#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agj s VAL 2 N 0.00 3.82 0.80 6.31 -7.23 -1.26 -5.12 120.40 117.72 1agj s VAL 2 Ca 0.00 -0.99 -0.11 0.00 -1.81 0.00 0.00 61.98 59.07 1agj s VAL 2 Cb 0.00 -2.78 0.07 0.00 0.56 0.00 0.00 36.38 34.23 1agj s VAL 2 CO 0.00 0.18 1.09 -0.94 -0.31 0.00 0.00 175.10 175.12 1agj s SER 3 N -2.10 4.40 0.41 4.85 1.04 -1.26 -4.92 113.70 116.12 1agj s SER 3 Ca 0.23 1.49 0.20 0.00 0.48 0.00 0.00 55.95 58.35 1agj s SER 3 Cb -0.11 -2.23 0.85 0.00 0.10 0.00 0.00 66.02 64.63 1agj s SER 3 CO 0.15 -2.05 1.82 0.00 0.98 0.00 0.00 173.24 174.14 1agj h ALA 4 N -1.14 1.09 -0.20 5.32 0.00 -1.99 -2.45 119.26 119.89 1agj h ALA 4 Ca -0.46 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 1agj h ALA 4 Cb 1.26 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1agj h ALA 4 CO 0.56 0.39 0.06 0.93 0.00 0.00 0.00 179.25 181.19 1agj h GLU 5 N 0.00 0.31 -0.67 0.00 3.07 -1.99 -0.34 114.58 114.95 1agj h GLU 5 Ca -0.00 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.74 1agj h GLU 5 Cb 0.75 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.59 1agj h GLU 5 CO 0.04 0.41 0.21 1.49 -1.40 0.00 0.00 179.01 179.76 1agj h GLU 6 N 0.14 1.03 0.10 2.33 4.81 -1.87 -1.08 114.58 120.04 1agj h GLU 6 Ca 0.06 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.08 1agj h GLU 6 Cb 0.24 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1agj h GLU 6 CO -0.00 0.89 -0.05 0.82 -0.73 0.00 0.00 179.01 179.94 1agj h ILE 7 N 1.00 1.04 -0.96 2.32 1.08 -1.24 -1.33 117.51 119.41 1agj h ILE 7 Ca 0.22 -0.51 0.06 0.00 -0.39 0.00 0.00 64.86 64.24 1agj h ILE 7 Cb 0.29 1.36 -0.06 0.00 -3.07 0.00 0.00 36.82 35.34 1agj h ILE 7 CO -0.01 0.12 0.62 0.50 -0.69 0.00 0.00 178.15 178.70 1agj h LYS 8 N -0.36 1.09 0.09 2.37 3.11 -0.90 0.22 116.57 122.19 1agj h LYS 8 Ca -0.01 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 1agj h LYS 8 Cb 0.30 -0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 31.28 1agj h LYS 8 CO 0.02 0.72 -0.07 -0.22 -2.81 0.00 0.00 179.45 177.09 1agj h LYS 9 N 1.13 -0.17 -0.11 1.90 1.63 -1.01 -0.59 116.57 119.35 1agj h LYS 9 Ca 0.41 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.24 1agj h LYS 9 Cb 0.15 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 1agj h LYS 9 CO -0.15 -0.11 -0.03 1.25 -3.45 0.00 0.00 179.45 176.95 1agj h HIS 10 N -0.17 -0.08 -0.54 1.91 2.76 -0.17 -1.38 115.15 117.48 1agj h HIS 10 Ca -0.00 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.23 1agj h HIS 10 Cb 0.16 0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.12 1agj h HIS 10 CO -0.10 -0.06 0.27 0.93 -1.30 0.00 0.00 177.93 177.67 1agj h GLU 11 N -0.01 0.49 -0.78 5.26 5.08 -0.41 0.24 114.58 124.46 1agj h GLU 11 Ca 0.06 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1agj h GLU 11 Cb 0.10 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 1agj h GLU 11 CO -0.12 0.33 0.38 1.49 -1.00 0.00 0.00 179.01 180.09 1agj h GLU 12 N 0.51 1.12 -0.29 2.33 4.81 -0.75 0.18 114.58 122.49 1agj h GLU 12 Ca 0.25 -0.16 -0.18 0.00 -0.13 0.00 0.00 59.36 59.13 1agj h GLU 12 Cb 0.18 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1agj h GLU 12 CO -0.18 0.86 -0.53 -0.22 -0.73 0.00 0.00 179.01 178.21 1agj h LYS 13 N 1.10 0.87 -0.29 1.92 3.64 -0.72 -3.03 116.57 120.06 1agj h LYS 13 Ca 0.27 -0.55 -0.08 0.00 -1.27 0.00 0.00 60.65 59.02 1agj h LYS 13 Cb 0.11 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1agj h LYS 13 CO -0.04 1.18 -0.14 2.35 -2.27 0.00 0.00 179.45 180.53 1agj h TRP 14 N 0.65 0.53 0.00 1.91 2.91 -0.26 -2.70 115.95 119.00 1agj h TRP 14 Ca 0.02 -0.09 -0.02 0.00 1.13 0.00 0.00 58.89 59.93 1agj h TRP 14 Cb 1.14 -0.14 -0.00 0.00 -0.51 0.00 0.00 29.16 29.65 1agj h TRP 14 CO 0.07 0.62 -0.08 -0.97 -1.03 0.00 0.00 178.44 177.06 1agj h ASN 15 N 0.45 0.00 0.36 2.65 -0.00 -0.52 -1.84 115.58 116.67 1agj h ASN 15 Ca 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 56.36 1agj h ASN 15 Cb 0.52 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.84 1agj h ASN 15 CO 0.03 0.08 -0.12 0.11 -0.00 0.00 0.00 177.43 177.53 1agj h LYS 16 N 0.00 0.00 0.00 6.67 1.57 -1.44 0.21 116.57 123.58 1agj h LYS 16 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1agj h LYS 16 Cb 0.20 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1agj h LYS 16 CO 0.01 0.12 -2.15 0.66 -0.57 0.00 0.00 179.45 177.52 1agj n TYR 17 N -3.66 0.00 -0.20 -1.35 4.02 -0.73 -4.68 117.16 110.56 1agj n TYR 17 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1agj n TYR 17 Cb 0.23 -0.78 0.00 0.00 -0.02 0.00 0.00 39.34 38.78 1agj n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1agj n TYR 18 N -2.54 0.00 0.49 -0.72 4.01 -0.96 -4.64 117.16 112.80 1agj n TYR 18 Ca -0.23 -0.06 0.13 0.00 -0.16 0.00 0.00 57.90 57.58 1agj n TYR 18 Cb 0.94 -0.01 0.28 0.00 -0.31 0.00 0.00 39.34 40.25 1agj n TYR 18 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1agj h GLY 19 N 0.00 0.00 -2.42 2.72 0.00 -0.78 -3.46 103.07 99.13 1agj h GLY 19 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1agj h GLY 19 CO 0.00 0.00 -0.74 0.54 0.00 0.00 0.00 176.54 176.34 1agj s VAL 20 N -3.15 2.01 0.36 4.60 0.11 -1.26 -5.07 120.40 118.00 1agj s VAL 20 Ca 0.08 -2.28 -0.28 0.00 -2.93 0.00 0.00 61.98 56.57 1agj s VAL 20 Cb 0.11 -2.14 -0.12 0.00 -1.53 0.00 0.00 36.38 32.70 1agj s VAL 20 CO 0.65 -0.52 1.41 -3.20 -3.33 0.00 0.00 175.10 170.11 1agj n ASN 21 N -0.47 3.40 -0.15 3.54 2.85 -1.26 -4.86 115.26 118.31 1agj n ASN 21 Ca -0.07 1.22 0.14 0.00 -0.11 0.00 0.00 54.58 55.76 1agj n ASN 21 Cb 0.60 -1.57 0.49 0.00 1.24 0.00 0.00 39.78 40.54 1agj n ASN 21 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1agj h ALA 22 N 2.84 2.06 0.00 5.20 0.00 -1.96 0.25 119.26 127.64 1agj h ALA 22 Ca -0.49 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1agj h ALA 22 Cb 1.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1agj h ALA 22 CO 0.64 -0.24 -0.22 0.74 0.00 0.00 0.00 179.25 180.17 1agj h PHE 23 N 0.45 0.00 -0.63 0.00 0.04 -2.00 -2.43 116.94 112.36 1agj h PHE 23 Ca 0.35 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.12 1agj h PHE 23 Cb 0.74 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.89 1agj h PHE 23 CO -0.00 0.22 0.00 0.09 -0.60 0.00 0.00 178.31 178.02 1agj n ASN 24 N -3.60 5.07 -4.75 2.17 5.03 0.83 -4.96 115.26 115.05 1agj n ASN 24 Ca -0.01 -2.59 -0.40 0.00 0.87 0.00 0.00 54.58 52.45 1agj n ASN 24 Cb 0.35 -0.62 -0.05 0.00 -1.02 0.00 0.00 39.78 38.45 1agj n ASN 24 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1agj s LEU 25 N -2.11 4.56 0.35 3.41 2.96 -0.92 -4.83 118.68 122.10 1agj s LEU 25 Ca 0.52 2.14 -0.29 0.00 -0.22 0.00 0.00 54.13 56.28 1agj s LEU 25 Cb 0.36 -3.62 -0.11 0.00 0.50 0.00 0.00 46.19 43.32 1agj s LEU 25 CO 0.22 -0.09 1.54 -2.84 -1.32 0.00 0.00 176.35 173.86 1agj s PRO 26 N -1.06 4.10 0.47 0.98 0.02 -1.26 -4.78 135.00 133.47 1agj s PRO 26 Ca 0.45 2.60 0.25 0.00 0.02 0.00 0.00 61.00 64.32 1agj s PRO 26 Cb -0.30 -2.98 1.30 0.00 0.02 0.00 0.00 34.50 32.54 1agj s PRO 26 CO 0.37 -0.59 1.84 0.87 -0.33 0.00 0.00 177.00 179.16 1agj h LYS 27 N 3.67 0.19 -0.22 5.54 1.57 -1.94 0.13 116.57 125.51 1agj h LYS 27 Ca -0.50 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.25 1agj h LYS 27 Cb 1.23 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1agj h LYS 27 CO 0.70 0.13 0.02 0.93 -0.57 0.00 0.00 179.45 180.66 1agj h GLU 28 N 0.20 0.31 0.06 3.15 3.07 -1.99 -3.19 114.58 116.19 1agj h GLU 28 Ca 0.49 -0.04 -0.34 0.00 -0.50 0.00 0.00 59.36 58.97 1agj h GLU 28 Cb 1.59 -0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 29.40 1agj h GLU 28 CO -0.12 0.32 -1.93 1.28 -1.40 0.00 0.00 179.01 177.17 1agj n LEU 29 N -4.38 1.84 -3.66 1.33 4.77 0.41 -4.35 117.00 112.96 1agj n LEU 29 Ca 0.00 0.26 -0.07 0.00 -0.03 0.00 0.00 56.01 56.17 1agj n LEU 29 Cb 0.17 -0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 40.66 1agj n LEU 29 CO 0.37 0.66 0.12 0.12 -1.33 0.00 0.00 177.39 177.32 1agj s PHE 30 N -2.57 -0.90 0.02 -1.77 5.36 -0.87 -0.97 117.98 116.27 1agj s PHE 30 Ca -0.15 1.72 -0.16 0.00 -0.96 0.00 0.00 56.93 57.38 1agj s PHE 30 Cb 0.07 0.44 0.03 0.00 -0.34 0.00 0.00 43.02 43.22 1agj s PHE 30 CO 0.79 -0.50 0.35 -1.54 -1.46 0.00 0.00 175.22 172.86 1agj s SER 31 N 2.30 -0.21 0.15 6.13 1.04 -0.55 -4.23 113.70 118.32 1agj s SER 31 