#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj s ASP 2 N 0.00 3.42 -0.08 3.42 2.15 -1.26 -5.00 116.67 119.32 2otj s ASP 2 Ca 0.00 -0.94 0.16 0.00 0.43 0.00 0.00 52.55 52.20 2otj s ASP 2 Cb 0.00 -1.12 0.54 0.00 -0.30 0.00 0.00 42.92 42.04 2otj s ASP 2 CO 0.00 -0.19 1.46 0.18 -0.17 0.00 0.00 175.17 176.45 2otj n LEU 3 N 4.73 3.91 -0.32 -1.34 4.77 -1.26 -4.61 117.00 122.88 2otj n LEU 3 Ca -0.13 -2.36 -0.00 0.00 -0.03 0.00 0.00 56.01 53.49 2otj n LEU 3 Cb 0.46 -0.45 0.17 0.00 -2.33 0.00 0.00 43.42 41.27 2otj n LEU 3 CO 0.18 0.78 1.27 0.77 -1.33 0.00 0.00 177.39 179.07 2otj h SER 4 N 3.00 1.04 -0.35 -1.43 4.64 -2.00 -1.52 113.55 116.93 2otj h SER 4 Ca 0.00 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 2otj h SER 4 Cb 1.16 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.99 2otj h SER 4 CO 0.13 0.74 0.16 0.00 -0.87 0.00 0.00 176.83 176.98 2otj h ALA 5 N 1.44 0.45 -1.00 5.18 0.00 -2.00 -2.61 119.26 120.72 2otj h ALA 5 Ca 0.35 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2otj h ALA 5 Cb -0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 2otj h ALA 5 CO -0.09 0.03 0.66 1.96 0.00 0.00 0.00 179.25 181.82 2otj h GLN 6 N 0.42 1.29 -0.94 0.00 7.50 -1.77 -1.98 115.11 119.64 2otj h GLN 6 Ca 0.12 -0.08 0.06 0.00 0.50 0.00 0.00 58.65 59.25 2otj h GLN 6 Cb 0.15 -0.29 -0.06 0.00 0.05 0.00 0.00 27.48 27.32 2otj h GLN 6 CO -0.01 0.85 0.60 0.87 -1.50 0.00 0.00 178.83 179.64 2otj h LYS 7 N 1.33 1.06 -0.40 1.46 1.79 -0.93 0.65 116.57 121.53 2otj h LYS 7 Ca 0.37 -0.06 -0.11 0.00 -2.18 0.00 0.00 60.65 58.67 2otj h LYS 7 Cb -0.12 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.28 2otj h LYS 7 CO -0.09 0.70 -0.21 -0.09 -1.08 0.00 0.00 179.45 178.68 2otj h ARG 8 N 1.09 0.78 -0.09 3.15 2.43 -1.05 -1.38 114.38 119.31 2otj h ARG 8 Ca 0.40 -0.31 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 2otj h ARG 8 Cb 0.15 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2otj h ARG 8 CO -0.17 0.92 -0.47 -0.07 -1.51 0.00 0.00 179.97 178.67 2otj h LEU 9 N 0.68 0.57 -0.57 3.80 3.38 -0.62 -3.02 115.31 119.54 2otj h LEU 9 Ca 0.10 -0.65 0.03 0.00 0.09 0.00 0.00 57.88 57.45 2otj h LEU 9 Cb 0.72 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 2otj h LEU 9 CO 0.06 1.13 0.34 0.00 0.09 0.00 0.00 178.44 180.06 2otj h ALA 10 N 0.46 0.74 -0.55 1.53 0.00 0.31 0.58 119.26 122.33 2otj h ALA 10 Ca -0.03 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2otj h ALA 10 Cb 1.12 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2otj h ALA 10 CO 0.10 0.06 0.37 0.00 0.00 0.00 0.00 179.25 179.77 2otj h ALA 11 N 1.26 1.64 0.12 0.00 0.00 -1.29 0.15 119.26 121.14 2otj h ALA 11 Ca 0.23 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.81 2otj h ALA 11 Cb 0.04 -0.21 0.03 0.00 0.00 0.00 0.00 17.79 17.65 2otj h ALA 11 CO -0.11 0.32 -1.25 0.22 0.00 0.00 0.00 179.25 178.44 2otj h ASP 12 N 0.72 0.87 0.68 0.00 1.82 -1.20 0.12 116.42 119.42 2otj h ASP 12 Ca 0.21 -0.80 -0.03 0.00 -0.39 0.00 0.00 57.03 56.01 2otj h ASP 12 Cb -0.03 -0.27 0.01 0.00 0.68 0.00 0.00 39.33 39.71 2otj h ASP 12 CO -0.05 1.61 -0.33 0.58 -1.61 0.00 0.00 179.24 179.44 2otj h VAL 13 N 0.27 0.25 0.00 2.25 2.07 -0.39 -2.68 116.25 118.02 2otj h VAL 13 Ca -0.19 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2otj h VAL 13 Cb 1.92 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2otj h VAL 13 CO 0.24 0.02 0.00 -0.07 0.02 0.00 0.00 177.57 177.78 2otj h LEU 14 N -1.06 0.00 -2.38 2.57 3.38 -0.86 -3.47 115.31 113.49 2otj h LEU 14 Ca -0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2otj h LEU 14 Cb 0.73 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.50 2otj h LEU 14 CO 0.15 0.00 -0.07 -0.67 0.09 0.00 0.00 178.44 177.95 2otj n ASP 15 N -3.00 -7.71 -3.53 -0.43 -0.08 -0.23 -5.05 116.55 96.53 2otj n ASP 15 Ca -0.01 -0.12 -0.14 0.00 -1.51 0.00 0.00 54.79 53.01 2otj n ASP 15 Cb 0.21 -5.29 -0.04 0.00 2.34 0.00 0.00 41.12 38.33 2otj n ASP 15 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2otj s VAL 16 N -3.03 0.02 0.38 5.18 1.01 0.26 -5.02 120.40 119.20 2otj s VAL 16 Ca 0.03 -0.16 -0.28 0.00 0.00 0.00 0.00 61.98 61.58 2otj s VAL 16 Cb -0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 36.38 35.27 2otj s VAL 16 CO 0.75 -0.09 1.46 -0.83 0.00 0.00 0.00 175.10 176.40 2otj s GLY 17 N -2.10 2.95 0.53 4.51 0.00 -1.26 -4.48 107.32 107.46 2otj s GLY 17 Ca -0.04 1.53 0.33 0.00 0.00 0.00 0.00 44.72 46.55 2otj s GLY 17 CO -0.03 2.21 1.84 0.50 0.00 0.00 0.00 173.10 177.61 2otj h LYS 18 N 2.97 0.03 0.00 2.90 1.57 -1.90 0.67 116.57 122.81 2otj h LYS 18 Ca -0.51 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2otj h LYS 18 Cb 1.