#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2omj s SER 2 N 0.00 4.38 0.52 1.61 0.15 -1.26 -5.05 113.70 114.05 2omj s SER 2 Ca 0.00 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 55.94 2omj s SER 2 Cb 0.00 -0.75 0.00 0.00 -1.71 0.00 0.00 66.02 63.56 2omj s SER 2 CO 0.00 0.01 0.00 1.41 1.20 0.00 0.00 173.24 175.86 2omj n HIS 3 N -0.85 -3.82 0.00 3.44 -0.00 -1.26 -4.75 115.22 107.98 2omj n HIS 3 Ca -0.06 2.03 0.00 0.00 -0.00 0.00 0.00 57.72 59.69 2omj n HIS 3 Cb 0.59 -3.47 0.00 0.00 -0.00 0.00 0.00 29.99 27.11 2omj n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2omj n MET 4 N -4.34 0.00 -0.17 -0.41 2.81 -1.26 -4.70 117.12 109.05 2omj n MET 4 Ca -0.05 0.07 -0.08 0.00 -1.81 0.00 0.00 57.70 55.82 2omj n MET 4 Cb 0.68 -0.38 0.01 0.00 -0.71 0.00 0.00 33.22 32.82 2omj n MET 4 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 2omj h GLY 5 N 0.00 0.80 -3.18 3.03 0.00 -2.02 -3.46 103.07 98.24 2omj h GLY 5 Ca 0.00 -0.45 -0.41 0.00 0.00 0.00 0.00 47.33 46.47 2omj h GLY 5 CO 0.00 0.42 -0.54 -0.10 0.00 0.00 0.00 176.54 176.31 2omj n LEU 6 N -4.55 -2.06 -4.63 3.11 7.94 -1.26 -4.97 117.00 110.58 2omj n LEU 6 Ca 0.02 -0.06 -0.34 0.00 -1.11 0.00 0.00 56.01 54.51 2omj n LEU 6 Cb 0.16 -2.94 -0.10 0.00 0.53 0.00 0.00 43.42 41.07 2omj n LEU 6 CO 0.38 -0.15 -0.26 -0.69 -1.11 0.00 0.00 177.39 175.56 2omj s VAL 7 N -3.06 4.70 0.06 1.96 1.01 -1.26 -5.10 120.40 118.71 2omj s VAL 7 Ca 0.04 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.03 2omj s VAL 7 Cb -0.02 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 2omj s VAL 7 CO 0.05 0.48 -0.19 -1.10 0.00 0.00 0.00 175.10 174.34 2omj s GLN 8 N 0.27 1.23 -0.06 2.72 -0.21 -1.26 -3.14 119.66 119.20 2omj s GLN 8 Ca 0.03 -0.96 0.02 0.00 0.02 0.00 0.00 55.36 54.47 2omj s GLN 8 Cb -0.12 -1.36 0.01 0.00 1.00 0.00 0.00 33.01 32.54 2omj s GLN 8 CO 0.01 0.34 -0.12 -0.98 -2.12 0.00 0.00 175.29 172.41 2omj s ARG 9 N -1.36 1.63 -0.01 2.91 1.70 -0.92 -5.02 118.95 117.88 2omj s ARG 9 Ca 0.06 -0.40 -0.29 0.00 -0.47 0.00 0.00 55.73 54.63 2omj s ARG 9 Cb -0.09 -1.36 -0.03 0.00 -0.57 0.00 0.00 34.95 32.90 2omj s ARG 9 CO 0.02 0.03 0.96 0.00 -1.08 0.00 0.00 175.30 175.23 2omj s VAL 11 N 1.05 -0.16 -0.10 0.00 -7.23 -1.23 -5.03 120.40 107.69 2omj s VAL 11 Ca 0.51 -0.43 -0.26 0.00 -1.81 0.00 0.00 61.98 59.99 2omj s VAL 11 Cb -0.21 -0.80 -0.02 0.00 0.56 0.00 0.00 36.38 35.91 2omj s VAL 11 CO 0.27 -0.47 0.84 -0.63 -0.31 0.00 0.00 175.10 174.80 2omj s ILE 12 N 2.18 4.92 -0.08 -0.62 1.01 -1.26 -2.55 121.20 124.80 2omj s ILE 12 Ca 0.06 1.70 -0.09 0.00 0.00 0.00 0.00 60.65 62.32 2omj s ILE 12 Cb -0.16 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 2omj s ILE 12 CO -0.23 0.12 0.22 -0.63 0.00 0.00 0.00 174.94 174.41 2omj s ILE 13 N 1.52 5.36 -0.16 2.92 -1.09 -0.99 -4.74 121.20 124.04 2omj s ILE 13 Ca 0.42 0.37 -0.02 0.00 -2.23 0.00 