Ca -0.05 0.01 -0.30 0.00 0.48 0.00 0.00 55.95 56.08 1agj s SER 31 Cb -0.10 0.36 -0.07 0.00 0.10 0.00 0.00 66.02 66.31 1agj s SER 31 CO -0.15 -0.56 1.20 -0.75 0.98 0.00 0.00 173.24 173.96 1agj s LYS 32 N -1.98 4.48 -0.19 4.02 2.20 -1.26 -0.75 119.74 126.25 1agj s LYS 32 Ca -0.09 1.84 -0.29 0.00 -0.36 0.00 0.00 55.97 57.07 1agj s LYS 32 Cb -0.02 -3.27 -0.00 0.00 -1.51 0.00 0.00 37.83 33.02 1agj s LYS 32 CO 0.01 -0.13 1.09 0.08 -0.36 0.00 0.00 175.35 176.03 1agj s VAL 33 N 0.29 4.59 0.84 4.02 1.01 0.23 -4.88 120.40 126.50 1agj s VAL 33 Ca 0.55 1.91 -0.11 0.00 0.00 0.00 0.00 61.98 64.32 1agj s VAL 33 Cb -0.32 -4.23 0.10 0.00 0.00 0.00 0.00 36.38 31.93 1agj s VAL 33 CO 0.34 -0.13 1.09 1.51 0.00 0.00 0.00 175.10 177.91 1agj s ASP 34 N 1.36 3.94 0.26 3.32 -4.77 -1.26 -4.74 116.67 114.78 1agj s ASP 34 Ca 0.48 1.62 -0.02 0.00 -3.30 0.00 0.00 52.55 51.32 1agj s ASP 34 Cb -0.17 -2.31 0.54 0.00 -1.09 0.00 0.00 42.92 39.89 1agj s ASP 34 CO 0.10 -2.36 1.69 -0.08 0.70 0.00 0.00 175.17 175.22 1agj h GLU 35 N -1.36 0.30 -0.30 2.11 4.81 -1.99 -0.64 114.58 117.51 1agj h GLU 35 Ca -0.47 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 58.58 1agj h GLU 35 Cb 1.26 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1agj h GLU 35 CO 0.53 0.20 -0.47 0.87 -0.73 0.00 0.00 179.01 179.42 1agj h LYS 36 N 0.31 0.85 -0.41 1.92 6.56 -2.01 -3.20 116.57 120.59 1agj h LYS 36 Ca 0.46 -0.51 -0.12 0.00 -1.06 0.00 0.00 60.65 59.42 1agj h LYS 36 Cb 0.81 0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 32.51 1agj h LYS 36 CO -0.52 1.15 -0.21 -0.44 -2.06 0.00 0.00 179.45 177.36 1agj h ASP 37 N 0.63 0.83 -0.11 0.86 3.32 -1.79 -2.71 116.42 117.44 1agj h ASP 37 Ca 0.03 -0.30 0.03 0.00 0.02 0.00 0.00 57.03 56.81 1agj h ASP 37 Cb 1.07 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.39 1agj h ASP 37 CO 0.11 1.01 0.23 -0.09 -1.72 0.00 0.00 179.24 178.78 1agj h ARG 38 N 0.71 0.00 -0.00 3.56 2.43 -1.13 0.29 114.38 120.24 1agj h ARG 38 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1agj h ARG 38 Cb 0.73 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1agj h ARG 38 CO 0.06 0.00 -0.35 1.04 -1.51 0.00 0.00 179.97 179.21 1agj n GLN 39 N -3.34 0.51 -3.75 0.20 6.02 -1.02 -3.33 117.38 112.67 1agj n GLN 39 Ca 0.00 -0.29 -0.20 0.00 -0.01 0.00 0.00 57.00 56.49 1agj n GLN 39 Cb 0.32 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.06 1agj n GLN 39 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1agj s LYS 40 N -2.70 3.00 0.33 -1.09 1.02 0.10 -4.80 119.74 115.61 1agj s LYS 40 Ca 0.19 -1.08 -0.24 0.00 0.02 0.00 0.00 55.97 54.86 1agj s LYS 40 Cb 0.19 -2.68 -0.10 0.00 -0.52 0.00 0.00 37.83 34.72 1agj s LYS 40 CO 0.59 0.17 0.92 -0.47 -0.92 0.00 0.00 175.35 175.65 1agj s TYR 41 N -2.19 3.61 -1.80 3.18 6.14 -1.26 -0.75 117.35 124.28 1agj s TYR 41 Ca 0.40 1.71 0.27 0.00 0.64 0.00 0.00 57.07 60.09 1agj s TYR 41 Cb -0.08 -2.88 0.88 0.00 0.42 0.00 0.00 41.96 40.31 1agj s TYR 41 CO 0.28 0.16 1.65 -0.35 0.64 0.00 0.00 175.55 177.93 1agj n PRO 42 N 0.34 0.89 -0.34 4.97 -0.04 -1.26 -4.87 135.00 134.68 1agj n PRO 42 Ca 0.03 -0.48 0.10 0.00 -0.04 0.00 0.00 63.50 63.10 1agj n PRO 42 Cb 0.51 -1.49 0.29 0.00 -0.04 0.00 0.00 33.50 32.77 1agj n PRO 42 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1agj h TYR 43 N 1.18 1.06 0.00 0.54 0.05 -1.65 -0.90 116.97 117.25 1agj h TYR 43 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1agj h TYR 43 Cb 0.47 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 37.88 1agj h TYR 43 CO 0.00 0.36 0.00 0.27 -1.05 0.00 0.00 178.16 177.74 1agj n ASN 44 N -4.65 0.00 0.00 3.88 0.23 0.07 -1.63 115.26 113.17 1agj n ASN 44 Ca 0.20 -0.02 0.12 0.00 -0.53 0.00 0.00 54.58 54.34 1agj n ASN 44 Cb 0.44 -0.22 0.17 0.00 -2.08 0.00 0.00 39.78 38.09 1agj n ASN 44 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1agj n THR 45 N -1.22 0.02 -3.10 5.53 -2.24 -0.34 -4.73 114.28 108.20 1agj n THR 45 Ca 0.07 -0.02 -0.39 0.00 -2.27 0.00 0.00 64.05 61.44 1agj n THR 45 Cb 0.09 0.37 -0.05 0.00 -2.10 0.00 0.00 70.33 68.64 1agj n THR 45 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1agj s ILE 46 N -3.02 4.75 0.18 2.28 -1.09 -0.65 -0.66 121.20 122.99 1agj s ILE 46 Ca 0.10 1.45 -0.02 0.00 -2.23 0.00 0.00 60.65 59.95 1agj s ILE 46 Cb 0.17 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 1agj s ILE 46 CO 0.74 0.43 0.13 -0.83 -1.23 0.00 0.00 174.94 174.18 1agj s GLY 47 N -0.38 1.18 -0.25 6.18 0.00 -0.40 -1.73 107.32 111.92 1agj s GLY 47 Ca 0.34 -1.53 -0.15 0.00 0.00 0.00 0.00 44.72 43.38 1agj s GLY 47 CO 0.21 -1.31 0.38 0.21 0.00 0.00 0.00 173.10 172.59 1agj s ASN 48 N -3.10 6.29 -0.36 1.64 3.04 -0.27 -1.16 114.94 121.02 1agj s ASN 48 Ca 0.32 0.34 -0.19 0.00 0.04 0.00 0.00 52.86 53.37 1agj s ASN 48 Cb 0.06 -2.21 0.00 0.00 -1.54 0.00 0.00 41.25 37.56 1agj s ASN 48 CO 0.08 -0.16 0.57 -0.69 -3.04 0.00 0.00 177.10 173.85 1agj s VAL 49 N 1.89 4.96 -0.23 -5.21 1.01 0.24 -0.84 120.40 122.22 1agj s VAL 49 Ca 0.16 0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.47 1agj s VAL 49 Cb -0.15 -4.03 -0.00 0.00 0.00 0.00 0.00 36.38 32.19 1agj s VAL 49 CO 0.09 -0.30 -0.03 0.12 0.00 0.00 0.00 175.10 174.98 1agj s PHE 50 N 2.54 2.99 -0.41 5.22 5.36 0.75 -0.51 117.98 133.92 1agj s PHE 50 Ca 0.21 -0.99 -0.05 0.00 -0.96 0.00 0.00 56.93 55.13 1agj s PHE 50 Cb -0.15 -2.12 0.10 0.00 -0.34 0.00 0.00 43.02 40.51 1agj s PHE 50 CO 0.14 -0.57 0.22 0.08 -1.46 0.00 0.00 175.22 173.64 1agj s VAL 51 N 1.47 3.65 -0.26 3.12 1.01 0.15 -0.57 120.40 128.96 1agj s VAL 51 Ca 0.05 -1.78 -0.43 0.00 0.00 0.00 0.00 61.98 59.82 1agj s VAL 51 Cb -0.15 -3.38 -0.19 0.00 0.00 0.00 0.00 36.38 32.66 1agj s VAL 51 CO -0.03 -0.60 1.42 2.29 0.00 0.00 0.00 175.10 178.18 1agj n LYS 52 N 4.73 0.23 -1.27 2.72 2.85 -0.99 -0.50 118.16 125.93 1agj n LYS 52 Ca -0.06 0.08 -0.09 0.00 -1.05 0.00 0.00 58.31 57.19 1agj n LYS 52 Cb 0.42 -1.62 -0.04 0.00 -0.65 0.00 0.00 35.03 33.14 1agj n LYS 52 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1agj n GLY 53 N 3.09 0.90 1.27 2.58 0.00 -1.26 -4.74 105.19 107.03 1agj n GLY 53 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1agj n GLY 53 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1agj n GLN 54 N -0.74 0.00 -3.62 1.61 1.13 0.35 -5.14 117.38 110.96 1agj n GLN 54 Ca -0.09 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.86 1agj n GLN 54 Cb 0.55 -0.24 -0.03 0.00 0.11 0.00 0.00 30.24 30.63 1agj n GLN 54 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1agj s THR 55 N -1.64 0.02 -0.21 5.09 -1.32 -0.63 -5.02 115.64 111.94 1agj s THR 55 Ca 0.00 -0.48 -0.02 0.00 -1.21 0.00 0.00 61.69 59.98 1agj s THR 55 Cb 0.00 -1.34 0.06 0.00 -1.51 0.00 0.00 72.50 69.72 1agj s THR 55 CO 0.00 -0.10 0.03 -0.55 -2.21 0.00 0.00 174.62 171.80 1agj s SER 56 N -2.82 3.06 0.00 8.08 0.15 -1.26 -0.68 113.70 120.24 1agj s SER 56 Ca 0.05 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1agj s SER 56 Cb -0.01 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 1agj s SER 56 CO -0.07 -0.31 0.00 0.00 1.20 0.00 0.00 173.24 174.06 1agj n ALA 57 N 5.01 0.00 -2.55 5.45 0.00 0.33 -4.60 120.51 124.15 1agj n ALA 57 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.11 1agj n ALA 57 Cb 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 1agj n ALA 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1agj s THR 58 N 0.29 2.98 0.08 0.00 2.01 -0.06 -0.59 115.64 120.34 1agj s THR 58 Ca 0.00 -1.99 -0.15 0.00 0.31 0.00 0.00 61.69 59.86 1agj s THR 58 Cb 0.00 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 70.00 1agj s THR 58 CO 0.00 -0.28 0.34 -0.83 -0.69 0.00 0.00 174.62 173.16 1agj s GLY 59 N -3.27 -0.17 -0.08 4.40 0.00 -0.31 -4.16 107.32 103.74 1agj s GLY 59 Ca 0.28 -0.05 0.04 0.00 0.00 0.00 0.00 44.72 44.99 1agj s GLY 59 CO 0.16 -0.28 -0.22 0.14 0.00 0.00 0.00 173.10 172.89 1agj s VAL 60 N -3.13 1.90 -0.27 1.40 1.01 -0.16 -1.27 120.40 119.87 1agj s VAL 60 Ca -0.01 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 1agj s VAL 60 Cb 0.01 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.76 1agj s VAL 60 CO -0.07 0.53 1.13 -0.22 0.00 0.00 0.00 175.10 176.47 1agj s LEU 61 N 0.22 3.99 0.00 3.92 2.96 0.16 0.13 118.68 130.07 1agj s LEU 61 Ca -0.13 1.24 0.00 0.00 -0.22 0.00 0.00 54.13 55.02 1agj s LEU 61 Cb -0.16 