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2otj h LYS 18 CO 0.64 0.02 0.00 0.09 -0.57 0.00 0.00 179.45 179.63 2otj n ASN 19 N -4.24 0.00 -0.00 0.86 3.02 -1.26 -2.91 115.26 110.72 2otj n ASN 19 Ca 0.23 -0.88 0.03 0.00 -0.03 0.00 0.00 54.58 53.93 2otj n ASN 19 Cb 1.11 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 40.23 2otj n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2otj n ARG 20 N -0.88 0.88 -2.19 3.52 1.74 0.23 -4.98 116.66 114.97 2otj n ARG 20 Ca 0.13 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.74 2otj n ARG 20 Cb 0.06 -1.10 -0.03 0.00 -1.02 0.00 0.00 32.46 30.37 2otj n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2otj s VAL 21 N -2.31 3.32 -0.09 1.55 -7.23 -1.15 -0.72 120.40 113.76 2otj s VAL 21 Ca -0.02 0.97 0.02 0.00 -1.81 0.00 0.00 61.98 61.14 2otj s VAL 21 Cb 0.04 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.34 2otj s VAL 21 CO 0.26 0.09 -0.13 0.86 -0.31 0.00 0.00 175.10 175.87 2otj s TRP 22 N 0.90 2.77 -0.16 2.82 -0.00 0.29 -4.93 118.94 120.62 2otj s TRP 22 Ca 0.63 -0.35 -0.01 0.00 -0.00 0.00 0.00 56.10 56.37 2otj s TRP 22 Cb -0.36 -1.73 -0.01 0.00 -0.00 0.00 0.00 33.47 31.37 2otj s TRP 22 CO 0.32 0.02 -0.13 -0.06 -0.00 0.00 0.00 176.95 177.11 2otj s PHE 23 N -0.26 2.83 0.04 5.86 0.40 -1.26 -1.29 117.98 124.31 2otj s PHE 23 Ca 0.02 -0.95 -0.32 0.00 -0.60 0.00 0.00 56.93 55.08 2otj s PHE 23 Cb -0.13 -1.93 -0.11 0.00 0.51 0.00 0.00 43.02 41.37 2otj s PHE 23 CO 0.03 -0.44 1.89 -1.71 0.70 0.00 0.00 175.22 175.69 2otj n ASN 24 N 4.11 3.89 0.15 1.36 2.85 -0.19 -4.86 115.26 122.56 2otj n ASN 24 Ca -0.19 0.96 0.15 0.00 -0.11 0.00 0.00 54.58 55.39 2otj n ASN 24 Cb 0.52 -1.49 0.72 0.00 1.24 0.00 0.00 39.78 40.77 2otj n ASN 24 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2otj h PRO 25 N 9.34 0.00 -0.00 1.20 0.11 -1.98 -0.93 132.00 139.74 2otj h PRO 25 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2otj h PRO 25 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2otj h PRO 25 CO 0.94 0.00 -0.19 0.39 -0.21 0.00 0.00 178.00 178.93 2otj n GLU 26 N -4.25 0.00 -0.56 1.05 1.02 -1.26 -3.93 120.64 112.71 2otj n GLU 26 Ca 0.03 -0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.20 2otj n GLU 26 Cb 0.34 -1.50 0.21 0.00 -0.02 0.00 0.00 31.44 30.47 2otj n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2otj n ARG 27 N -1.50 1.97 -0.24 3.49 1.74 -0.36 -4.72 116.66 117.05 2otj n ARG 27 Ca 0.06 -3.02 0.01 0.00 -0.77 0.00 0.00 57.85 54.13 2otj n ARG 27 Cb 0.34 -1.74 0.13 0.00 -1.02 0.00 0.00 32.46 30.17 2otj n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2otj h GLN 28 N 1.03 0.60 -0.86 5.56 4.20 -1.68 0.02 115.11 123.98 2otj h GLN 28 Ca 0.10 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 2otj h GLN 28 Cb 1.39 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 29.00 2otj h GLN 28 CO 0.22 0.40 0.53 0.78 -0.67 0.00 0.00 178.83 180.09 2otj h GLY 29 N 0.62 1.24 1.39 3.46 0.00 -1.91 0.29 103.07 108.15 2otj h GLY 29 Ca 0.34 -0.50 -0.25 0.00 0.00 0.00 0.00 47.33 46.92 2otj h GLY 29 CO -0.25 0.49 -1.01 -0.55 0.00 0.00 0.00 176.54 175.22 2otj h ASP 30 N 1.18 0.71 0.36 0.19 3.32 -1.67 -3.09 116.42 117.42 2otj h ASP 30 Ca 0.31 -0.57 -0.11 0.00 0.02 0.00 0.00 57.03 56.68 2otj h ASP 30 Cb -0.07 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 2otj h ASP 30 CO -0.06 1.38 -0.46 0.40 -1.72 0.00 0.00 179.24 178.77 2otj h ILE 31 N 0.30 1.33 -0.59 0.35 2.04 -0.76 -2.73 117.51 117.45 2otj h ILE 31 Ca -0.11 -1.63 0.00 0.00 1.00 0.00 0.00 64.86 64.13 2otj h ILE 31 Cb 1.65 1.81 -0.03 0.00 -0.74 0.00 0.00 36.82 39.52 2otj h ILE 31 CO 0.19 0.48 0.38 0.00 0.00 0.00 0.00 178.15 179.20 2otj h ALA 32 N 1.42 1.56 -0.00 1.87 0.00 -0.37 -0.73 119.26 123.01 2otj h ALA 32 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2otj h ALA 32 Cb 0.86 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2otj h ALA 32 CO 0.07 0.40 -0.04 -0.25 0.00 0.00 0.00 179.25 179.43 2otj n ASP 33 N -4.44 0.05 -4.58 0.00 8.00 -1.04 -4.72 116.55 109.81 2otj n ASP 33 Ca 0.06 0.33 -0.41 0.00 0.71 0.00 0.00 54.79 55.48 2otj n ASP 33 Cb 0.05 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.12 40.72 2otj n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2otj s ALA 34 N -2.93 2.66 -0.26 2.24 0.00 -0.28 -4.79 121.76 118.39 2otj s ALA 34 Ca 0.16 -0.17 -0.15 0.00 0.00 0.00 0.00 51.96 51.80 2otj s ALA 34 Cb 0.19 -4.11 -0.14 0.00 0.00 0.00 0.00 23.12 19.07 2otj s ALA 34 CO 0.53 -3.04 -0.23 -0.89 0.00 0.00 0.00 175.76 172.13 2otj n ILE 35 N 7.26 1.53 -3.22 0.00 2.08 -1.26 -4.85 119.36 120.90 2otj n ILE 35 Ca 0.20 -0.33 -0.18 0.00 0.56 0.00 0.00 62.75 63.01 2otj n ILE 35 Cb 0.49 -1.89 0.00 0.00 -0.75 0.00 0.00 39.64 37.49 2otj n ILE 35 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2otj s THR 36 N -2.48 3.52 0.27 1.39 -4.23 -1.26 -5.00 115.64 107.85 2otj s THR 36 Ca -0.37 -0.99 -0.04 0.00 -1.18 0.00 0.00 61.69 59.12 2otj s THR 36 Cb 0.13 -3.20 0.23 0.00 1.34 0.00 0.00 72.50 71.00 2otj s THR 36 CO 0.52 -0.08 1.92 0.03 -0.54 0.00 0.00 174.62 176.47 2otj h ARG 37 N 0.75 1.12 -0.60 3.99 3.08 -1.97 -1.02 114.38 119.73 2otj h ARG 37 