#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujv h SER 2 N 0.00 -0.62 -5.90 1.61 4.64 -2.09 -3.49 113.55 107.71 1ujv h SER 2 Ca 0.00 0.02 -0.19 0.00 -0.47 0.00 0.00 61.79 61.15 1ujv h SER 2 Cb 0.00 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1ujv h SER 2 CO 0.00 -0.44 -0.57 -1.20 -0.87 0.00 0.00 176.83 173.75 1ujv n SER 3 N -5.40 -6.71 -4.56 4.97 7.64 -1.26 -4.85 113.62 103.45 1ujv n SER 3 Ca -0.12 -0.20 -0.27 0.00 1.01 0.00 0.00 58.87 59.28 1ujv n SER 3 Cb 0.30 -3.82 -0.05 0.00 -1.01 0.00 0.00 64.21 59.63 1ujv n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1ujv s GLY 4 N -2.70 -0.25 0.12 0.23 0.00 -1.26 -4.51 107.32 98.96 1ujv s GLY 4 Ca 0.11 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.04 1ujv s GLY 4 CO 0.81 3.84 0.00 -1.14 0.00 0.00 0.00 173.10 176.61 1ujv n SER 5 N 15.55 -6.72 -3.12 1.64 3.41 -1.26 -5.08 113.62 118.04 1ujv n SER 5 Ca 0.37 1.39 -0.09 0.00 -0.26 0.00 0.00 58.87 60.29 1ujv n SER 5 Cb 0.49 -4.20 -0.03 0.00 -0.26 0.00 0.00 64.21 60.21 1ujv n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ujv s SER 6 N -0.40 -0.46 0.43 4.04 0.01 -1.26 -5.15 113.70 110.90 1ujv s SER 6 Ca 0.00 -1.59 0.08 0.00 1.31 0.00 0.00 55.95 55.75 1ujv s SER 6 Cb 0.00 1.29 0.01 0.00 0.21 0.00 0.00 66.02 67.54 1ujv s SER 6 CO 0.00 -0.15 0.58 -0.83 0.41 0.00 0.00 173.24 173.25 1ujv s GLY 7 N 1.19 1.94 0.14 3.44 0.00 -1.26 -5.16 107.32 107.62 1ujv s GLY 7 Ca 0.23 -1.67 -0.05 0.00 0.00 0.00 0.00 44.72 43.23 1ujv s GLY 7 CO -0.07 -1.48 0.17 1.20 0.00 0.00 0.00 173.10 172.92 1ujv s GLN 8 N -4.37 1.01 -0.27 2.90 -1.52 -1.26 -5.01 119.66 111.13 1ujv s GLN 8 Ca 0.55 -1.26 -0.11 0.00 -1.95 0.00 0.00 55.36 52.59 1ujv s GLN 8 Cb -0.10 0.31 0.02 0.00 -0.22 0.00 0.00 33.01 33.02 1ujv s GLN 8 CO 0.33 -0.33 0.25 0.00 -0.25 0.00 0.00 175.29 175.29 1ujv n ALA 9 N -0.14 -2.75 -3.34 6.09 0.00 -1.26 -5.06 120.51 114.05 1ujv n ALA 9 Ca -0.08 0.47 -0.12 0.00 0.00 0.00 0.00 53.44 53.71 1ujv n ALA 9 Cb 0.63 -1.67 -0.07 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.81 0.37 0.29 0.00 2.12 -1.26 -4.97 118.70 113.45 1ujv s GLU 10 Ca 0.12 0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.54 1ujv s GLU 10 Cb -0.02 -0.45 0.00 0.00 0.26 0.00 0.00 34.13 33.91 1ujv s GLU 10 CO 0.58 -0.99 0.00 1.28 -0.54 0.00 0.00 175.26 175.59 1ujv n LEU 11 N 5.34 -0.52 -3.83 2.70 4.77 -1.26 -4.97 117.00 119.23 1ujv n LEU 11 Ca -0.01 1.19 -0.27 0.00 -0.03 0.00 0.00 56.01 56.89 1ujv n LEU 11 Cb 0.48 -3.12 -0.17 0.00 -2.33 0.00 0.00 43.42 38.29 1ujv n LEU 11 CO -0.00 -1.60 -0.40 -0.04 -1.33 0.00 0.00 177.39 174.02 1ujv s MET 12 N -3.49 1.10 0.31 3.23 -1.94 -0.66 -4.96 119.30 112.89 1ujv s MET 12 Ca 0.00 -0.39 -0.27 0.00 -1.71 0.00 0.00 55.69 53.31 1ujv s MET 12 Cb 0.00 -1.86 -0.09 0.00 2.01 0.00 0.00 34.83 34.89 1ujv s MET 12 CO 0.00 -0.46 0.99 0.99 -0.01 0.00 0.00 175.02 176.52 1ujv s THR 13 N 1.74 3.97 0.19 2.05 2.01 -1.26 -0.73 115.64 123.61 1ujv s THR 13 Ca 0.01 1.76 -0.04 0.00 0.31 0.00 0.00 61.69 63.73 1ujv s