#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2r s GLU 14 N 0.00 2.88 0.06 1.96 2.02 -1.26 -4.69 118.70 119.66 1j2r s GLU 14 Ca 0.00 -1.01 0.08 0.00 0.02 0.00 0.00 54.97 54.06 1j2r s GLU 14 Cb 0.00 -3.50 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 1j2r s GLU 14 CO 0.00 -0.58 -0.22 -0.51 0.02 0.00 0.00 175.26 173.97 1j2r s LEU 15 N 1.49 2.19 -0.66 1.80 1.43 -1.26 -5.09 118.68 118.58 1j2r s LEU 15 Ca 0.01 -0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 52.32 1j2r s LEU 15 Cb -0.18 -1.05 0.07 0.00 0.03 0.00 0.00 46.19 45.06 1j2r s LEU 15 CO 0.04 0.17 0.97 0.21 0.23 0.00 0.00 176.35 177.97 1j2r s ASN 16 N -1.33 6.18 0.34 2.29 3.84 -1.26 -4.92 114.94 120.08 1j2r s ASN 16 Ca 0.09 -1.00 0.06 0.00 0.21 0.00 0.00 52.86 52.22 1j2r s ASN 16 Cb -0.09 -2.42 0.73 0.00 -0.55 0.00 0.00 41.25 38.92 1j2r s ASN 16 CO 0.02 -1.44 1.90 0.00 -2.79 0.00 0.00 177.10 174.79 1j2r h ALA 17 N 9.56 1.72 0.00 1.71 0.00 -1.95 -1.82 119.26 128.50 1j2r h ALA 17 Ca -0.28 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1j2r h ALA 17 Cb 1.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1j2r h ALA 17 CO 1.18 0.09 -0.06 0.87 0.00 0.00 0.00 179.25 181.33 1j2r h LYS 18 N 0.79 0.00 -0.20 0.00 1.79 -1.96 -2.75 116.57 114.23 1j2r h LYS 18 Ca 0.41 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.84 1j2r h LYS 18 Cb 0.49 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 1j2r h LYS 18 CO -0.17 0.06 -0.03 0.25 -1.08 0.00 0.00 179.45 178.48 1j2r n THR 19 N -3.29 2.24 -4.74 -0.16 -2.24 -0.70 -4.92 114.28 100.48 1j2r n THR 19 Ca -0.01 -2.19 -0.33 0.00 -2.27 0.00 0.00 64.05 59.24 1j2r n THR 19 Cb 0.25 -0.26 -0.12 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.94 3.38 0.19 4.28 2.01 -1.04 -0.98 115.64 120.54 1j2r s THR 20 Ca 0.40 -0.59 0.08 0.00 0.31 0.00 0.00 61.69 61.89 1j2r s THR 20 Cb 0.34 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 70.43 1j2r s THR 20 CO 0.05 0.58 -0.16 0.00 -0.69 0.00 0.00 174.62 174.40 1j2r s ALA 21 N -0.55 2.04 -0.16 7.40 0.00 -0.39 -4.43 121.76 125.67 1j2r s ALA 21 Ca 0.08 -1.61 -0.07 0.00 0.00 0.00 0.00 51.96 50.36 1j2r s ALA 21 Cb -0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1j2r s ALA 21 CO 0.02 0.13 0.07 -1.17 0.00 0.00 0.00 175.76 174.81 1j2r s LEU 22 N -3.10 3.89 -0.17 0.00 2.96 -0.77 -0.73 118.68 120.75 1j2r s LEU 22 Ca 0.20 0.16 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 1j2r s LEU 22 Cb -0.03 -1.96 0.03 0.00 0.50 0.00 0.00 46.19 44.73 1j2r s LEU 22 CO 0.07 0.24 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.54 1j2r s VAL 23 N -0.05 1.55 -0.29 1.68 1.01 0.28 -0.60 120.40 123.98 1j2r s VAL 23 Ca 0.07 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 1j2r s VAL 23 Cb -0.12 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.74 1j2r s VAL 23 CO 0.01 0.32 0.04 -0.69 0.00 0.00 0.00 175.10 174.78 1j2r s VAL 24 N 1.47 3.52 -0.40 2.92 1.01 -0.37 -2.03 120.40 126.51 1j2r s VAL 24 Ca 0.02 -0.96 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 1j2r s VAL 24 Cb -0.14 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.38 1j2r s VAL 24 CO -0.09 0.03 0.65 -0.63 0.00 0.00 0.00 175.10 175.06 1j2r s ILE 25 N 1.40 4.84 -1.44 2.22 -1.09 0.30 -1.19 121.20 126.25 1j2r s ILE 25 Ca 0.00 0.35 -0.06 0.00 -2.23 0.00 0.00 60.65 58.71 1j2r s ILE 25 Cb -0.18 -4.15 0.01 0.00 -1.58 0.00 0.00 42.46 36.56 1j2r s ILE 25 CO 0.00 -0.47 0.77 0.47 -1.23 0.00 0.00 174.94 174.48 1j2r n ASP 26 N 6.19 -6.05 -4.49 3.58 8.00 0.16 -1.78 116.55 122.16 1j2r n ASP 26 Ca -0.01 -0.35 -0.43 0.00 0.71 0.00 0.00 54.79 54.70 1j2r n ASP 26 Cb 0.48 -4.81 -0.01 0.00 -0.02 0.00 0.00 41.12 36.76 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 -6.62 4.68 0.03 0.64 1.43 -1.26 -4.67 118.68 112.91 1j2r s LEU 27 Ca 0.38 -2.54 0.01 0.00 -1.03 0.00 0.00 54.13 50.95 1j2r s LEU 27 Cb -0.17 -2.45 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 1j2r s LEU 27 CO 0.47 -0.97 -0.06 0.00 0.23 0.00 0.00 176.35 176.02 1j2r s GLN 28 N 2.64 0.44 0.49 1.70 -2.07 -1.26 -4.27 119.66 117.34 1j2r s GLN 28 Ca 0.43 -0.71 0.14 0.00 -1.82 0.00 0.00 55.36 53.40 1j2r s GLN 28 Cb -0.02 -0.13 1.17 0.00 -1.09 0.00 0.00 33.01 32.94 1j2r s GLN 28 CO -0.01 0.01 2.12 0.93 -1.32 0.00 0.00 175.29 177.02 1j2r h GLU 29 N 4.54 0.12 0.00 9.60 4.39 -0.98 -1.17 114.58 131.08 1j2r h GLU 29 Ca -0.34 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.30 1j2r h GLU 29 Cb 1.20 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 1j2r h GLU 29 CO 0.41 0.09 -0.24 0.78 -1.16 0.00 0.00 179.01 178.88 1j2r h GLY 30 N 0.15 0.00 0.73 -3.84 0.00 -1.42 -3.21 103.07 95.48 1j2r h GLY 30 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.19 1j2r h GLY 30 CO -0.01 0.00 -1.61 1.39 0.00 0.00 0.00 176.54 176.32 1j2r n ILE 31 N -3.83 1.07 -0.23 2.60 2.08 -0.47 -4.46 119.36 116.12 1j2r n ILE 31 Ca -0.02 -0.69 0.14 0.00 0.56 0.00 0.00 62.75 62.74 1j2r n ILE 31 Cb 0.34 -0.61 0.43 0.00 -0.75 0.00 0.00 39.64 39.05 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 0.54 -2.79 1.39 3.38 -1.49 -0.27 115.31 116.07 1j2r h LEU 32 Ca -0.20 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1j2r h LEU 32 Cb 1.60 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1j2r h LEU 32 CO 0.04 0.27 0.03 -0.65 0.09 0.00 0.00 178.44 178.22 1j2r h PRO 33 N 0.58 0.00 -0.00 1.13 0.11 -1.78 -2.19 132.00 129.85 1j2r h PRO 33 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1j2r h PRO 33 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1j2r h PRO 33 CO -0.17 0.00 -0.09 1.19 -0.21 0.00 0.00 178.00 178.71 1j2r n PHE 34 N -3.00 0.00 -2.23 0.65 3.01 -0.11 -4.72 117.46 111.06 1j2r n PHE 34 Ca -0.03 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.04 1j2r n PHE 34 Cb 0.10 -0.21 -0.03 0.00 -0.01 0.00 0.00 39.48 39.33 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 -2.52 2.42 -0.17 4.37 0.00 -0.82 -4.11 121.76 120.94 1j2r s ALA 35 Ca 0.28 -0.85 0.14 0.00 0.00 0.00 0.00 51.96 51.53 1j2r s ALA 35 Cb 0.20 -4.26 -0.24 0.00 0.00 0.00 0.00 23.12 18.82 1j2r s ALA 35 CO 0.48 -3.59 0.18 0.41 0.00 0.00 0.00 175.76 173.24 1j2r n GLY 36 N 5.55 -0.90 0.00 0.00 0.00 0.74 -4.51 105.19 106.07 1j2r n GLY 36 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1j2r