00 0.00 56.01 55.47 1ujv n LEU 40 Cb 0.52 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1ujv n LEU 40 CO 0.25 -0.39 1.66 -0.67 -1.33 0.00 0.00 177.39 176.91 1ujv n ASP 41 N -3.18 5.09 0.09 -1.43 -0.08 -1.26 -4.80 116.55 110.98 1ujv n ASP 41 Ca 0.00 -2.99 -0.13 0.00 -1.51 0.00 0.00 54.79 50.16 1ujv n ASP 41 Cb 0.23 -1.59 -0.08 0.00 2.34 0.00 0.00 41.12 42.03 1ujv n ASP 41 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1ujv h ILE 42 N 4.60 0.93 -0.65 5.18 2.04 -1.88 -0.92 117.51 126.80 1ujv h ILE 42 Ca 0.37 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 66.10 1ujv h ILE 42 Cb 0.81 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 1ujv h ILE 42 CO 1.38 0.05 0.43 1.56 0.00 0.00 0.00 178.15 181.57 1ujv h GLN 43 N -0.26 0.62 0.00 2.37 4.20 -1.99 -0.74 115.11 119.31 1ujv h GLN 43 Ca -0.02 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 1ujv h GLN 43 Cb 0.21 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 1ujv h GLN 43 CO 0.03 0.41 -0.28 0.78 -0.67 0.00 0.00 178.83 179.09 1ujv h GLY 44 N 0.63 0.00 -5.39 3.46 0.00 -1.82 -3.35 103.07 96.60 1ujv h GLY 44 Ca 0.28 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 47.01 1ujv h GLY 44 CO -0.09 0.00 -0.54 0.00 0.00 0.00 0.00 176.54 175.91 1ujv s PRO 46 N -3.48 4.33 0.00 0.00 0.04 -1.04 -2.46 135.00 132.38 1ujv s PRO 46 Ca 0.48 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.76 1ujv s PRO 46 Cb 0.27 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1ujv s PRO 46 CO -0.13 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.06 1ujv n GLY 47 N 1.18 2.43 3.78 0.56 0.00 -1.26 -4.57 105.19 107.31 1ujv n GLY 47 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 4.09 0.22 0.99 0.20 -1.03 -5.06 118.68 118.10 1ujv s LEU 48 Ca 0.00 2.12 0.06 0.00 0.69 0.00 0.00 54.13 57.00 1ujv s LEU 48 Cb 0.00 -4.21 -0.05 0.00 -0.43 0.00 0.00 46.19 41.50 1ujv s LEU 48 CO 0.00 -0.63 -0.09 0.00 -0.29 0.00 0.00 176.35 175.34 1ujv s GLU 50 N -3.71 3.48 -0.70 0.00 2.02 -1.26 -3.40 118.70 115.13 1ujv s GLU 50 Ca 0.24 1.59 0.00 0.00 0.02 0.00 0.00 54.97 56.82 1ujv s GLU 50 Cb 0.02 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 32.18 1ujv s GLU 50 CO 0.08 -0.74 0.00 0.41 0.02 0.00 0.00 175.26 175.03 1ujv n GLY 51 N 0.12 0.73 3.71 -1.39 0.00 -0.64 -4.92 105.19 102.81 1ujv n GLY 51 Ca 0.11 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.34 7.23 0.11 1.61 1.11 -1.22 -4.65 116.67 118.52 1ujv s ASP 52 Ca 0.00 1.82 -0.30 0.00 0.18 0.00 0.00 52.55 54.25 1ujv s ASP 52 Cb 0.00 -2.57 -0.06 0.00 1.07 0.00 0.00 42.92 41.36 1ujv s ASP 52 CO 0.00 -0.37 1.08 -0.22 1.18 0.00 0.00 175.17 176.84 1ujv s LEU 53 N 1.11 4.45 -0.20 1.23 2.96 -1.26 -1.99 118.68 124.97 1ujv s LEU 53 Ca 0.55 1.96 -0.15 0.00 -0.22 0.00 0.00 54.13 56.27 1ujv s LEU 53 Cb -0.25 