#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2omj n SER 2 N 0.00 2.39 -1.69 1.61 7.64 -1.26 -5.15 113.62 117.16 2omj n SER 2 Ca 0.00 -2.71 -0.04 0.00 1.01 0.00 0.00 58.87 57.13 2omj n SER 2 Cb 0.00 -0.31 -0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2omj n SER 2 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2omj n HIS 3 N -2.14 -1.15 0.06 1.43 -0.00 -1.26 -5.05 115.22 107.10 2omj n HIS 3 Ca 0.11 -0.78 -0.10 0.00 -0.00 0.00 0.00 57.72 56.95 2omj n HIS 3 Cb 0.63 0.27 -0.13 0.00 -0.00 0.00 0.00 29.99 30.76 2omj n HIS 3 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 2omj h MET 4 N 0.00 0.09 0.00 -0.41 2.86 -2.05 -3.48 114.93 111.94 2omj h MET 4 Ca -0.11 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 2omj h MET 4 Cb 0.45 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.16 2omj h MET 4 CO 0.15 1.01 0.00 0.41 1.06 0.00 0.00 176.91 179.53 2omj n GLY 5 N 1.45 1.18 3.27 8.32 0.00 -1.26 -5.09 105.19 113.05 2omj n GLY 5 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 2omj n GLY 5 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2omj s LEU 6 N 0.00 6.07 -0.16 0.99 2.96 -1.26 -4.96 118.68 122.32 2omj s LEU 6 Ca 0.00 -2.07 -0.00 0.00 -0.22 0.00 0.00 54.13 51.84 2omj s LEU 6 Cb 0.00 -2.12 -0.00 0.00 0.50 0.00 0.00 46.19 44.57 2omj s LEU 6 CO 0.00 -0.72 -0.15 0.68 -1.32 0.00 0.00 176.35 174.84 2omj s VAL 7 N 1.14 2.67 0.06 1.68 -7.23 -1.26 -5.12 120.40 112.33 2omj s VAL 7 Ca 0.08 -0.76 0.09 0.00 -1.81 0.00 0.00 61.98 59.58 2omj s VAL 7 Cb -0.24 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.53 2omj s VAL 7 CO -0.01 0.51 -0.26 -1.10 -0.31 0.00 0.00 175.10 173.93 2omj s GLN 8 N 0.92 1.72 -0.05 4.82 -0.21 -1.26 -3.73 119.66 121.87 2omj s GLN 8 Ca -0.03 -1.13 -0.02 0.00 0.02 0.00 0.00 55.36 54.20 2omj s GLN 8 Cb -0.15 -1.93 0.03 0.00 1.00 0.00 0.00 33.01 31.95 2omj s GLN 8 CO -0.02 0.50 0.10 0.50 -2.12 0.00 0.00 175.29 174.25 2omj s ARG 9 N -1.33 0.07 -0.19 2.91 3.52 -1.13 -5.04 118.95 117.75 2omj s ARG 9 Ca 0.12 0.26 -0.29 0.00 -0.13 0.00 0.00 55.73 55.68 2omj s ARG 9 Cb -0.10 -0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.16 2omj s ARG 9 CO 0.02 -0.12 1.09 0.00 -0.81 0.00 0.00 175.30 175.49 2omj s VAL 11 N 3.07 2.97 -0.41 0.00 0.11 -1.23 -5.03 120.40 119.89 2omj s VAL 11 Ca 0.47 -0.67 -0.09 0.00 -2.93 0.00 0.00 61.98 58.77 2omj s VAL 11 Cb -0.17 -2.35 0.07 0.00 -1.53 0.00 0.00 36.38 32.40 2omj s VAL 11 CO 0.10 0.43 0.24 -0.63 -3.33 0.00 0.00 175.10 171.91 2omj s ILE 12 N 1.41 4.19 -0.04 7.04 1.01 -1.26 -3.20 121.20 130.36 2omj s ILE 12 Ca 0.05 -1.35 -0.22 0.00 0.00 0.00 0.00 60.65 59.13 2omj s ILE 12 Cb -0.14 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 38.74 2omj s ILE 12 CO -0.06 -0.46 0.64 -0.63 0.00 0.00 0.00 174.94 174.43 2omj s ILE 13 N 1.43 4.98 -0.28 2.92 1.01 -0.88 -4.50 121.20 125.88 2omj s ILE 13 Ca 0.03 1.33 -0.10 0.00 0.00 0.00 0.00 60.65 61.90 