#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 -1.44 -0.01 1.61 3.41 -1.26 -5.04 113.62 110.89 2omj n SER 2 Ca 0.00 0.37 -0.00 0.00 -0.26 0.00 0.00 58.87 58.98 2omj n SER 2 Cb 0.00 1.59 -0.00 0.00 -0.26 0.00 0.00 64.21 65.54 2omj n SER 2 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2omj h HIS 3 N 0.00 0.00 -4.94 7.33 -0.00 -2.08 -3.50 115.15 111.96 2omj h HIS 3 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.38 2omj h HIS 3 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 27.41 27.29 2omj h HIS 3 CO 0.00 0.00 -1.53 -1.33 -0.00 0.00 0.00 177.93 175.07 2omj n MET 4 N -2.35 -4.73 0.00 5.26 2.00 -1.26 -5.06 117.12 110.97 2omj n MET 4 Ca -0.00 3.54 0.00 0.00 0.00 0.00 0.00 57.70 61.24 2omj n MET 4 Cb 0.01 -5.04 0.00 0.00 0.00 0.00 0.00 33.22 28.18 2omj n MET 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2omj n GLY 5 N 1.73 0.06 2.58 3.03 0.00 -1.23 -4.56 105.19 106.81 2omj n GLY 5 Ca -0.37 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 2omj n GLY 5 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2omj n LEU 6 N -1.36 7.02 -3.81 0.99 4.32 -1.26 -1.98 117.00 120.92 2omj n LEU 6 Ca 0.00 -4.45 -0.25 0.00 -0.02 0.00 0.00 56.01 51.29 2omj n LEU 6 Cb 0.00 -1.22 -0.17 0.00 -1.62 0.00 0.00 43.42 40.41 2omj n LEU 6 CO 0.00 1.82 -0.40 -0.69 -1.22 0.00 0.00 177.39 176.90 2omj s VAL 7 N -2.73 0.58 -0.19 4.08 1.01 -1.26 -5.09 120.40 116.80 2omj s VAL 7 Ca 0.55 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.41 2omj s VAL 7 Cb 0.35 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 2omj s VAL 7 CO -0.23 0.24 0.01 0.00 0.00 0.00 0.00 175.10 175.12 2omj s GLN 8 N 1.88 3.70 0.01 2.72 -2.07 -1.26 -3.56 119.66 121.08 2omj s GLN 8 Ca 0.04 -0.48 -0.03 0.00 -1.82 0.00 0.00 55.36 53.07 2omj s GLN 8 Cb -0.13 -3.09 -0.01 0.00 -1.09 0.00 0.00 33.01 28.69 2omj s GLN 8 CO -0.06 0.09 0.04 0.50 -1.32 0.00 0.00 175.29 174.54 2omj s ARG 9 N 0.80 0.34 0.62 9.60 6.06 -1.21 -5.04 118.95 130.12 2omj s ARG 9 Ca 0.01 -0.45 -0.11 0.00 -2.50 0.00 0.00 55.73 52.67 2omj s ARG 9 Cb -0.14 0.13 -0.04 0.00 0.06 0.00 0.00 34.95 34.96 2omj s ARG 9 CO 0.02 -0.07 1.03 0.00 -2.50 0.00 0.00 175.30 173.78 2omj s VAL 11 N -3.13 -0.37 -0.39 0.00 0.11 -0.96 -4.96 120.40 110.70 2omj s VAL 11 Ca 0.56 -0.16 -0.17 0.00 -2.93 0.00 0.00 61.98 59.28 2omj s VAL 11 Cb -0.11 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 34.01 2omj s VAL 11 CO 0.52 -0.23 0.44 -0.63 -3.33 0.00 0.00 175.10 171.88 2omj s ILE 12 N 2.36 5.08 0.16 7.04 1.09 -1.26 -3.05 121.20 132.61 2omj s ILE 12 Ca 0.08 -0.14 -0.16 0.00 -1.10 0.00 0.00 60.65 59.34 2omj s ILE 12 Cb -0.16 -3.99 -0.07 0.00 -1.06 0.00 0.00 42.46 37.18 2omj s ILE 12 CO -0.15 -0.33 0.59 -0.63 -0.10 0.00 0.00 174.94 174.31 2omj s ILE 13 N 2.19 4.79 -0.17 2.92 1.01 -0.75 -4.66 121.20 126.54 2omj s ILE 13 Ca 0.14 0.95 -0.04 0.00 0.00 0.00 0.00 60.65 61.70 2omj s ILE 13 Cb -0.16 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 2omj s ILE 13 CO 0.14 0.26 -0.04 -1.10 0.00 0.00 0.00 174.94 174.20 2omj s GLN 14 N -1.89 3.63 -0.35 2.79 1.11 -1.26 -2.29 119.66 121.40 2omj s GLN 14 Ca 0.38 -0.53 -0.27 0.00 0.01 0.00 0.00 55.36 54.95 2omj s GLN 14 Cb -0.16 -2.94 0.01 0.00 -1.01 0.00 0.00 33.01 28.92 2omj s GLN 14 CO 0.19 0.17 0.98 0.21 0.01 0.00 0.00 175.29 176.86 2omj s LYS 15 N 0.54 3.94 0.00 2.91 2.20 0.62 -4.88 119.74 125.07 2omj s LYS 15 Ca -0.03 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 56.37 2omj s LYS 15 Cb -0.14 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.41 2omj s LYS 15 CO 0.03 -0.92 0.00 -0.25 -0.36 0.00 0.00 175.35 173.85 2omj n ASP 16 N 6.80 0.00 0.12 1.43 8.00 -1.08 -4.86 116.55 126.97 2omj n ASP 16 Ca 0.09 -0.82 0.13 0.00 0.71 0.00 0.00 54.79 54.90 2omj n ASP 16 Cb 0.48 0.00 0.65 0.00 -0.02 0.00 0.00 41.12 42.22 2omj n ASP 16 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 2omj h ASP 17 N 0.00 0.03 0.07 -2.24 3.32 -2.04 -2.57 116.42 112.99 2omj h ASP 17 Ca 0.00 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 2omj h ASP 17 Cb 0.00 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 2omj h ASP 17 CO 0.00 0.02 -0.91 0.78 -1.72 0.00 0.00 179.24 177.41 2omj h ASN 18 N 0.04 0.22 0.00 6.45 -0.26 -2.00 -3.51 115.58 116.52 2omj h ASN 18 Ca 0.13 -0.84 0.00 0.00 -0.56 0.00 0.00 56.30 55.03 2omj h ASN 18 Cb 0.46 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 2omj h ASN 18 CO -0.01 1.39 0.00 0.61 -1.06 0.00 0.00 177.43 178.37 2omj n GLY 19 N 1.63 0.66 2.99 2.83 0.00 -0.97 -5.03 105.19 107.30 2omj n GLY 19 Ca -0.21 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 2.46 0.07 1.61 0.08 -1.26 -2.64 117.98 118.30 2omj s PHE 20 Ca 0.00 -1.65 0.13 0.00 0.12 0.00 0.00 56.93 55.52 2omj s PHE 20 Cb 0.00 -1.64 0.17 0.00 -0.57 0.00 0.00 43.02 40.98 2omj s PHE 20 CO 0.00 -0.75 1.49 0.78 -0.10 0.00 0.00 175.22 176.64 2omj h GLY 21 N 7.96 0.00 -5.68 4.36 0.00 -1.95 -3.45 103.07 104.31 2omj h GLY 21 Ca -0.26 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.44 2omj h GLY 21 CO 0.47 0.00 0.99 1.04 0.00 0.00 0.00 176.54 179.03 2omj n LEU 22 N -3.43 3.15 -4.59 3.11 4.32 -1.26 -4.66 117.00 113.65 2omj n LEU 22 Ca 0.00 1.01 -0.37 0.00 -0.02 0.00 0.00 56.01 56.64 2omj n LEU 22 Cb 0.72 -1.34 -0.11 0.00 -1.62 0.00 0.00 43.42 41.08 2omj n LEU 22 CO 0.42 -0.19 -0.20 -0.89 -1.22 0.00 0.00 177.39 175.31 2omj s THR 23 N 3.26 5.12 0.10 -5.08 2.01 0.17 -4.96 115.64 116.25 2omj s THR 23 Ca 0.91 0.10 0.09 0.00 0.31 0.00 0.00 61.69 63.09 2omj s THR 23 Cb -0.76 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 2omj s THR 23 CO 0.51 0.31 -0.22 0.68 -0.69 0.00 0.00 174.62 175.21 2omj s VAL 24 N 1.42 1.80 -0.14 3.82 -7.23 -1.26 -1.17 120.40 117.63 2omj s VAL 24 Ca 0.07 -1.52 -0.08 0.00 -1.81 0.00 0.00 61.98 58.63 2omj s VAL 24 Cb -0.15 -1.62 0.05 0.00 