#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 6.59 -1.28 1.61 2.88 -1.26 -4.41 113.62 117.75 2omj n SER 2 Ca 0.00 -3.79 -0.05 0.00 -1.33 0.00 0.00 58.87 53.70 2omj n SER 2 Cb 0.00 -0.82 -0.03 0.00 -0.75 0.00 0.00 64.21 62.61 2omj n SER 2 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2omj n HIS 3 N -0.63 -0.18 0.11 0.66 1.44 -1.26 -4.28 115.22 111.08 2omj n HIS 3 Ca 0.51 -0.65 0.01 0.00 -2.01 0.00 0.00 57.72 55.58 2omj n HIS 3 Cb 0.51 0.49 0.33 0.00 0.12 0.00 0.00 29.99 31.44 2omj n HIS 3 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 2omj h MET 4 N 0.31 0.24 0.00 -1.40 -1.53 -1.99 -3.43 114.93 107.13 2omj h MET 4 Ca -0.50 -0.07 0.00 0.00 -3.44 0.00 0.00 59.70 55.69 2omj h MET 4 Cb 1.47 -0.02 0.00 0.00 -0.55 0.00 0.00 31.60 32.50 2omj h MET 4 CO -0.21 0.46 0.00 0.41 0.14 0.00 0.00 176.91 177.71 2omj n GLY 5 N -0.64 0.12 0.51 1.39 0.00 -1.26 -5.11 105.19 100.20 2omj n GLY 5 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.94 0.00 -3.92 0.99 7.99 -1.26 -5.11 117.00 114.75 2omj n LEU 6 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 56.01 55.80 2omj n LEU 6 Cb 0.00 0.00 -0.16 0.00 -0.11 0.00 0.00 43.42 43.15 2omj n LEU 6 CO 0.00 -0.18 -0.42 -0.69 -1.51 0.00 0.00 177.39 174.59 2omj s VAL 7 N -0.36 0.61 -0.11 4.08 1.01 -1.26 -4.81 120.40 119.55 2omj s VAL 7 Ca 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 2omj s VAL 7 Cb 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2omj s VAL 7 CO 0.00 0.23 0.04 -1.58 0.00 0.00 0.00 175.10 173.80 2omj s GLN 8 N 0.73 3.24 0.09 2.72 0.74 -1.26 -2.75 119.66 123.17 2omj s GLN 8 Ca -0.10 -0.33 0.04 0.00 0.05 0.00 0.00 55.36 55.02 2omj s GLN 8 Cb -0.13 -2.95 -0.03 0.00 1.10 0.00 0.00 33.01 30.99 2omj s GLN 8 CO 0.01 0.66 -0.11 0.50 -0.55 0.00 0.00 175.29 175.80 2omj s ARG 9 N -0.75 0.83 -0.11 1.67 3.52 -0.53 -5.01 118.95 118.57 2omj s ARG 9 Ca 0.12 -1.11 -0.05 0.00 -0.13 0.00 0.00 55.73 54.56 2omj s ARG 9 Cb -0.12 -0.58 -0.04 0.00 -1.56 0.00 0.00 34.95 32.66 2omj s ARG 9 CO 0.03 0.10 0.09 0.00 -0.81 0.00 0.00 175.30 174.71 2omj s VAL 11 N -0.95 0.67 -0.33 0.00 -7.23 -1.21 -4.99 120.40 106.35 2omj s VAL 11 Ca 0.14 -0.69 -0.03 0.00 -1.81 0.00 0.00 61.98 59.60 2omj s VAL 11 Cb -0.12 -0.63 0.06 0.00 0.56 0.00 0.00 36.38 36.26 2omj s VAL 11 CO 0.03 -0.04 0.07 -0.63 -0.31 0.00 0.00 175.10 174.22 2omj s ILE 12 N -0.68 3.16 -0.20 -0.62 -1.09 -1.26 -3.06 121.20 117.45 2omj s ILE 12 Ca -0.01 -1.53 -0.06 0.00 -2.23 0.00 0.00 60.65 56.81 2omj s ILE 12 Cb -0.06 -2.91 -0.03 0.00 -1.58 0.00 0.00 42.46 37.88 2omj s ILE 12 CO 0.00 -0.27 0.04 0.27 -1.23 0.00 0.00 174.94 173.75 2omj s ILE 13 N 1.24 4.37 -0.11 2.92 -4.36 -0.66 -4.58 121.20 120.01 2omj s ILE 13 Ca -0.01 -0.17 -0.05 0.00 -0.26 0.00 0.00 60.65 60.16 2omj s ILE 13 Cb -0.20 -2.99 -0.04 0.00 1.25 0.00 0.00 42.46 40.48 2omj s ILE 13 CO -0.01 