2omj s ILE 13 Cb -0.22 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2omj s ILE 13 CO 0.02 0.34 0.16 -1.10 0.00 0.00 0.00 174.94 174.36 2omj s GLN 14 N 0.31 3.79 0.57 2.79 -0.21 -1.26 -2.27 119.66 123.37 2omj s GLN 14 Ca 0.34 -0.42 -0.19 0.00 0.02 0.00 0.00 55.36 55.11 2omj s GLN 14 Cb -0.18 -3.58 -0.05 0.00 1.00 0.00 0.00 33.01 30.20 2omj s GLN 14 CO 0.17 -0.22 1.17 0.21 -2.12 0.00 0.00 175.29 174.50 2omj s LYS 15 N 1.71 3.17 0.15 2.91 2.20 0.20 -4.75 119.74 125.34 2omj s LYS 15 Ca 0.07 1.72 0.01 0.00 -0.36 0.00 0.00 55.97 57.40 2omj s LYS 15 Cb -0.16 -1.97 0.01 0.00 -1.51 0.00 0.00 37.83 34.20 2omj s LYS 15 CO 0.09 -1.02 0.05 -0.25 -0.36 0.00 0.00 175.35 173.86 2omj n ASP 16 N -1.43 1.98 0.17 1.43 9.92 -1.26 -4.96 116.55 122.40 2omj n ASP 16 Ca 0.13 -1.60 0.07 0.00 -0.53 0.00 0.00 54.79 52.86 2omj n ASP 16 Cb 0.50 0.05 0.57 0.00 -0.64 0.00 0.00 41.12 41.61 2omj n ASP 16 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2omj h ASP 17 N 0.28 0.15 0.02 -2.24 3.32 -2.03 -2.99 116.42 112.92 2omj h ASP 17 Ca -0.11 -0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.76 2omj h ASP 17 Cb 0.37 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 2omj h ASP 17 CO 0.18 0.11 -0.95 0.78 -1.72 0.00 0.00 179.24 177.64 2omj h ASN 18 N 0.17 0.05 -4.21 6.45 -0.26 -2.02 -3.51 115.58 112.26 2omj h ASN 18 Ca 0.05 -0.69 0.00 0.00 -0.56 0.00 0.00 56.30 55.10 2omj h ASN 18 Cb 0.01 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 2omj h ASN 18 CO -0.01 1.38 0.00 0.61 -1.06 0.00 0.00 177.43 178.35 2omj n GLY 19 N 1.53 1.83 3.59 2.83 0.00 -1.13 -5.03 105.19 108.81 2omj n GLY 19 Ca -0.25 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.41 2omj n GLY 19 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2omj s PHE 20 N -1.40 1.48 0.26 1.61 0.08 -1.26 -4.38 117.98 114.36 2omj s PHE 20 Ca 0.00 0.71 -0.03 0.00 0.12 0.00 0.00 56.93 57.74 2omj s PHE 20 Cb 0.00 -3.99 0.32 0.00 -0.57 0.00 0.00 43.02 38.78 2omj s PHE 20 CO 0.00 -3.26 1.77 0.78 -0.10 0.00 0.00 175.22 174.40 2omj h GLY 21 N 15.07 0.91 -3.60 4.36 0.00 -1.96 -3.44 103.07 114.41 2omj h GLY 21 Ca -0.35 -0.58 -0.55 0.00 0.00 0.00 0.00 47.33 45.85 2omj h GLY 21 CO 1.03 0.54 0.70 1.47 0.00 0.00 0.00 176.54 180.28 2omj n LEU 22 N -4.23 4.93 -4.38 3.11 -0.00 -1.26 -4.57 117.00 110.60 2omj n LEU 22 Ca 0.03 1.14 -0.32 0.00 -0.00 0.00 0.00 56.01 56.87 2omj n LEU 22 Cb 0.28 -1.60 -0.15 0.00 -0.00 0.00 0.00 43.42 41.96 2omj n LEU 22 CO 0.41 -0.14 -0.52 -0.89 -0.00 0.00 0.00 177.39 176.26 2omj s THR 23 N -1.18 2.48 0.10 1.47 2.01 -0.47 -4.95 115.64 115.11 2omj s THR 23 Ca 0.59 -0.99 0.10 0.00 0.31 0.00 0.00 61.69 61.70 2omj s THR 23 Cb -0.46 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2omj s THR 23 CO 0.59 0.55 -0.24 0.68 -0.69 0.00 0.00 174.62 175.51 2omj s VAL 24 N -0.69 2.42 -0.14 3.82 -7.23 -1.26 -0.83 120.40 116.49 2omj s VAL 24 Ca 0.11 -1.58 -0.08 0.00 -1.81 