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.99 1agj s LEU 61 CO 0.06 -0.85 0.45 2.30 -1.32 0.00 0.00 176.35 176.99 1agj n ILE 62 N 5.74 0.00 -4.06 6.68 -5.35 0.17 -0.87 119.36 121.67 1agj n ILE 62 Ca 0.13 -0.50 -0.12 0.00 -0.27 0.00 0.00 62.75 61.99 1agj n ILE 62 Cb 0.46 1.00 -0.05 0.00 -1.74 0.00 0.00 39.64 39.32 1agj n ILE 62 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1agj s GLY 63 N -0.10 1.09 0.30 3.28 0.00 -0.89 -4.69 107.32 106.30 1agj s GLY 63 Ca 0.00 -1.27 0.02 0.00 0.00 0.00 0.00 44.72 43.46 1agj s GLY 63 CO 0.00 -0.88 1.88 1.70 0.00 0.00 0.00 173.10 175.80 1agj h LYS 64 N 2.21 0.97 0.00 2.90 3.64 -1.89 -3.05 116.57 121.35 1agj h LYS 64 Ca -0.28 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 1agj h LYS 64 Cb 1.25 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 32.80 1agj h LYS 64 CO 0.39 0.64 -0.41 0.09 -2.27 0.00 0.00 179.45 177.89 1agj n ASN 65 N -4.54 1.01 -4.17 4.20 3.02 -1.04 -0.87 115.26 112.88 1agj n ASN 65 Ca 0.16 -2.50 -0.30 0.00 -0.03 0.00 0.00 54.58 51.90 1agj n ASN 65 Cb 0.28 -0.31 -0.17 0.00 -0.61 0.00 0.00 39.78 38.96 1agj n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1agj s THR 66 N -1.18 1.82 -0.10 3.41 2.01 -1.15 0.15 115.64 120.59 1agj s THR 66 Ca 0.18 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1agj s THR 66 Cb 0.17 -1.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.07 1agj s THR 66 CO -0.02 0.51 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.61 1agj s VAL 67 N 0.43 3.22 -0.21 3.82 1.01 0.21 -0.65 120.40 128.23 1agj s VAL 67 Ca -0.18 -0.63 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 1agj s VAL 67 Cb -0.17 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1agj s VAL 67 CO 0.08 0.55 0.09 -0.22 0.00 0.00 0.00 175.10 175.60 1agj s LEU 68 N -0.14 3.85 0.00 3.92 2.96 0.12 -0.47 118.68 128.92 1agj s LEU 68 Ca -0.00 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.96 1agj s LEU 68 Cb -0.13 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.55 1agj s LEU 68 CO 0.03 0.11 0.00 1.07 -1.32 0.00 0.00 176.35 176.24 1agj n THR 69 N 3.97 0.00 -3.06 3.68 5.66 -0.76 -0.99 114.28 122.78 1agj n THR 69 Ca -0.16 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.52 1agj n THR 69 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 1agj n THR 69 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1agj s ASN 70 N -0.63 6.73 0.21 1.09 0.02 -1.26 -0.52 114.94 120.58 1agj s ASN 70 Ca 0.00 1.27 -0.06 0.00 -1.02 0.00 0.00 52.86 53.05 1agj s ASN 70 Cb 0.00 -2.37 0.16 0.00 0.02 0.00 0.00 41.25 39.06 1agj s ASN 70 CO 0.00 -0.25 1.67 -0.09 0.02 0.00 0.00 177.10 178.44 1agj h ARG 71 N 2.03 0.93 0.00 -0.60 2.43 -1.68 -1.85 114.38 115.64 1agj h ARG 71 Ca -0.48 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.39 1agj h ARG 71 Cb 1.18 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1agj h ARG 71 CO 0.65 0.96 0.00 1.12 -1.51 0.00 0.00 179.97 181.19 1agj h HIS 72 N 0.84 0.00 0.03 2.20 2.07 -1.90 0.84 115.15 119.23 1agj h HIS 72 Ca 0.14 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.53 1agj h HIS 72 Cb 0.59 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.56 1agj h HIS 72 CO 0.04 0.00 -0.68 0.82 -3.07 0.00 0.00 177.93 175.04 1agj h ILE 73 N 0.00 1.38 0.00 6.12 1.08 -1.83 -3.34 117.51 120.92 1agj h ILE 73 Ca 0.00 -2.32 -0.00 0.00 -0.39 0.00 0.00 64.86 62.15 1agj h ILE 73 Cb 0.25 2.91 -0.00 0.00 -3.07 0.00 0.00 36.82 36.90 1agj h ILE 73 CO 0.00 0.54 -0.01 0.00 -0.69 0.00 0.00 178.15 177.98 1agj h ALA 74 N -0.16 1.92 0.00 1.87 0.00 -0.72 -2.01 119.26 120.16 1agj h ALA 74 Ca -0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1agj h ALA 74 Cb 1.26 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1agj h ALA 74 CO -0.05 0.02 -0.17 0.87 0.00 0.00 0.00 179.25 179.92 1agj h LYS 75 N 0.00 0.00 -0.04 0.00 1.57 -0.97 -2.14 116.57 114.99 1agj h LYS 75 Ca -0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1agj h LYS 75 Cb 0.03 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1agj h LYS 75 CO 0.00 0.17 0.05 0.74 -0.57 0.00 0.00 179.45 179.84 1agj h PHE 76 N 0.00 0.00 0.00 -1.35 0.04 -1.50 -1.00 116.94 113.12 1agj h PHE 76 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1agj h PHE 76 Cb 0.33 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.48 1agj h PHE 76 CO 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.71 1agj n ALA 77 N -2.30 2.20 -3.83 2.45 0.00 -0.80 -4.93 120.51 113.30 1agj n ALA 77 Ca -0.02 -0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.13 1agj n ALA 77 Cb 0.13 -1.46 0.03 0.00 0.00 0.00 0.00 19.45 18.16 1agj n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1agj n ASN 78 N -2.20 -3.78 0.00 0.00 5.03 -0.38 -1.15 115.26 112.78 1agj n ASN 78 Ca 0.05 -0.78 0.00 0.00 0.87 0.00 0.00 54.58 54.73 1agj n ASN 78 Cb 0.40 -4.01 0.00 0.00 -1.02 0.00 0.00 39.78 35.14 1agj n ASN 78 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1agj n GLY 79 N -1.68 0.54 3.38 7.41 0.00 -1.26 -4.96 105.19 108.62 1agj n GLY 79 Ca -0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.51 1agj n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1agj s ASP 80 N -2.51 6.25 0.59 1.61 2.15 -0.30 -4.88 116.67 119.57 1agj s ASP 80 Ca 0.00 -1.55 0.30 0.00 0.43 0.00 0.00 52.55 51.73 1agj s ASP 80 Cb 0.00 -2.30 1.84 0.00 -0.30 0.00 0.00 42.92 42.16 1agj s ASP 80 CO 0.00 -1.08 2.26 1.55 -0.17 0.00 0.00 175.17 177.73 1agj h PRO 81 N 9.08 0.00 0.00 4.34 0.13 -1.87 -1.54 132.00 142.13 1agj h PRO 81 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1agj h PRO 81 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1agj h PRO 81 CO 1.08 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.52 1agj h SER 82 N 0.00 0.00 0.42 1.44 4.64 -1.91 -2.33 113.55 115.81 1agj h SER 82 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1agj h SER 82 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1agj h SER 82 CO 0.00 0.00 -0.28 0.29 -0.87 0.00 0.00 176.83 175.97 1agj n LYS 83 N -2.60 0.45 -4.75 4.77 5.02 -0.58 -4.87 118.16 115.61 1agj n LYS 83 Ca 0.01 -0.23 -0.32 0.00 -2.02 0.00 0.00 58.31 55.75 1agj n LYS 83 Cb 0.22 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.61 1agj n LYS 83 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1agj s VAL 84 N -2.70 3.15 0.03 -0.18 1.01 -0.87 -2.35 120.40 118.48 1agj s VAL 84 Ca 0.20 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1agj s VAL 84 Cb 0.19 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.27 1agj s VAL 84 CO 0.57 0.50 -0.07 -0.55 0.00 0.00 0.00 175.10 175.55 1agj s SER 85 N -1.02 0.79 -0.17 3.32 0.15 0.26 -3.81 113.70 113.23 1agj s SER 85 Ca 0.13 -0.44 0.01 0.00 0.70 0.00 0.00 55.95 56.35 1agj s SER 85 Cb -0.11 0.01 0.01 0.00 -1.71 0.00 0.00 66.02 64.22 1agj s SER 85 CO 0.03 -0.14 -0.17 0.12 1.20 0.00 0.00 173.24 174.28 1agj s PHE 86 N -1.07 2.78 -0.51 3.44 5.36 -0.30 -0.17 117.98 127.50 1agj s PHE 86 Ca -0.07 -1.34 0.01 0.00 -0.96 0.00 0.00 56.93 54.57 1agj s PHE 86 Cb -0.08 -1.91 0.13 0.00 -0.34 0.00 0.00 43.02 40.82 1agj s PHE 86 CO 0.00 -0.65 0.28 1.03 -1.46 0.00 0.00 175.22 174.43 1agj s ARG 87 N 1.09 2.10 0.21 10.12 0.52 -0.02 -0.11 118.95 132.85 1agj s ARG 87 Ca -0.00 -2.38 -0.30 0.00 -0.52 0.00 0.00 55.73 52.52 1agj s ARG 87 Cb -0.14 -3.48 -0.09 0.00 0.52 0.00 0.00 34.95 31.76 1agj s ARG 87 CO -0.06 -1.10 1.31 -1.25 0.02 0.00 0.00 175.30 174.22 1agj s PRO 88 N 0.14 4.39 -1.10 3.54 0.04 -1.26 -1.12 135.00 139.63 1agj s PRO 88 Ca 0.15 2.06 -0.00 0.00 0.04 0.00 0.00 61.00 63.25 1agj s PRO 88 Cb -0.23 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1agj s PRO 88 CO -0.03 -0.25 0.02 0.43 0.04 0.00 0.00 177.00 177.22 1agj n SER 89 N 2.54 -4.01 -4.76 6.66 7.64 -0.71 -4.51 113.62 116.47 1agj n SER 89 Ca 0.06 0.16 -0.37 0.00 1.01 0.00 0.00 58.87 59.73 1agj n SER 89 Cb 0.43 -3.39 0.02 0.00 -1.01 0.00 0.00 64.21 60.26 1agj n SER 89 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1agj s ILE 90 N -2.65 2.60 -0.11 0.44 2.07 -1.20 -4.57 121.20 117.78 1agj s ILE 90 Ca 0.02 0.42 -0.05 0.00 -1.41 0.00 0.00 60.65 59.63 1agj s ILE 90 Cb -0.01 -3.19 0.05 0.00 0.13 0.00 0.00 42.46 39.44 1agj s ILE 90 CO 0.02 -0.04 0.24 0.21 -1.91 0.00 0.00 174.94 173.46 1agj s ASN 91 N -1.34 -0.02 -0.20 4.50 2.47 -0.45 -4.56 114.94 115.33 1agj s ASN 