THR 13 Cb -0.15 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 1ujv s THR 13 CO -0.07 0.25 0.19 -0.76 -0.69 0.00 0.00 174.62 173.54 1ujv s LEU 14 N -1.82 1.12 0.18 4.42 1.43 0.07 -4.97 118.68 119.10 1ujv s LEU 14 Ca 0.48 -1.22 0.09 0.00 -1.03 0.00 0.00 54.13 52.46 1ujv s LEU 14 Cb -0.23 0.69 -0.04 0.00 0.03 0.00 0.00 46.19 46.63 1ujv s LEU 14 CO 0.29 -0.87 -0.19 -0.89 0.23 0.00 0.00 176.35 174.92 1ujv s THR 15 N -4.09 1.96 0.27 5.49 2.01 -1.26 -0.99 115.64 119.02 1ujv s THR 15 Ca 0.31 -1.99 0.02 0.00 0.31 0.00 0.00 61.69 60.34 1ujv s THR 15 Cb 0.05 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 1ujv s THR 15 CO 0.08 -0.30 0.08 0.27 -0.69 0.00 0.00 174.62 174.06 1ujv s ILE 16 N -2.06 0.72 0.13 1.82 -4.36 -0.64 -3.83 121.20 112.98 1ujv s ILE 16 Ca 0.18 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.66 1ujv s ILE 16 Cb -0.06 -2.67 -0.04 0.00 1.25 0.00 0.00 42.46 40.95 1ujv s ILE 16 CO 0.08 -0.01 -0.16 -0.69 0.24 0.00 0.00 174.94 174.40 1ujv s VAL 17 N -3.64 2.96 0.90 8.37 1.01 -0.60 -0.53 120.40 128.87 1ujv s VAL 17 Ca 0.37 -1.53 -0.12 0.00 0.00 0.00 0.00 61.98 60.70 1ujv s VAL 17 Cb 0.08 -2.39 0.13 0.00 0.00 0.00 0.00 36.38 34.20 1ujv s VAL 17 CO 0.14 0.05 1.09 -0.75 0.00 0.00 0.00 175.10 175.63 1ujv s LYS 18 N -2.32 1.23 0.17 2.72 2.20 -1.03 -4.64 119.74 118.07 1ujv s LYS 18 Ca 0.20 0.79 0.01 0.00 -0.36 0.00 0.00 55.97 56.60 1ujv s LYS 18 Cb -0.10 -1.81 -0.04 0.00 -1.51 0.00 0.00 37.83 34.37 1ujv s LYS 18 CO 0.12 -2.25 0.04 0.20 -0.36 0.00 0.00 175.35 173.09 1ujv s GLY 19 N -3.45 1.22 0.41 5.54 0.00 -1.26 -4.25 107.32 105.53 1ujv s GLY 19 Ca 0.63 -1.59 0.22 0.00 0.00 0.00 0.00 44.72 43.98 1ujv s GLY 19 CO 0.57 -1.48 1.75 0.00 0.00 0.00 0.00 173.10 173.94 1ujv h ALA 20 N 2.71 0.97 0.00 3.20 0.00 -1.99 0.13 119.26 124.28 1ujv h ALA 20 Ca -0.36 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1ujv h ALA 20 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1ujv h ALA 20 CO 0.61 0.35 0.00 1.04 0.00 0.00 0.00 179.25 181.25 1ujv n GLN 21 N -3.38 0.79 -2.07 0.00 1.13 -1.26 -4.85 117.38 107.74 1ujv n GLN 21 Ca 0.00 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1ujv n GLN 21 Cb 0.49 -1.11 0.00 0.00 0.11 0.00 0.00 30.24 29.72 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 0.24 -0.62 0.22 1.08 0.00 0.38 -4.94 105.19 101.55 1ujv n GLY 22 Ca 0.00 0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.31 -0.58 -1.38 1.61 3.01 -0.64 -4.81 117.46 113.35 1ujv n PHE 23 Ca -0.00 0.31 -0.02 0.00 1.01 0.00 0.00 57.45 58.75 1ujv n PHE 23 Cb 0.50 -0.53 0.21 0.00 -0.01 0.00 0.00 39.48 39.65 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 -2.70 4.79 3.26 1.37 0.00 -1.26 -4.61 105.19 106.04 1ujv n GLY 24 Ca -0.01 -1.20 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 1ujv n GLY 24 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ujv s PHE 25 N -3.18 1.42 0.04 1.61 -0.71 -1.26 -0.71 117.98 115.19 1ujv s PHE 25 Ca 0.44 -1.42 0.05 0.00 -1.04 0.00 0.00 56.93 54.96 1ujv s