0.56 0.00 0.00 36.38 35.22 2omj s VAL 24 CO 0.07 0.02 0.34 -0.44 -0.31 0.00 0.00 175.10 174.77 2omj s SER 25 N -1.80 -0.39 0.00 4.85 0.01 -1.21 -4.98 113.70 110.18 2omj s SER 25 Ca 0.08 0.72 0.00 0.00 1.31 0.00 0.00 55.95 58.06 2omj s SER 25 Cb -0.10 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.76 2omj s SER 25 CO 0.04 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2omj n GLY 26 N 3.97 0.78 0.00 3.44 0.00 -1.26 -4.29 105.19 107.82 2omj n GLY 26 Ca -0.22 0.59 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 0.10 1.61 8.00 -1.26 -4.08 116.55 120.92 2omj n ASP 27 Ca 0.00 0.81 -0.05 0.00 0.71 0.00 0.00 54.79 56.26 2omj n ASP 27 Cb 0.00 -0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 40.76 2omj n ASP 27 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2omj h ASN 28 N 0.00 -0.29 -1.44 -2.24 2.35 -1.97 -3.37 115.58 108.62 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 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2omj h ASN 28 CO 0.00 0.13 0.00 -0.81 -1.65 0.00 0.00 177.43 175.10 2omj n PRO 29 N -4.81 -0.18 -3.16 0.81 -0.04 -1.26 -4.68 135.00 121.67 2omj n PRO 29 Ca -0.04 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.45 2omj n PRO 29 Cb 0.13 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.59 2omj n PRO 29 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2omj s VAL 30 N -0.81 -0.98 0.08 0.52 0.11 -1.26 -4.52 120.40 113.54 2omj s VAL 30 Ca 0.00 -0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.07 2omj s VAL 30 Cb 0.00 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2omj s VAL 30 CO 0.00 -0.01 -0.09 0.72 -3.33 0.00 0.00 175.10 172.39 2omj s PHE 31 N 2.82 0.93 -0.01 1.54 -0.12 -1.26 0.18 117.98 122.05 2omj s PHE 31 Ca 0.15 -0.64 -0.17 0.00 -0.05 0.00 0.00 56.93 56.22 2omj s PHE 31 Cb -0.12 -0.52 -0.06 0.00 -0.63 0.00 0.00 43.02 41.69 2omj s PHE 31 CO -0.24 -0.05 0.46 0.08 -0.05 0.00 0.00 175.22 175.43 2omj s VAL 32 N -2.26 5.00 -0.19 -2.49 1.01 0.78 -3.30 120.40 118.94 2omj s VAL 32 Ca 0.02 0.95 -0.11 0.00 0.00 0.00 0.00 61.98 62.83 2omj s VAL 32 Cb -0.04 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 2omj s VAL 32 CO -0.01 0.52 -0.28 1.67 0.00 0.00 0.00 175.10 177.00 2omj n GLN 33 N 2.22 0.44 -4.38 2.72 7.27 -0.32 0.12 117.38 125.45 2omj n GLN 33 Ca -0.12 0.19 -0.27 0.00 0.07 0.00 0.00 57.00 56.88 2omj n GLN 33 Cb 0.52 -1.25 -0.13 0.00 2.41 0.00 0.00 30.24 31.79 2omj n GLN 33 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2omj s SER 34 N -6.71 2.92 0.06 1.69 0.15 -0.97 -3.26 113.70 107.58 2omj s SER 34 Ca -0.28 -0.70 0.02 0.00 0.70 0.00 0.00 55.95 55.68 2omj s SER 34 Cb 0.10 -0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.19 2omj s SER 34 CO 0.37 0.13 -0.07 0.68 1.20 0.00 0.00 173.24 175.55 2omj s VAL 35 N -1.08 0.54 -0.73 4.45 -7.23 -1.26 -0.65 120.40 114.44 2omj s VAL 35 Ca 0.10 -1.35 -0.26 0.00 -1.81 0.00 0.00 