n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2r n GLY 37 N 1.78 1.62 0.07 -0.02 0.00 -0.61 -4.68 105.19 103.34 1j2r n GLY 37 Ca -0.31 -1.06 0.14 0.00 0.00 0.00 0.00 46.02 44.79 1j2r n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j2r n PRO 38 N -0.81 0.51 -3.99 1.61 -0.04 -1.26 -1.79 135.00 129.23 1j2r n PRO 38 Ca 0.00 -0.14 -0.36 0.00 -0.04 0.00 0.00 63.50 62.96 1j2r n PRO 38 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1j2r n PRO 38 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1j2r s HIS 39 N -2.58 3.49 0.82 0.54 3.76 -1.26 -5.05 115.29 115.01 1j2r s HIS 39 Ca 0.26 0.45 -0.12 0.00 -0.15 0.00 0.00 55.06 55.50 1j2r s HIS 39 Cb 0.20 -1.91 0.08 0.00 1.11 0.00 0.00 32.58 32.06 1j2r s HIS 39 CO 0.49 0.67 1.13 0.95 -0.85 0.00 0.00 174.74 177.13 1j2r s THR 40 N -0.98 2.55 0.25 1.30 -4.23 -1.26 -4.60 115.64 108.67 1j2r s THR 40 Ca 0.14 0.18 -0.04 0.00 -1.18 0.00 0.00 61.69 60.79 1j2r s THR 40 Cb -0.12 -3.03 0.23 0.00 1.34 0.00 0.00 72.50 70.92 1j2r s THR 40 CO 0.04 -0.23 1.85 0.00 -0.54 0.00 0.00 174.62 175.73 1j2r h ALA 41 N -1.13 1.25 -0.71 3.99 0.00 -1.84 -1.94 119.26 118.88 1j2r h ALA 41 Ca -0.47 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1j2r h ALA 41 Cb 1.30 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1j2r h ALA 41 CO 0.63 0.30 0.34 0.22 0.00 0.00 0.00 179.25 180.73 1j2r h ASP 42 N 1.00 0.93 -0.03 0.00 3.58 -1.95 -0.56 116.42 119.40 1j2r h ASP 42 Ca 0.40 -0.13 0.03 0.00 0.42 0.00 0.00 57.03 57.74 1j2r h ASP 42 Cb 0.20 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 40.98 1j2r h ASP 42 CO -0.18 0.80 -0.18 -0.33 -2.88 0.00 0.00 179.24 176.47 1j2r h GLU 43 N 0.99 -0.27 -0.32 0.28 5.08 -1.84 -0.68 114.58 117.82 1j2r h GLU 43 Ca 0.24 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1j2r h GLU 43 Cb 0.12 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1j2r h GLU 43 CO -0.03 -0.18 0.15 0.28 -1.00 0.00 0.00 179.01 178.23 1j2r h VAL 44 N -0.28 1.17 -0.29 3.13 2.07 -1.02 -1.56 116.25 119.47 1j2r h VAL 44 Ca 0.06 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1j2r h VAL 44 Cb 0.36 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1j2r h VAL 44 CO -0.19 0.17 -0.00 0.58 0.02 0.00 0.00 177.57 178.16 1j2r h VAL 45 N 0.38 1.26 -0.39 2.57 2.07 -1.08 0.22 116.25 121.27 1j2r h VAL 45 Ca 0.11 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.70 1j2r h VAL 45 Cb 0.14 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1j2r h VAL 45 CO -0.01 0.30 0.26 -1.13 0.02 0.00 0.00 177.57 177.00 1j2r h ASN 46 N 0.29 0.44 0.64 0.57 -0.73 -1.03 -0.17 115.58 115.59 1j2r h ASN 46 Ca 0.08 -0.01 -0.23 0.00 1.87 0.00 0.00 56.30 58.01 1j2r h ASN 46 Cb 0.43 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.90 1j2r h ASN 46 CO 0.01 0.32 -1.02 0.03 -0.37 0.00 0.00 177.43 176.40 1j2r h ARG 47 N 0.53 0.21 -0.84 6.67 3.08 -1.24 -1.43 114.38 121.36 1j2r h ARG 47 Ca 0.15 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1j2r h ARG 47 Cb -0.05 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1j2r h ARG 47 CO -0.04 1.06 0.49 0.00 -1.07 0.00 0.00 179.97 180.41 1j2r h ALA 48 N 0.82 1.27 -0.83 0.04 0.00 -0.87 -1.08 119.26 118.61 1j2r h ALA 48 Ca -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1j2r h ALA 48 Cb 1.70 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 1j2r h ALA 48 CO 0.16 0.61 0.43 0.78 0.00 0.00 0.00 179.25 181.23 1j2r h GLY 49 N 1.19 1.26 0.91 0.00 0.00 -0.68 0.35 103.07 106.10 1j2r h GLY 49 Ca 0.30 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1j2r h GLY 49 CO -0.05 0.56 0.08 0.50 0.00 0.00 0.00 176.54 177.63 1j2r h LYS 50 N 1.17 0.56 -0.19 4.80 1.57 -0.76 -1.14 116.57 122.58 1j2r h LYS 50 Ca 0.29 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1j2r h LYS 50 Cb 0.06 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1j2r h LYS 50 CO -0.04 0.62 0.12 -0.07 -0.57 0.00 0.00 179.45 179.50 1j2r h LEU 51 N 0.41 0.22 -0.93 2.94 3.38 -0.98 -2.58 115.31 117.77 1j2r h LEU 51 Ca 0.11 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1j2r h LEU 51 Cb 0.31 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1j2r h LEU 51 CO 0.00 0.18 0.58 0.00 0.09 0.00 0.00 178.44 179.30 1j2r h ALA 52 N 1.05 1.19 -0.81 1.53 0.00 -0.77 -1.36 119.26 120.08 1j2r h ALA 52 Ca 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1j2r h ALA 52 Cb -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 1j2r h ALA 52 CO -0.01 0.63 0.33 0.00 0.00 0.00 0.00 179.25 180.19 1j2r h ALA 53 N 1.32 1.05 -0.43 0.00 0.00 -1.06 -0.15 119.26 119.98 1j2r h ALA 53 Ca 0.34 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1j2r h ALA 53 Cb -0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1j2r h ALA 53 CO -0.07 0.67 0.04 -0.22 0.00 0.00 0.00 179.25 179.68 1j2r h LYS 54 N 1.18 0.73 -0.49 0.00 1.63 -1.00 -1.63 116.57 116.98 1j2r h LYS 54 Ca 0.27 -0.21 -0.04 0.00 -0.85 0.00 0.00 60.65 59.83 1j2r h LYS 54 Cb 0.21 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.74 1j2r h LYS 54 CO -0.02 0.78 0.17 0.74 -3.45 0.00 0.00 179.45 177.66 1j2r h PHE 55 N 0.58 0.77 -0.71 1.91 -1.00 -0.92 -1.86 116.94 115.71 1j2r h PHE 55 Ca 0.13 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.82 1j2r h PHE 55 Cb 0.42 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 39.72 1j2r h PHE 55 CO 0.03 0.67 0.37 0.00 -1.61 0.00 0.00 178.31 177.77 1j2r h ARG 56 N 0.65 1.01 0.00 1.51 3.08 -0.95 -1.14 114.38 118.54 1j2r h ARG 56 Ca 0.16 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1j2r h ARG 56 Cb 0.25 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 1j2r h ARG 56 CO -0.01 0.77 -0.26 0.00 -1.07 0.00 0.00 179.97 179.41 1j2r h ALA 57 N 1.18 1.39 -0.00 0.04 0.00 -1.13 -2.21 119.26 118.53 1j2r h ALA 57 Ca 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j2r h ALA 57 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1j2r h ALA 57 CO -0.04 0.32 -0.27 0.43 0.00 0.00 0.00 179.25 179.70 1j2r n SER 58 N -3.97 0.51 -0.91 0.00 7.64 -0.71 -4.96 113.62 111.22 1j2r n SER 58 Ca -0.02 -0.34 -0.09 0.00 1.01 0.00 0.00 58.87 59.44 1j2r n SER 58 Cb 0.33 0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.54 1j2r n SER 58 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j2r n GLY 59 N 1.41 0.24 3.78 0.23 