0.00 0.00 61.98 58.62 2omj s VAL 24 Cb -0.10 -2.05 0.05 0.00 0.56 0.00 0.00 36.38 34.83 2omj s VAL 24 CO 0.00 0.17 0.34 -0.55 -0.31 0.00 0.00 175.10 174.75 2omj s SER 25 N -1.87 -0.40 0.00 4.85 0.15 -1.11 -4.91 113.70 110.42 2omj s SER 25 Ca 0.15 0.72 0.00 0.00 0.70 0.00 0.00 55.95 57.52 2omj s SER 25 Cb -0.10 0.63 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2omj s SER 25 CO 0.06 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2omj n GLY 26 N 3.97 2.00 0.00 9.45 0.00 -1.26 -3.94 105.19 115.42 2omj n GLY 26 Ca -0.22 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2omj n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2omj n ASP 27 N 0.00 0.00 0.05 1.61 9.92 -1.26 -4.50 116.55 122.36 2omj n ASP 27 Ca 0.00 0.54 -0.03 0.00 -0.53 0.00 0.00 54.79 54.77 2omj n ASP 27 Cb 0.00 -0.05 -0.02 0.00 -0.64 0.00 0.00 41.12 40.41 2omj n ASP 27 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 2omj h ASN 28 N 0.00 -0.19 -1.73 -2.24 2.35 -1.97 -3.37 115.58 108.44 2omj h ASN 28 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2omj h ASN 28 Cb 0.00 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2omj h ASN 28 CO 0.00 0.27 0.00 -0.81 -1.65 0.00 0.00 177.43 175.24 2omj n PRO 29 N -4.83 -0.29 -3.52 0.81 -0.04 -1.26 -3.84 135.00 122.03 2omj n PRO 29 Ca -0.03 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.33 2omj n PRO 29 Cb 0.09 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.45 2omj n PRO 29 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2omj s VAL 30 N -0.95 -0.58 0.02 0.52 1.01 -1.26 -4.47 120.40 114.69 2omj s VAL 30 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.07 2omj s VAL 30 Cb 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 2omj s VAL 30 CO 0.00 -0.02 -0.06 0.72 0.00 0.00 0.00 175.10 175.74 2omj s PHE 31 N 2.54 0.55 -0.17 5.22 -0.71 -1.25 0.32 117.98 124.48 2omj s PHE 31 Ca 0.05 -0.28 -0.29 0.00 -1.04 0.00 0.00 56.93 55.37 2omj s PHE 31 Cb -0.14 -0.34 -0.01 0.00 -1.21 0.00 0.00 43.02 41.32 2omj s PHE 31 CO -0.13 -0.04 1.17 0.08 -1.34 0.00 0.00 175.22 174.95 2omj s VAL 32 N -0.70 4.45 -0.16 -2.49 1.01 0.14 -2.75 120.40 119.89 2omj s VAL 32 Ca -0.04 1.75 -0.16 0.00 0.00 0.00 0.00 61.98 63.53 2omj s VAL 32 Cb -0.06 -4.13 -0.23 0.00 0.00 0.00 0.00 36.38 31.97 2omj s VAL 32 CO 0.00 -0.13 0.32 1.56 0.00 0.00 0.00 175.10 176.85 2omj h GLN 33 N 7.81 0.12 -5.85 2.72 4.20 -1.30 0.60 115.11 123.41 2omj h GLN 33 Ca -0.25 -0.21 -0.50 0.00 0.06 0.00 0.00 58.65 57.75 2omj h GLN 33 Cb 1.10 0.08 -0.20 0.00 0.30 0.00 0.00 27.48 28.75 2omj h GLN 33 CO 0.96 1.10 -0.80 0.45 -0.67 0.00 0.00 178.83 179.87 2omj s SER 34 N -6.94 2.33 -0.03 1.46 0.15 -0.80 -3.88 113.70 105.99 2omj s SER 34 Ca -0.25 -0.73 0.01 0.00 0.70 0.00 0.00 55.95 55.67 2omj s SER 34 Cb 0.06 -0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.28 2omj s SER 34 CO 0.68 -0.02 -0.02 0.68 1.20 0.00 0.00 173.24 175.76 2omj