0.00 60.65 59.19 2omj s ILE 13 Cb -0.18 -3.50 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 2omj s ILE 13 CO 0.18 0.59 -0.09 -1.10 -1.23 0.00 0.00 174.94 173.28 2omj s GLN 14 N -1.10 3.45 0.29 2.79 1.11 -1.26 -2.28 119.66 122.65 2omj s GLN 14 Ca 0.18 -0.63 -0.29 0.00 0.01 0.00 0.00 55.36 54.63 2omj s GLN 14 Cb -0.13 -2.78 -0.09 0.00 -1.01 0.00 0.00 33.01 28.99 2omj s GLN 14 CO 0.07 0.12 1.07 0.21 0.01 0.00 0.00 175.29 176.77 2omj s LYS 15 N 0.62 4.61 0.09 2.91 2.20 -0.07 -4.82 119.74 125.29 2omj s LYS 15 Ca -0.05 1.72 0.00 0.00 -0.36 0.00 0.00 55.97 57.28 2omj s LYS 15 Cb -0.15 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 2omj s LYS 15 CO 0.03 0.22 0.03 -0.25 -0.36 0.00 0.00 175.35 175.02 2omj n ASP 16 N 1.07 1.80 0.15 1.43 8.00 -1.26 -4.94 116.55 122.80 2omj n ASP 16 Ca -0.00 -1.36 0.06 0.00 0.71 0.00 0.00 54.79 54.20 2omj n ASP 16 Cb 0.46 0.03 0.55 0.00 -0.02 0.00 0.00 41.12 42.14 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 0.17 0.19 0.23 -2.24 3.32 -2.05 -2.71 116.42 113.32 2omj h ASP 17 Ca -0.07 -0.01 -0.35 0.00 0.02 0.00 0.00 57.03 56.63 2omj h ASP 17 Cb 0.22 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.70 2omj h ASP 17 CO 0.11 0.14 -1.92 0.59 -1.72 0.00 0.00 179.24 176.44 2omj n ASN 18 N -4.51 1.77 0.00 6.45 3.02 -1.26 -5.10 115.26 115.63 2omj n ASN 18 Ca -0.01 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 2omj n ASN 18 Cb 0.08 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.62 2omj n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2omj n GLY 19 N 1.87 1.20 3.68 7.41 0.00 -1.02 -5.02 105.19 113.31 2omj n GLY 19 Ca -0.28 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.05 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 -1.21 1.89 -0.06 1.61 0.08 -1.26 -4.40 117.98 114.63 2omj s PHE 20 Ca 0.00 -0.17 -0.23 0.00 0.12 0.00 0.00 56.93 56.65 2omj s PHE 20 Cb 0.00 -4.21 -0.28 0.00 -0.57 0.00 0.00 43.02 37.96 2omj s PHE 20 CO 0.00 -5.13 0.93 0.78 -0.10 0.00 0.00 175.22 171.69 2omj h GLY 21 N 9.16 0.28 -3.74 4.36 0.00 -1.95 -3.46 103.07 107.73 2omj h GLY 21 Ca -0.47 -0.63 -0.55 0.00 0.00 0.00 0.00 47.33 45.67 2omj h GLY 21 CO 0.95 0.55 0.61 1.47 0.00 0.00 0.00 176.54 180.12 2omj n LEU 22 N -4.28 4.44 -4.25 3.11 -0.00 -1.26 -4.50 117.00 110.26 2omj n LEU 22 Ca -0.12 1.15 -0.25 0.00 -0.00 0.00 0.00 56.01 56.79 2omj n LEU 22 Cb 0.69 -1.55 -0.14 0.00 -0.00 0.00 0.00 43.42 42.42 2omj n LEU 22 CO 0.44 -0.32 -0.52 -0.89 -0.00 0.00 0.00 177.39 176.10 2omj s THR 23 N -1.17 1.64 0.21 1.47 2.01 -0.26 -4.94 115.64 114.59 2omj s THR 23 Ca 0.59 -1.18 0.10 0.00 0.31 0.00 0.00 61.69 61.51 2omj s THR 23 Cb -0.49 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 2omj s THR 23 CO 0.60 0.21 -0.20 0.68 -0.69 0.00 0.00 174.62 175.21 2omj s VAL 24 N -0.79 2.17 -0.14 3.82 -7.23 -1.26 -1.05 120.40 115.91 2omj s VAL 24 Ca 