0.42 0.09 -1.10 0.24 0.00 0.00 174.94 174.58 2omj s GLN 14 N 0.85 3.33 0.02 0.37 1.11 -1.26 -2.23 119.66 121.85 2omj s GLN 14 Ca 0.02 -0.23 -0.30 0.00 0.01 0.00 0.00 55.36 54.86 2omj s GLN 14 Cb -0.14 -3.07 -0.05 0.00 -1.01 0.00 0.00 33.01 28.75 2omj s GLN 14 CO 0.02 0.72 1.17 0.21 0.01 0.00 0.00 175.29 177.43 2omj s LYS 15 N -0.89 4.42 0.00 2.91 2.36 -0.14 -4.73 119.74 123.67 2omj s LYS 15 Ca 0.14 1.70 0.00 0.00 -2.55 0.00 0.00 55.97 55.26 2omj s LYS 15 Cb -0.12 -3.42 0.00 0.00 -1.05 0.00 0.00 37.83 33.24 2omj s LYS 15 CO 0.03 -0.29 0.00 -0.25 1.55 0.00 0.00 175.35 176.40 2omj n ASP 16 N 4.28 0.40 -0.17 1.43 8.00 -1.26 -4.93 116.55 124.30 2omj n ASP 16 Ca 0.09 -0.96 0.04 0.00 0.71 0.00 0.00 54.79 54.67 2omj n ASP 16 Cb 0.47 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.89 2omj n ASP 16 CO 0.00 0.00 0.00 -2.24 -0.39 0.00 0.00 177.20 174.57 2omj h ASP 17 N 0.00 0.70 -0.18 -2.24 2.03 -2.03 -2.43 116.42 112.28 2omj h ASP 17 Ca 0.00 -0.01 -0.12 0.00 -0.73 0.00 0.00 57.03 56.18 2omj h ASP 17 Cb 0.00 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.34 2omj h ASP 17 CO 0.00 0.49 -0.34 -1.13 -1.03 0.00 0.00 179.24 177.23 2omj h ASN 18 N 0.82 0.61 -0.28 4.15 -0.00 -2.01 -3.49 115.58 115.38 2omj h ASN 18 Ca 0.27 -0.54 0.00 0.00 -0.00 0.00 0.00 56.30 56.03 2omj h ASN 18 Cb 0.07 -0.18 0.00 0.00 -0.00 0.00 0.00 38.32 38.22 2omj h ASN 18 CO -0.08 1.04 0.00 0.61 -0.00 0.00 0.00 177.43 179.00 2omj n GLY 19 N 0.39 0.63 2.14 1.57 0.00 -0.92 -4.99 105.19 104.02 2omj n GLY 19 Ca -0.06 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2omj n GLY 19 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2omj n PHE 20 N -0.06 -4.74 -0.04 1.61 3.01 -1.26 -4.95 117.46 111.03 2omj n PHE 20 Ca 0.00 2.84 -0.22 0.00 1.01 0.00 0.00 57.45 61.08 2omj n PHE 20 Cb 0.02 -3.70 -0.13 0.00 -0.01 0.00 0.00 39.48 35.66 2omj n PHE 20 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2omj h GLY 21 N 4.13 0.17 -3.67 1.37 0.00 -1.95 -3.47 103.07 99.66 2omj h GLY 21 Ca 0.00 -0.44 -0.56 0.00 0.00 0.00 0.00 47.33 46.32 2omj h GLY 21 CO 0.00 0.39 0.46 1.47 0.00 0.00 0.00 176.54 178.85 2omj n LEU 22 N -3.98 3.90 -4.59 3.11 -0.00 -1.26 -4.41 117.00 109.78 2omj n LEU 22 Ca -0.30 1.10 -0.37 0.00 -0.00 0.00 0.00 56.01 56.43 2omj n LEU 22 Cb 0.86 -1.48 -0.11 0.00 -0.00 0.00 0.00 43.42 42.69 2omj n LEU 22 CO 0.33 -0.74 -0.20 -0.89 -0.00 0.00 0.00 177.39 175.89 2omj s THR 23 N -1.21 5.12 -0.05 1.47 2.01 0.87 -4.90 115.64 118.95 2omj s THR 23 Ca 0.62 0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.78 2omj s THR 23 Cb -0.51 -3.41 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 2omj s THR 23 CO 0.58 0.31 -0.23 0.54 -0.69 0.00 0.00 174.62 175.12 2omj s VAL 24 N 1.42 2.23 -0.14 3.82 0.11 -1.26 -1.49 120.40 125.09 2omj s VAL 24 Ca 0.07 -1.02 -0.08 0.00 -2.93 0.00 0.00 61.98 58.01 2omj