#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2r s ASN 16 N 0.00 6.30 0.41 1.45 3.84 -1.26 -4.89 114.94 120.80 1j2r s ASN 16 Ca 0.00 -1.08 0.09 0.00 0.21 0.00 0.00 52.86 52.08 1j2r s ASN 16 Cb 0.00 -2.49 0.89 0.00 -0.55 0.00 0.00 41.25 39.11 1j2r s ASN 16 CO 0.00 -1.52 2.02 0.00 -2.79 0.00 0.00 177.10 174.81 1j2r h ALA 17 N 9.64 1.80 0.00 1.71 0.00 -1.96 -2.08 119.26 128.37 1j2r h ALA 17 Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1j2r h ALA 17 Cb 1.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1j2r h ALA 17 CO 1.25 0.13 0.00 0.36 0.00 0.00 0.00 179.25 180.98 1j2r n LYS 18 N -4.47 0.15 -0.73 0.00 2.85 -1.26 -2.22 118.16 112.47 1j2r n LYS 18 Ca 0.06 0.49 0.06 0.00 -1.05 0.00 0.00 58.31 57.87 1j2r n LYS 18 Cb 0.18 -1.85 0.16 0.00 -0.65 0.00 0.00 35.03 32.87 1j2r n LYS 18 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1j2r n THR 19 N -2.15 1.70 -4.73 0.58 -2.24 -0.79 -4.93 114.28 101.73 1j2r n THR 19 Ca 0.01 -2.65 -0.32 0.00 -2.27 0.00 0.00 64.05 58.81 1j2r n THR 19 Cb 0.15 0.02 -0.12 0.00 -2.10 0.00 0.00 70.33 68.27 1j2r n THR 19 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1j2r s THR 20 N -2.50 3.20 0.18 4.28 2.01 -0.94 -0.67 115.64 121.19 1j2r s THR 20 Ca 0.36 -0.80 0.09 0.00 0.31 0.00 0.00 61.69 61.65 1j2r s THR 20 Cb 0.36 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1j2r s THR 20 CO -0.08 0.50 -0.19 0.00 -0.69 0.00 0.00 174.62 174.16 1j2r s ALA 21 N -0.84 2.15 -0.17 7.40 0.00 -0.06 -4.21 121.76 126.04 1j2r s ALA 21 Ca 0.13 -1.55 -0.06 0.00 0.00 0.00 0.00 51.96 50.49 1j2r s ALA 21 Cb -0.11 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1j2r s ALA 21 CO 0.03 0.27 0.02 -1.17 0.00 0.00 0.00 175.76 174.91 1j2r s LEU 22 N -2.74 3.60 -0.19 0.00 2.96 -0.45 -0.82 118.68 121.05 1j2r s LEU 22 Ca 0.18 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 1j2r s LEU 22 Cb -0.06 -1.89 0.03 0.00 0.50 0.00 0.00 46.19 44.77 1j2r s LEU 22 CO 0.08 0.18 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.44 1j2r s VAL 23 N 0.29 1.94 -0.32 1.68 1.01 0.26 -0.42 120.40 124.84 1j2r s VAL 23 Ca 0.01 -1.01 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 1j2r s VAL 23 Cb -0.13 -1.84 0.04 0.00 0.00 0.00 0.00 36.38 34.44 1j2r s VAL 23 CO 0.01 0.39 0.08 -0.69 0.00 0.00 0.00 175.10 174.89 1j2r s VAL 24 N 1.31 3.63 -0.39 2.92 1.01 -0.12 -1.85 120.40 126.91 1j2r s VAL 24 Ca 0.02 -1.12 -0.21 0.00 0.00 0.00 0.00 61.98 60.67 1j2r s VAL 24 Cb -0.14 -3.03 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1j2r s VAL 24 CO -0.11 -0.12 0.66 -0.63 0.00 0.00 0.00 175.10 174.90 1j2r s ILE 25 N 1.38 4.84 -1.27 2.22 -1.09 0.17 -1.02 121.20 126.44 1j2r s ILE 25 Ca -0.02 0.43 -0.08 0.00 -2.23 0.00 0.00 60.65 58.75 1j2r s ILE 25 Cb -0.19 -4.15 0.01 0.00 -1.58 0.00 0.00 42.46 36.55 1j2r s ILE 25 CO 0.02 -0.45 1.00 0.47 -1.23 0.00 0.00 174.94 174.75 1j2r n ASP 26 N 6.19 -5.97 -4.50 3.58 8.00 0.15 -1.69 116.55 122.32 1j2r n ASP 26 Ca -0.01 -0.45 -0.43 0.00 0.71 0.00 0.00 54.79 54.60 1j2r n ASP 26 Cb 0.48 -4.62 -0.01 0.00 -0.02 0.00 0.00 41.12 36.95 1j2r n ASP 26 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1j2r s LEU 27 N -6.65 4.60 0.01 0.64 1.43 -1.26 -4.68 118.68 112.78 1j2r s LEU 27 Ca 0.49 -2.44 -0.04 0.00 -1.03 0.00 0.00 54.13 51.11 1j2r s LEU 27 Cb -0.22 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.54 1j2r s LEU 27 CO 0.61 -1.01 0.07 0.00 0.23 0.00 0.00 176.35 176.24 1j2r s GLN 28 N 2.85 0.41 0.47 1.70 -2.07 -1.26 -4.20 119.66 117.56 1j2r s GLN 28 Ca 0.43 -0.48 0.12 0.00 -1.82 0.00 0.00 55.36 53.60 1j2r s GLN 28 Cb -0.02 0.16 1.08 0.00 -1.09 0.00 0.00 33.01 33.14 1j2r s GLN 28 CO -0.02 -0.09 2.11 0.93 -1.32 0.00 0.00 175.29 176.90 1j2r h GLU 29 N 4.45 0.24 -0.10 9.60 4.39 -0.89 -1.37 114.58 130.91 1j2r h GLU 29 Ca -0.31 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 1j2r h GLU 29 Cb 1.20 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1j2r h GLU 29 CO 0.41 0.17 0.01 0.78 -1.16 0.00 0.00 179.01 179.22 1j2r h GLY 30 N 0.26 0.14 0.48 -3.84 0.00 -1.38 -3.20 103.07 95.53 1j2r h GLY 30 Ca 0.07 -0.06 -0.27 0.00 0.00 0.00 0.00 47.33 47.07 1j2r h GLY 30 CO -0.01 0.06 -1.96 1.39 0.00 0.00 0.00 176.54 176.02 1j2r n ILE 31 N -4.47 1.27 -0.31 2.60 2.08 -0.54 -4.47 119.36 115.52 1j2r n ILE 31 Ca -0.01 -0.77 0.14 0.00 0.56 0.00 0.00 62.75 62.66 1j2r n ILE 31 Cb 0.12 -0.63 0.37 0.00 -0.75 0.00 0.00 39.64 38.75 1j2r n ILE 31 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1j2r h LEU 32 N 0.00 0.68 -2.93 1.39 3.38 -1.47 -0.38 115.31 115.97 1j2r h LEU 32 Ca -0.34 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1j2r h LEU 32 Cb 1.92 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.61 1j2r h LEU 32 CO 0.04 0.29 0.01 -0.65 0.09 0.00 0.00 178.44 178.22 1j2r h PRO 33 N 0.69 0.00 -0.00 1.13 0.11 -1.78 -2.05 132.00 130.10 1j2r h PRO 33 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1j2r h PRO 33 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 1j2r h PRO 33 CO -0.27 0.00 -0.01 1.19 -0.21 0.00 0.00 178.00 178.69 1j2r n PHE 34 N -3.06 0.00 -2.53 0.65 3.01 -0.15 -4.61 117.46 110.78 1j2r n PHE 34 Ca -0.03 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.03 1j2r n PHE 34 Cb 0.08 -0.32 -0.03 0.00 -0.01 0.00 0.00 39.48 39.20 1j2r n PHE 34 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1j2r s ALA 35 N -2.65 2.74 0.03 4.37 0.00 -0.77 -3.84 121.76 121.63 1j2r s ALA 35 Ca 0.26 -2.32 0.10 0.00 0.00 0.00 0.00 51.96 49.99 1j2r s ALA 35 Cb 0.20 -4.55 -0.17 0.00 0.00 0.00 0.00 23.12 18.59 1j2r s ALA 35 CO 0.48 -3.66 1.13 0.78 0.00 0.00 0.00 175.76 174.49 1j2r h GLY 36 N 13.12 0.00 0.00 0.00 0.00 -0.71 -3.42 103.07 112.07 1j2r h GLY 36 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1j2r h GLY 36 CO 1.42 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.57 1j2r n GLY 37 N 1.38 1.24 0.14 4.60 0.00 -0.54 -4.75 105.19 107.26 1j2r n GLY 37 Ca -0.04 -0.84 0.04 0.00 0.00 0.00 0.00 46.02 45.18 1j2r n GLY 37 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j2r h PRO 38 N 0.00 0.00 -6.13 1.61 0.13 -1.84 -0.69 132.00 125.08 1j2r h PRO 38 Ca 0.00 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.54 1j2r h PRO 38 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1j2r h PRO 38 CO 0.00 0.31 -0.34 -1.01 -0.23 0.00 0.00 178.00 176.73 1j2r s HIS 39 N -3.03 3.48 0.68 1.56 3.76 -1.26 -5.02 115.29 