61.98 58.66 2omj s VAL 35 Cb -0.10 -0.94 -0.06 0.00 0.56 0.00 0.00 36.38 35.84 2omj s VAL 35 CO 0.05 -0.56 2.07 -0.75 -0.31 0.00 0.00 175.10 175.60 2omj s LYS 36 N -2.34 2.34 0.33 4.82 2.47 -1.26 -4.88 119.74 121.22 2omj s LYS 36 Ca -0.03 0.38 -0.29 0.00 -1.56 0.00 0.00 55.97 54.47 2omj s LYS 36 Cb -0.05 -4.73 -0.10 0.00 -1.46 0.00 0.00 37.83 31.49 2omj s LYS 36 CO -0.02 -3.36 1.37 -1.21 0.16 0.00 0.00 175.35 172.29 2omj s GLU 37 N 7.55 4.28 -1.62 4.03 2.02 -1.26 -2.03 118.70 131.67 2omj s GLU 37 Ca 0.77 2.32 -0.01 0.00 0.02 0.00 0.00 54.97 58.07 2omj s GLU 37 Cb -0.11 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.07 2omj s GLU 37 CO 0.11 -0.30 0.11 -3.47 0.02 0.00 0.00 175.26 171.73 2omj n ASP 38 N 0.93 -5.58 0.00 -0.19 2.03 -1.26 -4.89 116.55 107.59 2omj n ASP 38 Ca 0.01 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.28 2omj n ASP 38 Cb 0.41 -4.63 0.00 0.00 -0.72 0.00 0.00 41.12 36.18 2omj n ASP 38 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2omj n GLY 39 N -1.07 5.49 0.31 0.27 0.00 -1.01 -4.97 105.19 104.22 2omj n GLY 39 Ca -0.20 -1.09 -0.05 0.00 0.00 0.00 0.00 46.02 44.68 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 1.01 0.99 -0.19 4.61 0.00 -1.90 0.14 119.26 123.92 2omj h ALA 40 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2omj h ALA 40 Cb 0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2omj h ALA 40 CO 0.00 0.46 0.06 0.00 0.00 0.00 0.00 179.25 179.77 2omj h ALA 41 N 1.25 0.25 -0.31 0.00 0.00 -1.91 0.19 119.26 118.74 2omj h ALA 41 Ca 0.28 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2omj h ALA 41 Cb -0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2omj h ALA 41 CO -0.05 -0.12 -0.16 1.98 0.00 0.00 0.00 179.25 180.89 2omj h MET 42 N 0.14 0.55 -0.02 0.00 -1.53 -1.19 -2.25 114.93 110.64 2omj h MET 42 Ca 0.06 -0.18 -0.16 0.00 -3.44 0.00 0.00 59.70 55.98 2omj h MET 42 Cb 0.23 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.22 2omj h MET 42 CO -0.00 0.70 -0.73 -0.09 0.14 0.00 0.00 176.91 176.92 2omj h ARG 43 N 0.50 0.12 0.00 0.39 9.65 -0.52 -3.01 114.38 121.51 2omj h ARG 43 Ca 0.09 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2omj h ARG 43 Cb 0.57 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.18 2omj h ARG 43 CO 0.04 0.80 0.00 0.00 2.80 0.00 0.00 179.97 183.60 2omj h ALA 44 N 1.17 1.00 -1.90 2.80 0.00 -0.30 -3.48 119.26 118.56 2omj h ALA 44 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2omj h ALA 44 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2omj h ALA 44 CO 0.10 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.76 2omj n GLY 45 N 0.83 0.57 3.93 0.00 0.00 -0.90 -4.42 105.19 105.21 2omj n GLY 45 Ca 0.04 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 2omj n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2omj s VAL 46 N -2.72 4.92 -0.17 1.61 1.01 -0.90 -4.86 120.40 119.28 2omj s VAL 46 