Ca -0.43 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.49 2otj h ARG 37 Cb 1.27 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 31.06 2otj h ARG 37 CO 0.49 0.79 0.27 1.49 -1.07 0.00 0.00 179.97 181.94 2otj h GLU 38 N 1.14 0.89 -0.97 0.04 4.57 -1.99 0.77 114.58 119.02 2otj h GLU 38 Ca 0.30 -0.15 0.07 0.00 -1.18 0.00 0.00 59.36 58.40 2otj h GLU 38 Cb -0.04 -0.15 -0.07 0.00 -0.16 0.00 0.00 28.75 28.33 2otj h GLU 38 CO -0.05 0.74 0.62 -0.44 -1.18 0.00 0.00 179.01 178.69 2otj h ASP 39 N 0.83 0.99 -0.05 1.04 3.32 -1.67 -1.23 116.42 119.65 2otj h ASP 39 Ca 0.20 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 2otj h ASP 39 Cb 0.16 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 2otj h ASP 39 CO -0.02 0.63 0.00 0.58 -1.72 0.00 0.00 179.24 178.71 2otj h VAL 40 N 1.13 1.24 -0.69 -1.35 2.07 -0.25 -2.45 116.25 115.95 2otj h VAL 40 Ca 0.42 -0.72 0.03 0.00 0.82 0.00 0.00 66.70 67.25 2otj h VAL 40 Cb 0.17 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 2otj h VAL 40 CO -0.18 0.20 0.45 0.03 0.02 0.00 0.00 177.57 178.09 2otj h ARG 41 N -0.19 0.80 -0.21 1.57 3.08 -0.43 0.49 114.38 119.49 2otj h ARG 41 Ca 0.01 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2otj h ARG 41 Cb 0.31 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2otj h ARG 41 CO 0.00 0.53 0.11 1.49 -1.07 0.00 0.00 179.97 181.03 2otj h GLU 42 N 0.83 0.30 -0.22 0.04 4.81 -1.14 -0.70 114.58 118.50 2otj h GLU 42 Ca 0.27 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.40 2otj h GLU 42 Cb 0.06 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 2otj h GLU 42 CO -0.08 0.30 -0.14 -0.07 -0.73 0.00 0.00 179.01 178.30 2otj h LEU 43 N 0.22 0.34 -0.44 1.64 3.38 -0.81 -0.69 115.31 118.95 2otj h LEU 43 Ca 0.07 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2otj h LEU 43 Cb 0.10 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2otj h LEU 43 CO -0.01 0.51 0.21 0.58 0.09 0.00 0.00 178.44 179.82 2otj h VAL 44 N 0.33 1.18 -0.67 1.22 2.07 -0.47 -0.80 116.25 119.13 2otj h VAL 44 Ca 0.06 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 2otj h VAL 44 Cb 0.45 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2otj h VAL 44 CO 0.03 0.20 0.26 0.44 0.02 0.00 0.00 177.57 178.51 2otj h ASP 45 N 0.57 0.91 0.63 0.57 3.32 -0.28 -0.21 116.42 121.93 2otj h ASP 45 Ca 0.15 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2otj h ASP 45 Cb 0.13 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.44 2otj h ASP 45 CO -0.02 0.82 0.00 -0.62 -1.72 0.00 0.00 179.24 177.70 2otj n GLU 46 N -4.30 0.02 -0.73 3.56 1.02 -0.35 -4.87 120.64 115.00 2otj n GLU 46 Ca 0.06 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.42 2otj n GLU 46 Cb 0.18 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 2otj n GLU 46 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2otj n GLY 47 N 0.30 0.77 0.24 0.62 0.00 -0.09 -4.93 105.19 102.09 2otj n GLY 47 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 2otj n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otj h ALA 48 N 0.00 1.04 -3.08 4.61 0.00 -1.38 -3.41 119.26 117.05 2otj h ALA 48 Ca 0.00 -0.37 -0.66 0.00 0.00 0.00 0.00 54.91 53.88 2otj h ALA 48 Cb 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 17.79 17.37 2otj h ALA 48 CO 0.00 0.58 -0.75 0.42 0.00 0.00 0.00 179.25 179.50 2otj s ILE 49 N -4.44 3.00 0.22 0.00 1.01 -1.17 -1.03 121.20 118.79 2otj s ILE 49 Ca -0.07 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 59.89 2otj s ILE 49 Cb 0.13 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 2otj s ILE 49 CO 0.80 0.38 -0.02 -1.10 0.00 0.00 0.00 174.94 175.00 2otj s GLN 50 N 1.40 1.31 -0.12 2.79 -0.21 -0.41 -4.41 119.66 120.02 2otj s GLN 50 Ca 0.04 -1.65 0.01 0.00 0.02 0.00 0.00 55.36 53.78 2otj s GLN 50 Cb -0.15 -0.63 -0.02 0.00 1.00 0.00 0.00 33.01 33.22 2otj s GLN 50 CO -0.05 -0.07 -0.14 0.00 -2.12 0.00 0.00 175.29 172.91 2otj s ALA 51 N -3.40 2.59 0.84 6.09 0.00 -1.26 0.11 121.76 126.73 2otj s ALA 51 Ca 0.27 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 2otj s ALA 51 Cb 0.05 -1.15 0.10 0.00 0.00 0.00 0.00 23.12 22.12 2otj s ALA 51 CO 0.08 0.29 1.09 0.21 0.00 0.00 0.00 175.76 177.43 2otj s LYS 52 N 0.20 1.70 -0.05 0.00 2.47 0.10 -4.96 119.74 119.20 2otj s LYS 52 Ca -0.08 0.91 -0.24 0.00 -1.56 0.00 0.00 55.97 55.00 2otj s LYS 52 Cb -0.15 -1.85 -0.04 0.00 -1.46 0.00 0.00 37.83 34.32 2otj s LYS 52 CO 0.05 -1.96 0.71 -0.51 0.16 0.00 0.00 175.35 173.80 2otj s ASP 53 N -3.48 7.02 0.19 1.43 1.01 -1.26 -4.98 116.67 116.61 2otj s ASP 53 Ca 0.62 1.23 -0.30 0.00 0.71 0.00 0.00 52.55 54.81 2otj s ASP 53 Cb -0.17 -2.42 -0.08 0.00 1.01 0.00 0.00 42.92 41.26 2otj s ASP 53 CO 0.56 -0.09 1.13 -1.59 0.21 0.00 0.00 175.17 175.40 2otj s LYS 54 N 0.65 4.56 0.65 8.23 -2.85 -1.26 -5.01 119.74 124.71 2otj s LYS 54 Ca 0.38 1.78 -0.14 0.00 -1.00 0.00 0.00 55.97 56.99 2otj s LYS 54 Cb -0.18 -3.25 -0.01 0.00 -2.06 0.00 0.00 37.83 32.33 2otj s LYS 54 CO 0.19 0.03 1.08 0.21 0.10 0.00 0.00 175.35 176.96 2otj s LYS 55 N -0.47 2.96 -0.03 1.78 2.20 -1.26 -5.08 119.74 119.85 2otj s LYS 55 Ca 0.50 1.21 -0.01 0.00 -0.36 0.00 0.00 55.97 57.30 2otj s LYS 55 Cb -0.31 -1.98 0.03 0.00 -1.51 0.00 0.00 37.83 34.05 2otj s LYS 55 CO 0.36 -1.10 0.07 0.20 -0.36 0.00 0.00 175.35 174.53 2otj s GLY 56 N -2.99 0.02 0.30 5.54 0.00 -1.26 -5.13 107.32 103.80 2otj s GLY 56 Ca 0.63 0.37 -0.29 0.00 0.00 0.00 0.00 44.72 45.43 2otj s GLY 56 CO 0.44 0.62 1.42 -1.31 0.00 0.00 0.00 173.10 174.27 2otj s ASN 57 N 0.81 6.61 -0.12 1.64 -0.87 -1.26 -4.96 114.94 116.79 2otj s ASN 57 Ca -0.06 2.77 -0.30 0.00 -1.57 0.00 0.00 52.86 53.70 2otj s ASN 57 Cb -0.09 -2.64 -0.02 0.00 -0.02 0.00 0.00 41.25 38.48 2otj s ASN 57 CO -0.03 -0.70 1.17 -0.44 -2.57 0.00 0.00 177.10 174.52 2otj s SER 58 N 0.04 7.06 -0.02 -1.22 0.01 -1.26 -4.91 113.70 113.39 2otj s SER 58 Ca 0.55 1.67 0.15 0.00 1.31 0.00 0.00 55.95 59.64 2otj s SER 58 Cb -0.43 -2.55 0.47 0.00 0.21 0.00 0.00 66.02 63.73 2otj s SER 58 CO 0.50 -0.63 1.38 0.54 0.41 0.00 0.00 173.24 175.45 2otj n ARG 59 N 5.75 2.37 0.34 12.44 1.74 -1.26 -4.46 116.66 133.57 2otj n ARG 59 Ca 0.12 -1.91 -0.18 0.00 -0.77 0.00 0.00 57.85 55.11 2otj n ARG 59 Cb 0.46 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 30.34 2otj n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2otj h GLY 60 N 4.81 -1.02 1.45 -0.13 0.00 -2.00 0.18 103.07 106.35 2otj h GLY 60 Ca 0.00 0.43 0.07 0.00 0.00 0.00 0.00 47.33 47.83 2otj h GLY 60 CO 0.04 -0.36 0.22 3.21 0.00 0.00 0.00 176.54 179.65 2otj h ARG 61 N -0.94 0.13 -0.09 4.80 3.08 -2.01 -2.16 114.38 117.19 2otj h ARG 61 Ca -0.07 -0.01 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 2otj h ARG 61 Cb 0.77 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2otj h ARG 61 CO 0.07 0.09 -0.38 0.00 -1.07 0.00 0.00 179.97 178.67 2otj h ALA 62 N 1.83 0.17 -0.83 0.04 0.00 -1.71 -3.07 119.26 115.69 2otj h ALA 62 Ca 0.15 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.62 2otj h ALA 62 Cb 0.41 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2otj h ALA 62 CO -0.02 0.27 0.54 0.00 0.00 0.00 0.00 179.25 180.03 2otj h ARG 63 N -0.03 1.02 -0.59 0.00 3.08 -0.05 0.15 114.38 117.97 2otj h ARG 63 Ca -0.02 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.99 2otj h ARG 63 Cb 1.03 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.81 2otj h ARG 63 CO 0.08 0.68 0.37 0.93 -1.07 0.00 0.00 179.97 180.96 2otj h GLU 64 N 1.06 0.71 -0.65 0.04 5.08 -1.49 -1.22 114.58 118.10 2otj h GLU 64 Ca 0.33 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 2otj h GLU 64 Cb -0.02 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 2otj h GLU 64 CO -0.10 0.47 0.09 -0.09 -1.00 0.00 0.00 179.01 178.37 2otj h ARG 65 N 0.73 1.08 -0.52 2.33 2.43 -1.25 -2.25 114.38 116.94 2otj h ARG 65 Ca 0.24 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2otj h ARG 65 Cb 0.00 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 2otj h ARG 65 CO -0.09 1.00 0.28 1.96 -1.51 0.00 0.00 179.97 181.60 2otj h GLN 66 N 1.01 0.71 0.10 0.20 4.20 -0.13 -1.76 115.11 119.44 2otj h GLN 66 Ca 0.20 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 2otj h GLN 66 Cb 0.46 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.09 2otj h GLN 66 CO 0.02 0.53 -0.05 0.87 -0.67 0.00 0.00 178.83 179.53 2otj h LYS 67 N 0.72 -0.13 -0.73 1.46 1.57 -0.73 -0.83 116.57 117.89 2otj h LYS 67 Ca 0.18 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.00 2otj h LYS 67 Cb 0.03 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2otj h LYS 67 CO -0.03 0.24 0.48 0.87 -0.57 0.00 0.00 179.45 180.44 2otj h LYS 68 N -0.51 0.88 0.02 3.15 1.79 -1.22 -1.58 116.57 119.10 2otj h LYS 68 Ca -0.01 -0.05 -0.21 0.00 -2.18 0.00 0.00 60.65 58.20 2otj h LYS 68 Cb 0.42 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 2otj h LYS 68 CO 0.02 0.58 -0.94 0.00 -1.08 0.00 0.00 179.45 178.03 2otj h ARG 69 N 0.90 0.16 0.00 3.15 3.08 -1.31 0.49 114.38 120.85 2otj h ARG 69 Ca 0.29 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 2otj h ARG 69 Cb 0.02 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2otj h ARG 69 CO -0.08 0.99 -0.23 0.00 -1.07 0.00 0.00 179.97 179.58 2otj h ALA 70 N 0.94 1.05 -0.11 0.04 0.00 -0.71 -1.44 119.26 119.03 2otj h ALA 70 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2otj h ALA 70 Cb 1.61 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.36 2otj h ALA 70 CO 0.14 0.29 0.00 0.98 0.00 0.00 0.00 179.25 180.66 2otj n TYR 71 N -3.44 0.13 -0.47 0.00 9.36 -0.63 -4.94 117.16 117.16 2otj n TYR 71 Ca -0.00 -0.06 0.00 0.00 3.32 0.00 0.00 57.90 61.15 2otj n TYR 71 Cb 0.41 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.12 2otj n TYR 71 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2otj n GLY 72 N 1.17 0.75 3.99 2.98 0.00 -0.54 -5.05 105.19 108.48 