0.00 -0.74 -5.04 105.19 105.07 1j2r n GLY 59 Ca 0.09 -0.55 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.06 2.87 0.39 1.61 -1.52 -0.51 -5.03 119.66 113.41 1j2r s GLN 60 Ca 0.00 -0.75 -0.27 0.00 -1.95 0.00 0.00 55.36 52.39 1j2r s GLN 60 Cb 0.00 -2.69 -0.09 0.00 -0.22 0.00 0.00 33.01 30.01 1j2r s GLN 60 CO 0.00 0.54 1.30 -2.14 -0.25 0.00 0.00 175.29 174.74 1j2r s PRO 61 N -2.59 4.06 -0.18 2.91 0.02 -1.26 -4.31 135.00 133.64 1j2r s PRO 61 Ca 0.30 2.16 0.01 0.00 0.02 0.00 0.00 61.00 63.48 1j2r s PRO 61 Cb -0.12 -2.82 0.02 0.00 0.02 0.00 0.00 34.50 31.60 1j2r s PRO 61 CO 0.22 -0.42 -0.20 0.08 -0.33 0.00 0.00 177.00 176.36 1j2r s VAL 62 N -1.24 2.09 -0.29 3.83 1.01 -1.26 -1.85 120.40 122.69 1j2r s VAL 62 Ca 0.55 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.50 1j2r s VAL 62 Cb -0.38 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1j2r s VAL 62 CO 0.49 0.53 0.15 -0.36 0.00 0.00 0.00 175.10 175.92 1j2r s PHE 63 N 1.29 3.17 -0.37 5.22 0.40 0.23 -0.67 117.98 127.25 1j2r s PHE 63 Ca 0.05 -0.25 -0.11 0.00 -0.60 0.00 0.00 56.93 56.02 1j2r s PHE 63 Cb -0.13 -2.34 0.02 0.00 0.51 0.00 0.00 43.02 41.08 1j2r s PHE 63 CO -0.13 -0.32 0.21 -0.51 0.70 0.00 0.00 175.22 175.18 1j2r s LEU 64 N 1.68 4.71 -0.12 -0.37 1.43 -0.05 -1.24 118.68 124.71 1j2r s LEU 64 Ca 0.06 -0.95 -0.12 0.00 -1.03 0.00 0.00 54.13 52.10 1j2r s LEU 64 Cb -0.16 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 1j2r s LEU 64 CO 0.08 -0.38 0.25 -0.69 0.23 0.00 0.00 176.35 175.84 1j2r s VAL 65 N 1.57 5.32 0.09 -1.59 1.01 -0.34 -1.10 120.40 125.37 1j2r s VAL 65 Ca 0.03 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.51 1j2r s VAL 65 Cb -0.19 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1j2r s VAL 65 CO 0.07 0.50 -0.11 -0.13 0.00 0.00 0.00 175.10 175.43 1j2r s ARG 66 N -0.26 0.83 0.03 2.72 0.52 -0.16 -0.66 118.95 121.98 1j2r s ARG 66 Ca 0.16 -1.09 0.08 0.00 -0.52 0.00 0.00 55.73 54.36 1j2r s ARG 66 Cb -0.13 -0.59 -0.03 0.00 0.52 0.00 0.00 34.95 34.72 1j2r s ARG 66 CO 0.05 0.10 -0.23 0.54 0.02 0.00 0.00 175.30 175.78 1j2r s VAL 67 N -2.13 2.37 -3.29 3.52 0.11 -1.26 -0.83 120.40 118.89 1j2r s VAL 67 Ca 0.03 -1.28 0.00 0.00 -2.93 0.00 0.00 61.98 57.80 1j2r s VAL 67 Cb -0.05 -1.94 0.00 0.00 -1.53 0.00 0.00 36.38 32.86 1j2r s VAL 67 CO 0.01 0.39 0.00 0.61 -3.33 0.00 0.00 175.10 172.77 1j2r n GLY 68 N 1.79 -1.54 3.22 6.54 0.00 -1.04 -4.95 105.19 109.21 1j2r n GLY 68 Ca -0.17 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.80 0.01 1.00 1.61 0.51 -1.26 -4.55 118.94 113.47 1j2r s TRP 69 Ca 0.00 -0.27 -0.12 0.00 -2.12 0.00 0.00 56.10 53.59 1j2r s TRP 69 Cb 0.00 0.02 0.19 0.00 -0.81 0.00 0.00 33.47 32.87 1j2r s TRP 69 CO 0.00 -0.50 1.09 -1.12 -0.51 0.00 0.00 176.95 175.91 1j2r s SER 70 N -2.33 2.56 0.44 2.95 0.01 -1.26 -4.86 113.70 111.21 1j2r s SER 70 Ca -0.02 1.23 0.14 0.00 1.31 0.00 0.00 55.95 58.62 1j2r s SER 70 Cb 0.01 -1.91 1.04 0.00 0.21 0.00 0.00 66.02 65.37 1j2r s SER 70 CO -0.06 -3.18 1.97 0.00 0.41 0.00 0.00 173.24 172.38 1j2r h ALA 71 N -1.92 2.05 -0.00 1.44 0.00 -2.01 0.41 119.26 119.21 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 1.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1j2r h ALA 71 CO 0.57 -0.19 -0.02 -0.40 0.00 0.00 0.00 179.25 179.20 1j2r n ASP 72 N -4.47 0.20 -2.06 0.00 5.68 -1.26 -4.92 116.55 109.72 1j2r n ASP 72 Ca 0.10 -0.64 -0.18 0.00 -0.50 0.00 0.00 54.79 53.57 1j2r n ASP 72 Cb 0.40 -0.11 -0.04 0.00 -1.14 0.00 0.00 41.12 40.23 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 -1.02 -0.73 0.22 2.11 4.01 0.13 -4.86 117.16 117.03 1j2r n TYR 73 Ca 0.18 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.98 1j2r n TYR 73 Cb 0.21 -3.44 0.52 0.00 -0.31 0.00 0.00 39.34 36.31 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 0.70 1.61 -0.00 -0.72 0.00 -1.91 -2.22 119.26 116.71 1j2r h ALA 74 Ca -0.41 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1j2r h ALA 74 Cb 1.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1j2r h ALA 74 CO 0.53 0.24 -0.07 0.39 0.00 0.00 0.00 179.25 180.34 1j2r n GLU 75 N -4.21 0.89 -3.04 0.00 4.71 -1.26 -4.91 120.64 112.81 1j2r n GLU 75 Ca -0.02 -0.31 -0.33 0.00 -0.01 0.00 0.00 57.16 56.49 1j2r n GLU 75 Cb 0.26 -1.49 -0.06 0.00 -1.01 0.00 0.00 31.44 29.13 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 -2.32 3.26 0.29 0.62 0.00 -0.84 -4.90 121.76 117.87 1j2r s ALA 76 Ca 0.33 0.16 -0.29 0.00 0.00 0.00 0.00 51.96 52.16 1j2r s ALA 76 Cb 0.20 -2.88 -0.10 0.00 0.00 0.00 0.00 23.12 20.34 1j2r s ALA 76 CO 0.44 0.28 1.25 -0.51 0.00 0.00 0.00 175.76 177.21 1j2r s LEU 77 N -2.87 4.46 -0.01 0.00 1.43 -1.26 -4.97 118.68 115.46 1j2r s LEU 77 Ca 0.54 2.51 0.02 0.00 -1.03 0.00 0.00 54.13 56.17 1j2r s LEU 77 Cb -0.11 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.50 1j2r s LEU 77 CO 0.17 -0.42 0.85 0.29 0.23 0.00 0.00 176.35 177.47 1j2r n LYS 78 N 1.28 1.68 -1.73 1.70 4.01 -1.26 -5.08 118.16 118.75 1j2r n LYS 78 Ca 0.01 -1.23 -0.36 0.00 -0.51 0.00 0.00 58.31 56.21 1j2r n LYS 78 Cb 0.43 -0.85 0.07 0.00 -0.51 0.00 0.00 35.03 34.17 1j2r n LYS 78 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1j2r s GLN 79 N -0.77 2.54 0.23 1.97 1.11 -1.26 -4.92 119.66 118.56 1j2r s GLN 79 Ca 0.03 1.99 -0.31 0.00 0.01 0.00 0.00 55.36 57.08 1j2r s GLN 79 Cb 0.02 -1.85 -0.11 0.00 -1.01 0.00 0.00 33.01 30.06 1j2r s GLN 79 CO 0.00 -1.59 1.65 -1.25 0.01 0.00 0.00 175.29 174.12 1j2r s PRO 80 N -3.45 4.14 0.14 2.91 0.04 -1.26 -5.01 135.00 132.51 1j2r s PRO 80 Ca 0.81 2.55 0.00 0.00 0.04 0.00 0.00 61.00 64.41 1j2r s PRO 80 Cb -0.35 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.07 1j2r s PRO 80 CO 0.40 -0.69 0.02 0.14 0.04 0.00 0.00 177.00 176.91 1j2r s VAL 81 N 0.78 0.39 0.25 -0.36 -7.23 -1.26 -5.07 120.40 107.90 1j2r s VAL 81 Ca 0.70 -1.93 0.08 0.00 -1.81 0.00 0.00 61.98 59.02 1j2r s VAL 81 Cb -0.48 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 1j2r s VAL 81 CO 0.37 -0.54 1.58 0.44 -0.31 0.00 0.00 175.10 176.64 1j2r h ASP 82 N 2.83 0.09 -2.14 4.85 3.32 -2.06 -3.38 116.42 119.93 1j2r h ASP 82 Ca -0.36 -0.05 -0.58 0.00 0.02 0.00 0.00 57.03 56.06 1j2r h ASP 82 Cb 1.19 -0.03 -0.40 0.00 0.22 0.00 0.00 39.33 40.32 1j2r h ASP 82 CO 0.62 0.70 -0.90 0.00 -1.72 0.00 0.00 179.24 