s VAL 24 Cb -0.15 -1.81 0.05 0.00 -1.53 0.00 0.00 36.38 32.94 2omj s VAL 24 CO 0.07 0.57 0.34 -0.94 -3.33 0.00 0.00 175.10 171.82 2omj s SER 25 N -0.36 -0.40 -0.30 3.54 1.04 -1.09 -4.97 113.70 111.16 2omj s SER 25 Ca 0.02 0.73 -0.17 0.00 0.48 0.00 0.00 55.95 57.02 2omj s SER 25 Cb -0.12 0.64 0.18 0.00 0.10 0.00 0.00 66.02 66.81 2omj s SER 25 CO 0.02 -0.17 1.10 -0.83 0.98 0.00 0.00 173.24 174.34 2omj s GLY 26 N 1.11 0.01 0.00 7.32 0.00 -1.26 -4.20 107.32 110.30 2omj s GLY 26 Ca -0.08 3.29 0.00 0.00 0.00 0.00 0.00 44.72 47.94 2omj s GLY 26 CO -0.09 3.24 0.83 1.34 0.00 0.00 0.00 173.10 178.43 2omj n ASP 27 N 4.70 0.00 -0.08 1.64 -0.08 -1.26 -4.43 116.55 117.04 2omj n ASP 27 Ca -0.09 0.83 -0.13 0.00 -1.51 0.00 0.00 54.79 53.89 2omj n ASP 27 Cb 0.54 -0.33 -0.09 0.00 2.34 0.00 0.00 41.12 43.58 2omj n ASP 27 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 2omj h ASN 28 N 0.00 0.00 -1.92 1.67 -1.24 -1.84 -3.40 115.58 108.85 2omj h ASN 28 Ca 0.00 -0.53 0.00 0.00 0.71 0.00 0.00 56.30 56.48 2omj h ASN 28 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 2omj h ASN 28 CO 0.00 1.05 0.00 -0.81 -1.29 0.00 0.00 177.43 176.38 2omj n PRO 29 N -4.58 0.52 -3.41 6.67 -0.04 -1.26 -4.67 135.00 128.23 2omj n PRO 29 Ca -0.15 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.10 2omj n PRO 29 Cb 0.44 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.80 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 -0.32 -0.25 -0.00 0.52 1.01 -1.26 -4.36 120.40 115.73 2omj s VAL 30 Ca 0.00 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.13 2omj s VAL 30 Cb 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 2omj s VAL 30 CO 0.00 -0.63 -0.17 0.72 0.00 0.00 0.00 175.10 175.03 2omj s PHE 31 N 1.78 1.49 -0.11 5.22 -0.71 -1.26 0.11 117.98 124.49 2omj s PHE 31 Ca 0.13 -0.30 -0.21 0.00 -1.04 0.00 0.00 56.93 55.52 2omj s PHE 31 Cb -0.16 -0.94 -0.04 0.00 -1.21 0.00 0.00 43.02 40.67 2omj s PHE 31 CO -0.17 -0.01 0.61 0.08 -1.34 0.00 0.00 175.22 174.39 2omj s VAL 32 N -0.47 5.09 -0.18 -2.49 1.01 0.10 -2.67 120.40 120.79 2omj s VAL 32 Ca 0.06 1.22 0.17 0.00 0.00 0.00 0.00 61.98 63.43 2omj s VAL 32 Cb -0.07 -3.94 -0.25 0.00 0.00 0.00 0.00 36.38 32.12 2omj s VAL 32 CO -0.00 0.25 0.14 1.67 0.00 0.00 0.00 175.10 177.15 2omj n GLN 33 N 4.00 0.68 -4.61 2.72 7.27 -0.55 0.26 117.38 127.14 2omj n GLN 33 Ca -0.03 0.03 -0.27 0.00 0.07 0.00 0.00 57.00 56.81 2omj n GLN 33 Cb 0.51 -1.56 -0.14 0.00 2.41 0.00 0.00 30.24 31.47 2omj n GLN 33 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2omj s SER 34 N -5.60 2.73 -0.04 1.69 0.01 -0.63 -4.02 113.70 107.84 2omj s SER 34 Ca -0.10 -0.59 0.01 0.00 1.31 0.00 0.00 55.95 56.58 2omj s SER 34 Cb 0.06 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.10 2omj s SER 34 CO 0.82 0.17 -0.04 -0.69 0.41 0.00 0.00 173.24 173.91 2omj s VAL 35 N -0.89 