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.81 1ujv s LEU 53 CO 0.28 -0.26 0.36 -0.63 -1.32 0.00 0.00 176.35 174.78 1ujv s ILE 54 N 0.29 5.23 -0.08 6.68 1.01 -0.80 -1.02 121.20 132.51 1ujv s ILE 54 Ca 0.51 0.63 -0.05 0.00 0.00 0.00 0.00 60.65 61.74 1ujv s ILE 54 Cb -0.27 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 1ujv s ILE 54 CO 0.32 0.28 -0.13 0.52 0.00 0.00 0.00 174.94 175.93 1ujv n VAL 55 N 4.23 0.71 -4.35 2.92 0.31 -0.16 -4.29 118.33 117.71 1ujv n VAL 55 Ca -0.09 -0.05 -0.24 0.00 -0.01 0.00 0.00 64.34 63.94 1ujv n VAL 55 Cb 0.51 -1.68 -0.12 0.00 -0.91 0.00 0.00 33.84 31.64 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 -2.21 1.32 -0.03 5.55 2.02 -0.85 -0.48 118.70 124.01 1ujv s GLU 56 Ca -0.14 -1.38 0.02 0.00 0.02 0.00 0.00 54.97 53.50 1ujv s GLU 56 Cb 0.05 -1.53 0.01 0.00 0.10 0.00 0.00 34.13 32.75 1ujv s GLU 56 CO 0.17 0.33 -0.08 0.42 0.02 0.00 0.00 175.26 176.12 1ujv s ILE 57 N -1.66 0.73 -1.04 -1.63 1.01 -0.99 -1.63 121.20 115.98 1ujv s ILE 57 Ca 0.15 -0.32 -0.20 0.00 0.00 0.00 0.00 60.65 60.28 1ujv s ILE 57 Cb -0.08 -0.67 0.03 0.00 0.01 0.00 0.00 42.46 41.76 1ujv s ILE 57 CO 0.07 0.24 0.38 0.59 0.00 0.00 0.00 174.94 176.22 1ujv n ASN 58 N 3.41 -2.09 -1.95 3.58 3.02 0.44 -1.01 115.26 120.67 1ujv n ASN 58 Ca -0.19 -1.04 -0.20 0.00 -0.03 0.00 0.00 54.58 53.12 1ujv n ASN 58 Cb 0.54 -1.26 -0.05 0.00 -0.61 0.00 0.00 39.78 38.40 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 -4.14 -1.58 -4.11 3.52 6.02 -1.26 -4.96 117.38 110.88 1ujv n GLN 59 Ca -0.14 1.08 -0.34 0.00 -0.01 0.00 0.00 57.00 57.60 1ujv n GLN 59 Cb 0.48 -5.58 -0.15 0.00 1.02 0.00 0.00 30.24 26.00 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 -4.30 3.12 0.08 -1.09 0.74 -0.18 -5.10 119.66 112.93 1ujv s GLN 60 Ca 0.00 -0.77 -0.31 0.00 0.05 0.00 0.00 55.36 54.34 1ujv s GLN 60 Cb 0.00 -2.70 -0.08 0.00 1.10 0.00 0.00 33.01 31.33 1ujv s GLN 60 CO 0.00 -0.18 1.58 1.21 -0.55 0.00 0.00 175.29 177.35 1ujv s ASN 61 N 1.29 6.66 0.00 6.67 3.04 -1.26 -2.35 114.94 128.98 1ujv s ASN 61 Ca 0.04 2.44 0.00 0.00 0.04 0.00 0.00 52.86 55.38 1ujv s ASN 61 Cb -0.14 -2.57 0.00 0.00 -1.54 0.00 0.00 41.25 37.00 1ujv s ASN 61 CO -0.09 -0.83 0.23 1.33 -3.04 0.00 0.00 177.10 174.70 1ujv n VAL 62 N 4.53 0.00 0.00 -5.21 0.24 0.37 -4.73 118.33 113.52 1ujv n VAL 62 Ca 0.15 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1ujv n VAL 62 Cb 0.41 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.98 1ujv n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ujv n GLN 63 N -0.24 0.00 0.00 7.34 1.13 -1.01 -1.11 117.38 123.49 1ujv n GLN 63 Ca 0.00 0.29 0.05 0.00 -1.94 0.00 0.00 57.00 55.40 1ujv n GLN 63 Cb 0.05 -1.71 -0.04 0.00 0.11 0.00 0.00 30.24 28.65 1ujv n GLN 63 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1ujv n ASN 64 N -1.29 0.71 -4.84 1.08 2.85 -1.26 -4.95 115.26 107.56 1ujv n ASN 64 Ca 0.00 -0.86 -0.31 0.00 -0.11 0.00 0.00 54.58 53.30 1ujv n ASN 64 Cb 0.21 0.83 0.02 0.00 1.24 0.00 0.00 39.78 42.07 1ujv n ASN 64 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1ujv s LEU 65 N -2.19 3.28 0.49 1.20 1.43 -0.27 -5.05 118.68 117.57 1ujv s LEU 65 Ca 0.05 1.56 -0.21 0.00 -1.03 0.00 0.00 54.13 54.50 1ujv s LEU 65 Cb 0.08 -4.49 -0.07 0.00 0.03 0.00 0.00 46.19 41.73 1ujv s LEU 65 CO 0.36 -1.07 1.10 -0.44 0.23 0.00 0.00 176.35 176.53 1ujv s SER 66 N -3.73 6.11 0.63 2.29 0.01 -1.26 -4.90 113.70 112.86 1ujv s SER 66 Ca 0.58 2.13 0.31 0.00 1.31 0.00 0.00 55.95 60.27 1ujv s SER 66 Cb -0.12 -2.58 1.70 0.00 0.21 0.00 0.00 66.02 65.22 1ujv s SER 66 CO 0.49 -0.95 2.02 -0.74 0.41 0.00 0.00 173.24 174.47 1ujv h HIS 67 N 1.64 0.00 0.00 2.43 2.76 -1.96 0.16 115.15 120.18 1ujv h HIS 67 Ca -0.50 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 1ujv h HIS 67 Cb 1.24 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.20 1ujv h HIS 67 CO 0.54 0.00 0.00 1.15 -1.30 0.00 0.00 177.93 178.32 1ujv h THR 68 N 0.00 0.00 0.00 6.26 2.02 -1.99 -2.94 112.91 116.25 1ujv h THR 68 Ca 0.07 -0.70 -0.15 0.00 0.77 0.00 0.00 66.41 66.39 1ujv h THR 68 Cb 0.65 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.73 1ujv h THR 68 CO -0.00 0.00 -0.90 -0.33 0.37 0.00 0.00 175.52 174.66 1ujv h GLU 69 N 0.00 0.00 -1.02 6.66 4.39 -1.33 -2.76 114.58 120.52 1ujv h GLU 69 Ca 0.00 0.00 0.25 0.00 0.34 0.00 0.00 59.36 59.95 1ujv h GLU 69 Cb 0.84 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.38 1ujv h GLU 69 CO 0.00 0.86 0.63 -0.39 -1.16 0.00 0.00 179.01 178.95 1ujv h VAL 70 N -1.00 0.56 0.38 3.13 -1.51 -1.70 0.11 116.25 116.23 1ujv h VAL 70 Ca -0.23 -0.18 -0.02 0.00 -1.23 0.00 0.00 66.70 65.04 1ujv h VAL 70 Cb 1.12 -0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 1ujv h VAL 70 CO -0.14 0.09 -0.18 0.58 -1.23 0.00 0.00 177.57 176.69 1ujv h VAL 71 N 0.52 0.63 -0.93 7.19 2.07 -1.61 -2.28 116.25 121.83 1ujv h VAL 71 Ca 0.61 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.83 1ujv h VAL 71 Cb 1.30 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.81 1ujv h VAL 71 CO -0.37 0.06 0.62 -0.78 0.02 0.00 0.00 177.57 177.12 1ujv h ASP 72 N -0.69 1.06 -0.38 0.57 3.58 -0.88 -0.21 116.42 119.48 1ujv h ASP 72 Ca -0.05 -0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 1ujv h ASP 72 Cb 0.49 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 1ujv h ASP 72 CO 0.09 0.76 0.19 0.40 -2.88 0.00 0.00 179.24 177.80 1ujv h ILE 73 N 1.25 1.16 -0.30 2.25 2.04 -0.89 -0.54 117.51 122.49 1ujv h ILE 73 Ca 0.34 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 1ujv h ILE 73 Cb -0.13 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1ujv h ILE 73 CO -0.08 0.17 -0.01 -0.07 0.00 0.00 0.00 178.15 178.16 