115.45 1j2r s HIS 39 Ca 0.02 0.51 -0.11 0.00 -0.15 0.00 0.00 55.06 55.33 1j2r s HIS 39 Cb 0.08 -1.97 -0.00 0.00 1.11 0.00 0.00 32.58 31.80 1j2r s HIS 39 CO 0.76 0.46 1.05 0.95 -0.85 0.00 0.00 174.74 177.11 1j2r s THR 40 N -1.63 4.17 0.23 1.30 -4.23 -1.26 -4.78 115.64 109.43 1j2r s THR 40 Ca 0.40 0.70 -0.07 0.00 -1.18 0.00 0.00 61.69 61.54 1j2r s THR 40 Cb -0.12 -3.50 0.19 0.00 1.34 0.00 0.00 72.50 70.40 1j2r s THR 40 CO 0.25 -0.92 1.83 0.00 -0.54 0.00 0.00 174.62 175.24 1j2r h ALA 41 N -0.63 1.06 -0.73 3.99 0.00 -1.85 -1.02 119.26 120.08 1j2r h ALA 41 Ca -0.44 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 1j2r h ALA 41 Cb 1.21 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1j2r h ALA 41 CO 0.58 0.17 0.22 -0.44 0.00 0.00 0.00 179.25 179.78 1j2r h ASP 42 N 0.84 1.06 -0.11 0.00 3.32 -1.96 -0.60 116.42 118.98 1j2r h ASP 42 Ca 0.35 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1j2r h ASP 42 Cb 0.19 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 1j2r h ASP 42 CO -0.18 0.98 0.05 -0.33 -1.72 0.00 0.00 179.24 178.04 1j2r h GLU 43 N 1.08 0.15 -0.52 3.56 5.08 -1.81 -0.39 114.58 121.73 1j2r h GLU 43 Ca 0.24 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.62 1j2r h GLU 43 Cb 0.31 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1j2r h GLU 43 CO -0.01 0.23 0.27 0.28 -1.00 0.00 0.00 179.01 178.79 1j2r h VAL 44 N 0.04 0.96 -0.18 3.13 2.07 -0.91 -0.46 116.25 120.90 1j2r h VAL 44 Ca 0.04 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1j2r h VAL 44 Cb 0.13 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1j2r h VAL 44 CO -0.00 0.10 0.03 0.58 0.02 0.00 0.00 177.57 178.30 1j2r h VAL 45 N 0.52 1.22 -0.58 2.57 2.07 -1.03 -0.13 116.25 120.89 1j2r h VAL 45 Ca 0.23 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1j2r h VAL 45 Cb 0.13 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1j2r h VAL 45 CO -0.16 0.21 0.36 -1.13 0.02 0.00 0.00 177.57 176.88 1j2r h ASN 46 N 0.09 0.69 -0.25 0.57 -1.24 -0.85 -0.63 115.58 113.96 1j2r h ASN 46 Ca 0.06 -0.05 -0.20 0.00 0.71 0.00 0.00 56.30 56.82 1j2r h ASN 46 Cb 0.30 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 39.17 1j2r h ASN 46 CO 0.00 0.53 -0.61 0.03 -1.29 0.00 0.00 177.43 176.10 1j2r h ARG 47 N 0.79 0.86 -0.85 6.67 3.08 -1.02 -1.11 114.38 122.81 1j2r h ARG 47 Ca 0.21 -0.59 0.02 0.00 0.07 0.00 0.00 59.98 59.69 1j2r h ARG 47 Cb -0.04 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1j2r h ARG 47 CO -0.04 1.22 0.56 0.00 -1.07 0.00 0.00 179.97 180.63 1j2r h ALA 48 N 0.65 1.43 -0.67 0.04 0.00 -0.93 -0.77 119.26 119.02 1j2r h ALA 48 Ca -0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1j2r h ALA 48 Cb 1.23 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1j2r h ALA 48 CO 0.13 0.51 0.18 0.78 0.00 0.00 0.00 179.25 180.85 1j2r h GLY 49 N 1.11 1.13 0.89 0.00 0.00 -0.67 0.05 103.07 105.58 1j2r h GLY 49 Ca 0.32 -0.68 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 1j2r h GLY 49 CO -0.08 0.63 -0.07 0.50 0.00 0.00 0.00 176.54 177.52 1j2r h LYS 50 N 1.00 0.57 -0.42 4.80 1.57 -0.68 -1.55 116.57 121.85 1j2r h LYS 50 Ca 0.22 -0.22 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1j2r h LYS 50 Cb 0.33 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 1j2r h LYS 50 CO -0.00 0.76 0.16 -0.07 -0.57 0.00 0.00 179.45 179.73 1j2r h LEU 51 N 0.34 0.18 -0.67 2.94 3.38 -1.02 -2.44 115.31 118.01 1j2r h LEU 51 Ca 0.08 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1j2r h LEU 51 Cb 0.55 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1j2r h LEU 51 CO 0.03 0.14 0.38 0.00 0.09 0.00 0.00 178.44 179.08 1j2r h ALA 52 N 1.27 0.86 -0.96 1.53 0.00 -0.81 -0.88 119.26 120.28 1j2r h ALA 52 Ca 0.20 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1j2r h ALA 52 Cb 0.17 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1j2r h ALA 52 CO -0.19 0.37 0.62 0.00 0.00 0.00 0.00 179.25 180.05 1j2r h ALA 53 N 1.19 1.29 -0.43 0.00 0.00 -1.08 -0.24 119.26 119.98 1j2r h ALA 53 Ca 0.24 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1j2r h ALA 53 Cb 0.02 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1j2r h ALA 53 CO -0.04 0.64 0.07 -0.22 0.00 0.00 0.00 179.25 179.70 1j2r h LYS 54 N 1.30 0.72 -0.51 0.00 1.63 -0.87 -2.14 116.57 116.70 1j2r h LYS 54 Ca 0.35 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1j2r h LYS 54 Cb -0.13 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 31.39 1j2r h LYS 54 CO -0.07 0.75 0.33 0.74 -3.45 0.00 0.00 179.45 177.75 1j2r h PHE 55 N 0.57 0.66 -0.39 1.91 -1.00 -0.69 -2.84 116.94 115.16 1j2r h PHE 55 Ca 0.13 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.85 1j2r h PHE 55 Cb 0.38 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 1j2r h PHE 55 CO 0.03 0.42 -0.04 0.00 -1.61 0.00 0.00 178.31 177.11 1j2r h ARG 56 N 0.70 0.63 0.00 1.51 3.08 -0.90 -1.04 114.38 118.36 1j2r h ARG 56 Ca 0.19 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1j2r h ARG 56 Cb -0.06 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 1j2r h ARG 56 CO -0.04 0.68 -0.12 0.00 -1.07 0.00 0.00 179.97 179.42 1j2r h ALA 57 N 1.36 1.26 -0.40 0.04 0.00 -1.15 -2.08 119.26 118.29 1j2r h ALA 57 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j2r h ALA 57 Cb 0.44 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1j2r h ALA 57 CO 0.02 0.15 0.00 -1.13 0.00 0.00 0.00 179.25 178.29 1j2r n SER 58 N -3.61 3.88 -1.39 0.00 3.41 -0.80 -4.97 113.62 110.13 1j2r n SER 58 Ca -0.02 -2.53 -0.15 0.00 -0.26 0.00 0.00 58.87 55.91 1j2r n SER 58 Cb 0.25 -0.46 -0.04 0.00 -0.26 0.00 0.00 64.21 63.70 1j2r n SER 58 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1j2r n GLY 59 N 0.30 0.85 3.86 5.00 0.00 -0.78 -4.97 105.19 109.45 1j2r n GLY 59 Ca 0.20 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1j2r n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j2r s GLN 60 N -3.86 3.77 0.42 1.61 -1.52 -0.46 -5.01 119.66 114.60 1j2r s GLN 60 Ca 0.00 0.22 -0.25 0.00 -1.95 0.00 0.00 55.36 53.37 1j2r s GLN 60 Cb 0.00 -3.12 -0.08 0.00 -0.22 0.00 0.00 33.01 29.58 1j2r s GLN 60 CO 0.00 0.65 1.27 -1.25 -0.25 0.00 0.00 175.29 175.71 1j2r s PRO 61 N -1.43 3.90 -0.20 2.91 0.04 -1.26 -4.27 135.00 134.69 1j2r s PRO 61 Ca 0.26 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1j2r s PRO 61 Cb -0.15 -2.67 0.02 0.00 0.04 0.00 0.00 34.50 31.74 1j2r s PRO 61 CO 0.14 -0.52 -0.15 