91 Ca 0.72 0.52 0.00 0.00 0.42 0.00 0.00 52.86 54.52 1agj s ASN 91 Cb -0.33 0.47 0.02 0.00 -1.45 0.00 0.00 41.25 39.96 1agj s ASN 91 CO 0.38 -0.19 -0.15 -0.89 -3.72 0.00 0.00 177.10 172.53 1agj s THR 92 N 1.65 2.36 1.04 -5.21 2.01 -0.31 -0.20 115.64 116.98 1agj s THR 92 Ca -0.06 -0.97 -0.18 0.00 0.31 0.00 0.00 61.69 60.80 1agj s THR 92 Cb -0.11 -2.08 0.25 0.00 0.01 0.00 0.00 72.50 70.57 1agj s THR 92 CO -0.08 0.41 1.07 -0.90 -0.69 0.00 0.00 174.62 174.43 1agj n ASP 93 N 4.63 -1.28 0.00 3.53 5.68 -0.23 -4.64 116.55 124.24 1agj n ASP 93 Ca -0.19 -1.22 0.08 0.00 -0.50 0.00 0.00 54.79 52.95 1agj n ASP 93 Cb 0.49 -0.92 0.34 0.00 -1.14 0.00 0.00 41.12 39.89 1agj n ASP 93 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1agj n ASP 94 N -4.39 0.00 -1.15 -1.12 8.00 -1.26 -2.40 116.55 114.24 1agj n ASP 94 Ca 0.14 0.50 0.11 0.00 0.71 0.00 0.00 54.79 56.24 1agj n ASP 94 Cb 0.53 -0.50 0.25 0.00 -0.02 0.00 0.00 41.12 41.39 1agj n ASP 94 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1agj n ASN 95 N -1.50 3.58 0.00 -2.24 5.03 -1.26 -4.96 115.26 113.91 1agj n ASN 95 Ca 0.04 -1.98 0.00 0.00 0.87 0.00 0.00 54.58 53.51 1agj n ASN 95 Cb 0.19 -0.35 0.00 0.00 -1.02 0.00 0.00 39.78 38.59 1agj n ASN 95 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1agj n GLY 96 N 1.40 0.74 3.63 7.41 0.00 -1.01 -5.03 105.19 112.33 1agj n GLY 96 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1agj n GLY 96 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1agj s ASN 97 N -2.33 6.81 -0.18 1.61 3.04 -1.26 -4.84 114.94 117.79 1agj s ASN 97 Ca 0.00 0.88 -0.06 0.00 0.04 0.00 0.00 52.86 53.72 1agj s ASN 97 Cb 0.00 -2.47 -0.03 0.00 -1.54 0.00 0.00 41.25 37.21 1agj s ASN 97 CO 0.00 -0.72 0.01 -0.89 -3.04 0.00 0.00 177.10 172.46 1agj s THR 98 N 3.25 4.25 -0.05 -5.21 2.01 -1.26 -1.07 115.64 117.57 1agj s THR 98 Ca 0.39 -0.22 0.06 0.00 0.31 0.00 0.00 61.69 62.22 1agj s THR 98 Cb -0.13 -2.90 -0.01 0.00 0.01 0.00 0.00 72.50 69.46 1agj s THR 98 CO 0.13 0.46 -0.23 -1.61 -0.69 0.00 0.00 174.62 172.67 1agj s GLU 99 N 0.57 2.30 -0.51 4.92 2.02 0.72 -4.98 118.70 123.75 1agj s GLU 99 Ca 0.00 -0.84 0.04 0.00 0.02 0.00 0.00 54.97 54.18 1agj s GLU 99 Cb -0.14 -2.00 0.16 0.00 0.10 0.00 0.00 34.13 32.25 1agj s GLU 99 CO 0.02 0.38 0.35 0.95 0.02 0.00 0.00 175.26 176.98 1agj s THR 100 N -0.20 1.56 0.47 3.63 -4.23 -1.26 -1.34 115.64 114.27 1agj s THR 100 Ca -0.01 -3.11 0.26 0.00 -1.18 0.00 0.00 61.69 57.64 1agj s THR 100 Cb -0.13 -2.06 0.46 0.00 1.34 0.00 0.00 72.50 72.11 1agj s THR 100 CO 0.03 -1.03 1.80 1.55 -0.54 0.00 0.00 174.62 176.43 1agj h PRO 101 N 6.01 0.21 -0.31 3.99 0.13 -1.80 -0.66 132.00 139.56 1agj h PRO 101 Ca 0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1agj h PRO 101 Cb 0.87 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1agj h PRO 101 CO 0.52 0.14 0.00 0.66 -0.23 0.00 0.00 178.00 179.09 1agj n TYR 102 N -4.43 0.42 -1.82 1.56 4.01 -1.26 -5.09 117.16 110.55 1agj n TYR 102 Ca 0.24 -0.51 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 1agj n TYR 102 Cb 1.00 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 1agj n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1agj n GLY 103 N 0.38 -2.31 3.56 2.72 0.00 -0.26 -4.90 105.19 104.39 1agj n GLY 103 Ca 0.11 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.14 1agj n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1agj s GLU 104 N -0.36 2.70 -0.07 1.61 2.02 -1.26 -4.31 118.70 119.03 1agj s GLU 104 Ca 0.00 -0.58 0.01 0.00 0.02 0.00 0.00 54.97 54.42 1agj s GLU 104 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 34.13 31.66 1agj s GLU 104 CO 0.00 0.65 -0.08 0.71 0.02 0.00 0.00 175.26 176.56 1agj s TYR 105 N -0.78 2.89 0.41 1.61 1.51 0.84 -4.96 117.35 118.86 1agj s TYR 105 Ca 0.12 -0.04 -0.11 0.00 -1.01 0.00 0.00 57.07 56.03 1agj s TYR 105 Cb -0.11 -1.71 -0.07 0.00 -0.11 0.00 0.00 41.96 39.97 1agj s TYR 105 CO 0.01 0.28 0.79 -1.21 -1.11 0.00 0.00 175.55 174.31 1agj s GLU 106 N -0.73 3.81 -0.20 -0.62 2.02 -1.26 -1.15 118.70 120.58 1agj s GLU 106 Ca 0.11 0.53 -0.09 0.00 0.02 0.00 0.00 54.97 55.54 1agj s GLU 106 Cb -0.11 -2.37 -0.05 0.00 0.10 0.00 0.00 34.13 31.70 1agj s GLU 106 CO 0.01 -0.04 0.11 0.08 0.02 0.00 0.00 175.26 175.44 1agj s VAL 107 N -2.37 5.18 -0.11 2.63 1.01 -1.25 -0.58 120.40 124.90 1agj s VAL 107 Ca 0.52 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.62 1agj s VAL 107 Cb -0.10 -3.36 -0.24 0.00 0.00 0.00 0.00 36.38 32.67 1agj s VAL 107 CO 0.30 0.44 0.38 1.17 0.00 0.00 0.00 175.10 177.39 1agj n LYS 108 N 3.61 0.71 -3.69 2.72 4.81 0.13 -4.54 118.16 121.92 1agj n LYS 108 Ca -0.16 0.25 -0.14 0.00 -0.87 0.00 0.00 58.31 57.39 1agj n LYS 108 Cb 0.52 -1.71 -0.09 0.00 0.02 0.00 0.00 35.03 33.78 1agj n LYS 108 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1agj s GLU 109 N -2.56 0.66 -0.20 1.64 2.12 -0.95 -4.91 118.70 114.51 1agj s GLU 109 Ca -0.18 0.49 -0.03 0.00 0.36 0.00 0.00 54.97 55.62 1agj s GLU 109 Cb 0.07 0.32 -0.01 0.00 0.26 0.00 0.00 34.13 34.77 1agj s GLU 109 CO 0.77 -0.12 -0.07 0.42 -0.54 0.00 0.00 175.26 175.72 1agj s ILE 110 N -0.20 3.18 -0.69 -3.70 1.01 -1.26 -0.16 121.20 119.38 1agj s ILE 110 Ca -0.04 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 59.93 1agj s ILE 110 Cb -0.03 -2.42 0.18 0.00 0.01 0.00 0.00 42.46 40.19 1agj s ILE 110 CO 0.03 0.45 0.61 -0.76 0.00 0.00 0.00 174.94 175.27 1agj s LEU 111 N 1.28 6.27 0.25 2.97 1.02 0.33 -4.95 118.68 125.84 1agj s LEU 111 Ca 0.03 -2.44 -0.06 0.00 0.02 0.00 0.00 54.13 51.68 1agj s LEU 111 Cb -0.14 -2.13 0.26 0.00 0.02 0.00 0.00 46.19 44.20 1agj s LEU 111 CO -0.03 -0.61 1.93 -0.61 0.02 0.00 0.00 176.35 177.04 1agj h GLN 112 N 7.96 1.33 -0.96 1.70 4.15 -1.93 -1.16 115.11 126.20 1agj h GLN 112 Ca -0.03 -0.08 -0.36 0.00 0.77 0.00 0.00 58.65 58.94 1agj h GLN 112 Cb 1.04 -0.30 -0.27 0.00 0.21 0.00 0.00 27.48 28.17 1agj h GLN 112 CO 0.82 0.88 -0.80 -0.85 -1.93 0.00 0.00 178.83 176.94 1agj n GLU 113 N -4.38 0.94 0.05 1.69 0.28 -1.26 -4.41 120.64 113.55 1agj n GLU 113 Ca 0.12 -2.59 0.09 0.00 -0.16 0.00 0.00 57.16 54.63 1agj n GLU 113 Cb 0.01 -1.35 0.40 0.00 1.43 0.00 0.00 31.44 31.93 1agj n GLU 113 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1agj n PRO 114 N 0.59 0.08 -0.04 3.44 -0.04 -1.26 -2.26 135.00 135.51 1agj n PRO 114 Ca 0.15 0.30 0.10 0.00 -0.04 0.00 0.00 63.50 64.00 1agj n PRO 114 Cb 0.66 -1.65 0.10 0.00 -0.04 0.00 0.00 33.50 32.58 1agj n PRO 114 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1agj n PHE 115 N -1.79 0.09 0.00 0.54 3.01 -1.26 -5.00 117.46 113.04 1agj n PHE 115 Ca 0.03 -0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1agj n PHE 115 Cb 0.21 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 1agj n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1agj n GLY 116 N 1.12 3.05 0.28 1.37 0.00 -0.96 -4.58 105.19 105.48 1agj n GLY 116 Ca 0.12 -1.74 0.19 0.00 0.00 0.00 0.00 46.02 44.59 1agj n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1agj h ALA 117 N 0.00 1.00 -0.19 4.61 0.00 -1.97 -2.00 119.26 120.71 1agj h ALA 117 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1agj h ALA 117 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1agj h ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1agj n GLY 118 N -0.60 0.60 3.26 0.00 0.00 -1.26 -4.75 105.19 102.44 1agj n GLY 118 Ca -0.01 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 1agj n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1agj s VAL 119 N -1.76 3.07 -1.29 1.61 1.01 -0.75 -5.01 120.40 117.27 1agj s VAL 119 Ca 0.34 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.60 1agj s VAL 119 Cb 0.19 -2.39 -0.11 0.00 0.00 0.00 0.00 36.38 34.07 1agj s VAL 119 CO 0.28 0.42 2.92 -0.67 0.00 0.00 0.00 175.10 178.06 1agj n ASP 120 N 4.75 7.68 -3.99 3.32 2.03 -1.26 -4.71 116.55 124.37 1agj n ASP 120 Ca -0.19 -2.51 -0.14 0.00 0.52 0.00 0.00 54.79 52.47 1agj n ASP 120 Cb 0.50 -1.46 -0.13 0.00 -0.72 0.00 0.00 41.12 39.31 1agj n ASP 120 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1agj s LEU 121 N 0.13 2.13 0.04 -2.67 1.43 -1.26 -3.08 118.68 115.40 1agj s LEU 121 Ca 0.65 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 1agj s LEU 121 Cb 0.19 -0.17 -0.03 0.00 0.03 0.00 0.00 46.19 46.22 1agj s LEU 121 CO -0.05 -0.08 0.01 0.00 0.23 0.00 0.00 