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.67 2omj s VAL 46 Cb 0.00 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.61 2omj s VAL 46 CO 0.00 -0.60 -0.05 -1.10 0.00 0.00 0.00 175.10 173.34 2omj s GLN 47 N -4.45 1.44 0.20 2.72 1.11 -1.26 -4.91 119.66 114.50 2omj s GLN 47 Ca 0.43 -0.55 -0.33 0.00 0.01 0.00 0.00 55.36 54.92 2omj s GLN 47 Cb -0.10 -2.05 -0.13 0.00 -1.01 0.00 0.00 33.01 29.72 2omj s GLN 47 CO 0.38 -0.45 1.60 -2.37 0.01 0.00 0.00 175.29 174.46 2omj n THR 48 N 4.86 0.23 -2.15 -0.19 5.66 -1.26 -1.91 114.28 119.51 2omj n THR 48 Ca -0.12 -0.06 -0.05 0.00 -3.05 0.00 0.00 64.05 60.77 2omj n THR 48 Cb 0.47 -1.69 -0.00 0.00 -1.55 0.00 0.00 70.33 67.56 2omj n THR 48 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2omj n GLY 49 N 3.27 0.20 3.93 1.09 0.00 0.32 -4.96 105.19 109.04 2omj n GLY 49 Ca 0.15 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.24 2omj n GLY 49 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2omj s ASP 50 N -2.80 6.38 0.07 1.61 1.47 -0.78 -4.86 116.67 117.75 2omj s ASP 50 Ca 0.01 0.34 -0.14 0.00 1.18 0.00 0.00 52.55 53.94 2omj s ASP 50 Cb -0.01 -1.98 -0.06 0.00 -0.34 0.00 0.00 42.92 40.53 2omj s ASP 50 CO 0.01 -0.00 0.46 -0.60 0.68 0.00 0.00 175.17 175.73 2omj s ARG 51 N -3.23 3.93 -0.30 2.11 3.52 -0.80 -0.15 118.95 124.03 2omj s ARG 51 Ca 0.37 0.42 -0.08 0.00 -0.13 0.00 0.00 55.73 56.31 2omj s ARG 51 Cb -0.11 -3.10 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 2omj s ARG 51 CO 0.29 0.60 0.10 0.42 -0.81 0.00 0.00 175.30 175.90 2omj s ILE 52 N -1.26 4.20 -0.10 4.11 1.01 0.13 0.58 121.20 129.87 2omj s ILE 52 Ca 0.30 -0.57 -0.25 0.00 0.00 0.00 0.00 60.65 60.13 2omj s ILE 52 Cb -0.16 -3.14 -0.28 0.00 0.01 0.00 0.00 42.46 38.88 2omj s ILE 52 CO 0.17 0.09 0.82 0.40 0.00 0.00 0.00 174.94 176.41 2omj h ILE 53 N 5.77 1.64 -3.58 2.92 5.03 -0.04 -3.42 117.51 125.83 2omj h ILE 53 Ca -0.32 -2.44 -0.18 0.00 -0.12 0.00 0.00 64.86 61.80 2omj h ILE 53 Cb 1.14 3.28 -0.24 0.00 -3.03 0.00 0.00 36.82 37.96 2omj h ILE 53 CO 0.61 0.66 -0.59 -1.59 -0.68 0.00 0.00 178.15 176.56 2omj s LYS 54 N -2.33 0.26 -0.23 2.37 -2.85 -0.97 -4.55 119.74 111.44 2omj s LYS 54 Ca -0.17 -0.14 0.02 0.00 -1.00 0.00 0.00 55.97 54.68 2omj s LYS 54 Cb -0.01 0.11 0.05 0.00 -2.06 0.00 0.00 37.83 35.92 2omj s LYS 54 CO 0.76 -0.05 -0.11 0.14 0.10 0.00 0.00 175.35 176.19 2omj s VAL 55 N -0.62 1.93 -1.79 1.79 -7.23 -0.87 0.10 120.40 113.72 2omj s VAL 55 Ca -0.07 -1.36 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 2omj s VAL 55 Cb -0.04 -2.03 0.00 0.00 0.56 0.00 0.00 36.38 34.86 2omj s VAL 55 CO 0.00 0.05 0.00 0.59 -0.31 0.00 0.00 175.10 175.44 2omj n ASN 56 N 4.55 -5.92 0.00 4.85 4.13 0.28 -1.39 115.26 121.76 2omj n ASN 56 Ca -0.14 -0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.10 2omj n ASN 56 Cb 0.44 -4.93 0.00 0.00 -1.54 0.00 0.00 39.78 33.76 2omj n ASN 56 