0.08 0.04 0.00 0.00 177.00 176.59 1j2r s VAL 62 N -1.32 2.40 -0.25 -0.36 1.01 -1.26 -1.34 120.40 119.28 1j2r s VAL 62 Ca 0.59 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 1j2r s VAL 62 Cb -0.36 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 1j2r s VAL 62 CO 0.45 0.42 0.08 -0.36 0.00 0.00 0.00 175.10 175.70 1j2r s PHE 63 N 1.31 3.11 -0.37 5.22 0.40 0.44 -0.34 117.98 127.76 1j2r s PHE 63 Ca 0.03 -0.31 -0.08 0.00 -0.60 0.00 0.00 56.93 55.97 1j2r s PHE 63 Cb -0.14 -2.24 0.05 0.00 0.51 0.00 0.00 43.02 41.20 1j2r s PHE 63 CO -0.10 -0.29 0.17 -0.51 0.70 0.00 0.00 175.22 175.19 1j2r s LEU 64 N 1.52 4.64 -0.07 -0.37 1.43 -0.21 -0.95 118.68 124.69 1j2r s LEU 64 Ca 0.06 -1.25 -0.12 0.00 -1.03 0.00 0.00 54.13 51.78 1j2r s LEU 64 Cb -0.15 -1.92 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1j2r s LEU 64 CO 0.04 -0.40 0.31 -0.69 0.23 0.00 0.00 176.35 175.84 1j2r s VAL 65 N 1.42 5.23 0.10 -1.59 1.01 -0.19 -1.21 120.40 125.17 1j2r s VAL 65 Ca 0.01 0.60 0.04 0.00 0.00 0.00 0.00 61.98 62.62 1j2r s VAL 65 Cb -0.20 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 1j2r s VAL 65 CO 0.03 0.55 -0.10 -0.13 0.00 0.00 0.00 175.10 175.45 1j2r s ARG 66 N -0.72 0.84 0.05 2.72 0.52 -0.09 -0.67 118.95 121.60 1j2r s ARG 66 Ca 0.20 -1.15 0.09 0.00 -0.52 0.00 0.00 55.73 54.34 1j2r s ARG 66 Cb -0.15 -0.53 -0.03 0.00 0.52 0.00 0.00 34.95 34.77 1j2r s ARG 66 CO 0.09 0.08 -0.26 0.54 0.02 0.00 0.00 175.30 175.77 1j2r s VAL 67 N -2.44 2.09 -4.03 3.52 0.11 -1.26 -0.81 120.40 117.58 1j2r s VAL 67 Ca 0.05 -1.41 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 1j2r s VAL 67 Cb -0.03 -1.80 0.00 0.00 -1.53 0.00 0.00 36.38 33.02 1j2r s VAL 67 CO -0.00 0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.70 1j2r n GLY 68 N 1.69 -2.14 3.20 6.54 0.00 -1.07 -4.94 105.19 108.46 1j2r n GLY 68 Ca -0.17 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 1j2r n GLY 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1j2r s TRP 69 N -2.37 0.07 1.02 1.61 0.51 -1.26 -4.57 118.94 113.95 1j2r s TRP 69 Ca 0.00 -0.37 -0.12 0.00 -2.12 0.00 0.00 56.10 53.49 1j2r s TRP 69 Cb 0.00 -0.02 0.20 0.00 -0.81 0.00 0.00 33.47 32.83 1j2r s TRP 69 CO 0.00 -0.49 1.08 -1.12 -0.51 0.00 0.00 176.95 175.91 1j2r s SER 70 N -2.40 2.37 0.46 2.95 0.01 -1.26 -4.87 113.70 110.97 1j2r s SER 70 Ca -0.01 1.43 0.17 0.00 1.31 0.00 0.00 55.95 58.85 1j2r s SER 70 Cb 0.01 -2.11 1.14 0.00 0.21 0.00 0.00 66.02 65.27 1j2r s SER 70 CO -0.07 -3.32 1.99 0.00 0.41 0.00 0.00 173.24 172.25 1j2r h ALA 71 N -2.02 2.15 -0.04 1.44 0.00 -2.01 0.37 119.26 119.16 1j2r h ALA 71 Ca -0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1j2r h ALA 71 Cb 1.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1j2r h ALA 71 CO 0.54 -0.29 0.00 -0.40 0.00 0.00 0.00 179.25 179.09 1j2r n ASP 72 N -4.45 0.78 -2.17 0.00 5.68 -1.26 -4.92 116.55 110.20 1j2r n ASP 72 Ca 0.10 -1.37 -0.15 0.00 -0.50 0.00 0.00 54.79 52.87 1j2r n ASP 72 Cb 0.44 -0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.37 1j2r n ASP 72 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1j2r n TYR 73 N -0.35 -1.01 0.13 2.11 4.01 0.12 -4.86 117.16 117.31 1j2r n TYR 73 Ca 0.19 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.97 1j2r n TYR 73 Cb 0.22 -3.09 0.46 0.00 -0.31 0.00 0.00 39.34 36.62 1j2r n TYR 73 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1j2r h ALA 74 N 0.88 1.68 -0.01 -0.72 0.00 -1.92 -2.25 119.26 116.93 1j2r h ALA 74 Ca -0.35 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1j2r h ALA 74 Cb 1.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1j2r h ALA 74 CO 0.44 0.25 -0.06 0.39 0.00 0.00 0.00 179.25 180.26 1j2r n GLU 75 N -4.39 0.99 -2.93 0.00 4.71 -1.26 -4.91 120.64 112.85 1j2r n GLU 75 Ca -0.00 -0.35 -0.31 0.00 -0.01 0.00 0.00 57.16 56.49 1j2r n GLU 75 Cb 0.18 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.07 1j2r n GLU 75 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1j2r s ALA 76 N -2.25 3.31 0.31 0.62 0.00 -0.85 -4.90 121.76 118.00 1j2r s ALA 76 Ca 0.35 -0.08 -0.28 0.00 0.00 0.00 0.00 51.96 51.95 1j2r s ALA 76 Cb 0.21 -2.76 -0.10 0.00 0.00 0.00 0.00 23.12 20.47 1j2r s ALA 76 CO 0.42 0.10 1.14 -0.51 0.00 0.00 0.00 175.76 176.91 1j2r s LEU 77 N -3.53 4.46 -0.00 0.00 1.43 -1.26 -4.97 118.68 114.81 1j2r s LEU 77 Ca 0.53 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.96 1j2r s LEU 77 Cb -0.10 -3.72 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1j2r s LEU 77 CO 0.26 -0.29 0.72 0.29 0.23 0.00 0.00 176.35 177.55 1j2r n LYS 78 N 0.90 1.28 -1.71 1.70 4.01 -1.26 -5.08 118.16 118.00 1j2r n LYS 78 Ca 0.00 -0.94 -0.37 0.00 -0.51 0.00 0.00 58.31 56.49 1j2r n LYS 78 Cb 0.45 -0.72 0.06 0.00 -0.51 0.00 0.00 35.03 34.31 1j2r n LYS 78 CO 0.00 0.00 0.00 1.04 -1.11 0.00 0.00 177.40 177.33 1j2r n GLN 79 N -0.22 1.19 -2.01 1.97 3.00 -1.26 -4.93 117.38 115.12 1j2r n GLN 79 Ca 0.00 0.46 -0.41 0.00 -0.01 0.00 0.00 57.00 57.04 1j2r n GLN 79 Cb 0.40 -2.48 -0.02 0.00 0.00 0.00 0.00 30.24 28.14 1j2r n GLN 79 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1j2r s PRO 80 N -3.17 4.27 0.12 -1.09 0.04 -1.26 -5.02 135.00 128.89 1j2r s PRO 80 Ca 0.79 2.32 -0.03 0.00 0.04 0.00 0.00 61.00 64.13 1j2r s PRO 80 Cb -0.39 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.03 1j2r s PRO 80 CO 0.43 -0.39 0.08 0.14 0.04 0.00 0.00 177.00 177.31 1j2r s VAL 81 N -0.35 0.12 0.27 -0.36 -7.23 -1.26 -5.07 120.40 106.52 1j2r s VAL 81 Ca 0.57 -1.79 0.09 0.00 -1.81 0.00 0.00 61.98 59.04 1j2r s VAL 81 Cb -0.42 -1.91 -0.02 0.00 0.56 0.00 0.00 36.38 34.59 1j2r s VAL 81 CO 0.47 -0.53 1.62 0.44 -0.31 0.00 0.00 175.10 176.79 1j2r h ASP 82 N 2.86 0.08 -2.33 4.85 3.32 -2.06 -3.37 116.42 119.77 1j2r h ASP 82 Ca -0.34 -0.05 -0.59 0.00 0.02 0.00 0.00 57.03 56.07 1j2r h ASP 82 Cb 1.19 -0.02 -0.40 0.00 0.22 0.00 0.00 39.33 40.32 1j2r h ASP 82 CO 0.58 0.65 -0.83 0.00 -1.72 0.00 0.00 179.24 177.93 1j2r n ALA 83 N -2.44 3.20 -1.58 3.45 0.00 -1.26 -5.12 120.51 116.76 1j2r n ALA 83 Ca -0.02 -3.97 -0.33 0.00 0.00 0.00 0.00 53.44 49.12 1j2r n ALA 83 Cb 0.60 -0.87 0.03 0.00 0.00 0.00 0.00 19.45 19.21 1j2r n ALA 83 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j2r s PRO 84 N -1.40 3.03 0.01 0.00 0.04 -1.26 -5.04 135.00 130.37 1j2r s PRO 84 Ca 0.34 1.27 -0.15 0.00 0.04 0.00 0.00 61.00 62.50 1j2r s PRO 84 Cb 0.10 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 