0.51 -0.30 3.43 1.01 -1.26 -0.09 120.40 122.81 2omj s VAL 35 Ca 0.09 -0.11 -0.28 0.00 0.00 0.00 0.00 61.98 61.68 2omj s VAL 35 Cb -0.09 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 2omj s VAL 35 CO 0.03 0.22 1.84 -0.75 0.00 0.00 0.00 175.10 176.44 2omj s LYS 36 N 0.91 3.37 -0.44 2.72 2.47 -1.26 -4.83 119.74 122.68 2omj s LYS 36 Ca -0.11 1.56 -0.02 0.00 -1.56 0.00 0.00 55.97 55.83 2omj s LYS 36 Cb -0.14 -4.20 0.20 0.00 -1.46 0.00 0.00 37.83 32.22 2omj s LYS 36 CO 0.00 -1.82 2.29 -0.85 0.16 0.00 0.00 175.35 175.14 2omj n GLU 37 N 8.39 2.18 -1.06 4.03 0.00 -1.26 -0.33 120.64 132.59 2omj n GLU 37 Ca 0.23 -2.17 -0.00 0.00 0.00 0.00 0.00 57.16 55.23 2omj n GLU 37 Cb 0.46 -1.92 0.00 0.00 0.00 0.00 0.00 31.44 29.98 2omj n GLU 37 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2omj n ASP 38 N 0.33 -0.04 0.00 -1.84 2.03 -1.26 -4.96 116.55 110.81 2omj n ASP 38 Ca 0.42 -0.58 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2omj n ASP 38 Cb 0.56 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 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 -0.02 3.08 0.36 0.27 0.00 -1.25 -4.99 105.19 102.62 2omj n GLY 39 Ca -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 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 2.00 1.29 -0.28 4.61 0.00 -1.85 0.17 119.26 125.19 2omj h ALA 40 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2omj h ALA 40 Cb 0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2omj h ALA 40 CO 0.00 0.60 0.16 0.00 0.00 0.00 0.00 179.25 180.01 2omj h ALA 41 N 1.38 0.35 -0.15 0.00 0.00 -1.90 0.92 119.26 119.85 2omj h ALA 41 Ca 0.30 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 2omj h ALA 41 Cb -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2omj h ALA 41 CO -0.05 -0.21 -0.46 1.98 0.00 0.00 0.00 179.25 180.50 2omj h MET 42 N 0.33 0.58 -0.09 0.00 -1.53 -0.39 -2.32 114.93 111.52 2omj h MET 42 Ca 0.11 -0.42 0.00 0.00 -3.44 0.00 0.00 59.70 55.95 2omj h MET 42 Cb 0.00 0.07 -0.00 0.00 -0.55 0.00 0.00 31.60 31.12 2omj h MET 42 CO -0.05 1.04 0.06 -0.09 0.14 0.00 0.00 176.91 178.00 2omj h ARG 43 N 0.22 0.11 0.00 0.39 9.65 -0.51 -0.35 114.38 123.89 2omj h ARG 43 Ca -0.01 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2omj h ARG 43 Cb 1.08 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 2omj h ARG 43 CO 0.10 0.07 -0.28 0.00 2.80 0.00 0.00 179.97 182.66 2omj h ALA 44 N 1.95 0.82 -3.16 2.80 0.00 -0.75 -3.48 119.26 117.44 2omj h ALA 44 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2omj h ALA 44 Cb -0.00 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.82 2omj h ALA 44 CO -0.01 0.00 -0.14 0.41 0.00 0.00 0.00 179.25 179.52 2omj n GLY 45 N 1.28 0.50 3.95 0.00 0.00 -0.14 -4.54 105.19 106.24 2omj n GLY 45 Ca 0.04 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.06 5.23 0.11 1.61 1.01 -0.90 -5.03 