2otj n GLY 72 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.01 2otj n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2otj s HIS 73 N -2.40 3.01 -1.03 1.61 3.76 0.17 -4.60 115.29 115.80 2otj s HIS 73 Ca 0.00 -0.28 -0.07 0.00 -0.15 0.00 0.00 55.06 54.56 2otj s HIS 73 Cb 0.00 -2.10 0.01 0.00 1.11 0.00 0.00 32.58 31.60 2otj s HIS 73 CO 0.00 -0.12 0.90 1.04 -0.85 0.00 0.00 174.74 175.72 2otj n GLN 74 N -1.68 -6.07 -0.98 1.40 6.02 -1.26 -3.46 117.38 111.35 2otj n GLN 74 Ca 0.02 0.63 0.02 0.00 -0.01 0.00 0.00 57.00 57.66 2otj n GLN 74 Cb 0.58 -5.09 0.01 0.00 1.02 0.00 0.00 30.24 26.76 2otj n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2otj n LYS 75 N -3.93 0.00 -1.24 -1.09 5.02 -1.26 -4.92 118.16 110.74 2otj n LYS 75 Ca -0.00 -1.46 -0.29 0.00 -2.02 0.00 0.00 58.31 54.54 2otj n LYS 75 Cb 0.55 -0.24 0.17 0.00 -0.02 0.00 0.00 35.03 35.49 2otj n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2otj s GLY 76 N -1.46 1.56 0.38 0.72 0.00 -1.26 -4.72 107.32 102.54 2otj s GLY 76 Ca 0.16 -0.41 0.19 0.00 0.00 0.00 0.00 44.72 44.66 2otj s GLY 76 CO -0.08 0.20 1.67 0.00 0.00 0.00 0.00 173.10 174.89 2otj h ALA 77 N -1.84 2.20 0.00 3.20 0.00 -1.99 0.44 119.26 121.26 2otj h ALA 77 Ca -0.54 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2otj h ALA 77 Cb 1.33 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2otj h ALA 77 CO 0.59 -0.79 0.00 0.41 0.00 0.00 0.00 179.25 179.45 2otj n GLY 78 N -1.38 -0.71 0.00 0.00 0.00 -1.26 -3.07 105.19 98.78 2otj n GLY 78 Ca 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2otj n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2otj n SER 79 N -0.83 0.10 -4.78 1.61 7.64 0.15 -5.00 113.62 112.51 2otj n SER 79 Ca 0.11 -0.55 -0.39 0.00 1.01 0.00 0.00 58.87 59.05 2otj n SER 79 Cb 0.05 0.92 -0.06 0.00 -1.01 0.00 0.00 64.21 64.12 2otj n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2otj s ARG 80 N -0.96 4.36 -0.03 1.43 0.52 -1.17 -4.95 118.95 118.15 2otj s ARG 80 Ca 0.00 0.88 0.01 0.00 -0.52 0.00 0.00 55.73 56.10 2otj s ARG 80 Cb 0.00 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.15 2otj s ARG 80 CO 0.02 0.47 -0.02 1.17 0.02 0.00 0.00 175.30 176.95 2otj n LYS 81 N 2.23 0.95 -2.62 3.54 3.00 -1.26 -5.02 118.16 118.98 2otj n LYS 81 Ca -0.07 0.01 -0.28 0.00 -0.00 0.00 0.00 58.31 57.97 2otj n LYS 81 Cb 0.50 -1.07 -0.01 0.00 0.00 0.00 0.00 35.03 34.46 2otj n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2otj s GLY 82 N -4.09 1.62 0.99 3.14 0.00 -1.26 -5.06 107.32 102.66 2otj s GLY 82 Ca -0.04 -0.40 -0.11 0.00 0.00 0.00 0.00 44.72 44.17 2otj s GLY 82 CO 0.09 -0.22 1.09 1.25 0.00 0.00 0.00 173.10 175.31 2otj s LYS 83 N -4.56 0.49 0.11 2.90 2.47 -1.26 -4.74 119.74 115.14 2otj s LYS 83 Ca 0.49 1.12 -0.28 0.00 -1.56 0.00 0.00 55.97 55.73 2otj s LYS 83 Cb -0.10 -1.70 -0.10 0.00 -1.46 0.00 0.00 37.83 34.47 2otj s LYS 83 CO 0.42 -2.85 1.63 0.00 0.16 0.00 0.00 175.35 174.71 2otj h ALA 84 N -2.01 -0.52 0.00 3.13 0.00 -1.97 -1.57 119.26 116.32 2otj h ALA 84 Ca -0.51 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2otj h ALA 84 Cb 1.29 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2otj h ALA 84 CO 0.48 -0.84 0.00 0.41 0.00 0.00 0.00 179.25 179.30 2otj n GLY 85 N -1.40 -0.77 0.14 0.00 0.00 -1.26 -0.82 105.19 101.09 2otj n GLY 85 Ca -0.07 0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2otj n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otj h ALA 86 N 2.03 0.04 -0.20 4.61 0.00 -1.65 -3.25 119.26 120.83 2otj h ALA 86 Ca 0.00 -1.02 -0.13 0.00 0.00 0.00 0.00 54.91 53.75 2otj h ALA 86 Cb 0.02 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2otj h ALA 86 CO 0.00 0.86 -0.44 0.00 0.00 0.00 0.00 179.25 179.67 2otj h ARG 87 N 0.04 0.48 -2.95 0.00 3.08 -0.32 -3.42 114.38 111.29 2otj h ARG 87 Ca -0.30 -0.25 -0.27 0.00 0.07 0.00 0.00 59.98 59.22 2otj h ARG 87 Cb 2.06 0.01 -0.35 0.00 0.08 0.00 0.00 29.97 31.77 2otj h ARG 87 CO 0.19 0.83 -0.60 -1.14 -1.07 0.00 0.00 179.97 178.18 2otj s GLN 88 N -4.16 0.09 -0.13 0.04 0.74 -0.31 -5.12 119.66 110.81 2otj s GLN 88 Ca -0.07 0.58 -0.29 0.00 0.05 0.00 0.00 55.36 55.63 2otj s GLN 88 Cb 0.12 -0.31 -0.03 0.00 1.10 0.00 0.00 33.01 33.90 2otj s GLN 88 CO 0.81 -0.34 1.43 1.21 -0.55 0.00 0.00 175.29 177.86 2otj s ASN 89 N 2.34 6.79 0.12 6.67 3.04 -1.23 -4.14 114.94 128.53 2otj s ASN 89 Ca 0.03 1.87 -0.32 0.00 0.04 0.00 0.00 52.86 54.48 2otj s ASN 89 Cb -0.12 -2.54 -0.10 0.00 -1.54 0.00 0.00 41.25 36.95 2otj s ASN 89 CO -0.07 -0.87 1.56 -1.28 -3.04 0.00 0.00 177.10 173.40 2otj h SER 90 N 8.92 -1.57 -0.56 -4.21 0.87 -1.94 -0.93 113.55 114.12 2otj h SER 90 Ca -0.32 0.19 0.05 0.00 -1.23 0.00 0.00 61.79 60.49 2otj h SER 90 Cb 1.13 0.62 -0.05 0.00 -0.44 0.00 0.00 62.40 63.67 2otj h SER 90 CO 0.97 -0.47 0.29 0.50 -0.53 0.00 0.00 176.83 177.59 2otj h LYS 91 N -0.55 0.54 -0.68 2.24 3.11 -1.97 -1.66 116.57 117.59 2otj h LYS 91 Ca 0.05 