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2omj n GLY 57 N -1.02 3.16 3.57 7.41 0.00 -1.26 -5.00 105.19 112.06 2omj n GLY 57 Ca -0.25 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.92 3.64 -0.22 2.61 2.01 -0.48 -4.70 115.64 115.57 2omj s THR 58 Ca 0.00 -0.80 0.18 0.00 0.31 0.00 0.00 61.69 61.38 2omj s THR 58 Cb 0.00 -4.51 0.08 0.00 0.01 0.00 0.00 72.50 68.08 2omj s THR 58 CO 0.00 -1.25 1.31 0.17 -0.69 0.00 0.00 174.62 174.15 2omj h LEU 59 N 16.36 0.00 -9.75 4.42 -0.00 -1.86 -2.30 115.31 122.18 2omj h LEU 59 Ca 0.20 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.50 2omj h LEU 59 Cb 0.97 0.00 0.16 0.00 -0.00 0.00 0.00 40.66 41.79 2omj h LEU 59 CO 1.28 0.34 0.06 1.33 -0.00 0.00 0.00 178.44 181.45 2omj n VAL 60 N -3.06 3.26 -3.86 0.15 0.24 -1.26 -4.73 118.33 109.08 2omj n VAL 60 Ca -0.00 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.34 61.50 2omj n VAL 60 Cb 0.69 -1.09 -0.15 0.00 -1.47 0.00 0.00 33.84 31.82 2omj n VAL 60 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2omj s THR 61 N -1.50 1.46 -0.09 3.34 -1.32 -1.26 -4.88 115.64 111.38 2omj s THR 61 Ca 0.72 -1.72 0.04 0.00 -1.21 0.00 0.00 61.69 59.52 2omj s THR 61 Cb -0.44 -2.05 0.11 0.00 -1.51 0.00 0.00 72.50 68.61 2omj s THR 61 CO 0.50 -0.58 0.77 1.57 -2.21 0.00 0.00 174.62 174.67 2omj n HIS 62 N 4.61 -0.58 -3.96 9.09 -0.00 -1.26 -5.11 115.22 118.01 2omj n HIS 62 Ca -0.01 -0.50 0.00 0.00 0.46 0.00 0.00 57.72 57.67 2omj n HIS 62 Cb 0.42 0.80 0.00 0.00 -0.12 0.00 0.00 29.99 31.10 2omj n HIS 62 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2omj n SER 63 N -0.44 0.60 -2.87 0.26 7.64 -1.26 -5.17 113.62 112.38 2omj n SER 63 Ca -0.06 -0.96 -0.11 0.00 1.01 0.00 0.00 58.87 58.75 2omj n SER 63 Cb 0.59 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.77 2omj n SER 63 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2omj n ASN 64 N -2.31 2.45 -0.23 6.43 2.85 -1.26 -4.46 115.26 118.72 2omj n ASN 64 Ca 0.00 -1.73 0.00 0.00 -0.11 0.00 0.00 54.58 52.75 2omj n ASN 64 Cb 0.00 0.12 0.23 0.00 1.24 0.00 0.00 39.78 41.37 2omj n ASN 64 CO 0.00 0.00 0.00 -0.74 -2.11 0.00 0.00 177.26 174.41 2omj h HIS 65 N 1.09 0.98 -0.76 1.20 6.17 -1.74 -2.25 115.15 119.83 2omj h HIS 65 Ca -0.14 0.02 0.09 0.00 0.71 0.00 0.00 60.37 61.05 2omj h HIS 65 Cb 0.42 -0.33 -0.07 0.00 2.52 0.00 0.00 27.41 29.95 2omj h HIS 65 CO 0.00 0.62 0.42 1.25 0.71 0.00 0.00 177.93 180.93 2omj h LEU 66 N 1.05 0.59 -0.50 0.26 7.12 -1.96 0.36 115.31 122.23 2omj h LEU 66 Ca 0.28 0.05 -0.02 0.00 0.13 0.00 0.00 57.88 58.32 2omj h LEU 66 Cb -0.11 -0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 39.93 2omj h LEU 66 CO -0.06 0.34 0.23 -0.08 -0.13 0.00 0.00 178.44 178.74 2omj h GLU 67 N 0.71 0.72 -0.26 1.25 4.57 -1.80 0.35 114.58 120.12 2omj h GLU 67 Ca 0.36 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.41 2omj h GLU 67 Cb 0.33 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 