120.40 119.36 2omj s VAL 46 Ca 0.05 -0.75 0.10 0.00 0.00 0.00 0.00 61.98 61.38 2omj s VAL 46 Cb -0.01 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 2omj s VAL 46 CO 0.12 -0.32 -0.24 -1.10 0.00 0.00 0.00 175.10 173.56 2omj s GLN 47 N -3.85 1.60 0.09 2.72 1.11 -1.26 -4.90 119.66 115.17 2omj s GLN 47 Ca 0.36 -1.24 -0.31 0.00 0.01 0.00 0.00 55.36 54.18 2omj s GLN 47 Cb -0.10 -1.98 -0.07 0.00 -1.01 0.00 0.00 33.01 29.85 2omj s GLN 47 CO 0.30 0.47 1.37 0.99 0.01 0.00 0.00 175.29 178.44 2omj s THR 48 N -1.03 3.48 0.00 -0.19 2.01 -1.26 -3.04 115.64 115.61 2omj s THR 48 Ca 0.15 1.03 0.00 0.00 0.31 0.00 0.00 61.69 63.18 2omj s THR 48 Cb -0.10 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.75 2omj s THR 48 CO 0.06 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 2omj n GLY 49 N 3.49 0.58 3.75 4.40 0.00 0.14 -5.00 105.19 112.55 2omj n GLY 49 Ca 0.11 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.00 7.00 -0.07 1.61 2.15 -0.76 -4.82 116.67 118.79 2omj s ASP 50 Ca 0.00 1.20 -0.20 0.00 0.43 0.00 0.00 52.55 53.97 2omj s ASP 50 Cb 0.00 -2.39 -0.04 0.00 -0.30 0.00 0.00 42.92 40.19 2omj s ASP 50 CO 0.00 0.05 0.58 -0.13 -0.17 0.00 0.00 175.17 175.50 2omj s ARG 51 N 0.01 4.36 -0.23 4.34 0.52 -0.94 0.02 118.95 127.04 2omj s ARG 51 Ca 0.33 0.67 -0.13 0.00 -0.52 0.00 0.00 55.73 56.07 2omj s ARG 51 Cb -0.18 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.84 2omj s ARG 51 CO 0.18 0.20 0.30 0.42 0.02 0.00 0.00 175.30 176.42 2omj s ILE 52 N 0.40 5.26 -0.23 1.52 1.01 0.29 0.74 121.20 130.20 2omj s ILE 52 Ca 0.31 0.47 -0.07 0.00 0.00 0.00 0.00 60.65 61.36 2omj s ILE 52 Cb -0.17 -3.63 -0.18 0.00 0.01 0.00 0.00 42.46 38.49 2omj s ILE 52 CO 0.15 0.28 -0.08 -0.38 0.00 0.00 0.00 174.94 174.90 2omj n ILE 53 N 4.43 1.57 -4.02 2.92 2.08 0.19 -4.37 119.36 122.16 2omj n ILE 53 Ca -0.11 -0.47 -0.11 0.00 0.56 0.00 0.00 62.75 62.62 2omj n ILE 53 Cb 0.51 -1.68 -0.11 0.00 -0.75 0.00 0.00 39.64 37.61 2omj n ILE 53 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2omj s LYS 54 N -2.51 0.41 -0.23 0.38 2.20 -0.96 -4.44 119.74 114.60 2omj s LYS 54 Ca -0.33 -0.69 -0.03 0.00 -0.36 0.00 0.00 55.97 54.56 2omj s LYS 54 Cb 0.10 -0.06 0.08 0.00 -1.51 0.00 0.00 37.83 36.43 2omj s LYS 54 CO 0.61 -0.01 0.08 0.14 -0.36 0.00 0.00 175.35 175.80 2omj s VAL 55 N -1.51 0.35 -1.22 4.02 -7.23 -1.12 0.14 120.40 113.83 2omj s VAL 55 Ca -0.13 -0.68 -0.05 0.00 -1.81 0.00 0.00 61.98 59.31 2omj s VAL 55 Cb -0.09 -1.05 0.01 0.00 0.56 0.00 0.00 36.38 35.80 2omj s VAL 55 CO -0.01 -0.41 1.05 0.59 -0.31 0.00 0.00 175.10 176.01 2omj n ASN 56 N 5.10 -4.66 -0.88 4.85 4.13 -0.68 -2.20 115.26 120.92 2omj n ASN 56 Ca -0.07 -0.53 -0.08 0.00 1.68 0.00 0.00 54.58 55.58 2omj n ASN 56 Cb 0.46 -4.78 -0.01 0.00 -1.54 0.00 0.00 39.78 33.91 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 -1.63 0.27 2.67 