PHE 25 Cb 0.39 -0.70 -0.02 0.00 -1.21 0.00 0.00 43.02 41.49 1ujv s PHE 25 CO 0.01 -0.63 -0.13 0.95 -1.34 0.00 0.00 175.22 174.08 1ujv s THR 26 N -3.84 1.03 0.15 -4.49 -4.23 0.54 -4.93 115.64 99.87 1ujv s THR 26 Ca 0.38 -1.04 0.10 0.00 -1.18 0.00 0.00 61.69 59.96 1ujv s THR 26 Cb 0.06 -0.96 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 1ujv s THR 26 CO 0.17 -0.08 -0.19 0.27 -0.54 0.00 0.00 174.62 174.25 1ujv s ILE 27 N -0.96 2.69 0.14 2.99 -4.36 -1.26 -1.13 121.20 119.32 1ujv s ILE 27 Ca -0.00 -1.73 0.08 0.00 -0.26 0.00 0.00 60.65 58.74 1ujv s ILE 27 Cb -0.08 -2.27 -0.04 0.00 1.25 0.00 0.00 42.46 41.32 1ujv s ILE 27 CO 0.01 -0.01 -0.17 0.00 0.24 0.00 0.00 174.94 175.01 1ujv s ALA 28 N -1.40 1.80 0.06 2.27 0.00 0.29 -4.69 121.76 120.09 1ujv s ALA 28 Ca 0.20 -1.38 -0.31 0.00 0.00 0.00 0.00 51.96 50.47 1ujv s ALA 28 Cb -0.09 -0.16 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 1ujv s ALA 28 CO 0.11 0.21 1.30 0.34 0.00 0.00 0.00 175.76 177.71 1ujv s ASP 29 N -2.47 6.95 0.25 0.00 2.15 -1.26 -2.12 116.67 120.17 1ujv s ASP 29 Ca 0.12 2.11 0.11 0.00 0.43 0.00 0.00 52.55 55.32 1ujv s ASP 29 Cb -0.06 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.93 1ujv s ASP 29 CO 0.05 -0.58 -0.19 -0.94 -0.17 0.00 0.00 175.17 173.34 1ujv s SER 30 N 1.27 3.29 0.00 -0.34 1.04 -1.20 -4.93 113.70 112.84 1ujv s SER 30 Ca 0.61 -1.00 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1ujv s SER 30 Cb -0.32 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.55 1ujv s SER 30 CO 0.28 -0.00 0.46 -0.81 0.98 0.00 0.00 173.24 174.15 1ujv n PRO 31 N -0.40 0.49 0.00 4.02 -0.04 -1.26 -3.26 135.00 134.55 1ujv n PRO 31 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1ujv n PRO 31 Cb 0.59 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.02 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 -0.40 0.00 0.00 0.52 -2.24 -1.26 -5.12 114.28 105.78 1ujv n THR 32 Ca 0.00 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1ujv n THR 32 Cb 0.02 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 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 0.39 2.91 3.79 3.38 0.00 -1.20 -4.98 105.19 109.48 1ujv n GLY 33 Ca 0.00 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.00 3.49 0.07 1.61 -1.52 -1.26 -3.23 119.66 116.82 1ujv s GLN 34 Ca 0.00 1.40 -0.01 0.00 -1.95 0.00 0.00 55.36 54.80 1ujv s GLN 34 Cb 0.00 -2.04 -0.04 0.00 -0.22 0.00 0.00 33.01 30.71 1ujv s GLN 34 CO 0.00 -0.69 -0.02 1.03 -0.25 0.00 0.00 175.29 175.36 1ujv s ARG 35 N -3.50 0.69 -0.14 2.91 0.52 -0.90 -1.43 118.95 117.09 1ujv s ARG 35 Ca 0.68 -1.27 -0.29 0.00 -0.52 0.00 0.00 55.73 54.32 1ujv s ARG 35 Cb -0.19 0.18 -0.01 0.00 0.52 0.00 0.00 34.95 35.45 1ujv s ARG 35 CO 0.27 -0.13 1.09 0.08 0.02 0.00 0.00 175.30 176.64 1ujv s VAL 36 N -3.92 4.57 -0.04 3.52 1.01 -1.26 -0.55 120.40 123.73 1ujv s VAL 36 Ca 0.11 1.87 -0.20 0.00 0.00 0.00 0.00 61.98 63.76 1ujv s VAL 36 Cb 0.08 -4.21 -0.14 0.00 0.00 0.00 0.00 36.38 32.11 1ujv s VAL 36 CO -0.07 -0.08 