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.83 2otj h LYS 91 Cb 0.67 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.74 2otj h LYS 91 CO -0.42 0.36 0.31 0.93 -2.81 0.00 0.00 179.45 177.82 2otj h GLU 92 N 0.56 0.97 -0.48 1.90 5.08 -1.89 -1.43 114.58 119.28 2otj h GLU 92 Ca 0.25 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 2otj h GLU 92 Cb 0.16 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2otj h GLU 92 CO -0.17 0.75 -0.10 0.22 -1.00 0.00 0.00 179.01 178.71 2otj h ASP 93 N 0.96 0.92 -0.69 1.42 3.58 -0.52 -0.80 116.42 121.29 2otj h ASP 93 Ca 0.23 -0.36 -0.04 0.00 0.42 0.00 0.00 57.03 57.28 2otj h ASP 93 Cb 0.11 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 2otj h ASP 93 CO -0.03 1.06 0.26 -0.25 -2.88 0.00 0.00 179.24 177.41 2otj h TRP 94 N 0.77 1.07 -0.39 0.28 2.91 -1.02 -0.90 115.95 118.68 2otj h TRP 94 Ca 0.12 -0.09 0.00 0.00 1.13 0.00 0.00 58.89 60.06 2otj h TRP 94 Cb 0.65 -0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 28.97 2otj h TRP 94 CO 0.05 0.84 0.24 0.93 -1.03 0.00 0.00 178.44 179.47 2otj h GLU 95 N 1.00 0.52 -0.04 2.65 5.08 -0.99 0.91 114.58 123.71 2otj h GLU 95 Ca 0.23 -0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.58 2otj h GLU 95 Cb 0.23 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2otj h GLU 95 CO -0.02 0.37 -0.18 1.03 -1.00 0.00 0.00 179.01 179.21 2otj h SER 96 N 0.51 -0.54 0.60 1.42 0.87 -0.76 -1.45 113.55 114.20 2otj h SER 96 Ca 0.14 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 2otj h SER 96 Cb -0.02 0.24 0.01 0.00 -0.44 0.00 0.00 62.40 62.18 2otj h SER 96 CO -0.03 -0.24 -0.29 0.03 -0.53 0.00 0.00 176.83 175.77 2otj h ARG 97 N -0.27 -0.78 -0.30 2.24 3.08 -0.87 -2.71 114.38 114.77 2otj h ARG 97 Ca 0.07 0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.26 2otj h ARG 97 Cb 0.37 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 2otj h ARG 97 CO -0.20 -0.52 0.26 0.97 -1.07 0.00 0.00 179.97 179.41 2otj h ILE 98 N -0.86 0.60 -0.26 2.04 -0.00 -0.84 0.47 117.51 118.67 2otj h ILE 98 Ca -0.08 0.00 -0.17 0.00 -0.00 0.00 0.00 64.86 64.61 2otj h ILE 98 Cb 0.62 0.80 0.00 0.00 -0.00 0.00 0.00 36.82 38.24 2otj h ILE 98 CO 0.14 0.00 -0.50 0.03 -0.00 0.00 0.00 178.15 177.81 2otj h ARG 99 N 0.00 0.79 -0.51 2.19 3.08 -1.22 -1.34 114.38 117.38 2otj h ARG 99 Ca 0.14 -0.51 -0.12 0.00 0.07 0.00 0.00 59.98 59.56 2otj h ARG 99 Cb 0.66 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2otj h ARG 99 CO -0.00 1.14 -0.15 0.00 -1.07 0.00 0.00 179.97 179.89 2otj h ALA 100 N 0.65 0.70 -0.03 0.04 0.00 -0.66 -0.14 119.26 119.81 2otj h ALA 100 Ca 0.01 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 2otj h ALA 100 Cb 1.11 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2otj h ALA 100 CO 0.11 0.64 -0.35 1.96 0.00 0.00 0.00 179.25 181.61 2otj h GLN 101 N 0.86 0.06 0.02 0.00 4.20 -0.97 -0.96 115.11 118.32 2otj h GLN 101 Ca 0.13 -0.02 -0.22 0.00 0.06 0.00 0.00 58.65 58.59 2otj h GLN 101 Cb 0.72 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 2otj h GLN 101 CO 0.06 0.41 -1.04 0.00 -0.67 0.00 0.00 178.83 177.59 2otj h ARG 102 N 0.06 0.05 -0.33 1.46 3.08 -0.96 -2.84 114.38 114.89 2otj h ARG 102 Ca 0.00 -0.09 -0.17 0.00 0.07 0.00 0.00 59.98 59.79 2otj h ARG 102 Cb 0.66 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 2otj h ARG 102 CO 0.05 1.03 -0.47 1.15 -1.07 0.00 0.00 179.97 180.66 2otj h THR 103 N 0.02 1.27 0.66 2.04 2.02 -0.66 -2.33 112.91 115.93 2otj h THR 103 Ca -0.03 -1.65 -0.03 0.00 0.77 0.00 0.00 66.41 65.46 2otj h THR 103 Cb 1.79 1.51 0.01 0.00 -1.74 0.00 0.00 68.15 69.72 2otj h THR 103 CO 0.14 0.54 -0.32 0.50 0.37 0.00 0.00 175.52 176.76 2otj h LYS 104 N 0.70 -0.85 -0.02 6.66 1.63 -1.22 -1.41 116.57 122.06 2otj h LYS 104 Ca 0.04 0.06 0.01 0.00 -0.85 0.00 0.00 60.65 59.90 2otj h LYS 104 Cb 1.07 0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2otj h LYS 104 CO 0.11 -0.57 0.03 -0.07 -3.45 0.00 0.00 179.45 175.50 2otj h LEU 105 N -0.89 0.00 -0.23 5.20 3.38 -1.54 -0.22 115.31 121.01 2otj h LEU 105 Ca -0.09 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.68 2otj h LEU 105 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2otj h LEU 105 CO 0.15 0.00 -0.91 -0.09 0.09 0.00 0.00 178.44 177.68 2otj h ARG 106 N 0.00 0.14 -0.00 1.13 2.43 -0.88 -2.98 114.38 114.22 2otj h ARG 106 Ca 0.01 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2otj h ARG 106 Cb 0.06 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2otj h ARG 106 CO -0.00 0.95 -0.02 0.93 -1.51 0.00 0.00 179.97 180.33 2otj h GLU 107 N 0.07 0.02 -0.01 0.20 5.08 0.02 -3.12 114.58 116.84 2otj h GLU 107 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2otj h GLU 107 Cb 1.