176.35 176.46 1agj s ALA 122 N -0.73 0.22 -0.12 4.21 0.00 0.32 -4.02 121.76 121.63 1agj s ALA 122 Ca -0.05 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 51.07 1agj s ALA 122 Cb -0.06 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 1agj s ALA 122 CO -0.00 -0.30 -0.10 -0.51 0.00 0.00 0.00 175.76 174.85 1agj s LEU 123 N -2.30 2.95 -0.19 0.00 1.43 -0.44 -1.83 118.68 118.30 1agj s LEU 123 Ca -0.03 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1agj s LEU 123 Cb 0.00 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.55 1agj s LEU 123 CO -0.06 0.22 -0.10 -0.63 0.23 0.00 0.00 176.35 176.02 1agj s ILE 124 N 0.02 3.04 -0.25 -0.59 -1.09 0.38 -0.52 121.20 122.19 1agj s ILE 124 Ca -0.02 -0.62 -0.11 0.00 -2.23 0.00 0.00 60.65 57.67 1agj s ILE 124 Cb -0.14 -2.34 -0.05 0.00 -1.58 0.00 0.00 42.46 38.35 1agj s ILE 124 CO 0.04 0.47 0.17 -0.13 -1.23 0.00 0.00 174.94 174.26 1agj s ARG 125 N 1.12 4.03 0.32 2.79 0.52 0.78 -0.62 118.95 127.89 1agj s ARG 125 Ca 0.01 -0.29 -0.02 0.00 -0.52 0.00 0.00 55.73 54.91 1agj s ARG 125 Cb -0.14 -3.57 -0.04 0.00 0.52 0.00 0.00 34.95 31.71 1agj s ARG 125 CO -0.03 -0.01 0.55 -0.51 0.02 0.00 0.00 175.30 175.32 1agj s LEU 126 N 1.26 4.03 0.34 2.53 1.43 0.12 0.21 118.68 128.60 1agj s LEU 126 Ca 0.07 0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 53.66 1agj s LEU 126 Cb -0.14 -3.41 -0.06 0.00 0.03 0.00 0.00 46.19 42.61 1agj s LEU 126 CO 0.06 -0.25 0.66 -0.54 0.23 0.00 0.00 176.35 176.51 1agj s LYS 127 N -3.96 3.72 1.05 1.70 1.02 0.25 -4.58 119.74 118.94 1agj s LYS 127 Ca 0.42 0.25 -0.18 0.00 0.02 0.00 0.00 55.97 56.48 1agj s LYS 127 Cb -0.10 -2.53 0.24 0.00 -0.52 0.00 0.00 37.83 34.93 1agj s LYS 127 CO 0.34 0.11 1.31 -1.25 -0.92 0.00 0.00 175.35 174.93 1agj s PRO 128 N -3.62 -0.05 1.08 -1.68 0.04 -1.26 -4.53 135.00 124.98 1agj s PRO 128 Ca 0.48 -0.47 -0.18 0.00 0.04 0.00 0.00 61.00 60.86 1agj s PRO 128 Cb -0.11 -1.77 0.26 0.00 0.04 0.00 0.00 34.50 32.92 1agj s PRO 128 CO 0.30 -2.87 1.28 -0.40 0.04 0.00 0.00 177.00 175.35 1agj n ASP 129 N -4.07 -0.61 0.14 6.66 5.68 0.40 -4.78 116.55 119.97 1agj n ASP 129 Ca 0.17 -1.39 0.18 0.00 -0.50 0.00 0.00 54.79 53.25 1agj n ASP 129 Cb 0.59 -1.03 0.65 0.00 -1.14 0.00 0.00 41.12 40.19 1agj n ASP 129 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1agj h GLN 130 N 0.00 0.00 -0.53 0.11 4.15 -1.96 0.17 115.11 117.05 1agj h GLN 130 Ca -0.43 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.99 1agj h GLN 130 Cb 1.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1agj h GLN 130 CO 0.30 0.00 0.00 0.09 -1.93 0.00 0.00 178.83 177.29 1agj n ASN 131 N -3.29 3.53 0.00 -0.69 4.13 -1.26 -4.94 115.26 112.74 1agj n ASN 131 Ca 0.06 -1.97 0.00 0.00 1.68 0.00 0.00 54.58 54.35 1agj n ASN 131 Cb 0.72 -0.35 0.00 0.00 -1.54 0.00 0.00 39.78 38.61 1agj n ASN 131 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1agj n GLY 132 N 1.32 0.52 3.62 7.41 0.00 0.59 -5.02 105.19 113.62 1agj n GLY 132 Ca 0.20 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 1agj n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1agj s VAL 133 N -2.00 5.17 0.55 1.61 1.01 -1.26 -4.77 120.40 120.72 1agj s VAL 133 Ca 0.00 0.62 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 1agj s VAL 133 Cb 0.00 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1agj s VAL 133 CO 0.00 0.17 1.04 -0.44 0.00 0.00 0.00 175.10 175.87 1agj s SER 134 N 1.52 6.03 0.34 3.32 0.01 -1.26 -0.45 113.70 123.21 1agj s SER 134 Ca 0.16 1.83 0.02 0.00 1.31 0.00 0.00 55.95 59.27 1agj s SER 134 Cb -0.16 -2.54 0.62 0.00 0.21 0.00 0.00 66.02 64.15 1agj s SER 134 CO 0.09 -0.99 1.99 0.25 0.41 0.00 0.00 173.24 174.99 1agj h LEU 135 N 0.82 0.71 0.00 2.44 5.85 -1.86 -0.94 115.31 122.34 1agj h LEU 135 Ca -0.48 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.21 1agj h LEU 135 Cb 1.22 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1agj h LEU 135 CO 0.58 0.55 0.00 0.61 -0.34 0.00 0.00 178.44 179.84 1agj n GLY 136 N -1.36 -0.77 0.09 3.75 0.00 -0.05 -0.63 105.19 106.22 1agj n GLY 136 Ca 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.98 1agj n GLY 136 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1agj n ASP 137 N -1.37 0.76 0.03 1.61 8.00 -0.36 -4.15 116.55 121.06 1agj n ASP 137 Ca 0.05 0.35 -0.11 0.00 0.71 0.00 0.00 54.79 55.78 1agj n ASP 137 Cb 0.11 0.19 -0.14 0.00 -0.02 0.00 0.00 41.12 41.26 1agj n ASP 137 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1agj h LYS 138 N 0.00 0.09 -4.70 -1.24 1.57 -1.03 -3.46 116.57 107.80 1agj h LYS 138 Ca -0.26 -0.16 -0.40 0.00 -1.87 0.00 0.00 60.65 57.97 1agj h LYS 138 Cb 1.84 0.06 -0.29 0.00 0.08 0.00 0.00 32.23 33.92 1agj h LYS 138 CO 0.06 0.86 -0.78 0.42 -0.57 0.00 0.00 179.45 179.44 1agj s ILE 139 N -2.63 0.71 -0.07 1.86 1.01 0.20 -5.11 121.20 117.16 1agj s ILE 139 Ca -0.06 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 1agj s ILE 139 Cb 0.08 -0.60 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 1agj s ILE 139 CO 0.83 0.21 1.10 -0.44 0.00 0.00 0.00 174.94 176.64 1agj s SER 140 N -0.15 7.16 0.87 3.58 0.01 -1.26 -4.12 113.70 119.78 1agj s SER 140 Ca 0.03 1.68 -0.12 0.00 1.31 0.00 0.00 55.95 58.85 1agj s SER 140 Cb -0.04 -2.56 0.10 0.00 0.21 0.00 0.00 66.02 63.73 1agj s SER 140 CO -0.00 -0.50 1.04 -2.65 0.41 0.00 0.00 173.24 171.53 1agj n PRO 141 N 5.02 -0.13 -1.83 12.44 -0.02 -1.26 -4.76 135.00 144.46 1agj n PRO 141 Ca 0.10 0.03 -0.39 0.00 -2.02 0.00 0.00 63.50 61.22 1agj n PRO 141 Cb 0.48 -2.31 0.03 0.00 -0.02 0.00 0.00 33.50 31.68 1agj n PRO 141 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1agj s ALA 142 N -2.35 2.97 -0.10 3.55 0.00 -0.05 -4.95 121.76 120.83 1agj s ALA 142 Ca 0.68 1.34 -0.29 0.00 0.00 0.00 0.00 51.96 53.70 1agj s ALA 142 Cb -0.26 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.29 1agj s ALA 142 CO 0.56 -1.25 0.97 0.15 0.00 0.00 0.00 175.76 176.19 1agj s LYS 143 N -2.73 4.42 -0.28 0.00 1.02 -1.26 -4.80 119.74 116.11 1agj s LYS 143 Ca 0.67 1.33 -0.21 0.00 0.02 0.00 0.00 55.97 57.78 1agj s LYS 143 Cb -0.41 -3.53 -0.01 0.00 -0.52 0.00 0.00 37.83 33.36 1agj s LYS 143 CO 0.49 -0.27 0.64 0.42 -0.92 0.00 0.00 175.35 175.72 1agj s ILE 144 N 1.86 4.95 0.00 2.17 1.01 -1.26 0.42 121.20 130.35 1agj s ILE 144 Ca 0.47 1.03 0.00 0.00 0.00 0.00 0.00 60.65 62.15 1agj s ILE 144 Cb -0.18 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.31 1agj s ILE 144 CO 0.18 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.67 1agj n GLY 145 N 4.26 1.83 3.18 6.18 0.00 0.75 -4.81 105.19 116.58 1agj n GLY 145 Ca -0.00 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.19 1agj n GLY 145 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1agj s THR 146 N 4.53 0.10 -1.51 2.61 -1.32 -1.26 -4.86 115.64 113.93 1agj s THR 146 Ca 0.00 -0.80 0.23 0.00 -1.21 0.00 0.00 61.69 59.91 1agj s THR 146 Cb 0.00 -0.78 -0.05 0.00 -1.51 0.00 0.00 72.50 70.16 1agj s THR 146 CO 0.00 -0.44 1.11 -1.54 -2.21 0.00 0.00 174.62 171.55 1agj n SER 147 N 0.90 1.37 -0.34 8.08 3.41 -0.75 -4.50 113.62 121.79 1agj n SER 147 Ca -0.20 -1.12 0.09 0.00 -0.26 0.00 0.00 58.87 57.39 1agj n SER 147 Cb 0.58 0.60 0.29 0.00 -0.26 0.00 0.00 64.21 65.42 1agj n SER 147 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1agj h ASN 148 N 1.14 0.83 -0.66 4.04 2.35 -1.93 -2.33 115.58 119.01 1agj h ASN 148 Ca 0.00 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1agj h ASN 148 Cb 0.60 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1agj h ASN 148 CO 0.00 0.42 0.00 -0.90 -1.65 0.00 0.00 177.43 175.30 1agj n ASP 149 N -4.62 4.15 -4.78 5.81 5.68 -1.26 -4.96 116.55 116.56 1agj n ASP 149 Ca 0.19 -2.21 -0.35 0.00 -0.50 0.00 0.00 54.79 51.92 1agj n ASP 149 Cb 0.42 -0.52 -0.02 0.00 -1.14 0.00 0.00 41.12 39.86 1agj n ASP 149 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1agj s LEU 150 N -1.38 3.89 0.07 -2.12 1.43 -0.88 -5.04 118.68 114.65 1agj s LEU 150 Ca 0.48 2.10 0.04 0.00 -1.03 0.00 0.00 54.13 55.72 1agj s LEU 150 Cb 0.28 -4.45 -0.03 0.00 0.03 0.00 0.00 46.19 42.02 1agj s LEU 150 CO 0.28 -0.91 -0.11 -0.54 0.23 0.00 0.00 176.35 175.29 1agj s LYS 151 N -3.04 0.77 0.24 1.70 1.02 -1.26 -5.08 119.74 114.09 1agj s LYS 151 Ca 0.67 -0.99 -0.30 0.00 0.02 0.00 0.00 55.97 55.37 1agj s LYS 151 Cb -0.22 -0.60 -0.14 0.00 -0.52 0.00 0.00 