177.94 1j2r n ALA 83 N -2.44 3.07 -1.79 3.45 0.00 -1.26 -5.11 120.51 116.44 1j2r n ALA 83 Ca -0.02 -3.91 -0.35 0.00 0.00 0.00 0.00 53.44 49.17 1j2r n ALA 83 Cb 0.63 -0.85 -0.02 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 -1.56 3.67 0.15 0.00 0.04 -1.26 -5.03 135.00 131.01 1j2r s PRO 84 Ca 0.36 1.49 -0.25 0.00 0.04 0.00 0.00 61.00 62.65 1j2r s PRO 84 Cb 0.14 -2.12 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1j2r s PRO 84 CO -0.08 -0.56 0.75 -1.12 0.04 0.00 0.00 177.00 176.02 1j2r s SER 85 N -1.83 7.34 0.33 6.66 0.01 -1.26 -5.05 113.70 119.91 1j2r s SER 85 Ca 0.68 1.59 -0.28 0.00 1.31 0.00 0.00 55.95 59.25 1j2r s SER 85 Cb -0.20 -2.48 -0.10 0.00 0.21 0.00 0.00 66.02 63.45 1j2r s SER 85 CO 0.24 0.21 1.19 -2.16 0.41 0.00 0.00 173.24 173.13 1j2r s PRO 86 N -1.10 4.38 -1.32 12.44 0.04 -1.26 -4.93 135.00 143.26 1j2r s PRO 86 Ca 0.35 1.95 -0.10 0.00 0.04 0.00 0.00 61.00 63.24 1j2r s PRO 86 Cb -0.23 -3.00 0.14 0.00 0.04 0.00 0.00 34.50 31.45 1j2r s PRO 86 CO 0.25 -0.07 1.97 0.00 0.04 0.00 0.00 177.00 179.19 1j2r n ALA 87 N 0.74 5.49 -2.18 8.56 0.00 -1.26 -4.97 120.51 126.89 1j2r n ALA 87 Ca 0.01 -4.22 -0.28 0.00 0.00 0.00 0.00 53.44 48.95 1j2r n ALA 87 Cb 0.44 -3.07 0.01 0.00 0.00 0.00 0.00 19.45 16.83 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 0.81 3.42 0.09 0.00 2.47 -1.26 -5.01 119.74 120.27 1j2r s LYS 88 Ca 0.42 0.23 -0.31 0.00 -1.56 0.00 0.00 55.97 54.74 1j2r s LYS 88 Cb 0.11 -2.32 -0.08 0.00 -1.46 0.00 0.00 37.83 34.08 1j2r s LYS 88 CO -0.02 -0.35 1.57 0.08 0.16 0.00 0.00 175.35 176.79 1j2r s VAL 89 N -2.85 3.02 0.35 4.02 1.01 -1.26 -4.95 120.40 119.74 1j2r s VAL 89 Ca 0.50 0.59 -0.27 0.00 0.00 0.00 0.00 61.98 62.79 1j2r s VAL 89 Cb -0.10 -3.38 -0.09 0.00 0.00 0.00 0.00 36.38 32.80 1j2r s VAL 89 CO 0.46 0.02 1.22 -0.76 0.00 0.00 0.00 175.10 176.04 1j2r s LEU 90 N 2.04 4.35 0.80 3.92 1.43 -1.26 -4.99 118.68 124.97 1j2r s LEU 90 Ca 0.71 2.49 -0.12 0.00 -1.03 0.00 0.00 54.13 56.18 1j2r s LEU 90 Cb -0.40 -3.79 0.08 0.00 0.03 0.00 0.00 46.19 42.11 1j2r s LEU 90 CO 0.31 -0.54 1.16 -2.16 0.23 0.00 0.00 176.35 175.35 1j2r s PRO 91 N -1.93 1.79 0.46 1.29 0.04 -1.26 -4.90 135.00 130.49 1j2r s PRO 91 Ca 0.51 1.56 0.12 0.00 0.04 0.00 0.00 61.00 63.24 1j2r s PRO 91 Cb -0.35 -1.81 1.07 0.00 0.04 0.00 0.00 34.50 33.45 1j2r s PRO 91 CO 0.46 -2.06 2.09 0.93 0.04 0.00 0.00 177.00 178.46 1j2r h GLU 92 N -0.99 0.27 -0.26 4.56 4.39 -2.04 -1.98 114.58 118.53 1j2r h GLU 92 Ca -0.45 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1j2r h GLU 92 Cb 1.27 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1j2r h GLU 92 CO 0.47 0.18 0.00 0.27 -1.16 0.00 0.00 179.01 178.77 1j2r n ASN 93 N -4.50 1.64 -0.23 1.42 6.94 -1.26 -4.63 115.26 114.63 1j2r n ASN 93 Ca 0.01 -1.88 0.03 0.00 -0.02 0.00 0.00 54.58 52.71 1j2r n ASN 93 Cb 0.11 -0.17 0.13 0.00 -2.36 0.00 0.00 39.78 37.48 1j2r n ASN 93 CO 0.00 0.00 0.00 -0.25 -1.03 0.00 0.00 177.26 175.98 1j2r h TRP 94 N 1.91 -0.05 -0.01 -2.53 2.91 -1.71 -1.47 115.95 115.01 1j2r h TRP 94 Ca 0.00 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1j2r h TRP 94 Cb 0.43 0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.21 1j2r h TRP 94 CO 0.17 -0.20 -0.28 0.91 -1.03 0.00 0.00 178.44 178.01 1j2r n TRP 95 N -5.31 0.00 -2.17 2.65 7.02 -1.26 -1.77 117.44 116.59 1j2r n TRP 95 Ca 0.11 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.17 1j2r n TRP 95 Cb 0.41 -0.15 -0.03 0.00 -2.42 0.00 0.00 31.31 29.12 1j2r n TRP 95 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 1j2r s GLN 96 N -2.59 4.33 0.15 -0.99 2.00 -0.55 -4.72 119.66 117.29 1j2r s GLN 96 Ca 0.22 2.09 -0.30 0.00 -2.00 0.00 0.00 55.36 55.37 1j2r s GLN 96 Cb 0.19 -3.22 -0.08 0.00 0.80 0.00 0.00 33.01 30.70 1j2r s GLN 96 CO 0.55 -0.39 1.28 -1.01 -0.50 0.00 0.00 175.29 175.22 1j2r s HIS 97 N 0.77 3.33 0.37 1.67 3.76 -1.26 -0.69 115.29 123.24 1j2r s HIS 97 Ca 0.62 1.22 -0.28 0.00 -0.15 0.00 0.00 55.06 56.47 1j2r s HIS 97 Cb -0.37 -3.54 -0.11 0.00 1.11 0.00 0.00 32.58 29.67 1j2r s HIS 97 CO 0.33 -1.72 1.45 -2.14 -0.85 0.00 0.00 174.74 171.81 1j2r s PRO 98 N 0.40 4.16 0.40 8.40 0.02 -1.26 -4.90 135.00 142.22 1j2r s PRO 98 Ca 0.58 2.49 0.13 0.00 0.02 0.00 0.00 61.00 64.22 1j2r s PRO 98 Cb -0.34 -2.99 0.97 0.00 0.02 0.00 0.00 34.50 32.16 1j2r s PRO 98 CO 0.34 -0.46 1.91 0.00 -0.33 0.00 0.00 177.00 178.46 1j2r h ALA 99 N 3.07 2.01 0.00 -1.55 0.00 -1.99 -2.28 119.26 118.52 1j2r h ALA 99 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1j2r h ALA 99 Cb 1.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1j2r h ALA 99 CO 0.64 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1j2r h ALA 100 N 1.63 1.00 0.00 0.00 0.00 -1.93 -1.05 119.26 118.91 1j2r h ALA 100 Ca 0.39 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 1j2r h ALA 100 Cb 0.77 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1j2r h ALA 100 CO -0.14 0.00 -0.22 -0.07 0.00 0.00 0.00 179.25 178.82 1j2r h LEU 101 N 0.00 0.00 0.13 0.00 4.07 -1.66 -3.40 115.31 114.45 1j2r h LEU 101 Ca 0.00 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.71 1j2r h LEU 101 Cb 0.22 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.01 1j2r h LEU 101 CO 0.00 0.22 -0.39 0.61 -1.08 0.00 0.00 178.44 177.80 1j2r n GLY 102 N -0.41 -0.05 3.62 0.83 0.00 -0.40 -4.76 105.19 104.02 1j2r n GLY 102 Ca -0.01 -0.19 -0.47 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.04 0.79 -4.34 2.61 -1.04 -1.26 -4.99 114.28 102.01 1j2r n THR 103 Ca -0.05 -0.20 -0.17 0.00 -2.04 0.00 0.00 64.05 61.59 1j2r n THR 103 Cb 0.57 -1.11 -0.10 0.00 -1.82 0.00 0.00 70.33 67.87 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 -0.02 0.91 0.47 12.58 -1.32 -1.26 -5.06 115.64 121.94 1j2r s THR 104 Ca 0.73 -2.02 0.12 0.00 -1.21 0.00 0.00 61.69 59.32 1j2r s THR 104 Cb -0.78 -2.47 0.25 0.00 -1.51 0.00 0.00 72.50 67.99 1j2r s THR 104 CO 0.50 -0.21 2.08 -0.78 -2.21 0.00 0.00 174.62 174.01 1j2r h ASP 105 N 2.41 0.17 1.41 8.08 3.58 -2.04 -2.21 116.42 127.81 1j2r h ASP 105 Ca -0.39 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.06 1j2r h ASP 105 Cb 1.23 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1j2r h ASP 105 CO 0.64 0.16 0.00 0.77 -2.88 0.00 0.00 179.24 177.93 1j2r h SER 106 N 0.19 0.00 -3.94 