1j2r s PRO 84 CO -0.11 -1.05 0.43 -1.12 0.04 0.00 0.00 177.00 175.19 1j2r s SER 85 N -2.77 6.84 0.30 6.66 0.01 -1.26 -5.07 113.70 118.41 1j2r s SER 85 Ca 0.65 1.00 -0.29 0.00 1.31 0.00 0.00 55.95 58.62 1j2r s SER 85 Cb -0.18 -2.27 -0.09 0.00 0.21 0.00 0.00 66.02 63.69 1j2r s SER 85 CO 0.41 0.31 1.09 -2.16 0.41 0.00 0.00 173.24 173.29 1j2r s PRO 86 N -1.02 4.57 -1.32 12.44 0.04 -1.26 -4.94 135.00 143.50 1j2r s PRO 86 Ca 0.24 1.75 -0.15 0.00 0.04 0.00 0.00 61.00 62.89 1j2r s PRO 86 Cb -0.17 -3.09 0.10 0.00 0.04 0.00 0.00 34.50 31.38 1j2r s PRO 86 CO 0.14 0.16 1.83 0.00 0.04 0.00 0.00 177.00 179.18 1j2r n ALA 87 N 1.00 4.45 -2.46 8.56 0.00 -1.26 -4.96 120.51 125.83 1j2r n ALA 87 Ca -0.00 -4.01 -0.27 0.00 0.00 0.00 0.00 53.44 49.16 1j2r n ALA 87 Cb 0.46 -3.38 -0.01 0.00 0.00 0.00 0.00 19.45 16.51 1j2r n ALA 87 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1j2r s LYS 88 N 2.79 3.56 0.02 0.00 2.47 -1.26 -5.02 119.74 122.30 1j2r s LYS 88 Ca 0.48 -0.02 -0.30 0.00 -1.56 0.00 0.00 55.97 54.56 1j2r s LYS 88 Cb 0.06 -2.54 -0.07 0.00 -1.46 0.00 0.00 37.83 33.82 1j2r s LYS 88 CO 0.01 0.03 1.56 0.08 0.16 0.00 0.00 175.35 177.18 1j2r s VAL 89 N -2.41 3.41 0.34 4.02 1.01 -1.26 -4.96 120.40 120.54 1j2r s VAL 89 Ca 0.44 0.77 -0.28 0.00 0.00 0.00 0.00 61.98 62.91 1j2r s VAL 89 Cb -0.10 -3.49 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 1j2r s VAL 89 CO 0.37 -0.02 1.21 -0.76 0.00 0.00 0.00 175.10 175.91 1j2r s LEU 90 N 2.83 4.40 0.77 3.92 1.43 -1.26 -5.00 118.68 125.78 1j2r s LEU 90 Ca 0.70 2.49 -0.13 0.00 -1.03 0.00 0.00 54.13 56.16 1j2r s LEU 90 Cb -0.35 -3.74 0.06 0.00 0.03 0.00 0.00 46.19 42.19 1j2r s LEU 90 CO 0.29 -0.46 1.14 -2.16 0.23 0.00 0.00 176.35 175.39 1j2r s PRO 91 N -1.83 2.07 0.40 1.29 0.04 -1.26 -4.91 135.00 130.81 1j2r s PRO 91 Ca 0.50 1.46 0.12 0.00 0.04 0.00 0.00 61.00 63.12 1j2r s PRO 91 Cb -0.35 -1.85 0.94 0.00 0.04 0.00 0.00 34.50 33.27 1j2r s PRO 91 CO 0.46 -1.83 1.94 1.49 0.04 0.00 0.00 177.00 179.10 1j2r h GLU 92 N -0.82 0.51 -0.30 4.56 4.81 -2.05 -1.60 114.58 119.69 1j2r h GLU 92 Ca -0.45 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1j2r h GLU 92 Cb 1.26 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1j2r h GLU 92 CO 0.49 0.34 0.00 0.27 -0.73 0.00 0.00 179.01 179.38 1j2r n ASN 93 N -4.49 1.70 -0.20 1.04 0.23 -1.26 -4.63 115.26 107.66 1j2r n ASN 93 Ca 0.13 -1.96 0.01 0.00 -0.53 0.00 0.00 54.58 52.22 1j2r n ASN 93 Cb 0.41 -0.20 0.11 0.00 -2.08 0.00 0.00 39.78 38.01 1j2r n ASN 93 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 1j2r h TRP 94 N 1.90 0.13 -0.01 -2.53 2.91 -1.64 -1.53 115.95 115.17 1j2r h TRP 94 Ca 0.00 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1j2r h TRP 94 Cb 0.43 0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.12 1j2r h TRP 94 CO 0.20 -0.07 -0.13 0.91 -1.03 0.00 0.00 178.44 178.31 1j2r n TRP 95 N -5.18 0.00 -2.20 2.65 7.02 -1.26 -1.59 117.44 116.88 1j2r n TRP 95 Ca 0.09 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.14 1j2r n TRP 95 Cb 0.33 -0.08 -0.03 0.00 -2.42 0.00 0.00 31.31 29.11 1j2r n TRP 95 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1j2r s GLN 96 N -2.30 4.22 0.18 -0.99 -1.52 -0.58 -4.74 119.66 113.93 1j2r s GLN 96 Ca 0.31 1.95 -0.30 0.00 -1.95 0.00 0.00 55.36 55.36 1j2r s GLN 96 Cb 0.20 -3.82 -0.09 0.00 -0.22 0.00 0.00 33.01 29.09 1j2r s GLN 96 CO 0.44 -0.74 1.34 -1.01 -0.25 0.00 0.00 175.29 175.07 1j2r s HIS 97 N 3.50 3.24 0.47 0.91 3.76 -1.26 -0.54 115.29 125.36 1j2r s HIS 97 Ca 0.65 1.14 -0.24 0.00 -0.15 0.00 0.00 55.06 56.45 1j2r s HIS 97 Cb -0.29 -3.63 -0.07 0.00 1.11 0.00 0.00 32.58 29.70 1j2r s HIS 97 CO 0.23 -2.05 1.28 -1.25 -0.85 0.00 0.00 174.74 172.10 1j2r s PRO 98 N 0.23 3.64 0.29 8.40 0.04 -1.26 -4.91 135.00 141.44 1j2r s PRO 98 Ca 0.59 2.07 0.04 0.00 0.04 0.00 0.00 61.00 63.74 1j2r s PRO 98 Cb -0.37 -2.49 0.69 0.00 0.04 0.00 0.00 34.50 32.37 1j2r s PRO 98 CO 0.36 -0.73 1.77 0.00 0.04 0.00 0.00 177.00 178.44 1j2r h ALA 99 N 2.10 1.58 0.00 8.56 0.00 -1.99 -1.86 119.26 127.65 1j2r h ALA 99 Ca -0.50 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1j2r h ALA 99 Cb 1.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1j2r h ALA 99 CO 0.60 -0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1j2r n ALA 100 N -2.35 1.62 0.25 0.00 0.00 -1.26 -1.58 120.51 117.17 1j2r n ALA 100 Ca 0.22 0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.78 1j2r n ALA 100 Cb 0.54 -1.29 0.63 0.00 0.00 0.00 0.00 19.45 19.33 1j2r n ALA 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1j2r h LEU 101 N 0.00 0.00 0.09 0.00 5.85 -1.53 -3.41 115.31 116.31 1j2r h LEU 101 Ca 0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 1j2r h LEU 101 Cb 0.28 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.35 1j2r h LEU 101 CO 0.00 0.17 -0.35 0.61 -0.34 0.00 0.00 178.44 178.53 1j2r n GLY 102 N -0.59 0.03 3.67 3.75 0.00 -0.62 -4.27 105.19 107.17 1j2r n GLY 102 Ca -0.02 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 1j2r n GLY 102 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j2r n THR 103 N -3.94 1.99 -4.12 2.61 -1.04 -1.26 -5.01 114.28 103.50 1j2r n THR 103 Ca -0.05 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.05 61.37 1j2r n THR 103 Cb 0.56 -1.42 -0.09 0.00 -1.82 0.00 0.00 70.33 67.56 1j2r n THR 103 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1j2r s THR 104 N -1.07 0.10 0.45 12.58 -1.32 -1.26 -5.06 115.64 120.06 1j2r s THR 104 Ca 0.56 -1.82 0.12 0.00 -1.21 0.00 0.00 61.69 59.34 1j2r s THR 104 Cb -0.60 -2.01 0.29 0.00 -1.51 0.00 0.00 72.50 68.66 1j2r s THR 104 CO 0.62 -0.44 2.07 -0.78 -2.21 0.00 0.00 174.62 173.87 1j2r h ASP 105 N 2.81 0.28 0.86 8.08 3.58 -2.04 -2.00 116.42 127.99 1j2r h ASP 105 Ca -0.34 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.09 1j2r h ASP 105 Cb 1.20 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 1j2r h ASP 105 CO 0.57 0.20 -0.05 0.77 -2.88 0.00 0.00 179.24 177.85 1j2r h SER 106 N 0.33 0.00 -4.00 2.28 4.64 -1.99 -3.43 113.55 111.38 1j2r h SER 106 Ca 0.14 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.92 1j2r h SER 106 Cb 0.14 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.34 1j2r h SER 106 CO -0.03 0.05 0.62 -1.81 -0.87 0.00 0.00 176.83 174.79 1j2r s ASP 107 N -5.77 5.80 -0.37 4.97 1.01 -0.75 -4.83 116.67 116.73 1j2r s ASP 107 Ca 0.00 2.73 -0.17 