0.07 -2.10 -0.09 0.00 -1.81 0.00 0.00 61.98 58.05 2omj s VAL 24 Cb -0.09 -2.07 0.05 0.00 0.56 0.00 0.00 36.38 34.83 2omj s VAL 24 CO 0.02 -0.29 0.34 -0.44 -0.31 0.00 0.00 175.10 174.42 2omj s SER 25 N -2.92 -0.40 0.00 4.85 0.01 -0.72 -4.87 113.70 109.65 2omj s SER 25 Ca 0.22 0.73 0.00 0.00 1.31 0.00 0.00 55.95 58.21 2omj s SER 25 Cb -0.06 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2omj s SER 25 CO 0.10 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 174.19 2omj n GLY 26 N 3.96 1.89 0.00 3.44 0.00 -1.26 -3.89 105.19 109.33 2omj n GLY 26 Ca -0.22 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.09 1.61 9.92 -1.26 -4.47 116.55 122.44 2omj n ASP 27 Ca 0.00 0.55 -0.05 0.00 -0.53 0.00 0.00 54.79 54.76 2omj n ASP 27 Cb 0.00 -0.05 -0.02 0.00 -0.64 0.00 0.00 41.12 40.40 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 -0.27 -1.43 -2.24 4.21 -1.95 -3.34 115.58 110.56 2omj h ASN 28 Ca 0.00 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.52 2omj h ASN 28 Cb 0.00 0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.27 2omj h ASN 28 CO 0.00 0.15 0.00 -0.81 -1.29 0.00 0.00 177.43 175.48 2omj n PRO 29 N -4.81 -0.18 -3.36 0.81 -0.04 -1.26 -4.74 135.00 121.41 2omj n PRO 29 Ca -0.04 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.35 2omj n PRO 29 Cb 0.13 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.52 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 -0.81 -0.68 0.00 0.52 1.01 -1.26 -4.45 120.40 114.73 2omj s VAL 30 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.97 2omj s VAL 30 Cb 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 2omj s VAL 30 CO 0.00 -0.08 -0.06 0.72 0.00 0.00 0.00 175.10 175.68 2omj s PHE 31 N 2.61 0.53 -0.09 5.22 -0.12 -1.25 0.76 117.98 125.64 2omj s PHE 31 Ca 0.12 -0.17 -0.30 0.00 -0.05 0.00 0.00 56.93 56.54 2omj s PHE 31 Cb -0.15 -0.34 -0.02 0.00 -0.63 0.00 0.00 43.02 41.88 2omj s PHE 31 CO -0.16 -0.02 1.13 0.08 -0.05 0.00 0.00 175.22 176.19 2omj s VAL 32 N -0.35 4.46 -0.20 -2.49 1.01 0.14 -1.75 120.40 121.22 2omj s VAL 32 Ca 0.00 1.77 -0.07 0.00 0.00 0.00 0.00 61.98 63.68 2omj s VAL 32 Cb -0.04 -4.14 -0.21 0.00 0.00 0.00 0.00 36.38 32.00 2omj s VAL 32 CO -0.00 -0.02 0.07 0.00 0.00 0.00 0.00 175.10 175.15 2omj n GLN 33 N 5.27 0.68 -4.36 2.72 10.64 -0.22 0.11 117.38 132.22 2omj n GLN 33 Ca 0.10 0.27 -0.25 0.00 -1.83 0.00 0.00 57.00 55.30 2omj n GLN 33 Cb 0.47 -1.63 -0.12 0.00 -0.86 0.00 0.00 30.24 28.10 2omj n GLN 33 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 2omj s SER 34 N -6.90 2.97 0.01 2.61 1.04 -0.88 -3.88 113.70 108.66 2omj s SER 34 Ca -0.29 -0.82 0.02 0.00 0.48 0.00 0.00 55.95 55.34 2omj s SER 34 Cb 0.08 -0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.00 2omj s SER 34 CO 0.66 0.06 -0.05 0.68 0.98 0.00 0.00 173.24 175.56 2omj s VAL 35 N -1.63 0.40 -0.62 5.02 -7.23 -1.26 -1.11 120.40 113.96 2omj s VAL 35 Ca 0.15 -0.42 -0.26 0.00 -1.81 0.00 0.00 61.98 59.64 2omj s VAL 35 Cb -0.08 -0.38 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 2omj s VAL 35 CO 0.07 -0.03 1.93 -0.75 -0.31 0.00 0.00 175.10 176.01 2omj s LYS 36 N -0.49 2.55 0.11 4.82 2.47 -1.26 -4.80 119.74 123.14 2omj s LYS 36 Ca -0.01 0.63 -0.31 0.00 -1.56 0.00 0.00 55.97 54.71 2omj s LYS 36 Cb -0.04 -4.46 -0.08 0.00 -1.46 0.00 0.00 37.83 31.79 2omj s LYS 36 CO -0.00 -2.85 1.40 -1.83 0.16 0.00 0.00 175.35 172.22 2omj s GLU 37 N 7.19 4.32 -1.68 4.03 -1.05 -1.26 -1.77 118.70 128.47 2omj s GLU 37 Ca 0.71 2.08 -0.02 0.00 -0.15 0.00 0.00 54.97 57.58 2omj s GLU 37 Cb -0.13 -3.26 0.00 0.00 -0.44 0.00 0.00 34.13 30.31 2omj s GLU 37 CO 0.20 -0.45 0.32 -3.47 0.95 0.00 0.00 175.26 172.81 2omj n ASP 38 N 4.02 -6.07 0.00 0.83 -0.08 -1.26 -4.93 116.55 109.06 2omj n ASP 38 Ca 0.12 -0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 2omj n ASP 38 Cb 0.42 -4.97 0.00 0.00 2.34 0.00 0.00 41.12 38.91 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 -1.29 5.46 0.35 0.27 0.00 -1.06 -4.96 105.19 103.96 2omj n GLY 39 Ca -0.18 -1.38 -0.01 0.00 0.00 0.00 0.00 46.02 44.44 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 1.00 1.32 -0.15 4.61 0.00 -1.91 -0.87 119.26 123.25 2omj h ALA 40 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2omj h ALA 40 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2omj h ALA 40 CO 0.00 0.58 -0.02 0.00 0.00 0.00 0.00 179.25 179.80 2omj h ALA 41 N 1.41 0.21 -0.54 0.00 0.00 -1.93 -0.42 119.26 117.98 2omj h ALA 41 Ca 0.29 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2omj h ALA 41 Cb -0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2omj h ALA 41 CO -0.05 -0.06 0.22 1.98 0.00 0.00 0.00 179.25 181.34 2omj h MET 42 N 0.00 0.78 -0.01 0.00 -1.53 -1.09 -1.42 114.93 111.66 2omj h MET 42 Ca 0.04 -0.11 -0.16 0.00 -3.44 0.00 0.00 59.70 56.03 2omj h MET 42 Cb 0.43 -0.14 -0.02 0.00 -0.55 0.00 0.00 31.60 31.32 2omj h MET 42 CO 0.01 0.64 -0.72 -0.09 0.14 0.00 0.00 176.91 176.89 2omj h ARG 43 N 0.77 0.08 0.00 0.39 2.43 -1.06 -3.01 114.38 113.99 2omj h ARG 43 Ca 0.19 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2omj h ARG 43 Cb 0.14 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2omj h ARG 43 CO -0.02 0.77 0.00 0.00 -1.51 0.00 0.00 179.97 179.21 2omj h ALA 44 N 1.21 1.00 -1.57 2.80 0.00 -0.43 -3.48 119.26 118.80 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 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 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 1.04 0.54 3.81 0.00 0.00 -0.60 -4.53 105.19 105.45 2omj n GLY 45 Ca 0.05 -0.36 -0.32 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.49 4.85 0.12 1.61 1.01 -0.80 -4.92 120.40 119.78 2omj s VAL 46 Ca 0.00 -0.46 0.10 0.00 0.00 0.00 0.00 61.98 61.62 2omj s VAL 46 