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.81 2otj h GLU 107 CO 0.13 0.69 0.03 -0.07 -1.00 0.00 0.00 179.01 178.80 2otj h LEU 108 N -0.66 0.00 0.08 1.33 3.38 -1.43 -1.08 115.31 116.93 2otj h LEU 108 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2otj h LEU 108 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2otj h LEU 108 CO 0.00 0.00 -0.04 -0.09 0.09 0.00 0.00 178.44 178.41 2otj h ARG 109 N 0.00 -0.10 -0.51 1.13 2.43 -1.49 -1.17 114.38 114.66 2otj h ARG 109 Ca 0.00 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2otj h ARG 109 Cb 0.06 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2otj h ARG 109 CO -0.00 0.43 0.17 -0.44 -1.51 0.00 0.00 179.97 178.62 2otj h ASP 110 N -0.91 0.69 0.45 -3.80 3.32 -1.39 -0.22 116.42 114.56 2otj h ASP 110 Ca -0.01 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.94 2otj h ASP 110 Cb 0.57 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2otj h ASP 110 CO 0.02 0.65 0.00 1.21 -1.72 0.00 0.00 179.24 179.40 2otj n GLU 111 N -4.32 0.15 0.00 3.56 2.13 -0.45 -4.88 120.64 116.83 2otj n GLU 111 Ca 0.04 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.34 2otj n GLU 111 Cb 0.18 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 30.05 2otj n GLU 111 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2otj n GLY 112 N -0.48 2.67 0.40 8.31 0.00 -0.09 -4.91 105.19 111.09 2otj n GLY 112 Ca 0.01 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.22 2otj n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2otj h THR 113 N 0.00 0.70 -4.14 2.61 2.02 -1.47 -3.41 112.91 109.23 2otj h THR 113 Ca 0.00 -0.11 -0.66 0.00 0.77 0.00 0.00 66.41 66.41 2otj h THR 113 Cb 0.00 0.36 -0.31 0.00 -1.74 0.00 0.00 68.15 66.46 2otj h THR 113 CO 0.00 0.06 -0.88 -0.76 0.37 0.00 0.00 175.52 174.31 2otj s LEU 114 N -9.22 2.04 0.37 2.58 1.43 -0.59 -5.01 118.68 110.28 2otj s LEU 114 Ca -0.07 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.40 2otj s LEU 114 Cb 0.22 -1.28 -0.09 0.00 0.03 0.00 0.00 46.19 45.07 2otj s LEU 114 CO 0.77 0.24 0.81 -0.94 0.23 0.00 0.00 176.35 177.47 2otj s SER 115 N -0.24 6.79 -0.66 2.29 1.04 -1.26 -4.50 113.70 117.16 2otj s SER 115 Ca -0.00 1.39 -0.08 0.00 0.48 0.00 0.00 55.95 57.74 2otj s SER 115 Cb -0.12 -2.42 -0.07 0.00 0.10 0.00 0.00 66.02 63.50 2otj s SER 115 CO 0.02 -0.28 1.82 -1.54 0.98 0.00 0.00 173.24 174.24 2otj n SER 116 N -0.59 3.31 0.00 7.02 3.41 -1.26 -0.77 113.62 124.74 2otj n SER 116 Ca 0.05 -2.32 0.00 0.00 -0.26 0.00 0.00 58.87 56.33 2otj n SER 116 Cb 0.53 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 2otj n SER 116 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2otj n SER 117 N 5.16 0.00 -0.04 4.04 3.41 -1.26 -4.73 113.62 120.19 2otj n SER 117 Ca 0.36 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.81 2otj n SER 117 Cb 0.16 0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.13 2otj n SER 117 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2otj h GLN 118 N 0.00 0.71 -0.20 4.33 4.20 -1.32 -0.45 115.11 122.39 2otj h GLN 118 Ca 0.00 -0.53 0.03 0.00 0.06 0.00 0.00 58.65 58.21 2otj h GLN 118 Cb 0.00 0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 2otj h GLN 118 CO 0.00 1.15 0.01 -0.92 -0.67 0.00 0.00 178.83 178.40 2otj h TYR 119 N 0.41 0.02 0.24 2.96 3.20 -1.52 -0.45 116.97 121.82 2otj h TYR 119 Ca -0.02 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2otj h TYR 119 Cb 1.21 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.49 2otj h TYR 119 CO 0.09 -0.01 -0.22 -0.09 -1.64 0.00 0.00 178.16 176.29 2otj h ARG 120 N 0.08 -0.46 -0.97 1.82 9.65 -1.75 0.26 114.38 123.00 2otj h ARG 120 Ca 0.09 0.03 0.15 0.00 -1.10 0.00 0.00 59.98 59.16 2otj h ARG 120 Cb 0.10 0.11 -0.09 0.00 -1.39 0.00 0.00 29.97 28.70 2otj h ARG 120 CO -0.14 -0.31 0.61 0.22 2.80 0.00 0.00 179.97 183.15 2otj h ASP 121 N -0.48 0.79 0.02 -3.80 1.82 -0.77 -0.80 116.42 113.21 2otj h ASP 121 Ca -0.01 0.06 -0.15 0.00 -0.39 0.00 0.00 57.03 56.54 2otj h ASP 121 Cb 0.44 -0.09 0.01 0.00 0.68 0.00 0.00 39.33 40.37 2otj h ASP 121 CO -0.04 0.37 -0.61 -0.07 -1.61 0.00 0.00 179.24 177.28 2otj h LEU 122 N 0.82 0.49 -0.07 2.28 3.38 -0.65 -2.85 115.31 118.72 2otj h LEU 122 Ca 0.51 -0.79 0.04 0.00 0.09 0.00 0.00 57.88 57.72 2otj h LEU 122 Cb 0.72 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 2otj h LEU 122 CO -0.28 1.23 -0.18 0.22 0.09 0.00 0.00 178.44 179.51 2otj h TYR 123 N -0.18 -0.48 -0.53 1.13 3.20 0.03 0.23 116.97 120.37 2otj h TYR 123 Ca -0.08 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.84 2otj h TYR 123 Cb 1.34 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.81 2otj h TYR 123 CO 0.16 -0.26 0.35 -0.44 -1.64 0.00 0.00 178.16 176.33 2otj h ASP 124 N -0.26 0.53 0.07 -2.11 3.32 -1.27 -0.11 116.42 116.58 2otj h ASP 124 Ca 0.08 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.95 2otj h ASP 124 Cb 0.37 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.79 2otj h ASP 124 CO -0.22 0.37 -0.60 0.11 -1.72 0.00 0.00 179.24 177.18 2otj h LYS 125 N 0.62 0.53 -0.32 3.56 1.57 -0.95 -2.10 116.57 119.49 2otj h LYS 125 Ca 0.21 