1ujv h LEU 74 N 0.47 0.43 -0.84 1.44 3.38 -0.89 -2.35 115.31 116.94 1ujv h LEU 74 Ca 0.13 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1ujv h LEU 74 Cb 0.10 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1ujv h LEU 74 CO -0.02 0.50 -0.32 0.11 0.09 0.00 0.00 178.44 178.81 1ujv h LYS 75 N 0.44 0.49 0.00 1.13 1.57 -0.30 -2.48 116.57 117.42 1ujv h LYS 75 Ca 0.10 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1ujv h LYS 75 Cb 0.31 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1ujv h LYS 75 CO 0.01 0.75 0.00 -3.47 -0.57 0.00 0.00 179.45 176.17 1ujv n ASP 76 N -4.08 0.37 -4.76 0.86 2.03 -0.28 -4.83 116.55 105.87 1ujv n ASP 76 Ca -0.01 0.57 -0.40 0.00 0.52 0.00 0.00 54.79 55.46 1ujv n ASP 76 Cb 0.45 -0.66 0.01 0.00 -0.72 0.00 0.00 41.12 40.21 1ujv n ASP 76 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ujv s PRO 78 N -2.30 4.22 0.30 0.00 0.04 -1.26 -4.97 135.00 131.03 1ujv s PRO 78 Ca 0.58 2.24 -0.30 0.00 0.04 0.00 0.00 61.00 63.57 1ujv s PRO 78 Cb -0.47 -3.53 -0.12 0.00 0.04 0.00 0.00 34.50 30.42 1ujv s PRO 78 CO 0.60 -0.67 1.56 -0.89 0.04 0.00 0.00 177.00 177.63 1ujv n ILE 79 N 4.60 1.12 -0.97 0.56 5.41 -1.26 -2.56 119.36 126.26 1ujv n ILE 79 Ca 0.15 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.62 1ujv n ILE 79 Cb 0.41 -1.90 0.00 0.00 -0.71 0.00 0.00 39.64 37.44 1ujv n ILE 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1ujv n GLY 80 N 1.99 0.54 3.81 7.39 0.00 0.34 -4.95 105.19 114.32 1ujv n GLY 80 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1ujv n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujv s SER 81 N -2.26 5.80 0.39 1.61 0.15 -1.06 -4.89 113.70 113.45 1ujv s SER 81 Ca 0.00 0.13 -0.26 0.00 0.70 0.00 0.00 55.95 56.52 1ujv s SER 81 Cb 0.00 -1.67 -0.09 0.00 -1.71 0.00 0.00 66.02 62.55 1ujv s SER 81 CO 0.00 0.22 1.28 -1.61 1.20 0.00 0.00 173.24 174.33 1ujv s GLU 82 N -2.10 4.07 -0.06 5.44 8.01 -1.26 -3.04 118.70 129.77 1ujv s GLU 82 Ca 0.27 2.10 0.03 0.00 0.01 0.00 0.00 54.97 57.39 1ujv s GLU 82 Cb -0.12 -2.81 0.01 0.00 -4.31 0.00 0.00 34.13 26.89 1ujv s GLU 82 CO 0.19 -0.39 -0.15 0.99 0.01 0.00 0.00 175.26 175.92 1ujv s THR 83 N -1.26 1.27 -0.08 3.63 2.01 0.73 -4.98 115.64 116.96 1ujv s THR 83 Ca 0.55 -0.59 -0.22 0.00 0.31 0.00 0.00 61.69 61.74 1ujv s THR 83 Cb -0.37 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 1ujv s THR 83 CO 0.48 0.38 0.64 -0.44 -0.69 0.00 0.00 174.62 174.98 1ujv s SER 84 N 0.36 6.91 0.07 3.53 0.01 -1.26 -1.62 113.70 121.70 1ujv s SER 84 Ca -0.10 1.09 0.05 0.00 1.31 0.00 0.00 55.95 58.31 1ujv s SER 84 Cb -0.14 -2.38 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 1ujv s SER 84 CO 0.03 -0.07 -0.14 -0.76 0.41 0.00 0.00 173.24 172.71 1ujv s LEU 85 N 0.70 2.27 -0.10 2.44 1.02 -0.35 -0.42 118.68 124.24 1ujv s LEU 85 Ca 0.34 -0.60 0.01 0.00 0.02 0.00 0.00 54.13 53.90 1ujv s LEU 85 Cb -0.17 -0.53 0.02 0.00 0.02 0.00 0.00 46.19 45.53 1ujv s LEU 85 CO 0.16 -0.06 -0.10 -0.63 0.02 0.00 0.00 176.35 175.74 1ujv s ILE 86 N -1.23 1.11 0.14 -0.59 1.01 -0.65 -0.90 121.20 120.10 1ujv s ILE 86 Ca -0.02 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.32 1ujv s ILE 86 Cb -0.10 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 1ujv s ILE 86 CO 0.02 0.37 -0.04 0.27 0.00 0.00 0.00 174.94 175.57 1ujv s ILE 87 N 1.32 3.61 -0.53 2.92 -5.25 0.30 -0.99 121.20 122.59 1ujv s ILE 87 Ca -0.02 -1.35 -0.23 0.00 -0.99 0.00 0.00 60.65 58.06 1ujv s ILE 87 Cb -0.14 -2.77 0.04 0.00 2.95 0.00 0.00 42.46 42.55 1ujv s ILE 87 CO -0.04 -0.02 0.86 -2.28 -1.79 0.00 0.00 174.94 171.67 1ujv s HIS 88 N -1.53 2.86 -0.15 1.37 5.65 -0.19 -1.28 115.29 122.02 1ujv s HIS 88 Ca 0.25 -0.10 -0.06 0.00 0.25 0.00 0.00 55.06 55.40 1ujv s HIS 88 Cb -0.10 -3.93 0.07 0.00 -1.18 0.00 0.00 32.58 27.44 1ujv s HIS 88 CO 0.17 -1.25 0.32 0.50 -0.65 0.00 0.00 174.74 173.83 1ujv s ARG 89 N 3.62 0.24 -0.30 2.88 6.06 -1.26 -4.45 118.95 125.75 1ujv s ARG 89 Ca 0.27 0.79 -0.17 0.00 -2.50 0.00 0.00 55.73 54.12 1ujv s ARG 89 Cb -0.14 0.04 0.18 0.00 0.06 0.00 0.00 34.95 35.10 1ujv s ARG 89 CO 0.18 -0.23 1.16 0.20 -2.50 0.00 0.00 175.30 174.11 1ujv s GLY 90 N 2.08 -0.03 -1.32 8.12 0.00 -1.22 -3.97 107.32 110.98 1ujv s GLY 90 Ca -0.03 3.24 -0.03 0.00 0.00 0.00 0.00 44.72 47.89 1ujv s GLY 90 CO -0.10 3.58 0.59 1.44 0.00 0.00 0.00 173.10 178.60 1ujv n SER 91 N 5.04 -1.50 -4.58 1.64 7.64 -1.26 -4.93 113.62 115.67 1ujv n SER 91 Ca -0.08 -0.93 -0.28 0.00 1.01 0.00 0.00 58.87 58.59 1ujv n SER 91 Cb 0.54 -3.53 0.22 0.00 -1.01 0.00 0.00 64.21 60.43 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 -4.22 1.56 0.00 0.23 0.00 -1.26 -5.07 107.32 98.56 1ujv s GLY 92 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1ujv s GLY 92 CO 0.85 0.45 0.00 -1.55 0.00 0.00 0.00 173.10 172.85 1ujv n PRO 93 N -4.58 0.51 -3.64 2.90 -0.04 -1.26 -5.12 135.00 123.78 1ujv n PRO 93 Ca 0.04 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.26 1ujv n PRO 93 Cb 0.56 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.02 1ujv n PRO 93 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1ujv s SER 94 N -1.08 4.80 1.18 3.54 0.01 -1.26 -5.15 113.70 115.73 1ujv s SER 94 Ca 0.00 -1.09 -0.13 0.00 1.31 0.00 0.00 55.95 56.05 1ujv s SER 94 Cb 0.00 0.27 0.19 0.00 0.21 0.00 0.00 66.02 66.69 1ujv s SER 94 CO 0.00 -1.11 0.60 -1.20 0.41 0.00 0.00 173.24 171.94 1ujv n SER 95 N -1.86 -2.06 0.00 2.44 7.64 -1.26 -5.35 113.62 113.18 1ujv n SER 95 Ca 0.03 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.12 1ujv n SER 95 Cb 0.63 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1ujv n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64