s VAL 35 N -1.53 0.32 -0.53 4.45 -7.23 -1.26 -1.37 120.40 113.25 2omj s VAL 35 Ca 0.07 0.00 -0.26 0.00 -1.81 0.00 0.00 61.98 59.98 2omj s VAL 35 Cb -0.08 -0.38 -0.08 0.00 0.56 0.00 0.00 36.38 36.39 2omj s VAL 35 CO 0.04 0.17 2.44 1.17 -0.31 0.00 0.00 175.10 178.62 2omj n LYS 36 N 4.08 0.96 -1.99 4.82 4.81 -1.26 -4.84 118.16 124.74 2omj n LYS 36 Ca -0.26 -0.02 -0.42 0.00 -0.87 0.00 0.00 58.31 56.74 2omj n LYS 36 Cb 0.51 -3.32 -0.03 0.00 0.02 0.00 0.00 35.03 32.21 2omj n LYS 36 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2omj s GLU 37 N 8.36 4.24 -1.49 1.64 -1.05 -1.26 -1.99 118.70 127.15 2omj s GLU 37 Ca 1.01 2.30 -0.07 0.00 -0.15 0.00 0.00 54.97 58.06 2omj s GLU 37 Cb -0.25 -3.16 0.02 0.00 -0.44 0.00 0.00 34.13 30.30 2omj s GLU 37 CO 0.27 -0.55 0.77 -3.47 0.95 0.00 0.00 175.26 173.24 2omj n ASP 38 N 3.72 -5.90 0.00 0.83 -0.08 -1.26 -4.92 116.55 108.94 2omj n ASP 38 Ca 0.12 -0.39 0.00 0.00 -1.51 0.00 0.00 54.79 53.01 2omj n ASP 38 Cb 0.39 -4.74 0.00 0.00 2.34 0.00 0.00 41.12 39.12 2omj n ASP 38 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2omj n GLY 39 N -1.63 5.42 0.18 0.27 0.00 -1.02 -4.96 105.19 103.44 2omj n GLY 39 Ca -0.06 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.92 2omj n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2omj h ALA 40 N 1.08 0.50 -0.22 4.61 0.00 -1.86 -0.34 119.26 123.04 2omj h ALA 40 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2omj h ALA 40 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2omj h ALA 40 CO 0.00 0.00 0.10 0.00 0.00 0.00 0.00 179.25 179.35 2omj h ALA 41 N 1.10 0.29 0.00 0.00 0.00 -1.89 -1.57 119.26 117.19 2omj h ALA 41 Ca 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2omj h ALA 41 Cb 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2omj h ALA 41 CO -0.03 -0.15 -0.13 1.98 0.00 0.00 0.00 179.25 180.92 2omj h MET 42 N 0.22 0.00 -0.18 0.00 -1.53 -1.23 -2.16 114.93 110.05 2omj h MET 42 Ca 0.08 0.00 -0.19 0.00 -3.44 0.00 0.00 59.70 56.15 2omj h MET 42 Cb 0.13 0.00 -0.00 0.00 -0.55 0.00 0.00 31.60 31.18 2omj h MET 42 CO -0.01 0.13 -0.64 -0.09 0.14 0.00 0.00 176.91 176.44 2omj h ARG 43 N 0.00 0.66 0.00 0.39 2.43 -0.58 -2.98 114.38 114.31 2omj h ARG 43 Ca -0.00 -0.47 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2omj h ARG 43 Cb 0.24 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2omj h ARG 43 CO 0.02 1.09 0.00 0.00 -1.51 0.00 0.00 179.97 179.57 2omj h ALA 44 N 0.79 1.00 0.00 2.80 0.00 -0.69 -3.47 119.26 119.69 2omj h ALA 44 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2omj h ALA 44 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2omj h ALA 44 CO 0.13 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2omj n GLY 45 N 0.52 0.74 3.83 0.00 0.00 -0.90 -4.37 105.19 105.00 2omj n GLY 45 Ca 0.03 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 2omj n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2omj