0.87 0.50 0.00 0.00 0.00 175.10 176.32 1ujv h LYS 37 N 7.45 -0.33 -1.89 2.72 3.64 -1.40 -3.25 116.57 123.51 1ujv h LYS 37 Ca -0.27 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 1ujv h LYS 37 Cb 1.12 0.07 -0.21 0.00 -0.41 0.00 0.00 32.23 32.80 1ujv h LYS 37 CO 0.92 0.02 0.26 -1.14 -2.27 0.00 0.00 179.45 177.23 1ujv s GLN 38 N -3.61 0.87 -0.60 1.90 0.74 -1.17 -4.89 119.66 112.89 1ujv s GLN 38 Ca -0.12 0.49 -0.06 0.00 0.05 0.00 0.00 55.36 55.71 1ujv s GLN 38 Cb 0.01 0.41 0.16 0.00 1.10 0.00 0.00 33.01 34.69 1ujv s GLN 38 CO 0.43 -0.21 0.45 0.42 -0.55 0.00 0.00 175.29 175.83 1ujv s ILE 39 N -0.59 4.14 0.27 -2.34 1.01 -1.26 -0.34 121.20 122.09 1ujv s ILE 39 Ca -0.05 -2.49 0.15 0.00 0.00 0.00 0.00 60.65 58.26 1ujv s ILE 39 Cb -0.02 -3.69 0.09 0.00 0.01 0.00 0.00 42.46 38.85 1ujv s ILE 39 CO 0.04 -0.86 1.74 -0.07 0.00 0.00 0.00 174.94 175.80 1ujv h LEU 40 N 7.62 0.00 -6.73 2.97 3.38 -1.44 -3.40 115.31 117.70 1ujv h LEU 40 Ca -0.05 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.33 1ujv h LEU 40 Cb 1.01 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 41.36 1ujv h LEU 40 CO 0.76 0.43 -0.81 -0.62 0.09 0.00 0.00 178.44 178.28 1ujv s ASP 41 N -6.66 3.24 0.17 -0.43 -1.08 0.11 -5.00 116.67 107.03 1ujv s ASP 41 Ca -0.01 -2.22 -0.11 0.00 -0.52 0.00 0.00 52.55 49.69 1ujv s ASP 41 Cb 0.12 -0.59 0.07 0.00 -1.46 0.00 0.00 42.92 41.07 1ujv s ASP 41 CO 0.71 -0.31 1.68 0.40 0.52 0.00 0.00 175.17 178.17 1ujv h ILE 42 N 5.24 1.25 0.00 4.11 2.04 -1.85 -1.49 117.51 126.82 1ujv h ILE 42 Ca 0.01 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.96 1ujv h ILE 42 Cb 0.96 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1ujv h ILE 42 CO 0.34 0.34 0.00 0.00 0.00 0.00 0.00 178.15 178.83 1ujv n GLN 43 N -4.35 0.28 0.04 2.37 6.02 -1.26 -1.15 117.38 119.33 1ujv n GLN 43 Ca 0.03 0.11 0.04 0.00 -0.01 0.00 0.00 57.00 57.18 1ujv n GLN 43 Cb 0.24 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 29.93 1ujv n GLN 43 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ujv n GLY 44 N 0.18 -1.25 2.26 1.08 0.00 -0.64 -4.69 105.19 102.13 1ujv n GLY 44 Ca 0.09 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 1ujv n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ujv s PRO 46 N -1.74 4.10 0.00 0.00 0.04 -0.66 -2.70 135.00 134.04 1ujv s PRO 46 Ca 0.37 2.60 0.00 0.00 0.04 0.00 0.00 61.00 64.02 1ujv s PRO 46 Cb 0.21 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.75 1ujv s PRO 46 CO -0.09 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.73 1ujv n GLY 47 N 1.72 1.54 3.76 0.56 0.00 -1.26 -4.44 105.19 107.07 1ujv n GLY 47 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 3.93 0.05 0.99 0.20 -1.10 -5.02 118.68 117.74 1ujv s LEU 48 Ca 0.00 2.76 0.05 0.00 0.69 0.00 0.00 54.13 57.63 1ujv s LEU 48 Cb 0.00 -4.19 -0.04 0.00 -0.43 0.00 0.00 46.19 41.54 1ujv s LEU 48 CO 0.00 -1.41 -0.06 0.00 -0.29 0.00 0.00 176.35 174.59 1ujv s GLU 50 N -1.86 3.52 -1.64 0.00 2.02 -1.26 -3.27 118.70 116.21 1ujv s GLU 50 Ca 