37.83 36.35 1agj s LYS 151 CO 0.26 0.12 1.21 -3.47 -0.92 0.00 0.00 175.35 172.54 1agj n ASP 152 N 1.04 1.91 0.00 2.83 -0.08 -1.26 -1.07 116.55 119.93 1agj n ASP 152 Ca -0.20 1.16 0.00 0.00 -1.51 0.00 0.00 54.79 54.24 1agj n ASP 152 Cb 0.56 -1.33 0.00 0.00 2.34 0.00 0.00 41.12 42.69 1agj n ASP 152 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1agj n GLY 153 N 1.70 2.57 3.74 0.27 0.00 0.17 -4.96 105.19 108.68 1agj n GLY 153 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1agj n GLY 153 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1agj n ASP 154 N 0.00 2.83 -4.59 1.61 8.00 -0.23 -4.58 116.55 119.59 1agj n ASP 154 Ca 0.00 1.03 -0.34 0.00 0.71 0.00 0.00 54.79 56.19 1agj n ASP 154 Cb 0.00 -1.57 -0.11 0.00 -0.02 0.00 0.00 41.12 39.42 1agj n ASP 154 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1agj s LYS 155 N -2.67 3.34 0.27 -1.24 -0.14 -1.26 -0.67 119.74 117.37 1agj s LYS 155 Ca 0.67 -0.46 0.02 0.00 -1.36 0.00 0.00 55.97 54.84 1agj s LYS 155 Cb -0.44 -2.86 -0.04 0.00 -1.68 0.00 0.00 37.83 32.81 1agj s LYS 155 CO 0.53 0.47 0.15 -0.51 -0.76 0.00 0.00 175.35 175.23 1agj s LEU 156 N -0.25 1.54 -0.18 3.17 1.43 -0.30 -4.86 118.68 119.23 1agj s LEU 156 Ca 0.05 -1.50 -0.03 0.00 -1.03 0.00 0.00 54.13 51.62 1agj s LEU 156 Cb -0.12 0.24 -0.02 0.00 0.03 0.00 0.00 46.19 46.32 1agj s LEU 156 CO 0.02 -0.86 -0.06 -1.61 0.23 0.00 0.00 176.35 174.07 1agj s GLU 157 N -3.91 3.48 -0.22 1.70 0.41 -0.68 -0.87 118.70 118.62 1agj s GLU 157 Ca 0.37 -0.60 -0.06 0.00 -0.41 0.00 0.00 54.97 54.27 1agj s GLU 157 Cb 0.06 -2.90 -0.03 0.00 -1.78 0.00 0.00 34.13 29.48 1agj s GLU 157 CO 0.16 0.04 0.04 -1.17 -0.49 0.00 0.00 175.26 173.85 1agj s LEU 158 N 0.86 3.45 -0.12 1.80 0.20 0.38 -0.03 118.68 125.22 1agj s LEU 158 Ca -0.01 -0.15 0.03 0.00 0.69 0.00 0.00 54.13 54.69 1agj s LEU 158 Cb -0.15 -1.90 0.01 0.00 -0.43 0.00 0.00 46.19 43.72 1agj s LEU 158 CO 0.01 0.04 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.26 1agj s ILE 159 N 1.15 1.97 0.00 6.68 1.01 0.54 0.01 121.20 132.56 1agj s ILE 159 Ca 0.04 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.74 1agj s ILE 159 Cb -0.14 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.60 1agj s ILE 159 CO 0.03 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.11 1agj n GLY 160 N 3.81 1.57 3.10 6.18 0.00 -0.73 -1.46 105.19 117.66 1agj n GLY 160 Ca -0.20 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 1agj n GLY 160 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1agj s TYR 161 N -3.45 3.59 -1.26 1.61 2.02 -1.26 -1.02 117.35 117.58 1agj s TYR 161 Ca 0.00 -2.56 -0.16 0.00 -0.37 0.00 0.00 57.07 53.98 1agj s TYR 161 Cb 0.00 -3.17 -0.01 0.00 -0.40 0.00 0.00 41.96 38.38 1agj s TYR 161 CO 0.00 -0.95 2.13 -0.35 -1.57 0.00 0.00 175.55 174.80 1agj n PRO 162 N 4.41 2.48 -0.32 -1.71 -0.04 -1.26 -3.49 135.00 135.07 1agj n PRO 162 Ca -0.00 -2.42 0.07 0.00 -0.04 0.00 0.00 63.50 61.12 1agj n PRO 162 Cb 0.41 -3.20 0.17 0.00 -0.04 0.00 0.00 33.50 30.84 1agj n PRO 162 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1agj h PHE 163 N 6.61 -0.31 0.00 0.54 3.04 -1.81 0.28 116.94 125.30 1agj h PHE 163 Ca 0.52 0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.54 1agj h PHE 163 Cb 0.66 0.28 -0.00 0.00 2.56 0.00 0.00 35.95 39.45 1agj h PHE 163 CO 1.40 -0.39 -0.03 -0.44 -2.02 0.00 0.00 178.31 176.83 1agj h ASP 164 N 0.02 0.00 0.00 0.41 5.19 -1.93 -3.15 116.42 116.95 1agj h ASP 164 Ca 0.48 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.88 1agj h ASP 164 Cb 0.84 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.34 1agj h ASP 164 CO -0.91 0.03 -0.65 1.57 -3.12 0.00 0.00 179.24 176.16 1agj n HIS 165 N -3.38 0.76 -4.00 4.55 -0.00 0.85 -4.97 115.22 109.03 1agj n HIS 165 Ca -0.02 0.33 -0.16 0.00 -0.00 0.00 0.00 57.72 57.86 1agj n HIS 165 Cb 0.14 -0.74 -0.16 0.00 -0.00 0.00 0.00 29.99 29.24 1agj n HIS 165 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1agj s LYS 166 N -2.37 0.35 -0.04 1.57 -0.14 -0.39 -5.12 119.74 113.59 1agj s LYS 166 Ca -0.18 -0.01 -0.30 0.00 -1.36 0.00 0.00 55.97 54.12 1agj s LYS 166 Cb 0.03 -0.45 -0.04 0.00 -1.68 0.00 0.00 37.83 35.69 1agj s LYS 166 CO 0.28 -0.06 1.32 0.08 -0.76 0.00 0.00 175.35 176.21 1agj s VAL 167 N 0.64 3.96 -1.43 3.17 1.01 -1.24 -3.74 120.40 122.78 1agj s VAL 167 Ca -0.07 1.30 -0.05 0.00 0.00 0.00 0.00 61.98 63.17 1agj s VAL 167 Cb -0.10 -3.84 0.03 0.00 0.00 0.00 0.00 36.38 32.48 1agj s VAL 167 CO -0.01 -0.02 0.66 0.59 0.00 0.00 0.00 175.10 176.32 1agj n ASN 168 N 5.48 -1.77 -3.82 3.32 3.02 -1.26 -4.34 115.26 115.88 1agj n ASN 168 Ca 0.13 -0.90 -0.29 0.00 -0.03 0.00 0.00 54.58 53.48 1agj n ASN 168 Cb 0.45 -3.50 -0.16 0.00 -0.61 0.00 0.00 39.78 35.95 1agj n ASN 168 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1agj s GLN 169 N -6.42 1.08 0.22 3.52 -0.21 -1.25 -1.17 119.66 115.43 1agj s GLN 169 Ca 0.21 -0.74 -0.31 0.00 0.02 0.00 0.00 55.36 54.53 1agj s GLN 169 Cb -0.11 -2.32 -0.11 0.00 1.00 0.00 0.00 33.01 31.47 1agj s GLN 169 CO 0.86 -0.66 1.63 1.41 -2.12 0.00 0.00 175.29 176.41 1agj s MET 170 N 1.63 4.16 0.11 2.91 -2.45 -1.26 -4.31 119.30 120.08 1agj s MET 170 Ca -0.02 2.52 0.05 0.00 -1.25 0.00 0.00 55.69 56.99 1agj s MET 170 Cb -0.18 -3.08 -0.04 0.00 1.25 0.00 0.00 34.83 32.78 1agj s MET 170 CO -0.09 -0.66 -0.12 -1.01 1.05 0.00 0.00 175.02 174.19 1agj s HIS 171 N 0.75 1.25 -0.04 4.11 3.76 -0.19 -0.60 115.29 124.33 1agj s HIS 171 Ca 0.69 -0.59 0.05 0.00 -0.15 0.00 0.00 55.06 55.07 1agj s HIS 171 Cb -0.47 -0.66 -0.02 0.00 1.11 0.00 0.00 32.58 32.53 1agj s HIS 171 CO 0.37 0.08 -0.19 -0.98 -0.85 0.00 0.00 174.74 173.17 1agj s ARG 172 N -2.67 2.33 -0.06 1.40 1.70 0.07 -1.77 118.95 119.94 1agj s ARG 172 Ca 0.07 -0.80 0.03 0.00 -0.47 0.00 0.00 55.73 54.56 1agj s ARG 172 Cb -0.04 -2.24 0.00 0.00 -0.57 0.00 0.00 34.95 32.10 1agj s ARG 172 CO 0.02 0.60 -0.16 -1.12 -1.08 0.00 0.00 175.30 173.55 1agj s SER 173 N -0.70 2.13 0.01 -2.89 0.01 0.10 -1.48 113.70 110.89 1agj s SER 173 Ca 0.11 -0.36 -0.25 0.00 1.31 0.00 0.00 55.95 56.76 1agj s SER 173 Cb -0.10 -0.82 -0.05 0.00 0.21 0.00 0.00 66.02 65.26 1agj s SER 173 CO -0.00 0.10 0.76 -0.70 0.41 0.00 0.00 173.24 173.82 1agj s GLU 174 N 0.35 4.48 0.21 12.44 2.12 -0.15 -0.47 118.70 137.69 1agj s GLU 174 Ca -0.11 1.04 0.11 0.00 0.36 0.00 0.00 54.97 56.38 1agj s GLU 174 Cb -0.14 -3.39 -0.05 0.00 0.26 0.00 0.00 34.13 30.81 1agj s GLU 174 CO 0.04 0.21 -0.23 0.96 -0.54 0.00 0.00 175.26 175.70 1agj s ILE 175 N 0.23 2.41 -0.17 -3.70 -4.36 -0.05 -4.52 121.20 111.04 1agj s ILE 175 Ca 0.39 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.67 1agj s ILE 175 Cb -0.20 -2.18 0.04 0.00 1.25 0.00 0.00 42.46 41.37 1agj s ILE 175 CO 0.22 -0.18 -0.08 -0.70 0.24 0.00 0.00 174.94 174.44 1agj s GLU 176 N -2.88 1.74 0.45 0.37 2.12 -0.06 -1.15 118.70 119.30 1agj s GLU 176 Ca 0.23 -0.59 -0.25 0.00 0.36 0.00 0.00 54.97 54.72 1agj s GLU 176 Cb -0.07 -2.09 -0.08 0.00 0.26 0.00 0.00 34.13 32.15 1agj s GLU 176 CO 0.11 -0.39 1.36 -0.51 -0.54 0.00 0.00 175.26 175.29 1agj s LEU 177 N 1.55 4.10 0.00 2.70 1.43 0.16 -0.84 118.68 127.77 1agj s LEU 177 Ca 0.01 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 1agj s LEU 177 Cb -0.15 -4.00 0.00 0.00 0.03 0.00 0.00 46.19 42.07 1agj s LEU 177 CO -0.08 -1.12 0.00 1.07 0.23 0.00 0.00 176.35 176.45 1agj n THR 178 N -0.25 0.00 -1.51 5.49 5.66 -0.28 0.41 114.28 123.80 1agj n THR 178 Ca 0.06 0.00 -0.40 0.00 -3.05 0.00 0.00 64.05 60.66 1agj n THR 178 Cb 0.43 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.08 1agj n THR 178 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1agj n THR 179 N 0.00 -0.02 1.49 1.09 -1.04 -1.26 -4.45 114.28 110.09 1agj n THR 179 Ca 0.00 -0.14 0.12 0.00 -2.04 0.00 0.00 64.05 61.99 1agj n THR 179 Cb 0.00 -0.89 0.51 0.00 -1.82 0.00 0.00 70.33 68.13 1agj n THR 179 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1agj n LEU 180 N 11.42 1.25 -0.14 -4.42 4.77 -1.26 -4.00 117.00 124.62 1agj n LEU 180 Ca 0.61 -0.47 0.02 0.00 -0.03 0.00 0.00 56.01 56.13 1agj n LEU 180 Cb 0.12 -0.04 0.31 0.00 -2.33 0.00 0.00 43.42 41.48 1agj n LEU 180 CO 0.90 0.24 1.21 0.77 -1.33 0.00 0.00 177.39 179.18 1agj h SER 181 N 1.80 0.72 -2.31 -1.43 4.64 -2.01 -3.18 113.55 111.79 1agj h SER 181 Ca 0.00 -0.02 -0.67 0.00 -0.47 0.00 0.00 