s VAL 46 N -2.00 4.59 0.34 1.61 0.11 -0.96 -5.05 120.40 119.04 2omj s VAL 46 Ca 0.00 1.18 0.09 0.00 -2.93 0.00 0.00 61.98 60.31 2omj s VAL 46 Cb 0.00 -3.75 -0.05 0.00 -1.53 0.00 0.00 36.38 31.06 2omj s VAL 46 CO 0.00 0.01 0.08 -1.10 -3.33 0.00 0.00 175.10 170.76 2omj s GLN 47 N -2.47 2.25 -0.07 1.54 -0.21 -1.26 -4.69 119.66 114.75 2omj s GLN 47 Ca 0.49 -1.62 -0.30 0.00 0.02 0.00 0.00 55.36 53.95 2omj s GLN 47 Cb -0.14 -2.08 -0.02 0.00 1.00 0.00 0.00 33.01 31.78 2omj s GLN 47 CO 0.19 0.14 1.01 0.99 -2.12 0.00 0.00 175.29 175.50 2omj s THR 48 N -2.46 4.77 -0.16 -0.19 2.01 -1.26 -3.63 115.64 114.72 2omj s THR 48 Ca 0.36 2.02 -0.01 0.00 0.31 0.00 0.00 61.69 64.38 2omj s THR 48 Cb -0.02 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.19 2omj s THR 48 CO 0.21 0.04 0.12 0.61 -0.69 0.00 0.00 174.62 174.91 2omj n GLY 49 N 3.06 0.71 3.89 4.40 0.00 0.20 -5.01 105.19 112.43 2omj n GLY 49 Ca 0.08 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 2omj n GLY 49 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2omj s ASP 50 N -3.01 6.53 -0.12 1.61 -1.08 -0.89 -4.83 116.67 114.88 2omj s ASP 50 Ca 0.06 0.87 -0.12 0.00 -0.52 0.00 0.00 52.55 52.83 2omj s ASP 50 Cb -0.03 -2.21 -0.05 0.00 -1.46 0.00 0.00 42.92 39.18 2omj s ASP 50 CO 0.07 -0.18 0.28 -0.13 0.52 0.00 0.00 175.17 175.73 2omj s ARG 51 N -3.29 4.01 -0.31 4.34 0.52 -0.98 0.28 118.95 123.52 2omj s ARG 51 Ca 0.47 0.10 -0.08 0.00 -0.52 0.00 0.00 55.73 55.70 2omj s ARG 51 Cb -0.11 -3.33 0.01 0.00 0.52 0.00 0.00 34.95 32.04 2omj s ARG 51 CO 0.26 0.45 0.11 0.42 0.02 0.00 0.00 175.30 176.57 2omj s ILE 52 N -0.19 4.17 -0.08 1.52 1.01 0.15 0.13 121.20 127.91 2omj s ILE 52 Ca 0.17 -0.66 -0.25 0.00 0.00 0.00 0.00 60.65 59.92 2omj s ILE 52 Cb -0.13 -3.17 -0.27 0.00 0.01 0.00 0.00 42.46 38.89 2omj s ILE 52 CO 0.06 0.04 0.90 0.40 0.00 0.00 0.00 174.94 176.33 2omj h ILE 53 N 5.83 1.61 -3.89 2.92 5.03 -0.40 -3.39 117.51 125.23 2omj h ILE 53 Ca -0.31 -2.30 -0.16 0.00 -0.12 0.00 0.00 64.86 61.97 2omj h ILE 53 Cb 1.13 3.13 -0.20 0.00 -3.03 0.00 0.00 36.82 37.84 2omj h ILE 53 CO 0.61 0.63 -0.64 -1.59 -0.68 0.00 0.00 178.15 176.48 2omj s LYS 54 N -2.58 0.38 -0.18 2.37 0.00 -0.97 -4.57 119.74 114.18 2omj s LYS 54 Ca -0.16 -0.61 -0.02 0.00 0.00 0.00 0.00 55.97 55.18 2omj s LYS 54 Cb -0.00 0.14 0.05 0.00 0.00 0.00 0.00 37.83 38.02 2omj s LYS 54 CO 0.76 -0.07 0.01 0.14 0.00 0.00 0.00 175.35 176.19 2omj s VAL 55 N -1.66 0.72 -1.82 1.79 -7.23 -0.33 -0.61 120.40 111.26 2omj s VAL 55 Ca -0.14 -0.