2.28 4.64 -1.99 -3.44 113.55 111.29 1j2r h SER 106 Ca 0.05 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.83 1j2r h SER 106 Cb 0.05 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.24 1j2r h SER 106 CO -0.01 0.00 0.74 -1.81 -0.87 0.00 0.00 176.83 174.88 1j2r s ASP 107 N -5.18 6.36 -0.32 4.97 1.01 -0.83 -4.81 116.67 117.87 1j2r s ASP 107 Ca 0.07 2.95 -0.18 0.00 0.71 0.00 0.00 52.55 56.10 1j2r s ASP 107 Cb 0.09 -2.66 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 1j2r s ASP 107 CO 0.57 -0.85 0.49 -0.63 0.21 0.00 0.00 175.17 174.96 1j2r s ILE 108 N -1.14 5.05 -0.22 0.77 1.01 0.15 -4.94 121.20 121.88 1j2r s ILE 108 Ca 0.53 0.48 -0.23 0.00 0.00 0.00 0.00 60.65 61.43 1j2r s ILE 108 Cb -0.45 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.11 1j2r s ILE 108 CO 0.60 -0.10 0.73 -1.61 0.00 0.00 0.00 174.94 174.56 1j2r s GLU 109 N 2.33 4.20 -0.12 2.79 0.41 -1.26 -0.88 118.70 126.17 1j2r s GLU 109 Ca 0.19 0.79 -0.02 0.00 -0.41 0.00 0.00 54.97 55.52 1j2r s GLU 109 Cb -0.16 -3.61 -0.03 0.00 -1.78 0.00 0.00 34.13 28.56 1j2r s GLU 109 CO 0.12 -0.38 -0.06 0.42 -0.49 0.00 0.00 175.26 174.87 1j2r s ILE 110 N 2.36 3.70 -0.20 -1.63 -1.09 -0.26 -4.96 121.20 119.12 1j2r s ILE 110 Ca 0.32 -0.45 -0.01 0.00 -2.23 0.00 0.00 60.65 58.28 1j2r s ILE 110 Cb -0.16 -2.57 0.01 0.00 -1.58 0.00 0.00 42.46 38.15 1j2r s ILE 110 CO 0.10 0.53 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.59 1j2r s ILE 111 N -0.03 2.72 0.31 2.92 -1.09 -1.26 -0.99 121.20 123.79 1j2r s ILE 111 Ca 0.00 -0.72 0.10 0.00 -2.23 0.00 0.00 60.65 57.80 1j2r s ILE 111 Cb -0.13 -2.20 -0.05 0.00 -1.58 0.00 0.00 42.46 38.50 1j2r s ILE 111 CO 0.03 0.48 -0.06 -1.59 -1.23 0.00 0.00 174.94 172.58 1j2r s LYS 112 N 1.35 1.98 -0.01 2.79 -2.85 -0.01 -4.75 119.74 118.25 1j2r s LYS 112 Ca 0.05 -1.72 0.02 0.00 -1.00 0.00 0.00 55.97 53.31 1j2r s LYS 112 Cb -0.14 -1.90 0.03 0.00 -2.06 0.00 0.00 37.83 33.77 1j2r s LYS 112 CO -0.08 0.22 0.96 0.54 0.10 0.00 0.00 175.35 177.10 1j2r n ARG 113 N -0.84 2.46 -0.89 1.78 5.12 -1.26 -2.49 116.66 120.54 1j2r n ARG 113 Ca -0.05 -1.50 0.00 0.00 -1.93 0.00 0.00 57.85 54.37 1j2r n ARG 113 Cb 0.61 -0.99 0.00 0.00 -1.16 0.00 0.00 32.46 30.92 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 -0.54 0.00 0.45 5.56 0.00 -1.26 -4.59 117.38 117.01 1j2r n GLN 114 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 57.00 56.82 1j2r n GLN 114 Cb 0.32 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.46 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 0.84 -1.32 -4.00 2.61 4.06 -1.94 -3.44 115.95 112.77 1j2r h TRP 115 Ca 0.00 -0.02 -0.46 0.00 2.06 0.00 0.00 58.89 60.47 1j2r h TRP 115 Cb 0.00 0.47 0.00 0.00 -1.00 0.00 0.00 29.16 28.63 1j2r h TRP 115 CO 0.00 -0.75 0.37 0.20 -3.56 0.00 0.00 178.44 174.70 1j2r s GLY 116 N -2.03 2.60 0.00 1.49 0.00 -1.26 -4.36 107.32 103.75 1j2r s GLY 116 Ca -0.19 0.56 0.21 0.00 0.00 0.00 0.00 44.72 45.30 1j2r s GLY 116 CO 0.60 0.93 1.51 0.00 0.00 0.00 0.00 173.10 176.13 1j2r n ALA 117 N -0.32 2.50 -0.13 3.20 0.00 -1.26 -4.26 120.51 120.25 1j2r n ALA 117 Ca 0.06 -0.61 -0.26 0.00 0.00 0.00 0.00 53.44 52.64 1j2r n ALA 117 Cb 0.52 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 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 0.53 0.11 -1.88 0.00 3.72 -1.26 -4.53 117.46 114.15 1j2r n PHE 118 Ca 0.16 0.04 -0.42 0.00 -0.05 0.00 0.00 57.45 57.18 1j2r n PHE 118 Cb 0.38 -1.01 -0.03 0.00 -0.94 0.00 0.00 39.48 37.87 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 -2.50 2.43 -0.18 1.38 5.04 -1.26 -1.86 117.35 120.39 1j2r s TYR 119 Ca -0.37 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 54.54 1j2r s TYR 119 Cb 0.12 -4.01 0.00 0.00 0.35 0.00 0.00 41.96 38.43 1j2r s TYR 119 CO 0.54 -4.03 0.00 0.41 -1.34 0.00 0.00 175.55 171.13 1j2r n GLY 120 N 4.02 0.47 3.75 8.97 0.00 -1.26 -4.73 105.19 116.41 1j2r n GLY 120 Ca 0.16 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.79 1.10 -1.09 2.61 -4.23 -0.78 -4.98 115.64 106.48 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 -2.14 0.70 0.00 1.34 0.00 0.00 72.50 72.40 1j2r s THR 121 CO 0.00 0.00 1.61 -0.90 -0.54 0.00 0.00 174.62 174.79 1j2r n ASP 122 N -1.28 4.66 -0.01 3.99 5.75 -1.26 -4.69 116.55 123.70 1j2r n ASP 122 Ca -0.19 -2.45 -0.11 0.00 -0.01 0.00 0.00 54.79 52.03 1j2r n ASP 122 Cb 0.67 -0.56 -0.05 0.00 -1.03 0.00 0.00 41.12 40.14 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 3.92 0.13 -0.30 -2.12 5.85 -1.85 -0.26 115.31 120.68 1j2r h LEU 123 Ca 0.00 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1j2r h LEU 123 Cb 1.42 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.40 1j2r h LEU 123 CO 0.22 0.16 0.13 -0.08 -0.34 0.00 0.00 178.44 178.54 1j2r h GLU 124 N 0.09 0.43 -0.43 1.25 4.81 -1.88 -1.41 114.58 117.45 1j2r h GLU 124 Ca 0.04 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 1j2r h GLU 124 Cb 0.06 -0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.29 1j2r h GLU 124 CO -0.01 0.43 0.00 1.25 -0.73 0.00 0.00 179.01 179.95 1j2r h LEU 125 N 0.34 -0.17 -0.29 1.64 6.46 -1.84 -1.04 115.31 120.41 1j2r h LEU 125 Ca 0.10 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 1j2r h LEU 125 Cb 0.14 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 1j2r h LEU 125 CO -0.01 -0.05 0.10 1.56 -0.62 0.00 0.00 178.44 179.42 1j2r h GLN 126 N 0.11 0.44 -0.17 1.25 1.08 -0.79 -0.83 115.11 116.20 1j2r h GLN 126 Ca 0.21 -0.09 0.01 0.00 -1.45 0.00 0.00 58.65 57.33 1j2r h GLN 126 Cb 0.30 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1j2r h GLN 126 CO -0.35 0.49 0.08 -0.07 -0.95 0.00 0.00 178.83 178.03 1j2r h LEU 127 N 0.31 0.11 -0.20 1.46 3.38 -0.96 -1.52 115.31 117.89 1j2r h LEU 127 Ca 0.09 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1j2r h LEU 127 Cb 0.22 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1j2r h LEU 127 CO -0.00 0.09 -0.26 0.03 0.09 0.00 0.00 178.44 178.39 1j2r h ARG 128 N 0.17 0.53 0.00 1.13 3.08 -1.08 -0.68 114.38 117.53 1j2r h ARG 128 Ca 0.07 -0.30 -0.03 0.00 0.07 0.00 0.00 59.98 59.79 1j2r h ARG 128 Cb 0.02 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1j2r h ARG 128 CO -0.05 0.90 -0.14 0.00 -1.07 0.00 0.00 179.97 179.60 1j2r h ARG 129 N 0.20 0.00 -0.04 0.04 3.08 -1.13 -1.97 114.38 