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 2omj s VAL 46 CO 0.00 0.26 -0.26 -1.10 0.00 0.00 0.00 175.10 174.01 2omj s GLN 47 N -2.03 1.51 0.03 2.72 1.11 -1.26 -4.77 119.66 116.97 2omj s GLN 47 Ca 0.27 -1.29 -0.30 0.00 0.01 0.00 0.00 55.36 54.04 2omj s GLN 47 Cb -0.12 -1.94 -0.05 0.00 -1.01 0.00 0.00 33.01 29.88 2omj s GLN 47 CO 0.18 0.46 1.26 0.99 0.01 0.00 0.00 175.29 178.20 2omj s THR 48 N -1.04 3.93 -0.16 -0.19 2.01 -1.26 -3.21 115.64 115.72 2omj s THR 48 Ca 0.14 1.35 -0.00 0.00 0.31 0.00 0.00 61.69 63.49 2omj s THR 48 Cb -0.10 -3.87 0.00 0.00 0.01 0.00 0.00 72.50 68.54 2omj s THR 48 CO 0.06 0.06 0.06 0.61 -0.69 0.00 0.00 174.62 174.72 2omj n GLY 49 N 3.36 0.54 3.88 4.40 0.00 0.30 -5.00 105.19 112.67 2omj n GLY 49 Ca 0.10 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.97 6.61 -0.01 1.61 2.15 -0.86 -4.83 116.67 118.38 2omj s ASP 50 Ca 0.03 0.91 -0.18 0.00 0.43 0.00 0.00 52.55 53.74 2omj s ASP 50 Cb -0.01 -2.22 -0.06 0.00 -0.30 0.00 0.00 42.92 40.33 2omj s ASP 50 CO 0.04 -0.09 0.52 -0.13 -0.17 0.00 0.00 175.17 175.33 2omj s ARG 51 N -2.91 4.19 -0.27 4.34 0.52 -0.96 0.25 118.95 124.11 2omj s ARG 51 Ca 0.47 0.60 -0.12 0.00 -0.52 0.00 0.00 55.73 56.15 2omj s ARG 51 Cb -0.11 -3.30 -0.05 0.00 0.52 0.00 0.00 34.95 32.01 2omj s ARG 51 CO 0.22 0.47 0.26 0.42 0.02 0.00 0.00 175.30 176.69 2omj s ILE 52 N -0.48 5.27 -0.19 1.52 -1.09 0.23 0.77 121.20 127.23 2omj s ILE 52 Ca 0.28 0.33 -0.22 0.00 -2.23 0.00 0.00 60.65 58.81 2omj s ILE 52 Cb -0.18 -3.59 -0.21 0.00 -1.58 0.00 0.00 42.46 36.90 2omj s ILE 52 CO 0.15 0.24 0.35 0.40 -1.23 0.00 0.00 174.94 174.85 2omj h ILE 53 N 5.30 1.08 -3.02 2.92 2.04 0.47 -3.41 117.51 122.89 2omj h ILE 53 Ca -0.34 -2.23 -0.01 0.00 1.00 0.00 0.00 64.86 63.28 2omj h ILE 53 Cb 1.18 2.48 -0.11 0.00 -0.74 0.00 0.00 36.82 39.63 2omj h ILE 53 CO 0.61 0.41 0.20 -1.59 0.00 0.00 0.00 178.15 177.78 2omj s LYS 54 N -2.35 1.35 -0.25 2.37 -2.85 -0.96 -4.52 119.74 112.53 2omj s LYS 54 Ca -0.26 -0.56 0.03 0.00 -1.00 0.00 0.00 55.97 54.17 2omj s LYS 54 Cb 0.04 0.59 0.05 0.00 -2.06 0.00 0.00 37.83 36.45 2omj s LYS 54 CO 0.63 -0.60 -0.12 0.14 0.10 0.00 0.00 175.35 175.51 2omj s VAL 55 N -3.78 2.12 -1.34 1.79 -7.23 -0.42 -0.77 120.40 110.76 2omj s VAL 55 Ca 0.03 -1.53 -0.08 0.00 -1.81 0.00 0.00 61.98 58.59 2omj s VAL 55 Cb -0.02 -2.20 0.01 0.00 0.56 0.00 0.00 36.38 34.73 2omj s VAL 55 CO -0.10 0.04 1.16 -3.20 -0.31 0.00 0.00 175.10 172.69 2omj n ASN 56 N 4.47 -5.81 -1.25 4.85 5.15 0.13 -1.79 115.26 121.01 2omj n ASN 56 Ca -0.15 -0.55 -0.12 0.00 -0.60 0.00 0.00 54.58 53.16 2omj n ASN 56 Cb 0.43 -5.04 -0.02 0.00 -0.53 0.00 0.00 39.78 34.62 2omj n ASN 56 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2omj n GLY 57 N -1.90 0.21 2.77 8.20 0.00 -1.26 -4.97 105.19 108.24 2omj n GLY 57 Ca -0.03 -0.41 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.56 