7.41 0.00 -1.26 -4.98 105.19 107.66 2omj n GLY 57 Ca -0.09 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 2omj n GLY 57 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2omj n THR 58 N -3.70 0.47 0.21 2.61 -1.04 -0.94 -4.93 114.28 106.95 2omj n THR 58 Ca -0.10 -4.28 0.06 0.00 -2.04 0.00 0.00 64.05 57.69 2omj n THR 58 Cb 0.50 -1.97 0.55 0.00 -1.82 0.00 0.00 70.33 67.60 2omj n THR 58 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 2omj h LEU 59 N 5.43 0.06-10.12 -4.42 -0.00 -1.86 -2.97 115.31 101.43 2omj h LEU 59 Ca 0.20 -0.01 -0.51 0.00 -0.00 0.00 0.00 57.88 57.56 2omj h LEU 59 Cb 0.82 -0.02 0.10 0.00 -0.00 0.00 0.00 40.66 41.55 2omj h LEU 59 CO 0.58 0.13 0.42 -0.69 -0.00 0.00 0.00 178.44 178.88 2omj s VAL 60 N -4.93 2.99 0.28 0.15 1.01 -1.26 -4.69 120.40 113.95 2omj s VAL 60 Ca -0.05 0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.52 2omj s VAL 60 Cb 0.16 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 2omj s VAL 60 CO 0.69 -0.18 0.12 0.28 0.00 0.00 0.00 175.10 176.00 2omj s THR 61 N -1.89 0.49 0.51 3.92 -1.32 -1.26 -4.92 115.64 111.18 2omj s THR 61 Ca 0.73 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 59.22 2omj s THR 61 Cb -0.25 -2.59 -0.01 0.00 -1.51 0.00 0.00 72.50 68.14 2omj s THR 61 CO 0.33 0.00 0.02 -2.28 -2.21 0.00 0.00 174.62 170.48 2omj s HIS 62 N -3.68 1.84 0.01 9.09 2.46 -1.26 -5.06 115.29 118.69 2omj s HIS 62 Ca 0.37 -0.95 0.11 0.00 0.47 0.00 0.00 55.06 55.05 2omj s HIS 62 Cb 0.07 -1.62 -0.23 0.00 -0.13 0.00 0.00 32.58 30.67 2omj s HIS 62 CO 0.15 0.19 0.85 0.66 -2.47 0.00 0.00 174.74 174.13 2omj h SER 63 N 1.31 0.01 -3.33 9.88 4.64 -1.89 -3.43 113.55 120.75 2omj h SER 63 Ca -0.44 -0.02 -0.59 0.00 -0.47 0.00 0.00 61.79 60.28 2omj h SER 63 Cb 1.32 -0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.32 2omj h SER 63 CO 0.73 1.01 0.34 0.21 -0.87 0.00 0.00 176.83 178.25 2omj s ASN 64 N -6.30 6.86 0.26 4.97 3.84 -1.26 -4.72 114.94 118.59 2omj s ASN 64 Ca -0.03 1.06 -0.01 0.00 0.21 0.00 0.00 52.86 54.09 2omj s ASN 64 Cb 0.09 -2.42 0.34 0.00 -0.55 0.00 0.00 41.25 38.70 2omj s ASN 64 CO 0.82 -0.39 1.73 -0.74 -2.79 0.00 0.00 177.10 175.74 2omj h HIS 65 N 7.44 0.77 -0.78 0.43 -0.00 -1.86 -2.86 115.15 118.28 2omj h HIS 65 Ca -0.29 -0.13 0.09 0.00 -0.00 0.00 0.00 60.37 60.05 2omj h HIS 65 Cb 1.13 -0.20 -0.07 0.00 -0.00 0.00 0.00 27.41 28.26 2omj h HIS 65 CO 0.72 0.78 0.44 -0.07 -0.00 0.00 0.00 177.93 179.79 2omj h LEU 66 N 0.65 0.61 -0.50 0.26 3.38 -1.97 0.34 115.31 118.08 2omj h LEU 66 Ca 0.12 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2omj h LEU 66 Cb 0.54 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2omj h LEU 66 CO 0.03 0.35 0.23 -0.33 0.09 0.00 0.00 178.44 178.82 2omj h GLU 67 N 0.74 0.73 -0.25 1.13 3.07 -1.93 0.36 114.58 118.43 2omj h GLU 67 Ca 0.38 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 