61.79 60.64 1agj h SER 181 Cb 0.39 -0.18 -0.37 0.00 -0.31 0.00 0.00 62.40 61.93 1agj h SER 181 CO 0.00 0.52 -0.08 -2.11 -0.87 0.00 0.00 176.83 174.29 1agj n ARG 182 N -4.44 3.84 -0.23 4.77 1.85 -1.26 -5.06 116.66 116.13 1agj n ARG 182 Ca 0.06 -4.77 0.03 0.00 -1.00 0.00 0.00 57.85 52.18 1agj n ARG 182 Cb 0.04 -2.32 -0.01 0.00 -1.05 0.00 0.00 32.46 29.12 1agj n ARG 182 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1agj n GLY 183 N 0.05 -2.21 3.59 2.89 0.00 -1.20 -4.73 105.19 103.58 1agj n GLY 183 Ca 0.35 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 1agj n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1agj s LEU 184 N 0.00 3.48 -0.03 0.99 2.96 -1.22 -4.40 118.68 120.46 1agj s LEU 184 Ca 0.00 0.80 0.07 0.00 -0.22 0.00 0.00 54.13 54.78 1agj s LEU 184 Cb 0.00 -3.29 -0.02 0.00 0.50 0.00 0.00 46.19 43.39 1agj s LEU 184 CO 0.00 -1.72 -0.24 -0.13 -1.32 0.00 0.00 176.35 172.94 1agj s ARG 185 N 5.60 2.04 0.09 1.98 0.52 -1.26 -0.41 118.95 127.51 1agj s ARG 185 Ca 0.66 -0.85 -0.24 0.00 -0.52 0.00 0.00 55.73 54.78 1agj s ARG 185 Cb -0.16 -1.91 0.06 0.00 0.52 0.00 0.00 34.95 33.47 1agj s ARG 185 CO 0.30 0.48 0.59 1.52 0.02 0.00 0.00 175.30 178.20 1agj s TYR 186 N -0.46 -0.52 0.22 -0.53 1.13 -0.60 -1.13 117.35 115.47 1agj s TYR 186 Ca 0.06 0.48 -0.17 0.00 -1.41 0.00 0.00 57.07 56.04 1agj s TYR 186 Cb -0.10 0.47 -0.08 0.00 -1.10 0.00 0.00 41.96 41.15 1agj s TYR 186 CO 0.00 -0.75 0.67 0.71 -2.51 0.00 0.00 175.55 173.67 1agj s TYR 187 N -3.00 3.57 0.00 -3.49 2.02 -0.02 -1.88 117.35 114.55 1agj s TYR 187 Ca -0.02 1.24 0.00 0.00 -0.37 0.00 0.00 57.07 57.91 1agj s TYR 187 Cb -0.01 -2.51 0.00 0.00 -0.40 0.00 0.00 41.96 39.04 1agj s TYR 187 CO -0.06 0.31 0.00 0.41 -1.57 0.00 0.00 175.55 174.64 1agj n GLY 188 N 0.48 3.23 3.67 0.71 0.00 -1.26 -0.88 105.19 111.14 1agj n GLY 188 Ca -0.02 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 1agj n GLY 188 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1agj s PHE 189 N -2.00 3.39 0.10 1.61 5.36 -1.26 -4.91 117.98 120.27 1agj s PHE 189 Ca 0.00 0.72 -0.09 0.00 -0.96 0.00 0.00 56.93 56.60 1agj s PHE 189 Cb 0.00 -2.59 -0.00 0.00 -0.34 0.00 0.00 43.02 40.08 1agj s PHE 189 CO 0.00 -0.03 0.21 0.95 -1.46 0.00 0.00 175.22 174.89 1agj s THR 190 N 1.37 0.13 0.20 0.12 -4.23 -1.26 -4.83 115.64 107.14 1agj s THR 190 Ca 0.22 -1.22 0.02 0.00 -1.18 0.00 0.00 61.69 59.53 1agj s THR 190 Cb -0.15 -1.44 -0.05 0.00 1.34 0.00 0.00 72.50 72.21 1agj s THR 190 CO 0.09 -0.58 0.01 0.68 -0.54 0.00 0.00 174.62 174.27 1agj s VAL 191 N -3.88 0.80 0.37 2.29 -7.23 -1.26 -5.02 120.40 106.46 1agj s VAL 191 Ca 0.07 -2.00 0.15 0.00 -1.81 0.00 0.00 61.98 58.39 1agj s VAL 191 Cb 0.05 -2.24 0.36 0.00 0.56 0.00 0.00 36.38 35.11 1agj s VAL 191 CO -0.09 -0.38 1.75 -0.65 -0.31 0.00 0.00 175.10 175.42 1agj h PRO 192 N 2.59 0.45 0.00 4.82 0.11 -1.97 0.20 132.00 138.20 1agj h PRO 192 Ca -0.37 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1agj h PRO 192 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1agj h PRO 192 CO 0.63 0.30 0.00 0.78 -0.21 0.00 0.00 178.00 179.50 1agj h GLY 193 N 0.46 0.00 1.83 -0.55 0.00 -1.81 -0.67 103.07 102.34 1agj h GLY 193 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.95 1agj h GLY 193 CO -0.37 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.87 1agj n ASN 194 N -3.07 0.00 -4.66 0.19 4.13 0.70 -3.07 115.26 109.47 1agj n ASN 194 Ca -0.03 0.32 -0.50 0.00 1.68 0.00 0.00 54.58 56.05 1agj n ASN 194 Cb 0.09 -0.42 -0.05 0.00 -1.54 0.00 0.00 39.78 37.86 1agj n ASN 194 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1agj n SER 195 N -1.42 2.74 0.00 6.41 7.64 -0.26 -0.22 113.62 128.52 1agj n SER 195 Ca 0.06 1.06 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1agj n SER 195 Cb 0.18 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.07 1agj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1agj n GLY 196 N 3.57 0.63 3.76 0.23 0.00 -0.27 -0.88 105.19 112.24 1agj n GLY 196 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 1agj n GLY 196 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1agj s SER 197 N -2.95 5.91 0.22 1.61 0.01 0.70 -3.66 113.70 115.53 1agj s SER 197 Ca 0.00 2.71 -0.26 0.00 1.31 0.00 0.00 55.95 59.71 1agj s SER 197 Cb 0.00 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 63.51 1agj s SER 197 CO 0.00 -1.13 0.84 -0.83 0.41 0.00 0.00 173.24 172.53 1agj s GLY 198 N -0.81 2.93 -0.23 3.44 0.00 -0.54 -0.65 107.32 111.47 1agj s GLY 198 Ca 0.63 0.44 -0.03 0.00 0.00 0.00 0.00 44.72 45.75 1agj s GLY 198 CO 0.49 0.94 -0.04 -0.42 0.00 0.00 0.00 173.10 174.07 1agj s ILE 199 N -1.27 3.26 0.10 0.90 1.01 0.22 -0.34 121.20 125.09 1agj s ILE 199 Ca 0.40 -0.63 0.09 0.00 0.00 0.00 0.00 60.65 60.52 1agj s ILE 199 Cb -0.23 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1agj s ILE 199 CO 0.27 0.36 -0.21 -0.36 0.00 0.00 0.00 174.94 175.00 1agj s PHE 200 N 1.44 2.46 0.62 3.97 0.40 0.95 -0.57 117.98 127.26 1agj s PHE 200 Ca 0.05 -0.30 0.05 0.00 -0.60 0.00 0.00 56.93 56.12 1agj s PHE 200 Cb -0.15 -1.34 0.09 0.00 0.51 0.00 0.00 43.02 42.14 1agj s PHE 200 CO -0.04 0.34 0.85 0.54 0.70 0.00 0.00 175.22 177.61 1agj s ASN 201 N -1.95 4.86 0.53 1.36 2.20 -0.58 -1.69 114.94 119.67 1agj s ASN 201 Ca 0.16 -0.60 0.21 0.00 -0.94 0.00 0.00 52.86 51.69 1agj s ASN 201 Cb -0.10 0.06 1.34 0.00 -2.00 0.00 0.00 41.25 40.55 1agj s ASN 201 CO 0.08 -1.49 2.08 0.77 -2.94 0.00 0.00 177.10 175.59 1agj h SER 202 N -0.07 0.00 0.00 3.54 4.64 -1.90 -0.60 113.55 119.17 1agj h SER 202 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1agj h SER 202 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1agj h SER 202 CO 0.41 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.96 1agj n ASN 203 N -4.45 0.00 -0.08 4.97 5.03 -1.26 -4.85 115.26 114.62 1agj n ASN 203 Ca 0.03 -1.11 -0.01 0.00 0.87 0.00 0.00 54.58 54.36 1agj n ASN 203 Cb 0.34 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.09 1agj n ASN 203 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1agj n GLY 204 N 0.59 0.49 3.83 7.41 0.00 -0.23 -5.02 105.19 112.26 1agj n GLY 204 Ca 0.14 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 1agj n GLY 204 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1agj s GLU 205 N -1.00 4.02 -0.23 1.61 2.02 -1.26 -4.33 118.70 119.54 1agj s GLU 205 Ca 0.00 0.53 -0.29 0.00 0.02 0.00 0.00 54.97 55.23 1agj s GLU 205 Cb 0.00 -3.19 0.01 0.00 0.10 0.00 0.00 34.13 31.05 1agj s GLU 205 CO 0.00 0.65 1.08 -1.17 0.02 0.00 0.00 175.26 175.83 1agj s LEU 206 N -1.21 4.09 0.00 1.80 2.96 0.17 -1.52 118.68 124.98 1agj s LEU 206 Ca 0.27 1.39 0.06 0.00 -0.22 0.00 0.00 54.13 55.64 1agj s LEU 206 Cb -0.17 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1agj s LEU 206 CO 0.16 -0.70 0.36 1.33 -1.32 0.00 0.00 176.35 176.18 1agj n VAL 207 N 5.38 0.00 -3.67 1.68 0.24 0.27 -0.17 118.33 122.06 1agj n VAL 207 Ca 0.12 -0.39 -0.01 0.00 -2.04 0.00 0.00 64.34 62.02 1agj n VAL 207 Cb 0.46 1.03 -0.01 0.00 -1.47 0.00 0.00 33.84 33.85 1agj n VAL 207 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1agj s GLY 208 N -1.32 -0.34 -0.07 7.63 0.00 -1.16 -0.64 107.32 111.42 1agj s GLY 208 Ca 0.04 0.53 0.01 0.00 0.00 0.00 0.00 44.72 45.30 1agj s GLY 208 CO 0.20 0.10 -0.09 -0.42 0.00 0.00 0.00 173.10 172.89 1agj s ILE 209 N -2.77 0.96 0.39 0.90 -1.09 0.10 -0.61 121.20 119.09 1agj s ILE 209 Ca 0.13 -0.34 -0.27 0.00 -2.23 0.00 0.00 60.65 57.94 1agj s ILE 209 Cb 0.02 -0.92 -0.09 0.00 -1.58 0.00 0.00 42.46 39.89 1agj s ILE 209 CO -0.02 0.33 1.33 -2.28 -1.23 0.00 0.00 174.94 173.07 1agj s HIS 210 N 0.99 2.80 0.02 3.97 5.65 0.17 -0.09 115.29 128.81 1agj s HIS 210 Ca -0.09 1.38 -0.02 0.00 0.25 0.00 0.00 55.06 56.58 1agj s HIS 210 Cb -0.15 -3.72 -0.01 0.00 -1.18 0.00 0.00 32.58 27.52 1agj s HIS 210 CO 0.00 -2.20 -0.04 0.45 -0.65 0.00 0.00 174.74 172.30 1agj n SER 211 N 0.24 0.68 -0.70 9.88 2.88 -0.16 -1.11 113.62 125.33 1agj n SER 211 Ca 0.03 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1agj n SER 211 Cb 0.43 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1agj n SER 211 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1agj n SER 212 N -3.13 0.00 -4.79 -3.46 3.41 -0.73 -4.53 113.62 100.39 1agj n SER 212 Ca -0.02 -0.70 -0.36 0.00 -0.26 0.00 0.00 58.87 57.53 1agj n SER 