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.44 2omj s VAL 55 Cb -0.08 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.74 2omj s VAL 55 CO -0.01 -0.11 0.00 0.59 -0.31 0.00 0.00 175.10 175.26 2omj n ASN 56 N 4.99 -5.83 0.00 4.85 3.02 0.13 -1.49 115.26 120.93 2omj n ASN 56 Ca -0.10 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 2omj n ASN 56 Cb 0.47 -4.87 0.00 0.00 -0.61 0.00 0.00 39.78 34.77 2omj n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2omj n GLY 57 N -0.95 2.77 3.55 7.41 0.00 -1.26 -5.02 105.19 111.68 2omj n GLY 57 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 2omj n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2omj s THR 58 N -2.67 3.34 -0.32 2.61 2.01 -0.55 -4.80 115.64 115.26 2omj s THR 58 Ca 0.00 0.20 0.08 0.00 0.31 0.00 0.00 61.69 62.28 2omj s THR 58 Cb 0.00 -3.88 0.48 0.00 0.01 0.00 0.00 72.50 69.11 2omj s THR 58 CO 0.00 -0.85 1.43 0.00 -0.69 0.00 0.00 174.62 174.51 2omj n LEU 59 N 12.87 4.45 -4.51 4.42 -0.00 -1.26 -1.19 117.00 131.78 2omj n LEU 59 Ca 0.21 -4.06 -0.25 0.00 -0.00 0.00 0.00 56.01 51.91 2omj n LEU 59 Cb 0.52 -0.59 -0.10 0.00 -0.00 0.00 0.00 43.42 43.25 2omj n LEU 59 CO 0.71 1.49 -0.45 0.54 -0.00 0.00 0.00 177.39 179.68 2omj s VAL 60 N -3.69 2.73 -1.08 1.47 0.11 -1.26 -4.95 120.40 113.73 2omj s VAL 60 Ca 0.47 -2.12 -0.25 0.00 -2.93 0.00 0.00 61.98 57.15 2omj s VAL 60 Cb 0.41 -2.40 -0.17 0.00 -1.53 0.00 0.00 36.38 32.70 2omj s VAL 60 CO -0.00 -0.28 2.08 0.42 -3.33 0.00 0.00 175.10 173.98 2omj s THR 61 N -2.15 3.21 0.88 5.04 -4.23 -1.26 -4.91 115.64 112.22 2omj s THR 61 Ca 0.27 -0.33 -0.13 0.00 -1.18 0.00 0.00 61.69 60.32 2omj s THR 61 Cb -0.07 -4.09 0.15 0.00 1.34 0.00 0.00 72.50 69.83 2omj s THR 61 CO 0.15 -0.39 1.23 -1.00 -0.54 0.00 0.00 174.62 174.06 2omj s HIS 62 N 14.66 2.02 0.14 3.99 3.76 -1.25 -5.02 115.29 133.59 2omj s HIS 62 Ca 0.78 0.36 0.00 0.00 -0.15 0.00 0.00 55.06 56.05 2omj s HIS 62 Cb -0.04 -3.77 -0.00 0.00 1.11 0.00 0.00 32.58 29.87 2omj s HIS 62 CO 0.15 -2.24 0.17 -1.13 -0.85 0.00 0.00 174.74 170.84 2omj n SER 63 N -3.48 -0.45 -2.26 1.40 3.41 -1.26 -4.31 113.62 106.66 2omj n SER 63 Ca 0.13 -1.78 -0.02 0.00 -0.26 0.00 0.00 58.87 56.94 2omj n SER 63 Cb 0.60 0.89 -0.02 0.00 -0.26 0.00 0.00 64.21 65.42 2omj n SER 63 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2omj n ASN 64 N -2.11 -5.15 -0.24 4.04 4.13 -1.26 -4.58 115.26 110.08 2omj n ASN 64 Ca 0.01 1.41 -0.02 0.00 1.68 0.00 0.00 54.58 57.66 2omj n ASN 64 Cb 0.23 -4.61 0.18 0.00 -1.54 0.00 0.00 39.78 34.04 2omj n ASN 64 CO 0.00 0.00 0.00 -0.74 0.28 0.00 0.00 177.26 176.80 2omj h HIS 65 N 3.57 1.03 -0.76 3.10 -0.00 -1.87 -2.41 115.15 117.81 2omj h HIS 65 Ca -0.21 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.24 2omj h HIS 65 Cb 0.46 -0.33 -0.07 0.00 -0.00 0.00 0.00 27.41 27.47 2omj h HIS 65 CO 0.00 0.71 0.42 1.25 -0.00 0.00 0.00 177.93 180.31 2omj h LEU 66 N 1.07 0.59 -0.48 0.26 5.85 -1.98 0.34 115.31 120.96 2omj h LEU 66 Ca 0.27 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 2omj h LEU 66 Cb 0.01 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2omj h LEU 66 CO -0.05 0.35 0.19 -0.33 -0.34 0.00 0.00 178.44 178.27 2omj h GLU 67 N 0.72 0.71 -0.28 1.25 5.08 -1.71 0.36 114.58 120.71 2omj h GLU 67 Ca 0.36 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2omj