0.20 1.43 -0.11 0.00 0.02 0.00 0.00 54.97 56.51 1ujv s GLU 50 Cb -0.11 -2.05 0.10 0.00 0.10 0.00 0.00 34.13 32.17 1ujv s GLU 50 CO 0.12 -0.68 0.46 0.41 0.02 0.00 0.00 175.26 175.60 1ujv n GLY 51 N -0.23 -0.30 1.57 -1.39 0.00 -1.23 -4.98 105.19 98.63 1ujv n GLY 51 Ca 0.10 0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 1ujv n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ujv n ASP 52 N -2.75 -2.82 -3.52 1.61 5.75 -1.20 -4.96 116.55 108.67 1ujv n ASP 52 Ca -0.10 -0.38 -0.24 0.00 -0.01 0.00 0.00 54.79 54.06 1ujv n ASP 52 Cb 0.58 -0.47 -0.14 0.00 -1.03 0.00 0.00 41.12 40.06 1ujv n ASP 52 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1ujv s LEU 53 N 0.00 0.21 0.17 -2.12 1.98 -1.26 -4.66 118.68 113.01 1ujv s LEU 53 Ca 0.29 -0.83 -0.31 0.00 -2.89 0.00 0.00 54.13 50.39 1ujv s LEU 53 Cb -0.05 -0.01 -0.09 0.00 0.66 0.00 0.00 46.19 46.69 1ujv s LEU 53 CO 0.24 -0.39 1.47 -0.63 -1.89 0.00 0.00 176.35 175.16 1ujv s ILE 54 N 2.20 2.84 -0.02 6.68 1.01 -0.52 -1.28 121.20 132.12 1ujv s ILE 54 Ca 0.07 0.63 -0.01 0.00 0.00 0.00 0.00 60.65 61.34 1ujv s ILE 54 Cb -0.16 -3.41 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 1ujv s ILE 54 CO -0.26 0.06 -0.03 0.52 0.00 0.00 0.00 174.94 175.24 1ujv n VAL 55 N 3.49 0.18 -4.09 2.92 0.31 -0.13 -4.32 118.33 116.68 1ujv n VAL 55 Ca 0.11 -0.02 -0.14 0.00 -0.01 0.00 0.00 64.34 64.28 1ujv n VAL 55 Cb 0.40 -1.54 -0.13 0.00 -0.91 0.00 0.00 33.84 31.66 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 -2.05 0.42 -0.09 5.55 2.02 -1.09 -0.69 118.70 122.78 1ujv s GLU 56 Ca -0.03 -0.38 0.01 0.00 0.02 0.00 0.00 54.97 54.59 1ujv s GLU 56 Cb 0.01 -0.31 0.02 0.00 0.10 0.00 0.00 34.13 33.95 1ujv s GLU 56 CO 0.04 0.07 -0.10 0.42 0.02 0.00 0.00 175.26 175.71 1ujv s ILE 57 N -0.59 1.11 -1.41 -1.63 1.01 -0.27 -0.58 121.20 118.83 1ujv s ILE 57 Ca -0.03 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 1ujv s ILE 57 Cb -0.05 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.36 1ujv s ILE 57 CO -0.00 0.37 0.34 0.59 0.00 0.00 0.00 174.94 176.23 1ujv n ASN 58 N 4.34 -0.71 0.00 3.58 3.02 0.48 -1.14 115.26 124.83 1ujv n ASN 58 Ca -0.18 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 1ujv n ASN 58 Cb 0.51 -2.44 0.00 0.00 -0.61 0.00 0.00 39.78 37.24 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 -4.52 0.00 -2.21 3.52 6.02 -1.26 -4.94 117.38 113.99 1ujv n GLN 59 Ca -0.28 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.30 1ujv n GLN 59 Cb 0.67 -2.24 -0.03 0.00 1.02 0.00 0.00 30.24 29.67 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 0.00 4.40 -0.24 -1.09 0.74 -0.29 -4.94 119.66 118.23 1ujv s GLN 60 Ca 0.00 2.07 -0.05 0.00 0.05 0.00 0.00 55.36 57.44 1ujv s GLN 60 Cb 0.00 -3.17 -0.01 0.00 1.10 0.00 0.00 33.01 30.94 1ujv s GLN 60 CO 0.00 -0.21 -0.00 1.21 -0.55 0.00 0.00 175.29 175.73 1ujv s ASN 61 N 0.11 4.60 0.00 6.67 3.04 -1.26 -1.11 114.94 126.98 1ujv s ASN 61 Ca 0.55 -0.46 0.00 0.00 0.04 0.00 0.00 52.86 52.99 1ujv s ASN 61 Cb -0.37 -1.79 0.00 0.00 -1.54 0.00 0.00 41.25 37.55 1ujv s ASN 61 CO 0.41 -0.06 0.48 1.33 -3.04 0.00 0.00 177.10 176.22 1ujv n VAL 62 N 4.82 0.16 0.17 -5.21 0.24 0.14 -4.65 118.33 114.00 1ujv n VAL 62 Ca -0.17 -0.45 0.07 0.00 -2.04 0.00 0.00 64.34 61.75 1ujv n VAL 62 Cb 0.50 1.12 0.38 0.00 -1.47 0.00 0.00 33.84 34.37 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 -0.08 0.10 0.00 7.34 1.13 -1.17 -1.53 117.38 123.17 1ujv n GLN 63 Ca 0.00 0.58 0.00 0.00 -1.94 0.00 0.00 57.00 55.64 1ujv n GLN 63 Cb 0.12 -2.09 0.00 0.00 0.11 0.00 0.00 30.24 28.37 1ujv n GLN 63 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1ujv n ASN 64 N -2.09 1.01 -4.92 1.08 6.94 -1.26 -4.57 115.26 111.45 1ujv n ASN 64 Ca -0.01 -1.41 -0.26 0.00 -0.02 0.00 0.00 54.58 52.88 1ujv n ASN 64 Cb 0.30 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.72 1ujv n ASN 64 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1ujv s LEU 65 N -0.41 3.75 0.60 -4.53 1.43 -0.58 -5.11 118.68 113.83 1ujv s LEU 65 Ca 0.00 0.69 -0.08 0.00 -1.03 0.00 0.00 54.13 53.71 1ujv s LEU 65 Cb 0.00 -3.60 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 1ujv s LEU 65 CO 0.00 -0.51 0.95 -0.44 0.23 0.00 0.00 176.35 176.58 1ujv s SER 66 N -4.10 5.83 0.18 2.29 0.01 -1.26 -4.87 113.70 111.77 1ujv s SER 66 Ca 0.45 0.99 -0.18 0.00 1.31 0.00 0.00 55.95 58.52 1ujv s SER 66 Cb -0.10 -2.02 0.13 0.00 0.21 0.00 0.00 66.02 64.24 1ujv s SER 66 CO 0.41 -0.98 1.63 -0.74 0.41 0.00 0.00 173.24 173.97 1ujv h HIS 67 N -0.23 -0.47 -0.61 2.43 2.76 -1.97 -0.92 115.15 116.14 1ujv h HIS 67 Ca -0.45 0.05 0.03 0.00 -2.20 0.00 0.00 60.37 57.79 1ujv h HIS 67 Cb 1.23 0.28 -0.03 0.00 1.55 0.00 0.00 27.41 30.44 1ujv h HIS 67 CO 0.54 -0.28 0.40 1.15 -1.30 0.00 0.00 177.93 178.44 1ujv h THR 68 N -0.09 1.09 -0.09 6.26 2.02 -1.98 -1.06 112.91 119.05 1ujv h THR 68 Ca 0.23 -0.25 -0.24 0.00 0.77 0.00 0.00 66.41 66.91 1ujv h THR 68 Cb 0.44 0.29 0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1ujv h THR 68 CO -0.53 0.13 -0.89 -0.33 0.37 0.00 0.00 175.52 174.27 1ujv h GLU 69 N 0.73 0.76 -0.52 6.66 5.08 -1.57 0.02 114.58 125.75 1ujv h GLU 69 Ca 0.24 -0.70 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 1ujv h GLU 69 Cb 0.05 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1ujv h GLU 69 CO -0.06 1.29 0.03 0.28 -1.00 0.00 0.00 179.01 179.55 1ujv h VAL 70 N 0.49 1.26 -0.48 3.13 2.07 -0.88 -0.18 116.25 121.66 1ujv h VAL 70 Ca -0.09 -1.04 0.05 0.00 0.82 0.00 0.00 66.70 66.44 1ujv h VAL 70 Cb 1.53 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 1ujv h VAL 70 CO 0.18 0.37 0.20 0.58 0.02 0.00 0.00 177.57 178.93 1ujv h VAL 71 N 0.77 0.90 -0.23 2.57 2.07 -1.13 -1.88 116.25 119.31 1ujv h VAL 71 Ca 0.15 -0.14 -0.19 0.00 0.82 0.00 0.00 66.70 67.35 1ujv h VAL 71 Cb 0.48 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1ujv h VAL 71 CO 0.02 0.07 -0.60 -0.78 0.02 0.00 0.00 177.57 176.31 1ujv h ASP 72 N 0.41 0.86 -0.59 0.57 3.58 -0.16 0.10 116.42 121.19 1ujv h ASP 72 Ca 0.22 -0.49 0.02 0.00 0.42 0.00 0.00 