0.52 0.61 2.61 2.01 -0.74 -5.13 115.64 112.97 2omj s THR 58 Ca 0.00 -0.26 -0.19 0.00 0.31 0.00 0.00 61.69 61.55 2omj s THR 58 Cb 0.00 -0.83 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 2omj s THR 58 CO 0.00 0.04 1.31 -0.76 -0.69 0.00 0.00 174.62 174.52 2omj s LEU 59 N 1.89 3.66 -0.34 4.42 1.02 -1.26 -1.31 118.68 126.76 2omj s LEU 59 Ca 0.02 2.65 -0.08 0.00 0.02 0.00 0.00 54.13 56.74 2omj s LEU 59 Cb -0.15 -4.52 0.02 0.00 0.02 0.00 0.00 46.19 41.57 2omj s LEU 59 CO -0.07 -1.86 0.13 -0.69 0.02 0.00 0.00 176.35 173.89 2omj s VAL 60 N -1.38 4.13 0.54 -1.59 1.01 -1.26 -4.88 120.40 116.96 2omj s VAL 60 Ca 0.79 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.92 2omj s VAL 60 Cb -0.38 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 32.77 2omj s VAL 60 CO 0.42 -0.11 0.21 0.42 0.00 0.00 0.00 175.10 176.04 2omj s THR 61 N 1.49 1.35 0.56 3.92 -4.23 -1.26 -4.95 115.64 112.52 2omj s THR 61 Ca 0.01 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 2omj s THR 61 Cb -0.19 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.57 2omj s THR 61 CO 0.04 0.00 0.00 1.41 -0.54 0.00 0.00 174.62 175.53 2omj n HIS 62 N -1.55 -3.95 -3.28 3.99 8.25 -1.26 -4.78 115.22 112.64 2omj n HIS 62 Ca -0.11 2.15 -0.43 0.00 -0.26 0.00 0.00 57.72 59.07 2omj n HIS 62 Cb 0.66 -3.40 -0.08 0.00 1.12 0.00 0.00 29.99 28.28 2omj n HIS 62 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2omj s SER 63 N -5.66 6.20 -0.30 0.41 0.01 -1.26 -4.77 113.70 108.33 2omj s SER 63 Ca 0.00 -0.76 -0.13 0.00 1.31 0.00 0.00 55.95 56.37 2omj s SER 63 Cb 0.00 -2.24 0.18 0.00 0.21 0.00 0.00 66.02 64.17 2omj s SER 63 CO 0.00 -0.66 1.08 0.21 0.41 0.00 0.00 173.24 174.28 2omj s ASN 64 N 2.07 -0.36 0.29 2.44 2.47 -1.25 -5.01 114.94 115.58 2omj s ASN 64 Ca 0.13 0.10 -0.02 0.00 0.42 0.00 0.00 52.86 53.48 2omj s ASN 64 Cb -0.18 1.25 0.42 0.00 -1.45 0.00 0.00 41.25 41.29 2omj s ASN 64 CO 0.13 -0.07 1.95 -0.74 -3.72 0.00 0.00 177.10 174.66 2omj h HIS 65 N 7.49 1.09 -0.80 0.43 -0.00 -1.89 -2.09 115.15 119.38 2omj h HIS 65 Ca -0.10 0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.38 2omj h HIS 65 Cb 1.17 -0.37 -0.07 0.00 -0.00 0.00 0.00 27.41 28.15 2omj h HIS 65 CO -0.07 0.67 0.45 1.25 -0.00 0.00 0.00 177.93 180.23 2omj h LEU 66 N 1.16 0.65 -0.51 0.26 6.46 -1.98 0.33 115.31 121.68 2omj h LEU 66 Ca 0.33 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 58.11 2omj h LEU 66 Cb -0.09 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 39.74 2omj h LEU 66 CO -0.08 0.38 0.24 -0.33 -0.62 0.00 0.00 178.44 178.03 2omj h GLU 67 N 0.77 0.74 -0.25 1.25 5.08 -1.80 0.38 114.58 120.76 2omj h GLU 67 Ca 0.38 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 2omj h GLU 67 Cb 0.33 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2omj h GLU 67 CO -0.24 0.62 0.08 0.28 -1.00 0.00 0.00 179.01 178.76 2omj h