h GLU 67 Cb 0.32 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2omj h GLU 67 CO -0.24 0.63 0.12 0.28 -1.00 0.00 0.00 179.01 178.81 2omj h VAL 68 N 0.63 1.16 -0.47 3.13 2.07 -1.00 0.33 116.25 122.10 2omj h VAL 68 Ca 0.16 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 2omj h VAL 68 Cb 0.19 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2omj h VAL 68 CO -0.01 0.16 0.24 0.58 0.02 0.00 0.00 177.57 178.56 2omj h VAL 69 N 0.31 1.18 -0.68 2.57 2.07 -0.14 0.31 116.25 121.87 2omj h VAL 69 Ca 0.09 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 2omj h VAL 69 Cb 0.14 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2omj h VAL 69 CO -0.01 0.20 0.25 0.11 0.02 0.00 0.00 177.57 178.13 2omj h LYS 70 N 0.62 1.02 -0.22 1.57 1.57 -0.05 0.34 116.57 121.42 2omj h LYS 70 Ca 0.16 -0.18 -0.15 0.00 -1.87 0.00 0.00 60.65 58.61 2omj h LYS 70 Cb 0.09 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2omj h LYS 70 CO -0.02 0.84 -0.49 -0.07 -0.57 0.00 0.00 179.45 179.14 2omj h LEU 71 N 0.99 0.64 -0.12 2.94 3.38 0.18 0.86 115.31 124.17 2omj h LEU 71 Ca 0.23 -0.32 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 2omj h LEU 71 Cb 0.23 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.80 2omj h LEU 71 CO -0.02 1.02 -0.65 0.40 0.09 0.00 0.00 178.44 179.29 2omj h ILE 72 N 0.46 1.32 0.00 1.22 2.04 0.09 -3.19 117.51 119.46 2omj h ILE 72 Ca 0.02 -1.91 -0.09 0.00 1.00 0.00 0.00 64.86 63.88 2omj h ILE 72 Cb 1.03 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 2omj h ILE 72 CO 0.10 0.59 -0.42 0.07 0.00 0.00 0.00 178.15 178.48 2omj h LYS 73 N 0.32 0.00 -5.16 2.37 2.10 -0.32 -3.40 116.57 112.47 2omj h LYS 73 Ca -0.05 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.28 2omj h LYS 73 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2omj h LYS 73 CO 0.13 0.42 1.02 0.43 -2.00 0.00 0.00 179.45 179.46 2omj n SER 74 N -3.45 2.34 0.00 7.07 7.64 0.29 -4.63 113.62 122.88 2omj n SER 74 Ca 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.26 2omj n SER 74 Cb 0.57 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2omj n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2omj n GLY 75 N 5.60 3.84 0.13 0.23 0.00 -1.26 -4.94 105.19 108.79 2omj n GLY 75 Ca 0.45 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.67 2omj n GLY 75 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2omj h SER 76 N 0.00 0.56 -3.23 1.61 0.02 -1.90 -3.45 113.55 107.15 2omj h SER 76 Ca 0.00 -0.54 -0.67 0.00 -0.84 0.00 0.00 61.79 59.74 2omj h SER 76 Cb 0.00 -0.18 -0.13 0.00 0.14 0.00 0.00 62.40 62.23 2omj h SER 76 CO 0.00 1.38 -0.61 -0.31 -1.14 0.00 0.00 176.83 176.16 2omj s TYR 77 N -2.88 3.21 -0.04 3.45 1.51 -1.26 0.62 117.35 121.95 2omj s TYR 77 Ca -0.06 0.21 -0.00 0.00 -1.01 0.00 0.00 57.07 56.21 2omj s TYR 77 Cb 0.07 -1.78 0.03 0.00 -0.11 0.00 0.00 41.96 40.17 2omj s TYR 77 CO 0.89 0.51 0.01 0.54 -1.11 0.00 0.00 175.55 176.38 