0.00 0.71 0.00 0.00 52.55 55.82 1j2r s ASP 107 Cb 0.10 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1j2r s ASP 107 CO 0.55 -1.20 0.44 -0.63 0.21 0.00 0.00 175.17 174.54 1j2r s ILE 108 N -1.29 5.08 -0.07 0.77 1.01 0.54 -4.95 121.20 122.29 1j2r s ILE 108 Ca 0.64 0.05 -0.26 0.00 0.00 0.00 0.00 60.65 61.09 1j2r s ILE 108 Cb -0.39 -3.94 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 1j2r s ILE 108 CO 0.49 -0.23 0.80 -1.61 0.00 0.00 0.00 174.94 174.38 1j2r s GLU 109 N 2.21 4.44 -0.09 2.79 0.41 -1.26 -1.04 118.70 126.16 1j2r s GLU 109 Ca 0.15 1.05 0.03 0.00 -0.41 0.00 0.00 54.97 55.78 1j2r s GLU 109 Cb -0.16 -3.47 -0.01 0.00 -1.78 0.00 0.00 34.13 28.70 1j2r s GLU 109 CO 0.13 -0.04 -0.18 0.42 -0.49 0.00 0.00 175.26 175.10 1j2r s ILE 110 N 1.10 2.67 -0.20 -1.63 -1.09 -0.35 -4.94 121.20 116.77 1j2r s ILE 110 Ca 0.42 -0.82 -0.03 0.00 -2.23 0.00 0.00 60.65 57.98 1j2r s ILE 110 Cb -0.18 -2.06 -0.01 0.00 -1.58 0.00 0.00 42.46 38.62 1j2r s ILE 110 CO 0.20 0.55 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.77 1j2r s ILE 111 N 0.03 3.34 0.29 2.92 -1.09 -1.26 -0.91 121.20 124.53 1j2r s ILE 111 Ca -0.07 -0.52 0.10 0.00 -2.23 0.00 0.00 60.65 57.94 1j2r s ILE 111 Cb -0.15 -2.49 -0.05 0.00 -1.58 0.00 0.00 42.46 38.19 1j2r s ILE 111 CO 0.05 0.45 -0.08 -1.59 -1.23 0.00 0.00 174.94 172.54 1j2r s LYS 112 N 1.16 1.99 -0.02 2.79 -2.85 0.01 -4.76 119.74 118.06 1j2r s LYS 112 Ca 0.02 -1.66 0.03 0.00 -1.00 0.00 0.00 55.97 53.36 1j2r s LYS 112 Cb -0.14 -1.93 0.04 0.00 -2.06 0.00 0.00 37.83 33.74 1j2r s LYS 112 CO -0.01 0.29 0.99 0.54 0.10 0.00 0.00 175.35 177.25 1j2r n ARG 113 N -0.80 2.50 -1.02 1.78 5.12 -1.26 -2.61 116.66 120.37 1j2r n ARG 113 Ca -0.05 -1.60 0.00 0.00 -1.93 0.00 0.00 57.85 54.27 1j2r n ARG 113 Cb 0.60 -1.04 0.00 0.00 -1.16 0.00 0.00 32.46 30.87 1j2r n ARG 113 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1j2r n GLN 114 N -0.61 0.00 0.35 5.56 0.00 -1.26 -4.54 117.38 116.88 1j2r n GLN 114 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 57.00 56.85 1j2r n GLN 114 Cb 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.48 1j2r n GLN 114 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1j2r h TRP 115 N 0.94 -1.08 -3.96 2.61 4.06 -1.94 -3.44 115.95 113.15 1j2r h TRP 115 Ca 0.00 -0.01 -0.47 0.00 2.06 0.00 0.00 58.89 60.47 1j2r h TRP 115 Cb 0.00 0.39 0.00 0.00 -1.00 0.00 0.00 29.16 28.55 1j2r h TRP 115 CO 0.00 -0.60 0.38 0.20 -3.56 0.00 0.00 178.44 174.86 1j2r s GLY 116 N -2.12 2.70 0.00 1.49 0.00 -1.26 -4.39 107.32 103.74 1j2r s GLY 116 Ca -0.18 0.61 0.18 0.00 0.00 0.00 0.00 44.72 45.34 1j2r s GLY 116 CO 0.62 1.02 1.42 0.00 0.00 0.00 0.00 173.10 176.16 1j2r n ALA 117 N -0.01 2.45 -0.14 3.20 0.00 -1.26 -4.29 120.51 120.46 1j2r n ALA 117 Ca 0.05 -0.77 -0.26 0.00 0.00 0.00 0.00 53.44 52.45 1j2r n ALA 117 Cb 0.50 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 1j2r n ALA 117 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1j2r n PHE 118 N 0.84 0.00 -1.86 0.00 3.72 -1.26 -4.57 117.46 114.33 1j2r n PHE 118 Ca 0.17 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.15 1j2r n PHE 118 Cb 0.42 -0.99 -0.03 0.00 -0.94 0.00 0.00 39.48 37.94 1j2r n PHE 118 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1j2r s TYR 119 N -2.51 2.06 -0.26 1.38 5.04 -1.26 -1.94 117.35 119.87 1j2r s TYR 119 Ca -0.37 0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.34 1j2r s TYR 119 Cb 0.13 -4.05 0.00 0.00 0.35 0.00 0.00 41.96 38.40 1j2r s TYR 119 CO 0.52 -4.37 0.00 0.41 -1.34 0.00 0.00 175.55 170.77 1j2r n GLY 120 N 4.17 0.56 3.70 8.97 0.00 -1.26 -4.73 105.19 116.60 1j2r n GLY 120 Ca 0.17 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1j2r n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j2r s THR 121 N -1.94 1.13 -1.34 2.61 -4.23 -0.82 -4.97 115.64 106.07 1j2r s THR 121 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 1j2r s THR 121 Cb 0.00 -2.27 0.66 0.00 1.34 0.00 0.00 72.50 72.23 1j2r s THR 121 CO 0.00 0.00 1.55 -0.90 -0.54 0.00 0.00 174.62 174.73 1j2r n ASP 122 N -1.24 4.28 0.09 3.99 5.75 -1.26 -4.67 116.55 123.48 1j2r n ASP 122 Ca -0.15 -2.33 -0.13 0.00 -0.01 0.00 0.00 54.79 52.17 1j2r n ASP 122 Cb 0.67 -0.54 -0.07 0.00 -1.03 0.00 0.00 41.12 40.15 1j2r n ASP 122 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1j2r h LEU 123 N 3.83 -0.18 -0.22 -2.12 5.85 -1.85 -0.28 115.31 120.33 1j2r h LEU 123 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1j2r h LEU 123 Cb 1.27 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1j2r h LEU 123 CO 0.18 -0.11 0.15 -0.08 -0.34 0.00 0.00 178.44 178.23 1j2r h GLU 124 N -0.17 0.30 -0.51 1.25 4.81 -1.88 -0.72 114.58 117.66 1j2r h GLU 124 Ca -0.00 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.31 1j2r h GLU 124 Cb 0.15 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.38 1j2r h GLU 124 CO -0.01 0.21 0.02 1.25 -0.73 0.00 0.00 179.01 179.75 1j2r h LEU 125 N 0.30 -0.18 -0.30 1.64 6.46 -1.83 -0.42 115.31 120.97 1j2r h LEU 125 Ca 0.08 0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.91 1j2r h LEU 125 Cb -0.02 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 1j2r h LEU 125 CO -0.02 -0.06 -0.00 1.56 -0.62 0.00 0.00 178.44 179.30 1j2r h GLN 126 N 0.14 0.54 -0.07 1.25 1.08 -0.73 -1.15 115.11 116.16 1j2r h GLN 126 Ca 0.26 -0.17 0.01 0.00 -1.45 0.00 0.00 58.65 57.30 1j2r h GLN 126 Cb 0.39 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1j2r h GLN 126 CO -0.41 0.68 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.07 1j2r h LEU 127 N 0.33 -0.04 -0.46 1.46 3.38 -0.75 -1.91 115.31 117.33 1j2r h LEU 127 Ca 0.09 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1j2r h LEU 127 Cb 0.44 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1j2r h LEU 127 CO 0.02 -0.01 -0.01 0.03 0.09 0.00 0.00 178.44 178.56 1j2r h ARG 128 N 0.02 0.82 0.00 1.13 3.08 -0.94 -1.30 114.38 117.18 1j2r h ARG 128 Ca 0.03 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1j2r h ARG 128 Cb 0.04 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1j2r h ARG 128 CO -0.06 0.88 0.00 0.00 -1.07 0.00 0.00 179.97 179.71 1j2r h ARG 129 N 0.66 0.00 -0.20 0.04 3.08 -1.17 -2.03 114.38 114.77 1j2r h ARG 129 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1j2r h ARG 129 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1j2r h ARG 129 CO 0.03 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.47 