114.57 1j2r h ARG 129 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1j2r h ARG 129 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1j2r h ARG 129 CO 0.06 0.14 0.00 0.54 -1.07 0.00 0.00 179.97 179.65 1j2r n ARG 130 N -3.31 1.47 -2.32 0.04 1.74 -0.58 -4.95 116.66 108.75 1j2r n ARG 130 Ca 0.00 -0.69 -0.09 0.00 -0.77 0.00 0.00 57.85 56.31 1j2r n ARG 130 Cb 0.38 -1.45 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 1.09 0.09 3.72 -0.13 0.00 -0.74 -5.02 105.19 104.20 1j2r n GLY 131 Ca 0.19 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.57 5.23 -0.51 -0.61 -1.09 -0.29 -4.66 121.20 116.70 1j2r s ILE 132 Ca 0.05 0.78 0.05 0.00 -2.23 0.00 0.00 60.65 59.30 1j2r s ILE 132 Cb -0.02 -3.74 0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1j2r s ILE 132 CO 0.06 0.34 0.50 -0.90 -1.23 0.00 0.00 174.94 173.71 1j2r n ASP 133 N 3.75 1.02 -3.86 3.58 5.68 -0.15 -4.55 116.55 122.02 1j2r n ASP 133 Ca -0.09 -1.01 -0.16 0.00 -0.50 0.00 0.00 54.79 53.03 1j2r n ASP 133 Cb 0.52 0.35 -0.16 0.00 -1.14 0.00 0.00 41.12 40.69 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 -0.80 0.22 -0.09 2.12 2.01 -0.91 -0.79 115.64 117.40 1j2r s THR 134 Ca 0.05 -0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.08 1j2r s THR 134 Cb 0.04 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.28 1j2r s THR 134 CO 0.11 0.12 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.31 1j2r s ILE 135 N 0.63 1.95 -0.24 1.82 1.01 -0.04 -1.27 121.20 125.06 1j2r s ILE 135 Ca -0.06 -0.96 -0.15 0.00 0.00 0.00 0.00 60.65 59.48 1j2r s ILE 135 Cb -0.10 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1j2r s ILE 135 CO -0.01 0.54 0.36 -0.69 0.00 0.00 0.00 174.94 175.14 1j2r s VAL 136 N 0.32 5.20 -0.07 2.92 1.01 0.09 -0.85 120.40 129.02 1j2r s VAL 136 Ca -0.17 0.58 0.03 0.00 0.00 0.00 0.00 61.98 62.43 1j2r s VAL 136 Cb -0.17 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1j2r s VAL 136 CO 0.08 0.21 -0.16 -0.22 0.00 0.00 0.00 175.10 175.01 1j2r s LEU 137 N 1.71 2.61 0.26 3.92 2.96 -0.04 -0.56 118.68 129.55 1j2r s LEU 137 Ca 0.16 -0.28 -0.12 0.00 -0.22 0.00 0.00 54.13 53.66 1j2r s LEU 137 Cb -0.15 -1.53 -0.00 0.00 0.50 0.00 0.00 46.19 45.00 1j2r s LEU 137 CO 0.09 0.29 0.49 0.00 -1.32 0.00 0.00 176.35 175.90 1j2r n GLY 139 N -0.40 0.78 3.09 0.00 0.00 -0.40 -0.54 105.19 107.72 1j2r n GLY 139 Ca -0.02 -2.06 -0.25 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.65 1.28 -0.05 -0.61 1.01 -0.73 -2.61 121.20 117.84 1j2r s ILE 140 Ca 0.00 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 1j2r s ILE 140 Cb 0.00 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 1j2r s ILE 140 CO 0.00 0.38 0.06 -0.55 0.00 0.00 0.00 174.94 174.83 1j2r s SER 141 N 0.22 5.61 0.24 3.58 0.15 -1.26 -4.50 113.70 117.74 1j2r s SER 141 Ca -0.07 0.19 -0.10 0.00 0.70 0.00 0.00 55.95 56.67 1j2r s SER 141 Cb -0.12 -1.63 0.35 0.00 -1.71 0.00 0.00 66.02 62.91 1j2r s SER 141 CO 0.03 0.33 1.61 0.74 1.20 0.00 0.00 173.24 177.15 1j2r h THR 142 N 3.69 0.26 -0.18 6.45 2.02 -1.26 -1.35 112.91 122.54 1j2r h THR 142 Ca -0.51 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1j2r h THR 142 Cb 1.19 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1j2r h THR 142 CO 0.58 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 176.02 1j2r n ASN 143 N -5.46 3.07 0.00 4.18 6.94 -1.26 -2.45 115.26 120.27 1j2r n ASN 143 Ca 0.12 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.71 1j2r n ASN 143 Cb 0.42 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 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 1.32 0.00 -0.15 1.53 2.08 -0.58 -4.65 119.36 118.90 1j2r n ILE 144 Ca 0.16 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.39 1j2r n ILE 144 Cb 0.58 -0.04 0.05 0.00 -0.75 0.00 0.00 39.64 39.48 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 1.02 0.99 7.39 0.00 -1.74 -0.59 103.07 110.14 1j2r h GLY 145 Ca 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.51 1j2r h GLY 145 CO 0.00 0.74 0.29 -2.08 0.00 0.00 0.00 176.54 175.49 1j2r h VAL 146 N 0.85 1.17 -0.18 4.60 2.07 -1.58 -1.95 116.25 121.22 1j2r h VAL 146 Ca 0.13 -0.40 -0.20 0.00 0.82 0.00 0.00 66.70 67.05 1j2r h VAL 146 Cb 0.65 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1j2r h VAL 146 CO 0.05 0.17 -0.68 -0.08 0.02 0.00 0.00 177.57 177.04 1j2r h GLU 147 N 0.68 0.72 -0.86 1.57 4.81 -1.19 -0.35 114.58 119.95 1j2r h GLU 147 Ca 0.18 -0.53 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 1j2r h GLU 147 Cb 0.02 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 1j2r h GLU 147 CO -0.03 1.15 0.48 0.77 -0.73 0.00 0.00 179.01 180.66 1j2r h SER 148 N 0.51 1.06 -0.49 1.04 0.02 -1.08 -0.51 113.55 114.11 1j2r h SER 148 Ca -0.02 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1j2r h SER 148 Cb 1.29 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 1j2r h SER 148 CO 0.14 0.85 0.23 0.74 -1.14 0.00 0.00 176.83 177.64 1j2r h THR 149 N 1.19 1.19 -0.15 -2.27 2.02 -1.13 -2.25 112.91 111.53 1j2r h THR 149 Ca 0.30 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1j2r h THR 149 Cb 0.01 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1j2r h THR 149 CO -0.05 0.22 0.06 0.00 0.37 0.00 0.00 175.52 176.12 1j2r h ALA 150 N 1.07 0.19 -0.37 6.16 0.00 -0.67 0.10 119.26 125.74 1j2r h ALA 150 Ca 0.17 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1j2r h ALA 150 Cb 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1j2r h ALA 150 CO -0.02 -0.24 0.19 0.00 0.00 0.00 0.00 179.25 179.19 1j2r h ARG 151 N 0.09 0.38 -0.14 0.00 3.08 -1.07 -0.58 114.38 116.15 1j2r h ARG 151 Ca 0.05 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.10 1j2r h ARG 151 Cb 0.14 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1j2r h ARG 151 CO -0.01 0.25 0.01 -0.91 -1.07 0.00 0.00 179.97 178.25 1j2r h ASN 152 N 0.39 -0.03 -0.91 7.04 -0.26 -1.25 -2.27 115.58 118.29 1j2r h ASN 152 Ca 0.16 0.03 -0.01 0.00 -0.56 0.00 0.00 56.30 55.91 1j2r h ASN 152 Cb 0.05 0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 37.31 1j2r h ASN 152 CO -0.10 0.01 0.53 0.00 -1.06 0.00 0.00 177.43 176.81 1j2r h ALA 153 N 1.11 1.17 -0.26 -0.83 0.00 -0.54 -1.18 119.26 118.73 1j2r h ALA 153 Ca 0.06 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1j2r