57.03 57.20 1ujv h ASP 72 Cb 0.18 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 1ujv h ASP 72 CO -0.19 1.26 0.37 0.40 -2.88 0.00 0.00 179.24 178.21 1ujv h ILE 73 N 0.57 1.11 -0.18 2.25 2.04 -1.04 0.64 117.51 122.90 1ujv h ILE 73 Ca -0.00 -0.26 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 1ujv h ILE 73 Cb 1.19 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1ujv h ILE 73 CO 0.12 0.14 -0.18 -0.07 0.00 0.00 0.00 178.15 178.16 1ujv h LEU 74 N 0.75 0.30 -0.59 1.44 3.38 -0.89 -1.74 115.31 117.95 1ujv h LEU 74 Ca 0.23 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1ujv h LEU 74 Cb -0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1ujv h LEU 74 CO -0.08 0.50 0.17 0.11 0.09 0.00 0.00 178.44 179.24 1ujv h LYS 75 N 0.28 0.92 0.00 1.13 1.57 0.05 -2.97 116.57 117.55 1ujv h LYS 75 Ca 0.05 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1ujv h LYS 75 Cb 0.49 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1ujv h LYS 75 CO 0.03 0.83 -0.01 0.22 -0.57 0.00 0.00 179.45 179.96 1ujv h ASP 76 N 0.83 0.00 -3.99 0.86 3.58 -0.15 -3.44 116.42 114.12 1ujv h ASP 76 Ca 0.19 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 57.10 1ujv h ASP 76 Cb 0.31 0.00 0.12 0.00 1.72 0.00 0.00 39.33 41.47 1ujv h ASP 76 CO -0.00 0.01 0.67 0.00 -2.88 0.00 0.00 179.24 177.04 1ujv s PRO 78 N -2.48 4.18 0.45 0.00 0.04 -1.26 -5.02 135.00 130.91 1ujv s PRO 78 Ca 0.62 1.96 -0.24 0.00 0.04 0.00 0.00 61.00 63.38 1ujv s PRO 78 Cb -0.42 -2.84 -0.07 0.00 0.04 0.00 0.00 34.50 31.20 1ujv s PRO 78 CO 0.54 -0.25 1.26 0.42 0.04 0.00 0.00 177.00 179.01 1ujv s ILE 79 N -1.30 2.71 0.00 0.56 1.01 -1.26 -3.84 121.20 119.08 1ujv s ILE 79 Ca 0.54 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.76 1ujv s ILE 79 Cb -0.34 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 38.82 1ujv s ILE 79 CO 0.43 0.04 0.00 0.61 0.00 0.00 0.00 174.94 176.02 1ujv n GLY 80 N 0.61 1.03 3.85 6.18 0.00 -1.26 -4.98 105.19 110.62 1ujv n GLY 80 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.94 5.71 0.70 1.61 0.15 -1.25 -4.88 113.70 112.80 1ujv s SER 81 Ca 0.00 -0.13 -0.15 0.00 0.70 0.00 0.00 55.95 56.36 1ujv s SER 81 Cb 0.00 -1.52 0.02 0.00 -1.71 0.00 0.00 66.02 62.81 1ujv s SER 81 CO 0.00 -0.00 1.19 -1.61 1.20 0.00 0.00 173.24 174.01 1ujv s GLU 82 N -3.60 2.38 -0.09 5.44 8.01 -1.26 -2.48 118.70 127.11 1ujv s GLU 82 Ca 0.33 1.70 0.02 0.00 0.01 0.00 0.00 54.97 57.03 1ujv s GLU 82 Cb -0.09 -1.87 0.01 0.00 -4.31 0.00 0.00 34.13 27.87 1ujv s GLU 82 CO 0.25 -1.64 -0.15 0.99 0.01 0.00 0.00 175.26 174.72 1ujv s THR 83 N -2.00 1.40 -0.09 3.63 2.01 0.31 -4.90 115.64 116.00 1ujv s THR 83 Ca 0.73 -0.61 -0.30 0.00 0.31 0.00 0.00 61.69 61.82 1ujv s THR 83 Cb -0.28 -1.