2omj h GLU 67 CO -0.24 0.62 0.08 0.28 -1.18 0.00 0.00 179.01 178.57 2omj h VAL 68 N 0.66 1.20 -0.53 0.32 2.07 -1.07 0.37 116.25 119.27 2omj h VAL 68 Ca 0.17 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2omj h VAL 68 Cb 0.14 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 2omj h VAL 68 CO -0.02 0.21 0.32 0.58 0.02 0.00 0.00 177.57 178.68 2omj h VAL 69 N 0.26 1.16 -0.54 2.57 2.07 -0.10 0.31 116.25 121.99 2omj h VAL 69 Ca 0.08 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 2omj h VAL 69 Cb 0.24 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2omj h VAL 69 CO -0.00 0.17 -0.00 0.11 0.02 0.00 0.00 177.57 177.86 2omj h LYS 70 N 0.71 0.92 -0.16 1.57 1.57 -0.10 0.30 116.57 121.39 2omj h LYS 70 Ca 0.19 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2omj h LYS 70 Cb -0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2omj h LYS 70 CO -0.04 0.92 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.68 2omj h LEU 71 N 0.85 0.29 -0.74 2.94 3.38 0.32 0.19 115.31 122.55 2omj h LEU 71 Ca 0.16 -0.33 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 2omj h LEU 71 Cb 0.51 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2omj h LEU 71 CO 0.02 0.54 -0.33 -0.29 0.09 0.00 0.00 178.44 178.48 2omj h ILE 72 N 0.02 1.29 0.00 1.22 6.09 -0.26 -2.87 117.51 123.00 2omj h ILE 72 Ca 0.04 -1.45 -0.13 0.00 -1.37 0.00 0.00 64.86 61.96 2omj h ILE 72 Cb 0.40 1.43 -0.02 0.00 0.47 0.00 0.00 36.82 39.11 2omj h ILE 72 CO 0.01 0.46 -0.62 0.11 -3.07 0.00 0.00 178.15 175.05 2omj h LYS 73 N 0.50 0.00 -5.26 2.19 1.79 -0.31 -3.40 116.57 112.08 2omj h LYS 73 Ca 0.06 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.38 2omj h LYS 73 Cb 0.81 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.44 2omj h LYS 73 CO 0.07 0.62 0.48 -1.12 -1.08 0.00 0.00 179.45 178.41 2omj s SER 74 N -6.76 4.09 0.00 0.86 0.01 0.67 -4.61 113.70 107.96 2omj s SER 74 Ca -0.01 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.00 2omj s SER 74 Cb 0.12 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2omj s SER 74 CO 0.76 -4.07 0.00 0.61 0.41 0.00 0.00 173.24 170.94 2omj n GLY 75 N 6.01 2.97 0.24 3.44 0.00 -1.26 -4.88 105.19 111.70 2omj n GLY 75 Ca 0.43 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.51 2omj n GLY 75 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2omj h SER 76 N 0.00 0.81 -3.16 1.61 0.87 -1.88 -3.44 113.55 108.35 2omj h SER 76 Ca 0.00 -0.38 -0.64 0.00 -1.23 0.00 0.00 61.79 59.54 2omj h SER 76 Cb 0.00 -0.22 -0.09 0.00 -0.44 0.00 0.00 62.40 61.65 2omj h SER 76 CO 0.00 1.01 -0.60 -0.31 -0.53 0.00 0.00 176.83 176.40 2omj s TYR 77 N -4.72 3.18 -0.11 2.24 1.51 -1.26 -0.28 117.35 117.90 2omj s TYR 77 Ca -0.12 0.07 -0.04 0.00 -1.01 0.00 0.00 57.07 55.96 2omj s TYR 77 Cb 0.10 -1.61 0.06 0.00 -0.11 0.00 0.00 41.96 40.40 2omj s TYR 77 CO 0.83 0.52 0.23 0.54 -1.11 0.00 0.00 175.55 176.56 2omj s VAL 