h ALA 153 Cb 0.07 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1j2r h ALA 153 CO -0.10 0.65 -0.02 2.35 0.00 0.00 0.00 179.25 182.13 1j2r h TRP 154 N 1.27 0.53 -0.17 0.00 7.01 -1.01 -2.06 115.95 121.52 1j2r h TRP 154 Ca 0.33 -0.10 -0.02 0.00 2.11 0.00 0.00 58.89 61.20 1j2r h TRP 154 Cb -0.02 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 26.89 1j2r h TRP 154 CO 0.01 0.65 0.00 0.93 -2.79 0.00 0.00 178.44 177.24 1j2r h GLU 155 N 0.25 0.24 0.00 2.65 5.08 -0.94 -1.61 114.58 120.25 1j2r h GLU 155 Ca 0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1j2r h GLU 155 Cb 0.46 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1j2r h GLU 155 CO 0.02 0.26 0.00 1.28 -1.00 0.00 0.00 179.01 179.57 1j2r n LEU 156 N -4.40 0.00 0.00 1.33 4.77 -0.49 -4.90 117.00 113.31 1j2r n LEU 156 Ca -0.00 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1j2r n LEU 156 Cb 0.17 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1j2r n LEU 156 CO 0.36 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1j2r n GLY 157 N 0.61 0.61 3.76 -0.72 0.00 -0.60 -5.07 105.19 103.78 1j2r n GLY 157 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.04 3.61 0.23 1.61 0.08 -0.80 -5.01 117.98 115.65 1j2r s PHE 158 Ca 0.00 1.73 -0.30 0.00 0.12 0.00 0.00 56.93 58.49 1j2r s PHE 158 Cb 0.00 -3.20 -0.09 0.00 -0.57 0.00 0.00 43.02 39.16 1j2r s PHE 158 CO 0.00 -0.36 1.28 -0.80 -0.10 0.00 0.00 175.22 175.24 1j2r s ASN 159 N -1.05 6.93 -0.06 1.36 0.01 0.03 -4.41 114.94 117.75 1j2r s ASN 159 Ca 0.46 2.42 0.06 0.00 -0.71 0.00 0.00 52.86 55.09 1j2r s ASN 159 Cb -0.29 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 38.74 1j2r s ASN 159 CO 0.37 -0.48 -0.24 -0.22 -1.51 0.00 0.00 177.10 175.03 1j2r s LEU 160 N -0.53 2.15 -0.12 0.60 2.96 -1.26 -0.86 118.68 121.61 1j2r s LEU 160 Ca 0.54 -0.48 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 1j2r s LEU 160 Cb -0.36 -1.39 0.02 0.00 0.50 0.00 0.00 46.19 44.95 1j2r s LEU 160 CO 0.41 0.25 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.86 1j2r s VAL 161 N -0.21 1.48 -0.21 1.68 1.01 -0.03 -1.37 120.40 122.74 1j2r s VAL 161 Ca -0.02 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 1j2r s VAL 161 Cb -0.13 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1j2r s VAL 161 CO 0.03 0.44 0.22 -0.63 0.00 0.00 0.00 175.10 175.16 1j2r s ILE 162 N 1.19 5.33 -0.89 2.22 -1.09 -0.03 -0.86 121.20 127.08 1j2r s ILE 162 Ca -0.02 0.34 -0.20 0.00 -2.23 0.00 0.00 60.65 58.53 1j2r s ILE 162 Cb -0.14 -3.56 0.10 0.00 -1.58 0.00 0.00 42.46 37.29 1j2r s ILE 162 CO -0.05 0.36 1.15 0.00 -1.23 0.00 0.00 174.94 175.17 1j2r s ALA 163 N 0.85 3.20 0.28 9.38 0.00 -0.70 -1.45 121.76 133.31 1j2r s ALA 163 Ca 0.11 -2.47 -0.01 0.00 0.00 0.00 0.00 51.96 49.59 1j2r s ALA 163 Cb -0.13 -4.09 0.47 0.00 0.00 0.00 0.00 23.12 19.37 1j2r s ALA 163 CO 0.03 -3.05 1.89 1.49 0.00 0.00 0.00 175.76 176.12 1j2r h GLU 164 N 9.16 1.07 -0.38 0.00 4.22 -1.53 -1.34 114.58 125.79 1j2r h GLU 164 Ca 0.07 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1j2r h GLU 164 Cb 1.03 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1j2r h GLU 164 CO 1.18 0.71 0.00 -0.40 -2.18 0.00 0.00 179.01 178.32 1j2r n ASP 165 N -4.50 1.97 -0.52 1.04 5.75 -1.26 -3.03 116.55 116.00 1j2r n ASP 165 Ca 0.15 -2.02 0.07 0.00 -0.01 0.00 0.00 54.79 52.98 1j2r n ASP 165 Cb 0.21 -0.25 0.20 0.00 -1.03 0.00 0.00 41.12 40.24 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 0.54 3.44 -2.55 2.12 0.00 -0.51 -4.52 120.51 119.03 1j2r n ALA 166 Ca 0.12 -3.19 -0.21 0.00 0.00 0.00 0.00 53.44 50.15 1j2r n ALA 166 Cb 0.32 -0.36 -0.12 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.13 -0.04 0.44 0.00 0.15 -1.07 -4.44 113.70 106.60 1j2r s SER 168 Ca 0.07 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.52 1j2r s SER 168 Cb -0.08 0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 64.51 1j2r s SER 168 CO 0.04 -0.52 0.10 0.00 1.20 0.00 0.00 173.24 174.05 1j2r n ALA 169 N 0.87 0.52 0.13 5.45 0.00 -0.74 -1.03 120.51 125.72 1j2r n ALA 169 Ca -0.20 -2.13 0.05 0.00 0.00 0.00 0.00 53.44 51.17 1j2r n ALA 169 Cb 0.58 1.34 0.51 0.00 0.00 0.00 0.00 19.45 21.87 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 1.54 1.78 -2.51 0.00 0.00 -1.82 0.24 119.26 118.48 1j2r h ALA 170 Ca -0.35 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1j2r h ALA 170 Cb 1.23 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 1j2r h ALA 170 CO 0.56 0.18 -0.51 -1.54 0.00 0.00 0.00 179.25 177.95 1j2r s SER 171 N -6.89 0.21 0.26 0.00 1.04 -1.26 -4.12 113.70 102.94 1j2r s SER 171 Ca -0.06 -0.63 -0.03 0.00 0.48 0.00 0.00 55.95 55.71 1j2r s SER 171 Cb 0.17 0.25 0.40 0.00 0.10 0.00 0.00 66.02 66.94 1j2r s SER 171 CO 0.71 -0.58 1.86 0.00 0.98 0.00 0.00 173.24 176.21 1j2r h ALA 172 N 3.35 1.33 -0.83 5.32 0.00 -1.84 -2.16 119.26 124.44 1j2r h ALA 172 Ca -0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1j2r h ALA 172 Cb 1.18 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1j2r h ALA 172 CO 0.54 0.34 0.47 1.49 0.00 0.00 0.00 179.25 182.09 1j2r h GLU 173 N 1.06 1.15 -0.40 0.00 4.81 -1.96 0.80 114.58 120.04 1j2r h GLU 173 Ca 0.42 -0.12 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 1j2r h GLU 173 Cb 0.22 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1j2r h GLU 173 CO -0.19 0.83 -0.08 1.96 -0.73 0.00 0.00 179.01 180.80 1j2r h GLN 174 N 1.15 0.75 0.13 1.92 4.20 -1.83 -0.92 115.11 120.51 1j2r h GLN 174 Ca 0.29 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1j2r h GLN 174 Cb 0.00 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1j2r h GLN 174 CO -0.05 0.88 -0.09 1.25 -0.67 0.00 0.00 178.83 180.16 1j2r h HIS 175 N 0.57 -0.23 -0.62 2.96 2.76 -1.15 -3.09 115.15 116.35 1j2r h HIS 175 Ca 0.10 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.22 1j2r h HIS 175 Cb 0.60 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.61 1j2r h HIS 175 CO 0.05 -0.14 0.20 -0.91 -1.30 0.00 0.00 177.93 175.82 1j2r h ASN 176 N -0.22 0.88 -0.75 3.26 2.35 -0.74 -1.06 115.58 119.30 1j2r h ASN 176 Ca -0.01 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.60 1j2r h ASN 176 Cb 0.19 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.30 1j2r h ASN 176 CO 0.00 0.82 0.48 -1.13 -1.65 