VAL 68 N 0.68 1.19 -0.42 3.13 2.07 -0.99 0.41 116.25 122.32 2omj h VAL 68 Ca 0.18 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 2omj h VAL 68 Cb 0.13 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2omj h VAL 68 CO -0.02 0.20 0.26 0.58 0.02 0.00 0.00 177.57 178.61 2omj h VAL 69 N 0.25 1.13 -0.60 2.57 2.07 -0.15 0.28 116.25 121.79 2omj h VAL 69 Ca 0.08 -0.28 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 2omj h VAL 69 Cb 0.22 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2omj h VAL 69 CO -0.00 0.13 0.12 0.11 0.02 0.00 0.00 177.57 177.94 2omj h LYS 70 N 0.56 0.96 -0.35 1.57 1.57 -0.03 0.33 116.57 121.18 2omj h LYS 70 Ca 0.15 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 2omj h LYS 70 Cb -0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 2omj h LYS 70 CO -0.03 0.87 0.03 -0.07 -0.57 0.00 0.00 179.45 179.68 2omj h LEU 71 N 0.91 0.58 -0.30 2.94 3.38 0.42 0.33 115.31 123.56 2omj h LEU 71 Ca 0.19 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 2omj h LEU 71 Cb 0.37 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2omj h LEU 71 CO 0.01 0.72 -0.20 0.40 0.09 0.00 0.00 178.44 179.45 2omj h ILE 72 N 0.42 1.30 0.00 1.22 2.04 -0.20 -2.82 117.51 119.47 2omj h ILE 72 Ca 0.10 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.63 2omj h ILE 72 Cb 0.41 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 2omj h ILE 72 CO 0.01 0.43 0.00 0.29 0.00 0.00 0.00 178.15 178.88 2omj n LYS 73 N -4.34 0.14 -0.50 2.37 5.02 0.12 -3.63 118.16 117.34 2omj n LYS 73 Ca -0.03 0.26 0.44 0.00 -2.02 0.00 0.00 58.31 56.95 2omj n LYS 73 Cb 0.42 -1.72 0.78 0.00 -0.02 0.00 0.00 35.03 34.49 2omj n LYS 73 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2omj h SER 74 N 0.00 0.01 -5.05 4.39 4.64 -0.07 -3.41 113.55 114.05 2omj h SER 74 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 2omj h SER 74 Cb 0.47 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.41 2omj h SER 74 CO 0.00 -0.00 -0.10 -0.83 -0.87 0.00 0.00 176.83 175.03 2omj s GLY 75 N -3.91 -0.27 0.09 -0.77 0.00 -1.24 -5.07 107.32 96.15 2omj s GLY 75 Ca -0.05 0.15 -0.33 0.00 0.00 0.00 0.00 44.72 44.49 2omj s GLY 75 CO 0.85 -0.11 1.61 1.76 0.00 0.00 0.00 173.10 177.21 2omj h SER 76 N 2.75 -0.99 -3.61 1.64 0.02 -1.87 -3.39 113.55 108.11 2omj h SER 76 Ca -0.32 0.07 -0.70 0.00 -0.84 0.00 0.00 61.79 60.00 2omj h SER 76 Cb 1.22 0.31 -0.21 0.00 0.14 0.00 0.00 62.40 63.87 2omj h SER 76 CO 0.45 -0.56 -0.47 -0.31 -1.14 0.00 0.00 176.83 174.81 2omj s TYR 77 N -5.99 3.23 -0.05 3.45 1.51 -1.26 -0.89 117.35 117.35 2omj s TYR 77 Ca -0.17 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.42 2omj s TYR 77 Cb 0.05 -2.51 0.02 0.00 -0.11 0.00 0.00 41.96 39.41 2omj s TYR 77 CO 0.62 -0.49 -0.04 0.08 -1.11 0.00 0.00 175.55 174.61 2omj s VAL 78 N 1.68 0.56 0.40 0.71 1.01 -0.97 -5.00 120.40 118.79 2omj s VAL 