78 N -1.40 -0.31 -0.38 0.71 0.11 -0.97 -4.98 120.40 113.18 2omj s VAL 78 Ca 0.29 0.27 -0.11 0.00 -2.93 0.00 0.00 61.98 59.51 2omj s VAL 78 Cb -0.12 -0.39 0.03 0.00 -1.53 0.00 0.00 36.38 34.37 2omj s VAL 78 CO 0.22 0.11 0.22 0.00 -3.33 0.00 0.00 175.10 172.32 2omj s ALA 79 N 2.16 3.29 -0.02 1.54 0.00 -1.26 -1.81 121.76 125.66 2omj s ALA 79 Ca -0.00 -1.77 0.06 0.00 0.00 0.00 0.00 51.96 50.24 2omj s ALA 79 Cb -0.12 -2.62 -0.01 0.00 0.00 0.00 0.00 23.12 20.37 2omj s ALA 79 CO -0.08 -1.43 -0.19 -0.48 0.00 0.00 0.00 175.76 173.58 2omj s LEU 80 N 1.54 2.04 -0.19 0.00 2.34 -1.17 0.10 118.68 123.34 2omj s LEU 80 Ca 0.02 -0.35 -0.20 0.00 0.06 0.00 0.00 54.13 53.66 2omj s LEU 80 Cb -0.20 -1.00 -0.03 0.00 -0.56 0.00 0.00 46.19 44.40 2omj s LEU 80 CO 0.06 0.24 0.58 -0.89 -1.06 0.00 0.00 176.35 175.28 2omj s THR 81 N -0.45 5.07 0.44 5.48 2.01 0.28 -2.26 115.64 126.21 2omj s THR 81 Ca 0.07 1.08 0.05 0.00 0.31 0.00 0.00 61.69 63.21 2omj s THR 81 Cb -0.08 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 2omj s THR 81 CO -0.01 0.15 0.04 0.68 -0.69 0.00 0.00 174.62 174.80 2omj s VAL 82 N 1.71 1.80 -0.04 3.82 -7.23 -1.19 0.66 120.40 119.92 2omj s VAL 82 Ca 0.27 -1.95 -0.03 0.00 -1.81 0.00 0.00 61.98 58.46 2omj s VAL 82 Cb -0.16 -2.75 0.02 0.00 0.56 0.00 0.00 36.38 34.06 2omj s VAL 82 CO 0.10 0.00 0.11 -1.10 -0.31 0.00 0.00 175.10 173.90 2omj s GLN 83 N -3.80 0.10 -0.43 4.82 -0.21 0.19 -3.35 119.66 116.99 2omj s GLN 83 Ca 0.28 0.21 0.02 0.00 0.02 0.00 0.00 55.36 55.89 2omj s GLN 83 Cb 0.07 -0.03 0.51 0.00 1.00 0.00 0.00 33.01 34.55 2omj s GLN 83 CO 0.15 -0.07 1.85 0.41 -2.12 0.00 0.00 175.29 175.50 2omj n GLY 84 N 3.45 4.45 3.47 3.09 0.00 -1.23 -1.91 105.19 116.51 2omj n GLY 84 Ca -0.18 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 2omj n GLY 84 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2omj s ARG 85 N -2.89 3.08 -0.10 1.61 3.52 -0.84 -3.47 118.95 119.86 2omj s ARG 85 Ca 0.50 -0.83 -0.33 0.00 -0.13 0.00 0.00 55.73 54.93 2omj s ARG 85 Cb 0.41 -4.00 -0.11 0.00 -1.56 0.00 0.00 34.95 29.69 2omj s ARG 85 CO 0.06 -0.91 1.93 -2.30 -0.81 0.00 0.00 175.30 173.27 2omj n PRO 86 N 5.63 2.18 -0.10 5.12 -0.02 -1.26 -4.88 135.00 141.66 2omj n PRO 86 Ca -0.08 0.79 -0.06 0.00 -2.02 0.00 0.00 63.50 62.13 2omj n PRO 86 Cb 0.47 -2.71 0.01 0.00 -0.02 0.00 0.00 33.50 31.25 2omj n PRO 86 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2omj h PRO 87 N 9.87 -0.06 0.00 0.52 0.11 -1.98 -3.45 132.00 137.00 2omj h PRO 87 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2omj h PRO 87 Cb 1.27 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2omj h PRO 87 CO 0.95 -0.04 0.00 0.41 -0.21 0.00 0.00 178.00 179.11 2omj n GLY 88 N -1.32 2.21 0.71 -0.55 0.00 -1.26 -5.32 105.19 99.65 2omj n GLY 88 Ca 0.01 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.09 2omj n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06