59.11 2omj h GLU 67 Cb 0.35 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 2omj h GLU 67 CO -0.25 0.62 0.09 0.28 -1.40 0.00 0.00 179.01 178.36 2omj h VAL 68 N 0.67 1.18 -0.57 3.13 2.07 -1.13 0.36 116.25 121.97 2omj h VAL 68 Ca 0.17 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2omj h VAL 68 Cb 0.14 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2omj h VAL 68 CO -0.02 0.18 0.31 0.58 0.02 0.00 0.00 177.57 178.64 2omj h VAL 69 N 0.25 1.19 -0.56 2.57 2.07 -0.13 0.29 116.25 121.93 2omj h VAL 69 Ca 0.08 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 2omj h VAL 69 Cb 0.20 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 2omj h VAL 69 CO -0.01 0.21 0.03 0.11 0.02 0.00 0.00 177.57 177.93 2omj h LYS 70 N 0.76 0.94 -0.39 1.57 1.57 -0.05 0.34 116.57 121.31 2omj h LYS 70 Ca 0.20 -0.26 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 2omj h LYS 70 Cb 0.06 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2omj h LYS 70 CO -0.03 0.91 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.50 2omj h LEU 71 N 0.87 0.84 -0.38 2.94 3.38 0.24 0.17 115.31 123.38 2omj h LEU 71 Ca 0.17 -0.41 -0.18 0.00 0.09 0.00 0.00 57.88 57.55 2omj h LEU 71 Cb 0.48 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2omj h LEU 71 CO 0.02 1.06 -0.58 0.40 0.09 0.00 0.00 178.44 179.43 2omj h ILE 72 N 0.62 1.30 0.00 1.22 2.04 -0.23 -3.10 117.51 119.36 2omj h ILE 72 Ca 0.09 -1.81 -0.11 0.00 1.00 0.00 0.00 64.86 64.03 2omj h ILE 72 Cb 0.74 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 2omj h ILE 72 CO 0.06 0.57 -0.52 0.11 0.00 0.00 0.00 178.15 178.37 2omj h LYS 73 N 0.53 0.00 -5.23 2.37 1.57 -0.27 -3.41 116.57 112.14 2omj h LYS 73 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2omj h LYS 73 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2omj h LYS 73 CO 0.12 0.52 0.36 -1.54 -0.57 0.00 0.00 179.45 178.33 2omj s SER 74 N -6.55 3.91 0.00 0.86 1.04 0.60 -4.60 113.70 108.96 2omj s SER 74 Ca 0.01 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.30 2omj s SER 74 Cb 0.11 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2omj s SER 74 CO 0.73 -4.24 0.00 0.61 0.98 0.00 0.00 173.24 171.31 2omj n GLY 75 N 6.08 4.70 0.14 7.32 0.00 -1.26 -4.99 105.19 117.18 2omj n GLY 75 Ca 0.43 -1.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 2omj n GLY 75 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2omj h SER 76 N 0.00 -0.19 -3.70 1.61 4.64 -1.93 -3.42 113.55 110.55 2omj h SER 76 Ca 0.00 -0.34 -0.63 0.00 -0.47 0.00 0.00 61.79 60.34 2omj h SER 76 Cb 0.00 0.05 -0.15 0.00 -0.31 0.00 0.00 62.40 61.99 2omj h SER 76 CO 0.00 0.33 -0.23 -0.31 -0.87 0.00 0.00 176.83 175.75 2omj s TYR 77 N -3.69 3.23 -0.12 4.77 1.51 -1.26 -0.97 117.35 120.82 2omj s TYR 77 Ca -0.13 0.32 0.01 0.00 -1.01 0.00 0.00 57.07 56.26 2omj s TYR 77 Cb 0.01 -2.62 0.02 