78 Ca 0.05 -0.11 -0.25 0.00 0.00 0.00 0.00 61.98 61.66 2omj s VAL 78 Cb -0.18 -0.59 -0.08 0.00 0.00 0.00 0.00 36.38 35.52 2omj s VAL 78 CO 0.10 0.24 1.18 0.00 0.00 0.00 0.00 175.10 176.61 2omj s ALA 79 N 1.05 3.17 -0.35 5.51 0.00 -1.26 -2.33 121.76 127.54 2omj s ALA 79 Ca -0.09 0.98 -0.00 0.00 0.00 0.00 0.00 51.96 52.85 2omj s ALA 79 Cb -0.14 -3.39 0.13 0.00 0.00 0.00 0.00 23.12 19.72 2omj s ALA 79 CO -0.01 -0.54 0.18 -1.17 0.00 0.00 0.00 175.76 174.23 2omj s LEU 80 N -2.46 1.49 -0.39 0.00 2.96 -1.06 0.22 118.68 119.45 2omj s LEU 80 Ca 0.57 -2.03 -0.29 0.00 -0.22 0.00 0.00 54.13 52.16 2omj s LEU 80 Cb -0.31 -0.61 0.00 0.00 0.50 0.00 0.00 46.19 45.77 2omj s LEU 80 CO 0.39 -0.34 1.52 -0.89 -1.32 0.00 0.00 176.35 175.71 2omj s THR 81 N 1.18 3.78 0.46 3.68 2.01 0.05 -3.51 115.64 123.29 2omj s THR 81 Ca 0.15 0.80 0.06 0.00 0.31 0.00 0.00 61.69 63.01 2omj s THR 81 Cb -0.21 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.23 2omj s THR 81 CO -0.10 -0.66 0.25 0.68 -0.69 0.00 0.00 174.62 174.10 2omj s VAL 82 N 5.81 2.06 -0.01 3.82 -7.23 -1.18 0.11 120.40 123.79 2omj s VAL 82 Ca 0.66 -1.63 0.01 0.00 -1.81 0.00 0.00 61.98 59.22 2omj s VAL 82 Cb -0.16 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.09 2omj s VAL 82 CO 0.33 0.00 -0.05 -1.58 -0.31 0.00 0.00 175.10 173.49 2omj s GLN 83 N -4.03 0.45 0.00 4.82 0.74 0.23 -2.17 119.66 119.70 2omj s GLN 83 Ca 0.37 -0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.61 2omj s GLN 83 Cb 0.01 -0.45 0.00 0.00 1.10 0.00 0.00 33.01 33.67 2omj s GLN 83 CO 0.21 0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.44 2omj n GLY 84 N 3.12 1.61 3.41 2.59 0.00 -1.19 -2.28 105.19 112.45 2omj n GLY 84 Ca -0.15 0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2omj n GLY 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2omj s ARG 85 N -0.55 3.28 1.12 1.61 0.52 -1.26 -4.87 118.95 118.80 2omj s ARG 85 Ca 0.00 -0.75 -0.19 0.00 -0.52 0.00 0.00 55.73 54.28 2omj s ARG 85 Cb 0.00 -3.47 0.12 0.00 0.52 0.00 0.00 34.95 32.12 2omj s ARG 85 CO 0.00 -0.41 0.03 -2.30 0.02 0.00 0.00 175.30 172.65 2omj n PRO 86 N 4.94 -1.79 -0.53 3.54 -0.02 -1.26 -4.95 135.00 134.93 2omj n PRO 86 Ca -0.14 -0.51 -0.25 0.00 -2.02 0.00 0.00 63.50 60.58 2omj n PRO 86 Cb 0.49 -1.67 0.18 0.00 -0.02 0.00 0.00 33.50 32.48 2omj n PRO 86 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2omj n PRO 87 N -2.09 -2.43 -0.98 0.52 -0.02 -1.26 -4.98 135.00 123.76 2omj n PRO 87 Ca 0.01 -0.71 0.05 0.00 -2.02 0.00 0.00 63.50 60.83 2omj n PRO 87 Cb 0.60 -1.63 0.08 0.00 -0.02 0.00 0.00 33.50 32.54 2omj n PRO 87 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2omj n GLY 88 N 2.20 2.50 3.96 -1.23 0.00 -1.26 -5.32 105.19 106.04 2omj n GLY 88 Ca 0.05 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2omj n GLY 88 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76