1j2r n ARG 130 N -2.97 1.92 -2.18 0.04 1.74 -0.72 -4.96 116.66 109.53 1j2r n ARG 130 Ca 0.02 -1.38 -0.07 0.00 -0.77 0.00 0.00 57.85 55.65 1j2r n ARG 130 Cb 0.36 -1.43 -0.00 0.00 -1.02 0.00 0.00 32.46 30.37 1j2r n ARG 130 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j2r n GLY 131 N 1.22 0.11 3.75 -0.13 0.00 -0.76 -5.01 105.19 104.37 1j2r n GLY 131 Ca 0.17 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 1j2r n GLY 131 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j2r s ILE 132 N -2.40 5.08 -0.02 -0.61 -1.09 -0.52 -4.69 121.20 116.96 1j2r s ILE 132 Ca 0.01 1.06 0.00 0.00 -2.23 0.00 0.00 60.65 59.49 1j2r s ILE 132 Cb -0.01 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1j2r s ILE 132 CO 0.02 0.38 0.44 -0.90 -1.23 0.00 0.00 174.94 173.64 1j2r n ASP 133 N 3.17 0.88 -3.92 3.58 5.68 0.16 -4.66 116.55 121.44 1j2r n ASP 133 Ca -0.07 -0.94 -0.16 0.00 -0.50 0.00 0.00 54.79 53.11 1j2r n ASP 133 Cb 0.51 0.14 -0.15 0.00 -1.14 0.00 0.00 41.12 40.48 1j2r n ASP 133 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1j2r s THR 134 N -0.15 0.35 -0.09 2.12 2.01 -0.87 -0.62 115.64 118.38 1j2r s THR 134 Ca 0.00 -0.13 0.04 0.00 0.31 0.00 0.00 61.69 61.91 1j2r s THR 134 Cb 0.00 -0.34 0.00 0.00 0.01 0.00 0.00 72.50 72.18 1j2r s THR 134 CO 0.00 0.13 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.21 1j2r s ILE 135 N 0.24 1.90 -0.25 1.82 1.01 0.32 -0.88 121.20 125.37 1j2r s ILE 135 Ca -0.02 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.56 1j2r s ILE 135 Cb -0.06 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 1j2r s ILE 135 CO -0.00 0.52 0.32 -0.69 0.00 0.00 0.00 174.94 175.09 1j2r s VAL 136 N 0.39 5.23 -0.07 2.92 1.01 0.00 -0.70 120.40 129.19 1j2r s VAL 136 Ca -0.18 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.32 1j2r s VAL 136 Cb -0.18 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1j2r s VAL 136 CO 0.08 0.23 -0.12 -0.22 0.00 0.00 0.00 175.10 175.07 1j2r s LEU 137 N 1.64 2.84 0.28 3.92 2.96 0.35 -0.57 118.68 130.10 1j2r s LEU 137 Ca 0.14 -0.18 -0.12 0.00 -0.22 0.00 0.00 54.13 53.75 1j2r s LEU 137 Cb -0.15 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1j2r s LEU 137 CO 0.08 0.32 0.54 0.00 -1.32 0.00 0.00 176.35 175.97 1j2r n GLY 139 N -0.44 0.66 3.04 0.00 0.00 -0.36 -0.66 105.19 107.44 1j2r n GLY 139 Ca -0.02 -2.14 -0.24 0.00 0.00 0.00 0.00 46.02 43.62 1j2r n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j2r s ILE 140 N -0.96 1.12 -0.08 -0.61 1.01 -0.68 -2.51 121.20 118.48 1j2r s ILE 140 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.15 1j2r s ILE 140 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 1j2r s ILE 140 CO 0.00 0.34 -0.03 -0.55 0.00 0.00 0.00 174.94 174.70 1j2r s SER 141 N 0.47 4.95 0.25 3.58 0.15 -1.26 -4.51 113.70 117.33 1j2r s SER 141 Ca -0.10 0.06 -0.11 0.00 0.70 0.00 0.00 55.95 56.50 1j2r s SER 141 Cb -0.14 -1.33 0.36 0.00 -1.71 0.00 0.00 66.02 63.21 1j2r s SER 141 CO 0.03 0.37 1.59 0.74 1.20 0.00 0.00 173.24 177.16 1j2r h THR 142 N 4.19 0.14 -0.28 6.45 2.02 -1.33 -1.56 112.91 122.53 1j2r h THR 142 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.68 1j2r h THR 142 Cb 1.18 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1j2r h THR 142 CO 0.53 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 175.96 1j2r n ASN 143 N -5.55 2.97 0.00 4.18 6.94 -1.26 -2.38 115.26 120.16 1j2r n ASN 143 Ca 0.12 -1.92 0.00 0.00 -0.02 0.00 0.00 54.58 52.76 1j2r n ASN 143 Cb 0.43 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.67 1j2r n ASN 143 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1j2r n ILE 144 N 1.19 0.00 0.00 1.53 2.08 -0.64 -4.64 119.36 118.88 1j2r n ILE 144 Ca 0.18 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.40 1j2r n ILE 144 Cb 0.54 -0.05 0.07 0.00 -0.75 0.00 0.00 39.64 39.45 1j2r n ILE 144 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1j2r h GLY 145 N 0.00 0.60 0.98 7.39 0.00 -1.74 -0.88 103.07 109.42 1j2r h GLY 145 Ca 0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 1j2r h GLY 145 CO 0.00 0.61 0.14 -2.08 0.00 0.00 0.00 176.54 175.21 1j2r h VAL 146 N 0.43 1.08 -0.46 4.60 2.07 -1.62 -2.08 116.25 120.27 1j2r h VAL 146 Ca 0.02 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.23 1j2r h VAL 146 Cb 1.04 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1j2r h VAL 146 CO 0.10 0.08 -0.20 -0.08 0.02 0.00 0.00 177.57 177.49 1j2r h GLU 147 N 0.29 0.93 -0.62 1.57 4.81 -1.23 -0.31 114.58 120.00 1j2r h GLU 147 Ca 0.08 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 58.91 1j2r h GLU 147 Cb 0.00 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1j2r h GLU 147 CO -0.02 1.04 0.29 0.77 -0.73 0.00 0.00 179.01 180.37 1j2r h SER 148 N 0.81 0.82 -0.54 1.04 0.02 -1.11 -0.77 113.55 113.81 1j2r h SER 148 Ca 0.11 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1j2r h SER 148 Cb 0.75 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 1j2r h SER 148 CO 0.06 0.73 0.29 0.74 -1.14 0.00 0.00 176.83 177.51 1j2r h THR 149 N 0.86 1.19 -0.14 -2.27 2.02 -1.12 -2.20 112.91 111.23 1j2r h THR 149 Ca 0.21 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 1j2r h THR 149 Cb 0.13 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1j2r h THR 149 CO -0.03 0.20 0.07 0.00 0.37 0.00 0.00 175.52 176.14 1j2r h ALA 150 N 1.13 0.19 -0.41 6.16 0.00 -0.73 0.09 119.26 125.68 1j2r h ALA 150 Ca 0.19 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1j2r h ALA 150 Cb 0.06 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1j2r h ALA 150 CO -0.03 -0.27 0.18 0.00 0.00 0.00 0.00 179.25 179.13 1j2r h ARG 151 N 0.12 0.36 0.05 0.00 3.08 -1.08 -1.30 114.38 115.62 1j2r h ARG 151 Ca 0.05 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1j2r h ARG 151 Cb 0.10 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1j2r h ARG 151 CO -0.01 0.24 -0.03 -0.91 -1.07 0.00 0.00 179.97 178.19 1j2r h ASN 152 N 0.37 -0.06 -0.84 7.04 -0.26 -1.23 -2.57 115.58 118.02 1j2r h ASN 152 Ca 0.18 -0.02 0.09 0.00 -0.56 0.00 0.00 56.30 55.99 1j2r h ASN 152 Cb 0.12 0.02 -0.07 0.00 -1.06 0.00 0.00 38.32 37.33 1j2r h ASN 152 CO -0.15 -0.02 0.49 0.00 -1.06 0.00 0.00 177.43 176.68 1j2r h ALA 153 N 0.85 1.18 -0.24 -0.83 0.00 -0.61 -0.94 119.26 118.67 1j2r h ALA 153 Ca -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1j2r h ALA 153 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1j2r