0.00 0.00 177.43 175.96 1j2r h ASN 177 N 0.92 0.87 -0.26 5.81 -1.24 -1.14 0.20 115.58 120.74 1j2r h ASN 177 Ca 0.21 -0.03 -0.10 0.00 0.71 0.00 0.00 56.30 57.08 1j2r h ASN 177 Cb 0.26 -0.22 -0.00 0.00 0.73 0.00 0.00 38.32 39.09 1j2r h ASN 177 CO -0.01 0.64 -0.23 0.28 -1.29 0.00 0.00 177.43 176.82 1j2r h SER 178 N 1.02 0.65 -0.59 1.15 0.02 -1.37 -0.73 113.55 113.69 1j2r h SER 178 Ca 0.27 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 1j2r h SER 178 Cb -0.10 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.23 1j2r h SER 178 CO -0.06 0.98 0.29 0.40 -1.14 0.00 0.00 176.83 177.30 1j2r h ILE 179 N 0.33 1.21 0.03 3.27 1.08 -0.94 0.01 117.51 122.49 1j2r h ILE 179 Ca 0.04 -0.59 -0.27 0.00 -0.39 0.00 0.00 64.86 63.66 1j2r h ILE 179 Cb 0.79 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 1j2r h ILE 179 CO 0.06 0.24 -1.45 0.78 -0.69 0.00 0.00 178.15 177.10 1j2r h ASN 180 N 0.87 0.09 0.00 1.72 -0.26 -0.56 -3.38 115.58 114.06 1j2r h ASN 180 Ca 0.21 -0.13 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1j2r h ASN 180 Cb 0.11 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1j2r h ASN 180 CO -0.03 1.11 -0.93 1.41 -1.06 0.00 0.00 177.43 177.93 1j2r n HIS 181 N -3.24 0.00 -0.03 1.19 8.25 -0.29 -4.75 115.22 116.35 1j2r n HIS 181 Ca -0.12 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.30 1j2r n HIS 181 Cb 1.01 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.11 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 -1.47 1.20 -0.28 1.59 2.08 -0.46 -4.74 119.36 117.28 1j2r n ILE 182 Ca -0.00 0.25 0.09 0.00 0.56 0.00 0.00 62.75 63.65 1j2r n ILE 182 Cb 0.00 -1.94 0.32 0.00 -0.75 0.00 0.00 39.64 37.26 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 -0.52 0.93 -0.00 1.39 0.05 -1.27 -1.53 116.97 116.01 1j2r h TYR 183 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1j2r h TYR 183 Cb 0.52 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 37.96 1j2r h TYR 183 CO -0.22 0.40 0.00 -1.35 -1.05 0.00 0.00 178.16 175.94 1j2r h PRO 184 N 0.83 0.00 0.00 4.88 0.11 -1.77 0.52 132.00 136.57 1j2r h PRO 184 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 1j2r h PRO 184 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1j2r h PRO 184 CO -0.19 0.00 -0.20 0.00 -0.21 0.00 0.00 178.00 177.40 1j2r h ARG 185 N 0.00 0.00 0.00 1.05 3.08 -1.57 -3.36 114.38 113.58 1j2r h ARG 185 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j2r h ARG 185 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 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 -2.44 0.00 -3.85 2.04 -5.35 -0.69 -5.10 119.36 103.97 1j2r n ILE 186 Ca 0.04 -0.44 -0.08 0.00 -0.27 0.00 0.00 62.75 62.00 1j2r n ILE 186 Cb 0.46 1.09 -0.03 0.00 -1.74 0.00 0.00 39.64 39.42 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 -0.20 -0.96 -0.20 -1.28 0.00 0.09 -4.45 121.76 114.75 1j2r s ALA 187 Ca 0.00 -0.38 -0.14 0.00 0.00 0.00 0.00 51.96 51.44 1j2r s ALA 187 Cb 0.00 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1j2r s ALA 187 CO 0.00 -0.94 0.30 1.03 0.00 0.00 0.00 175.76 176.15 1j2r s ARG 188 N -3.93 4.17 -0.24 0.00 0.52 -0.47 -4.43 118.95 114.58 1j2r s ARG 188 Ca 0.13 0.04 -0.09 0.00 -0.52 0.00 0.00 55.73 55.29 1j2r s ARG 188 Cb -0.04 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.89 1j2r s ARG 188 CO 0.05 0.07 0.11 0.08 0.02 0.00 0.00 175.30 175.63 1j2r s VAL 189 N 0.99 4.82 0.10 3.52 1.01 -1.26 -0.85 120.40 128.72 1j2r s VAL 189 Ca 0.15 -0.00 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1j2r s VAL 189 Cb -0.14 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1j2r s VAL 189 CO 0.06 0.35 0.11 -0.13 0.00 0.00 0.00 175.10 175.49 1j2r s ARG 190 N 1.21 0.84 0.60 2.72 1.81 -0.53 -4.96 118.95 120.64 1j2r s ARG 190 Ca 0.06 -1.16 -0.10 0.00 -1.72 0.00 0.00 55.73 52.80 1j2r s ARG 190 Cb -0.14 0.29 -0.04 0.00 -0.45 0.00 0.00 34.95 34.61 1j2r s ARG 190 CO 0.05 -0.24 1.00 -1.54 -0.68 0.00 0.00 175.30 173.88 1j2r s SER 191 N -2.93 6.22 0.22 0.23 1.04 -1.26 -1.34 113.70 115.88 1j2r s SER 191 Ca 0.11 1.35 -0.08 0.00 0.48 0.00 0.00 55.95 57.81 1j2r s SER 191 Cb 0.06 -2.43 0.27 0.00 0.10 0.00 0.00 66.02 64.02 1j2r s SER 191 CO -0.07 -0.84 1.82 0.58 0.98 0.00 0.00 173.24 175.71 1j2r h VAL 192 N -0.26 1.00 -0.61 5.02 2.07 -1.93 -1.24 116.25 120.29 1j2r h VAL 192 Ca -0.44 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1j2r h VAL 192 Cb 1.19 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1j2r h VAL 192 CO 0.62 0.14 0.20 -0.33 0.02 0.00 0.00 177.57 178.23 1j2r h GLU 193 N 0.79 0.91 -0.61 1.57 4.39 -1.99 0.73 114.58 120.37 1j2r h GLU 193 Ca 0.32 -0.17 -0.06 0.00 0.34 0.00 0.00 59.36 59.80 1j2r h GLU 193 Cb 0.18 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1j2r h GLU 193 CO -0.18 0.78 0.14 0.93 -1.16 0.00 0.00 179.01 179.52 1j2r h GLU 194 N 0.89 0.96 -0.17 2.33 5.08 -1.77 -1.65 114.58 120.24 1j2r h GLU 194 Ca 0.20 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1j2r h GLU 194 Cb 0.24 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1j2r h GLU 194 CO -0.01 0.85 -0.25 0.82 -1.00 0.00 0.00 179.01 179.43 1j2r h ILE 195 N 0.91 1.34 -0.91 3.13 2.04 -0.54 -2.77 117.51 120.72 1j2r h ILE 195 Ca 0.20 -1.46 0.07 0.00 1.00 0.00 0.00 64.86 64.67 1j2r h ILE 195 Cb 0.33 1.88 -0.06 0.00 -0.74 0.00 0.00 36.82 38.23 1j2r h ILE 195 CO 0.00 0.44 0.59 -0.07 0.00 0.00 0.00 178.15 179.11 1j2r h LEU 196 N 0.12 0.90 -1.55 1.44 3.38 -0.72 -1.55 115.31 117.34 1j2r h LEU 196 Ca 0.02 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1j2r h LEU 196 Cb 0.82 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1j2r h LEU 196 CO 0.06 0.58 -0.19 0.78 0.09 0.00 0.00 178.44 179.75 1j2r h ASN 197 N 1.02 0.00 0.94 -0.43 2.35 -1.17 -2.82 115.58 115.47 1j2r h ASN 197 Ca 0.39 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.14 1j2r h ASN 197 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1j2r h ASN 197 CO -0.15 0.19 -0.34 0.00 -1.65 0.00 0.00 177.43 175.48 1j2r n ALA 198 N -2.28 2.81 1.19 -0.83 0.00 -0.60 -5.10 120.51 115.70 1j2r n ALA 198 Ca -0.01 -0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.36 1j2r n ALA 198 Cb 0.33 -1.28 0.26 0.00 0.00 0.00 0.00 19.45 18.76 1j2r n ALA 198 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78