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 2otj h LYS 125 Cb 0.06 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2otj h LYS 125 CO -0.05 0.97 0.02 0.00 -0.57 0.00 0.00 179.45 179.83 2otj h ALA 126 N 0.94 0.42 0.00 3.86 0.00 0.33 -0.95 119.26 123.87 2otj h ALA 126 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2otj h ALA 126 Cb 1.15 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2otj h ALA 126 CO 0.11 0.15 -0.04 0.78 0.00 0.00 0.00 179.25 180.25 2otj h GLY 127 N 0.35 0.00 -0.18 0.00 0.00 -0.97 0.35 103.07 102.62 2otj h GLY 127 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2otj h GLY 127 CO 0.01 0.00 -0.05 0.61 0.00 0.00 0.00 176.54 177.11 2otj n GLY 128 N -0.81 -0.22 2.39 4.60 0.00 -0.80 -4.94 105.19 105.42 2otj n GLY 128 Ca -0.02 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 2otj n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2otj n GLY 129 N 1.20 -0.04 0.10 -0.02 0.00 0.12 -4.96 105.19 101.58 2otj n GLY 129 Ca 0.18 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.17 2otj n GLY 129 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2otj n GLU 130 N -2.75 0.62 -4.60 1.61 -0.58 -0.42 -4.86 120.64 109.65 2otj n GLU 130 Ca -0.15 0.12 -0.33 0.00 -0.42 0.00 0.00 57.16 56.37 2otj n GLU 130 Cb 0.59 -1.79 -0.15 0.00 -0.57 0.00 0.00 31.44 29.53 2otj n GLU 130 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2otj s PHE 131 N -3.25 2.80 0.10 -0.32 0.40 -1.26 -5.02 117.98 111.44 2otj s PHE 131 Ca -0.02 -0.86 -0.18 0.00 -0.60 0.00 0.00 56.93 55.28 2otj s PHE 131 Cb 0.10 -1.88 -0.06 0.00 0.51 0.00 0.00 43.02 41.69 2otj s PHE 131 CO 0.81 -0.36 1.57 -0.44 0.70 0.00 0.00 175.22 177.50 2otj h ASP 132 N 7.10 0.47 -1.94 1.36 3.32 -1.89 -3.47 116.42 121.35 2otj h ASP 132 Ca -0.30 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 56.47 2otj h ASP 132 Cb 1.20 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 2otj h ASP 132 CO 0.56 0.61 -0.02 -1.54 -1.72 0.00 0.00 179.24 177.14 2otj n SER 133 N -4.63 -0.04 0.04 6.45 3.41 -1.26 -5.01 113.62 112.57 2otj n SER 133 Ca -0.02 -1.09 -0.13 0.00 -0.26 0.00 0.00 58.87 57.36 2otj n SER 133 Cb 0.21 0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 64.17 2otj n SER 133 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2otj h VAL 134 N 1.05 1.14 -1.01 -3.33 2.07 -1.92 -2.44 116.25 111.80 2otj h VAL 134 Ca -0.01 -0.95 0.17 0.00 0.82 0.00 0.00 66.70 66.73 2otj h VAL 134 Cb 0.05 1.73 -0.10 0.00 -1.52 0.00 0.00 31.29 31.46 2otj h VAL 134 CO 0.02 0.23 0.62 0.00 0.02 0.00 0.00 177.57 178.45 2otj h ALA 135 N 0.27 1.63 0.00 1.67 0.00 -1.99 0.39 119.26 121.24 2otj h ALA 135 Ca -0.01 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2otj h ALA 135 Cb 0.47 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2otj h ALA 135 CO 0.02 0.03 -0.37 0.22 0.00 0.00 0.00 179.25 179.15 2otj h ASP 136 N 0.83 0.00 0.06 0.00 3.58 -1.95 -1.14 116.42 117.81 2otj h ASP 136 Ca 0.56 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 58.01 2otj h ASP 136 Cb 0.79 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.84 2otj h ASP 136 CO -0.35 0.37 -0.03 0.25 -2.88 0.00 0.00 179.24 176.60 2otj h LEU 137 N 0.00 -0.07 -0.47 2.28 5.85 0.17 -2.85 115.31 120.22 2otj h LEU 137 Ca -0.00 -0.52 0.05 0.00 0.84 0.00 0.00 57.88 58.24 2otj h LEU 137 Cb 0.87 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 2otj h LEU 137 CO 0.05 0.53 0.22 -0.33 -0.34 0.00 0.00 178.44 178.56 2otj h GLU 138 N -0.70 0.42 -0.98 1.25 5.08 -0.81 -0.20 114.58 118.64 2otj h GLU 138 Ca -0.01 -0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.47 2otj h GLU 138 Cb 0.59 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.66 2otj h GLU 138 CO 0.01 0.28 0.61 0.00 -1.00 0.00 0.00 179.01 178.91 2otj h ARG 139 N 0.43 0.83 -0.14 2.33 3.08 -1.25 0.96 114.38 120.63 2otj h ARG 139 Ca 0.21 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 2otj h ARG 139 Cb 0.15 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2otj h ARG 139 CO -0.17 0.55 -0.19 -0.92 -1.07 0.00 0.00 179.97 178.18 2otj h TYR 140 N 0.86 0.45 -0.43 3.04 3.20 -1.03 -3.21 116.97 119.84 2otj h TYR 140 Ca 0.50 -0.15 0.07 0.00 3.14 0.00 0.00 58.73 62.30 2otj h TYR 140 Cb 0.65 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 38.77 2otj h TYR 140 CO -0.00 0.80 0.07 0.82 -1.64 0.00 0.00 178.16 178.21 2otj h ILE 141 N -0.02 0.75 0.00 1.81 2.04 0.28 -2.75 117.51 119.62 2otj h ILE 141 Ca 0.02 -0.07 -0.12 0.00 1.00 0.00 0.00 64.86 65.69 2otj h ILE 141 Cb 0.74 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 2otj h ILE 141 CO 0.04 0.04 0.12 0.47 0.00 0.00 0.00 178.15 178.82 2otj n ASP 142 N -5.12 2.99 0.00 1.72 8.00 0.20 -5.10 116.55 119.25 2otj n ASP 142 Ca 0.04 -2.06 0.00 0.00 0.71 0.00 0.00 54.79 53.48 2otj n ASP 142 Cb 0.21 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 2otj n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81