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.95 1ujv s THR 83 CO 0.43 0.42 1.00 -0.44 -0.69 0.00 0.00 174.62 175.33 1ujv s SER 84 N 0.74 7.27 0.15 3.53 0.01 -1.26 -1.63 113.70 122.51 1ujv s SER 84 Ca -0.12 1.55 0.10 0.00 1.31 0.00 0.00 55.95 58.79 1ujv s SER 84 Cb -0.16 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 1ujv s SER 84 CO 0.03 -0.41 -0.23 -0.76 0.41 0.00 0.00 173.24 172.28 1ujv s LEU 85 N 1.81 2.37 -0.06 2.44 1.02 -0.16 -0.39 118.68 125.71 1ujv s LEU 85 Ca 0.49 -0.79 0.01 0.00 0.02 0.00 0.00 54.13 53.86 1ujv s LEU 85 Cb -0.19 -1.05 0.02 0.00 0.02 0.00 0.00 46.19 45.00 1ujv s LEU 85 CO 0.20 0.09 -0.07 -0.63 0.02 0.00 0.00 176.35 175.96 1ujv s ILE 86 N -1.45 0.78 0.27 -0.59 1.01 0.25 -0.75 121.20 120.72 1ujv s ILE 86 Ca 0.14 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 60.61 1ujv s ILE 86 Cb -0.09 -0.77 -0.06 0.00 0.01 0.00 0.00 42.46 41.56 1ujv s ILE 86 CO 0.07 0.28 -0.06 0.27 0.00 0.00 0.00 174.94 175.50 1ujv s ILE 87 N 0.93 1.64 -0.24 2.92 -5.25 0.09 -0.96 121.20 120.33 1ujv s ILE 87 Ca -0.10 -2.13 -0.05 0.00 -0.99 0.00 0.00 60.65 57.38 1ujv s ILE 87 Cb -0.15 -2.43 -0.01 0.00 2.95 0.00 0.00 42.46 42.83 1ujv s ILE 87 CO 0.01 -0.31 -0.01 -2.28 -1.79 0.00 0.00 174.94 170.56 1ujv s HIS 88 N -3.02 3.02 -0.44 1.37 2.46 -0.40 -1.65 115.29 116.63 1ujv s HIS 88 Ca 0.29 -0.92 0.07 0.00 0.47 0.00 0.00 55.06 54.97 1ujv s HIS 88 Cb 0.04 -2.15 0.18 0.00 -0.13 0.00 0.00 32.58 30.52 1ujv s HIS 88 CO 0.12 -0.54 0.66 0.50 -2.47 0.00 0.00 174.74 173.01 1ujv s ARG 89 N 1.49 0.87 0.00 2.88 3.52 -1.26 -4.05 118.95 122.40 1ujv s ARG 89 Ca 0.05 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.19 1ujv s ARG 89 Cb -0.15 0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.30 1ujv s ARG 89 CO -0.01 -1.21 0.00 0.41 -0.81 0.00 0.00 175.30 173.68 1ujv n GLY 90 N 4.02 -1.14 0.26 8.12 0.00 -1.26 -4.91 105.19 110.29 1ujv n GLY 90 Ca 0.13 0.56 0.07 0.00 0.00 0.00 0.00 46.02 46.78 1ujv n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ujv n SER 91 N 0.00 1.57 0.00 1.61 3.41 -1.26 -4.88 113.62 114.07 1ujv n SER 91 Ca 0.00 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.84 1ujv n SER 91 Cb 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 1ujv n SER 91 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujv n GLY 92 N -0.94 0.54 3.70 5.00 0.00 -1.26 -5.05 105.19 107.18 1ujv n GLY 92 Ca 0.11 -2.27 -0.31 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.09 1.45 -0.12 1.61 0.04 -1.26 -5.05 135.00 131.58 1ujv s PRO 93 Ca 0.00 1.48 -0.01 0.00 0.04 0.00 0.00 61.00 62.51 1ujv s PRO 93 Cb 0.00 -1.78 0.04 0.00 0.04 0.00 0.00 34.50 32.79 1ujv s PRO 93 CO 0.00 -2.30 -0.01 -1.12 0.04 0.00 0.00 177.00 173.61 1ujv s SER 94 N -2.78 2.15 0.29 6.66 0.01 -1.26 -5.10 113.70 113.68 1ujv s SER 94 Ca 0.66 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.56 1ujv s SER 94 Cb -0.22 -0.60 -0.02 0.00 0.21 0.00 0.00 66.02 65.39 1ujv s SER 94 CO 0.56 -0.21 0.32 -0.44 0.41 0.00 0.00 173.24 173.89 1ujv s SER 95 N 1.86 0.89 0.00 2.44 0.01 -1.26 -5.25 113.70 112.39 1ujv s SER 95 Ca 0.03 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.79 1ujv s SER 95 Cb -0.14 0.55 0.00 0.00 0.21 0.00 0.00 66.02 66.64 1ujv s SER 95 CO -0.07 -1.09 0.00 0.61 0.41 0.00 0.00 173.24 173.10