h ALA 153 CO 0.01 0.14 0.02 2.35 0.00 0.00 0.00 179.25 181.77 1j2r h TRP 154 N 0.84 0.44 -0.25 0.00 7.01 -1.18 -2.23 115.95 120.58 1j2r h TRP 154 Ca 0.39 -0.07 -0.03 0.00 2.11 0.00 0.00 58.89 61.30 1j2r h TRP 154 Cb 0.32 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 1j2r h TRP 154 CO -0.05 0.56 0.02 0.93 -2.79 0.00 0.00 178.44 177.11 1j2r h GLU 155 N 0.19 0.36 0.00 2.65 5.08 -1.02 -1.12 114.58 120.72 1j2r h GLU 155 Ca 0.07 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1j2r h GLU 155 Cb 0.37 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1j2r h GLU 155 CO 0.01 0.37 0.00 1.28 -1.00 0.00 0.00 179.01 179.67 1j2r n LEU 156 N -4.36 0.01 0.00 1.33 4.77 -0.40 -4.89 117.00 113.45 1j2r n LEU 156 Ca 0.01 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1j2r n LEU 156 Cb 0.19 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1j2r n LEU 156 CO 0.37 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1j2r n GLY 157 N 0.28 0.86 3.75 -0.72 0.00 -0.42 -5.07 105.19 103.86 1j2r n GLY 157 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1j2r n GLY 157 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j2r s PHE 158 N -2.02 3.76 0.24 1.61 0.08 -0.87 -5.00 117.98 115.77 1j2r s PHE 158 Ca 0.00 1.78 -0.30 0.00 0.12 0.00 0.00 56.93 58.54 1j2r s PHE 158 Cb 0.00 -3.15 -0.09 0.00 -0.57 0.00 0.00 43.02 39.20 1j2r s PHE 158 CO 0.00 -0.12 1.34 -0.80 -0.10 0.00 0.00 175.22 175.54 1j2r s ASN 159 N -0.90 6.83 -0.05 1.36 0.01 0.21 -4.40 114.94 117.99 1j2r s ASN 159 Ca 0.44 2.51 0.06 0.00 -0.71 0.00 0.00 52.86 55.16 1j2r s ASN 159 Cb -0.29 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 38.73 1j2r s ASN 159 CO 0.36 -0.56 -0.22 -0.22 -1.51 0.00 0.00 177.10 174.95 1j2r s LEU 160 N -0.51 2.24 -0.08 0.60 2.96 -1.26 -0.52 118.68 122.11 1j2r s LEU 160 Ca 0.56 -0.42 0.03 0.00 -0.22 0.00 0.00 54.13 54.07 1j2r s LEU 160 Cb -0.38 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 44.90 1j2r s LEU 160 CO 0.42 0.29 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.89 1j2r s VAL 161 N -0.39 1.42 -0.23 1.68 1.01 0.12 -1.20 120.40 122.80 1j2r s VAL 161 Ca 0.04 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 1j2r s VAL 161 Cb -0.12 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1j2r s VAL 161 CO 0.02 0.42 0.10 -0.63 0.00 0.00 0.00 175.10 175.00 1j2r s ILE 162 N 0.58 4.79 -0.95 2.22 -1.09 -0.24 -0.50 121.20 126.01 1j2r s ILE 162 Ca -0.16 -0.02 -0.21 0.00 -2.23 0.00 0.00 60.65 58.03 1j2r s ILE 162 Cb -0.16 -3.21 0.09 0.00 -1.58 0.00 0.00 42.46 37.59 1j2r s ILE 162 CO 0.05 0.37 1.26 0.00 -1.23 0.00 0.00 174.94 175.40 1j2r s ALA 163 N 1.07 3.05 0.26 9.38 0.00 -0.69 -1.18 121.76 133.66 1j2r s ALA 163 Ca 0.05 -2.47 -0.01 0.00 0.00 0.00 0.00 51.96 49.53 1j2r s ALA 163 Cb -0.14 -4.26 0.48 0.00 0.00 0.00 0.00 23.12 19.21 1j2r s ALA 163 CO 0.04 -3.26 1.82 1.49 0.00 0.00 0.00 175.76 175.84 1j2r h GLU 164 N 9.32 0.84 -0.16 0.00 4.22 -1.44 -1.10 114.58 126.26 1j2r h GLU 164 Ca 0.14 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.53 1j2r h GLU 164 Cb 1.02 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1j2r h GLU 164 CO 1.26 0.56 0.00 -0.40 -2.18 0.00 0.00 179.01 178.24 1j2r n ASP 165 N -4.70 1.41 -0.81 1.04 5.75 -1.26 -2.67 116.55 115.31 1j2r n ASP 165 Ca 0.16 -1.71 0.02 0.00 -0.01 0.00 0.00 54.79 53.26 1j2r n ASP 165 Cb 0.33 -0.10 0.20 0.00 -1.03 0.00 0.00 41.12 40.52 1j2r n ASP 165 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j2r n ALA 166 N 0.17 3.80 -2.47 2.12 0.00 -0.43 -4.60 120.51 119.10 1j2r n ALA 166 Ca 0.15 -3.14 -0.21 0.00 0.00 0.00 0.00 53.44 50.24 1j2r n ALA 166 Cb 0.28 -0.53 -0.11 0.00 0.00 0.00 0.00 19.45 19.08 1j2r n ALA 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j2r s SER 168 N -2.56 -0.30 0.08 0.00 0.15 -1.05 -4.38 113.70 105.64 1j2r s SER 168 Ca 0.14 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.64 1j2r s SER 168 Cb -0.06 0.47 -0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1j2r s SER 168 CO 0.06 -0.80 0.04 0.00 1.20 0.00 0.00 173.24 173.74 1j2r n ALA 169 N 0.01 0.13 0.09 5.45 0.00 -0.27 -1.18 120.51 124.74 1j2r n ALA 169 Ca -0.17 -0.41 0.02 0.00 0.00 0.00 0.00 53.44 52.89 1j2r n ALA 169 Cb 0.62 0.30 0.38 0.00 0.00 0.00 0.00 19.45 20.76 1j2r n ALA 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j2r h ALA 170 N 1.17 1.52 -2.56 0.00 0.00 -1.77 0.22 119.26 117.83 1j2r h ALA 170 Ca -0.06 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1j2r h ALA 170 Cb 0.24 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 17.78 1j2r h ALA 170 CO 0.09 0.35 -0.31 -1.54 0.00 0.00 0.00 179.25 177.83 1j2r s SER 171 N -6.84 0.02 0.30 0.00 1.04 -1.26 -3.75 113.70 103.22 1j2r s SER 171 Ca -0.06 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 55.88 1j2r s SER 171 Cb 0.16 0.35 0.54 0.00 0.10 0.00 0.00 66.02 67.17 1j2r s SER 171 CO 0.74 -0.71 1.91 0.00 0.98 0.00 0.00 173.24 176.16 1j2r h ALA 172 N 2.87 1.52 -0.43 5.32 0.00 -1.85 -1.93 119.26 124.76 1j2r h ALA 172 Ca -0.33 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1j2r h ALA 172 Cb 1.21 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1j2r h ALA 172 CO 0.52 0.34 0.18 0.93 0.00 0.00 0.00 179.25 181.22 1j2r h GLU 173 N 1.02 0.63 -0.51 0.00 3.07 -1.96 0.11 114.58 116.95 1j2r h GLU 173 Ca 0.39 -0.11 -0.12 0.00 -0.50 0.00 0.00 59.36 59.02 1j2r h GLU 173 Cb 0.22 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.01 1j2r h GLU 173 CO -0.15 0.58 -0.16 1.96 -1.40 0.00 0.00 179.01 179.84 1j2r h GLN 174 N 0.55 1.01 0.22 2.33 4.20 -1.84 -1.11 115.11 120.46 1j2r h GLN 174 Ca 0.14 -0.40 -0.00 0.00 0.06 0.00 0.00 58.65 58.45 1j2r h GLN 174 Cb 0.17 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1j2r h GLN 174 CO -0.01 1.08 -0.16 1.25 -0.67 0.00 0.00 178.83 180.33 1j2r h HIS 175 N 0.87 -0.40 -0.68 2.96 2.76 -1.15 -3.11 115.15 116.40 1j2r h HIS 175 Ca 0.13 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.25 1j2r h HIS 175 Cb 0.73 0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.81 1j2r h HIS 175 CO 0.05 -0.24 0.27 -0.91 -1.30 0.00 0.00 177.93 175.80 1j2r h ASN 176 N -0.37 0.92 -0.83 3.26 2.35 -0.69 -0.94 115.58 119.27 1j2r h ASN 176 Ca -0.01 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1j2r h ASN 176 Cb 0.33 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.42 1j2r h ASN 176 CO -0.00 0.82 