212 Cb 0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 1agj n SER 212 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1agj s LYS 213 N -1.10 3.26 0.20 4.33 1.02 -1.26 0.69 119.74 126.87 1agj s LYS 213 Ca 0.00 -0.25 0.03 0.00 0.02 0.00 0.00 55.97 55.77 1agj s LYS 213 Cb 0.00 -3.02 -0.05 0.00 -0.52 0.00 0.00 37.83 34.24 1agj s LYS 213 CO 0.00 0.74 -0.03 0.14 -0.92 0.00 0.00 175.35 175.28 1agj s VAL 214 N -0.94 1.01 0.56 3.17 -7.23 -0.31 -4.91 120.40 111.75 1agj s VAL 214 Ca 0.14 -2.03 -0.20 0.00 -1.81 0.00 0.00 61.98 58.08 1agj s VAL 214 Cb -0.12 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 1agj s VAL 214 CO 0.03 -0.47 1.23 -0.94 -0.31 0.00 0.00 175.10 174.65 1agj s SER 215 N -3.24 5.40 -0.06 4.85 1.04 -1.26 -1.47 113.70 118.96 1agj s SER 215 Ca 0.24 2.46 -0.04 0.00 0.48 0.00 0.00 55.95 59.10 1agj s SER 215 Cb 0.05 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.59 1agj s SER 215 CO 0.06 -1.45 0.13 -2.28 0.98 0.00 0.00 173.24 170.68 1agj s HIS 216 N -1.52 -0.15 0.00 5.02 5.04 0.58 -4.72 115.29 119.54 1agj s HIS 216 Ca 0.73 0.40 0.00 0.00 -1.54 0.00 0.00 55.06 54.66 1agj s HIS 216 Cb -0.32 -0.02 0.00 0.00 0.04 0.00 0.00 32.58 32.28 1agj s HIS 216 CO 0.37 -0.11 0.00 1.28 -2.34 0.00 0.00 174.74 173.93 1agj n LEU 217 N 3.59 0.00 0.00 8.88 4.77 -1.26 -4.12 117.00 128.86 1agj n LEU 217 Ca -0.19 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.72 1agj n LEU 217 Cb 0.56 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.63 1agj n LEU 217 CO 0.20 0.00 0.07 -0.90 -1.33 0.00 0.00 177.39 175.43 1agj n ASP 218 N 2.34 -0.60 0.06 -1.43 5.68 -1.26 -4.66 116.55 116.68 1agj n ASP 218 Ca 0.00 -1.89 0.10 0.00 -0.50 0.00 0.00 54.79 52.51 1agj n ASP 218 Cb 0.00 1.14 0.43 0.00 -1.14 0.00 0.00 41.12 41.55 1agj n ASP 218 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1agj n ARG 219 N -0.27 0.10 -0.37 0.11 1.74 -1.26 -3.51 116.66 113.20 1agj n ARG 219 Ca 0.01 0.26 0.09 0.00 -0.77 0.00 0.00 57.85 57.44 1agj n ARG 219 Cb 0.27 -1.66 0.23 0.00 -1.02 0.00 0.00 32.46 30.28 1agj n ARG 219 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1agj n GLU 220 N -1.84 2.63 -4.28 5.56 1.02 -1.26 -4.93 120.64 117.55 1agj n GLU 220 Ca 0.04 -2.76 -0.16 0.00 -0.02 0.00 0.00 57.16 54.26 1agj n GLU 220 Cb 0.25 -1.76 -0.10 0.00 -0.02 0.00 0.00 31.44 29.81 1agj n GLU 220 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1agj s HIS 221 N -2.76 1.43 0.24 -0.32 3.76 -1.23 -5.03 115.29 111.38 1agj s HIS 221 Ca 0.39 -0.66 0.05 0.00 -0.15 0.00 0.00 55.06 54.69 1agj s HIS 221 Cb 0.32 -0.71 -0.05 0.00 1.11 0.00 0.00 32.58 33.25 1agj s HIS 221 CO 0.08 0.18 -0.04 -0.65 -0.85 0.00 0.00 174.74 173.47 1agj s GLN 222 N -3.51 1.39 0.10 1.40 -0.21 -1.26 -0.31 119.66 117.25 1agj s GLN 222 Ca 0.17 -1.69 -0.21 0.00 0.02 0.00 0.00 55.36 53.64 1agj s GLN 222 Cb 0.00 -0.83 0.05 0.00 1.00 0.00 0.00 33.01 33.24 1agj s GLN 222 CO 0.03 -0.02 0.52 -1.50 -2.12 0.00 0.00 175.29 172.20 1agj s ILE 223 N -3.25 0.03 0.34 1.08 1.10 -0.54 -4.66 121.20 115.29 1agj s ILE 223 Ca 0.28 -0.23 -0.23 0.00 -0.51 0.00 0.00 60.65 59.95 1agj s ILE 223 Cb 0.04 -1.03 -0.10 0.00 0.15 0.00 0.00 42.46 41.53 1agj s ILE 223 CO 0.09 -0.13 0.89 0.20 -2.11 0.00 0.00 174.94 173.88 1agj s ASN 224 N -2.39 7.14 -0.05 4.50 0.01 -0.79 -1.16 114.94 122.20 1agj s ASN 224 Ca -0.02 1.68 0.04 0.00 -0.71 0.00 0.00 52.86 53.85 1agj s ASN 224 Cb -0.00 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.14 1agj s ASN 224 CO -0.07 -0.14 -0.16 -0.47 -1.51 0.00 0.00 177.10 174.75 1agj s TYR 225 N -1.78 1.63 0.21 2.20 5.04 0.22 -1.55 117.35 123.31 1agj s TYR 225 Ca 0.53 -0.51 0.03 0.00 -2.44 0.00 0.00 57.07 54.67 1agj s TYR 225 Cb -0.15 -1.12 -0.05 0.00 0.35 0.00 0.00 41.96 40.99 1agj s TYR 225 CO 0.20 -0.20 0.00 0.20 -1.34 0.00 0.00 175.55 174.41 1agj s GLY 226 N 0.22 1.44 -0.31 8.97 0.00 0.45 -0.99 107.32 117.11 1agj s GLY 226 Ca -0.07 -1.70 -0.11 0.00 0.00 0.00 0.00 44.72 42.84 1agj s GLY 226 CO 0.03 -1.61 0.18 0.14 0.00 0.00 0.00 173.10 171.84 1agj s VAL 227 N -3.52 4.96 0.55 1.40 1.01 0.87 -3.42 120.40 122.25 1agj s VAL 227 Ca 0.27 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 1agj s VAL 227 Cb 0.06 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 32.91 1agj s VAL 227 CO 0.07 0.12 1.01 -0.83 0.00 0.00 0.00 175.10 175.47 1agj s GLY 228 N 1.68 2.02 -1.29 4.51 0.00 -1.26 -0.72 107.32 112.26 1agj s GLY 228 Ca 0.06 0.18 -0.15 0.00 0.00 0.00 0.00 44.72 44.81 1agj s GLY 228 CO 0.08 0.47 1.71 1.39 0.00 0.00 0.00 173.10 176.75 1agj n ILE 229 N -1.85 4.04 -1.15 0.90 2.08 0.19 -4.87 119.36 118.71 1agj n ILE 229 Ca 0.07 -4.23 0.00 0.00 0.56 0.00 0.00 62.75 59.15 1agj n ILE 229 Cb 0.54 -2.42 0.00 0.00 -0.75 0.00 0.00 39.64 37.01 1agj n ILE 229 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1agj n GLY 230 N 4.51 -0.30 0.09 7.39 0.00 -1.26 -1.81 105.19 113.80 1agj n GLY 230 Ca 0.44 -1.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.60 1agj n GLY 230 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1agj h ASN 231 N 0.00 -0.13 -0.01 1.61 2.35 -1.99 -0.45 115.58 116.96 1agj h ASN 231 Ca 0.00 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1agj h ASN 231 Cb 0.00 0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1agj h ASN 231 CO 0.00 -0.06 0.00 0.22 -1.65 0.00 0.00 177.43 175.95 1agj h TYR 232 N -0.03 0.02 -0.50 1.19 3.20 -1.97 -1.11 116.97 117.77 1agj h TYR 232 Ca 0.05 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.95 1agj h TYR 232 Cb 0.11 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 1agj h TYR 232 CO -0.16 0.27 0.27 0.28 -1.64 0.00 0.00 178.16 177.18 1agj h VAL 233 N -0.24 1.00 -0.87 1.81 2.07 -1.88 -0.41 116.25 117.74 1agj h VAL 233 Ca 0.00 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1agj h VAL 233 Cb 0.26 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1agj h VAL 233 CO 0.00 0.10 0.53 0.50 0.02 0.00 0.00 177.57 178.72 1agj h LYS 234 N 0.54 1.18 -0.30 1.57 1.63 -1.00 -0.31 116.57 119.88 1agj h LYS 234 Ca 0.21 -0.10 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1agj h LYS 234 Cb 0.08 -0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 31.45 1agj h LYS 234 CO -0.12 0.82 0.17 -0.09 -3.45 0.00 0.00 179.45 176.78 1agj h ARG 235 N 1.20 0.41 -0.37 1.90 2.43 -0.35 -0.99 114.38 118.61 1agj h ARG 235 Ca 0.31 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.36 1agj h ARG 235 Cb -0.06 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 1agj h ARG 235 CO -0.06 0.34 -0.10 0.82 -1.51 0.00 0.00 179.97 179.46 1agj h ILE 236 N 0.37 1.24 -0.24 1.20 1.08 -0.68 -1.84 117.51 118.64 1agj h ILE 236 Ca 0.11 -1.06 -0.03 0.00 -0.39 0.00 0.00 64.86 63.49 1agj h ILE 236 Cb 0.05 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.86 1agj h ILE 236 CO -0.02 0.36 0.05 0.40 -0.69 0.00 0.00 178.15 178.25 1agj h ILE 237 N 0.58 1.22 0.00 -0.67 2.04 -0.74 0.42 117.51 120.35 1agj h ILE 237 Ca 0.11 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1agj h ILE 237 Cb 0.52 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1agj h ILE 237 CO 0.03 0.23 -0.05 0.78 0.00 0.00 0.00 178.15 179.14 1agj h ASN 238 N 0.20 0.00 0.09 1.72 2.35 -0.96 0.21 115.58 119.20 1agj h ASN 238 Ca 0.07 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.63 1agj h ASN 238 Cb 0.30 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.69 1agj h ASN 238 CO 0.00 0.05 -0.83 -0.08 -1.65 0.00 0.00 177.43 174.93 1agj h GLU 239 N 0.00 0.39 -0.01 0.81 4.81 -0.79 -3.39 114.58 116.41 1agj h GLU 239 Ca -0.00 -0.55 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1agj h GLU 239 Cb 0.10 0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1agj h GLU 239 CO 0.01 1.22 -0.37 1.63 -0.73 0.00 0.00 179.01 180.77 1agj n LYS 240 N -4.10 1.62 -1.88 1.92 5.02 0.09 -5.01 118.16 115.82 1agj n LYS 240 Ca -0.13 -0.80 -0.37 0.00 -2.02 0.00 0.00 58.31 54.99 1agj n LYS 240 Cb 0.80 -1.30 0.04 0.00 -0.02 0.00 0.00 35.03 34.56 1agj n LYS 240 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1agj s ASN 241 N -1.99 5.14 0.00 4.39 2.47 0.71 -5.05 114.94 120.59 1agj s ASN 241 Ca 0.14 2.57 0.00 0.00 0.42 0.00 0.00 52.86 55.99 1agj s ASN 241 Cb 0.14 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 1agj s ASN 241 CO 0.44 -1.64 0.00 -1.84 -3.72 0.00 0.00 177.10 170.33