2omj s VAL 78 N -0.97 0.21 -0.29 0.71 0.11 -0.96 -5.01 120.40 114.19 2omj s VAL 78 Ca 0.16 0.13 -0.02 0.00 -2.93 0.00 0.00 61.98 59.32 2omj s VAL 78 Cb -0.11 -0.34 0.04 0.00 -1.53 0.00 0.00 36.38 34.44 2omj s VAL 78 CO 0.05 0.19 -0.01 0.00 -3.33 0.00 0.00 175.10 172.00 2omj s ALA 79 N 1.43 2.79 -0.05 1.54 0.00 -1.26 -2.07 121.76 124.14 2omj s ALA 79 Ca -0.04 -1.69 -0.01 0.00 0.00 0.00 0.00 51.96 50.22 2omj s ALA 79 Cb -0.13 -1.89 0.03 0.00 0.00 0.00 0.00 23.12 21.13 2omj s ALA 79 CO -0.03 -1.17 0.01 -0.48 0.00 0.00 0.00 175.76 174.09 2omj s LEU 80 N 1.27 0.80 -0.06 0.00 0.05 -1.19 0.17 118.68 119.72 2omj s LEU 80 Ca -0.04 -0.04 -0.30 0.00 0.05 0.00 0.00 54.13 53.80 2omj s LEU 80 Cb -0.19 -0.30 -0.03 0.00 -2.05 0.00 0.00 46.19 43.61 2omj s LEU 80 CO -0.02 -0.15 1.25 -0.89 -0.55 0.00 0.00 176.35 175.99 2omj s THR 81 N 1.54 4.16 0.48 5.48 2.01 0.22 -3.51 115.64 126.02 2omj s THR 81 Ca -0.02 1.48 0.04 0.00 0.31 0.00 0.00 61.69 63.50 2omj s THR 81 Cb -0.13 -3.95 -0.02 0.00 0.01 0.00 0.00 72.50 68.41 2omj s THR 81 CO -0.03 -0.02 0.10 0.68 -0.69 0.00 0.00 174.62 174.66 2omj s VAL 82 N 2.43 1.58 -0.01 3.82 -7.23 -1.17 0.32 120.40 120.14 2omj s VAL 82 Ca 0.57 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.89 2omj s VAL 82 Cb -0.26 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.25 2omj s VAL 82 CO 0.22 0.00 -0.03 -1.58 -0.31 0.00 0.00 175.10 173.40 2omj s GLN 83 N -3.92 0.26 -0.06 4.82 0.74 0.34 -2.84 119.66 118.99 2omj s GLN 83 Ca 0.21 -0.09 -0.04 0.00 0.05 0.00 0.00 55.36 55.50 2omj s GLN 83 Cb 0.03 -0.27 0.03 0.00 1.10 0.00 0.00 33.01 33.90 2omj s GLN 83 CO 0.12 0.04 0.15 0.20 -0.55 0.00 0.00 175.29 175.25 2omj s GLY 84 N 0.05 -0.06 -0.21 2.59 0.00 -1.24 -2.31 107.32 106.14 2omj s GLY 84 Ca -0.00 0.61 -0.22 0.00 0.00 0.00 0.00 44.72 45.12 2omj s GLY 84 CO -0.00 0.81 0.61 0.50 0.00 0.00 0.00 173.10 175.02 2omj s ARG 85 N 0.84 0.74 0.15 2.90 1.81 -1.26 -4.74 118.95 119.39 2omj s ARG 85 Ca -0.06 0.77 -0.17 0.00 -1.72 0.00 0.00 55.73 54.54 2omj s ARG 85 Cb -0.08 0.36 0.06 0.00 -0.45 0.00 0.00 34.95 34.83 2omj s ARG 85 CO -0.04 -0.11 1.71 -1.35 -0.68 0.00 0.00 175.30 174.83 2omj h PRO 86 N 4.96 0.09 -7.41 3.54 0.11 -2.01 -3.43 132.00 127.84 2omj h PRO 86 Ca -0.28 -0.01 -0.49 0.00 0.11 0.00 0.00 66.00 65.33 2omj h PRO 86 Cb 1.17 -0.02 0.11 0.00 0.11 0.00 0.00 31.00 32.36 2omj h PRO 86 CO 0.15 0.06 0.35 -1.25 -0.21 0.00 0.00 178.00 177.10 2omj s PRO 87 N -6.19 2.28 0.00 1.05 0.04 -1.26 -5.00 135.00 125.93 2omj s PRO 87 Ca -0.13 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.56 2omj s PRO 87 Cb 0.13 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2omj s PRO 87 CO 0.70 -1.48 0.00 0.41 0.04 0.00 0.00 177.00 176.67 2omj n GLY 88 N -2.21 -0.15 0.00 0.56 0.00 -1.26 -5.15 105.19 96.99 2omj n GLY 88 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2omj n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76