0.55 -1.13 -1.65 0.00 0.00 177.43 176.02 1j2r h ASN 177 N 0.98 0.94 -0.22 5.81 -1.24 -1.19 0.11 115.58 120.78 1j2r h ASN 177 Ca 0.23 -0.02 -0.13 0.00 0.71 0.00 0.00 56.30 57.09 1j2r h ASN 177 Cb 0.19 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.01 1j2r h ASN 177 CO -0.02 0.67 -0.38 0.28 -1.29 0.00 0.00 177.43 176.69 1j2r h SER 178 N 1.11 0.71 -0.49 1.15 0.02 -1.40 -0.66 113.55 113.99 1j2r h SER 178 Ca 0.31 -0.54 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1j2r h SER 178 Cb -0.10 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.21 1j2r h SER 178 CO -0.08 1.11 0.25 0.40 -1.14 0.00 0.00 176.83 177.38 1j2r h ILE 179 N 0.33 1.18 0.00 3.27 1.08 -0.87 -0.39 117.51 122.11 1j2r h ILE 179 Ca 0.01 -0.50 -0.26 0.00 -0.39 0.00 0.00 64.86 63.72 1j2r h ILE 179 Cb 0.98 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 35.19 1j2r h ILE 179 CO 0.09 0.21 -1.49 0.78 -0.69 0.00 0.00 178.15 177.04 1j2r h ASN 180 N 0.74 0.00 0.00 1.72 -0.26 -0.74 -3.37 115.58 113.66 1j2r h ASN 180 Ca 0.18 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.91 1j2r h ASN 180 Cb 0.08 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1j2r h ASN 180 CO -0.02 0.98 -1.07 1.41 -1.06 0.00 0.00 177.43 177.67 1j2r n HIS 181 N -3.13 0.00 -0.05 1.19 8.25 -0.26 -4.74 115.22 116.48 1j2r n HIS 181 Ca -0.12 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.28 1j2r n HIS 181 Cb 1.01 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 32.06 1j2r n HIS 181 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1j2r n ILE 182 N -1.75 1.41 -0.32 1.59 2.08 -0.47 -4.73 119.36 117.16 1j2r n ILE 182 Ca -0.01 0.22 0.07 0.00 0.56 0.00 0.00 62.75 63.59 1j2r n ILE 182 Cb 0.24 -2.13 0.27 0.00 -0.75 0.00 0.00 39.64 37.27 1j2r n ILE 182 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 1j2r h TYR 183 N -0.71 1.05 -0.03 1.39 0.05 -1.34 -1.84 116.97 115.53 1j2r h TYR 183 Ca 0.00 0.03 0.01 0.00 0.05 0.00 0.00 58.73 58.82 1j2r h TYR 183 Cb 0.71 -0.34 -0.00 0.00 1.01 0.00 0.00 36.73 38.11 1j2r h TYR 183 CO -0.31 0.45 0.04 -1.35 -1.05 0.00 0.00 178.16 175.94 1j2r h PRO 184 N 0.95 0.00 0.00 4.88 0.11 -1.77 0.80 132.00 136.97 1j2r h PRO 184 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1j2r h PRO 184 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1j2r h PRO 184 CO -0.21 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 177.25 1j2r h ARG 185 N 0.00 0.00 0.00 1.05 3.08 -1.62 -3.36 114.38 113.53 1j2r h ARG 185 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1j2r h ARG 185 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1j2r h ARG 185 CO -0.00 0.00 0.00 0.44 -1.07 0.00 0.00 179.97 179.34 1j2r n ILE 186 N -2.30 0.00 -3.90 2.04 -5.35 -0.78 -5.10 119.36 103.97 1j2r n ILE 186 Ca 0.04 -0.38 -0.08 0.00 -0.27 0.00 0.00 62.75 62.07 1j2r n ILE 186 Cb 0.45 1.21 -0.03 0.00 -1.74 0.00 0.00 39.64 39.54 1j2r n ILE 186 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1j2r s ALA 187 N -0.09 -0.92 -0.23 -1.28 0.00 0.21 -4.44 121.76 115.01 1j2r s ALA 187 Ca 0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 51.96 51.37 1j2r s ALA 187 Cb 0.00 0.92 -0.05 0.00 0.00 0.00 0.00 23.12 23.99 1j2r s ALA 187 CO 0.00 -0.98 0.20 1.03 0.00 0.00 0.00 175.76 176.02 1j2r s ARG 188 N -3.95 4.09 -0.23 0.00 0.52 -0.34 -4.39 118.95 114.65 1j2r s ARG 188 Ca 0.14 -0.18 -0.15 0.00 -0.52 0.00 0.00 55.73 55.02 1j2r s ARG 188 Cb -0.04 -3.54 -0.04 0.00 0.52 0.00 0.00 34.95 31.85 1j2r s ARG 188 CO 0.07 0.03 0.36 0.08 0.02 0.00 0.00 175.30 175.87 1j2r s VAL 189 N 1.13 5.21 0.04 3.52 1.01 -1.26 -1.07 120.40 128.97 1j2r s VAL 189 Ca 0.10 0.60 -0.03 0.00 0.00 0.00 0.00 61.98 62.65 1j2r s VAL 189 Cb -0.14 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 1j2r s VAL 189 CO 0.05 0.23 0.02 -0.13 0.00 0.00 0.00 175.10 175.27 1j2r s ARG 190 N 1.53 0.57 0.61 2.72 1.81 -0.32 -4.96 118.95 120.91 1j2r s ARG 190 Ca 0.16 -0.96 -0.12 0.00 -1.72 0.00 0.00 55.73 53.09 1j2r s ARG 190 Cb -0.15 0.21 -0.04 0.00 -0.45 0.00 0.00 34.95 34.52 1j2r s ARG 190 CO 0.08 -0.12 1.03 -1.54 -0.68 0.00 0.00 175.30 174.07 1j2r s SER 191 N -2.43 6.18 0.28 0.23 1.04 -1.26 -1.12 113.70 116.61 1j2r s SER 191 Ca -0.01 1.49 0.01 0.00 0.48 0.00 0.00 55.95 57.92 1j2r s SER 191 Cb 0.02 -2.48 0.57 0.00 0.10 0.00 0.00 66.02 64.23 1j2r s SER 191 CO -0.07 -0.90 1.80 0.58 0.98 0.00 0.00 173.24 175.63 1j2r h VAL 192 N -0.12 0.81 -0.37 5.02 2.07 -1.93 -1.42 116.25 120.31 1j2r h VAL 192 Ca -0.45 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1j2r h VAL 192 Cb 1.19 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1j2r h VAL 192 CO 0.61 0.15 0.21 -0.33 0.02 0.00 0.00 177.57 178.23 1j2r h GLU 193 N 0.80 0.50 -0.43 1.57 3.07 -1.99 0.01 114.58 118.10 1j2r h GLU 193 Ca 0.49 -0.05 -0.04 0.00 -0.50 0.00 0.00 59.36 59.26 1j2r h GLU 193 Cb 0.62 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 1j2r h GLU 193 CO -0.32 0.39 0.09 0.93 -1.40 0.00 0.00 179.01 178.71 1j2r h GLU 194 N 0.47 0.64 -0.10 2.33 5.08 -1.79 -1.92 114.58 119.30 1j2r h GLU 194 Ca 0.13 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 1j2r h GLU 194 Cb 0.03 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1j2r h GLU 194 CO -0.02 0.60 -0.26 0.82 -1.00 0.00 0.00 179.01 179.14 1j2r h ILE 195 N 0.63 1.40 -0.89 3.13 2.04 -0.80 -2.64 117.51 120.38 1j2r h ILE 195 Ca 0.14 -1.58 0.10 0.00 1.00 0.00 0.00 64.86 64.52 1j2r h ILE 195 Cb 0.25 2.16 -0.06 0.00 -0.74 0.00 0.00 36.82 38.43 1j2r h ILE 195 CO -0.00 0.46 0.57 -0.07 0.00 0.00 0.00 178.15 179.11 1j2r h LEU 196 N -0.10 0.78 -1.07 1.44 3.38 -0.81 -1.76 115.31 117.17 1j2r h LEU 196 Ca -0.00 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1j2r h LEU 196 Cb 0.87 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1j2r h LEU 196 CO 0.06 0.46 -0.27 0.78 0.09 0.00 0.00 178.44 179.55 1j2r h ASN 197 N 0.86 0.00 0.74 -0.43 2.35 -1.25 -3.14 115.58 114.72 1j2r h ASN 197 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1j2r h ASN 197 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1j2r h ASN 197 CO -0.18 0.27 -0.58 0.00 -1.65 0.00 0.00 177.43 175.29 1j2r n ALA 198 N -2.25 3.11 1.57 -0.83 0.00 -0.69 -5.08 120.51 116.33 1j2r n ALA 198 Ca -0.00 -0.28 0.14 0.00 0.00 0.00 0.00 53.44 53.30 1j2r n ALA 198 Cb 0.45 -1.16 0.58 0.00 0.00 0.00 0.00 19.45 19.32 1j2r n ALA 198 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78