0.00 -0.11 0.00 0.00 41.96 39.26 2omj s TYR 77 CO 0.51 -0.29 -0.14 0.08 -1.11 0.00 0.00 175.55 174.60 2omj s VAL 78 N 2.09 1.43 -0.37 0.71 1.01 -0.95 -5.04 120.40 119.28 2omj s VAL 78 Ca 0.15 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 2omj s VAL 78 Cb -0.16 -1.33 0.10 0.00 0.00 0.00 0.00 36.38 34.99 2omj s VAL 78 CO 0.11 0.43 0.13 0.00 0.00 0.00 0.00 175.10 175.76 2omj s ALA 79 N 1.21 3.02 -0.07 5.51 0.00 -1.26 -1.66 121.76 128.51 2omj s ALA 79 Ca -0.02 -2.40 0.02 0.00 0.00 0.00 0.00 51.96 49.56 2omj s ALA 79 Cb -0.14 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.75 2omj s ALA 79 CO -0.05 -1.68 -0.12 -0.48 0.00 0.00 0.00 175.76 173.43 2omj s LEU 80 N 1.10 2.82 -0.36 0.00 2.34 -1.17 -1.68 118.68 121.72 2omj s LEU 80 Ca 0.06 -0.19 -0.25 0.00 0.06 0.00 0.00 54.13 53.81 2omj s LEU 80 Cb -0.21 -1.60 0.01 0.00 -0.56 0.00 0.00 46.19 43.83 2omj s LEU 80 CO -0.05 0.30 0.89 -0.89 -1.06 0.00 0.00 176.35 175.55 2omj s THR 81 N -0.47 4.63 0.41 5.48 2.01 0.12 -3.36 115.64 124.47 2omj s THR 81 Ca 0.06 1.14 0.07 0.00 0.31 0.00 0.00 61.69 63.28 2omj s THR 81 Cb -0.12 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 2omj s THR 81 CO 0.02 -0.49 0.22 0.68 -0.69 0.00 0.00 174.62 174.36 2omj s VAL 82 N 3.36 2.37 0.02 3.82 -7.23 -0.85 0.57 120.40 122.46 2omj s VAL 82 Ca 0.36 -1.63 0.05 0.00 -1.81 0.00 0.00 61.98 58.95 2omj s VAL 82 Cb -0.12 -2.99 -0.02 0.00 0.56 0.00 0.00 36.38 33.80 2omj s VAL 82 CO 0.18 0.00 -0.14 -1.58 -0.31 0.00 0.00 175.10 173.25 2omj s GLN 83 N -3.95 0.98 0.00 4.82 0.74 0.23 -1.45 119.66 121.03 2omj s GLN 83 Ca 0.42 -0.67 0.00 0.00 0.05 0.00 0.00 55.36 55.17 2omj s GLN 83 Cb 0.03 -0.97 0.00 0.00 1.10 0.00 0.00 33.01 33.16 2omj s GLN 83 CO 0.24 0.25 0.00 0.41 -0.55 0.00 0.00 175.29 175.63 2omj n GLY 84 N 2.17 -1.93 2.71 2.59 0.00 -1.11 -2.21 105.19 107.42 2omj n GLY 84 Ca -0.17 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.82 0.24 0.20 1.61 0.52 -1.26 -4.48 118.95 113.96 2omj s ARG 85 Ca 0.00 0.22 -0.11 0.00 -0.52 0.00 0.00 55.73 55.32 2omj s ARG 85 Cb 0.00 -0.83 0.22 0.00 0.52 0.00 0.00 34.95 34.86 2omj s ARG 85 CO 0.00 -0.35 1.77 -1.35 0.02 0.00 0.00 175.30 175.40 2omj h PRO 86 N 8.38 0.49 -6.98 3.54 0.11 -1.98 -3.42 132.00 132.13 2omj h PRO 86 Ca -0.16 -0.03 -0.49 0.00 0.11 0.00 0.00 66.00 65.44 2omj h PRO 86 Cb 1.12 -0.11 0.22 0.00 0.11 0.00 0.00 31.00 32.34 2omj h PRO 86 CO 0.21 0.32 -0.32 -2.30 -0.21 0.00 0.00 178.00 175.71 2omj n PRO 87 N -4.91 -1.22 0.00 1.05 -0.02 -1.26 -3.57 135.00 125.07 2omj n PRO 87 Ca 0.07 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 2omj n PRO 87 Cb 0.20 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 1.15 1.80 0.00 -1.23 0.00 -1.26 -5.23 105.19 100.42 2omj n GLY 88 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2omj n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06