#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yjx s LYS 5 N 0.00 3.06 -0.16 -0.72 1.02 -1.26 -0.66 119.74 121.02 1yjx s LYS 5 Ca 0.00 -0.90 -0.07 0.00 0.02 0.00 0.00 55.97 55.03 1yjx s LYS 5 Cb 0.00 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 1yjx s LYS 5 CO 0.00 -0.51 0.07 -1.17 -0.92 0.00 0.00 175.35 172.82 1yjx s LEU 6 N 1.53 3.90 -0.10 3.17 0.20 0.13 -4.21 118.68 123.30 1yjx s LEU 6 Ca 0.03 0.17 0.03 0.00 0.69 0.00 0.00 54.13 55.05 1yjx s LEU 6 Cb -0.18 -1.97 0.01 0.00 -0.43 0.00 0.00 46.19 43.62 1yjx s LEU 6 CO 0.04 0.25 -0.21 -0.69 -0.29 0.00 0.00 176.35 175.45 1yjx s VAL 7 N -0.07 1.86 0.12 1.68 1.01 -1.06 0.11 120.40 124.04 1yjx s VAL 7 Ca 0.07 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.25 1yjx s VAL 7 Cb -0.12 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1yjx s VAL 7 CO 0.01 0.51 -0.15 -0.76 0.00 0.00 0.00 175.10 174.72 1yjx s LEU 8 N 0.55 2.84 -0.16 3.92 1.43 0.15 -1.12 118.68 126.28 1yjx s LEU 8 Ca -0.15 -0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 52.38 1yjx s LEU 8 Cb -0.17 -1.64 0.07 0.00 0.03 0.00 0.00 46.19 44.48 1yjx s LEU 8 CO 0.05 0.17 0.35 -0.51 0.23 0.00 0.00 176.35 176.63 1yjx s ILE 9 N -1.24 -0.42 -0.15 -0.59 2.07 -0.04 0.21 121.20 121.04 1yjx s ILE 9 Ca 0.20 0.20 -0.20 0.00 -1.41 0.00 0.00 60.65 59.44 1yjx s ILE 9 Cb -0.10 -0.55 -0.03 0.00 0.13 0.00 0.00 42.46 41.90 1yjx s ILE 9 CO 0.12 0.08 0.57 -0.60 -1.91 0.00 0.00 174.94 173.20 1yjx s ARG 10 N 2.25 4.28 0.76 3.50 3.52 -1.26 -1.59 118.95 130.41 1yjx s ARG 10 Ca -0.02 0.56 -0.15 0.00 -0.13 0.00 0.00 55.73 55.99 1yjx s ARG 10 Cb -0.11 -3.51 0.02 0.00 -1.56 0.00 0.00 34.95 29.79 1yjx s ARG 10 CO -0.11 -0.05 0.93 -2.39 -0.81 0.00 0.00 175.30 172.87 1yjx n HIS 11 N 4.37 0.47 -0.95 5.12 1.44 -0.93 -0.26 115.22 124.48 1yjx n HIS 11 Ca -0.04 0.38 0.00 0.00 -2.01 0.00 0.00 57.72 56.05 1yjx n HIS 11 Cb 0.51 -2.04 0.00 0.00 0.12 0.00 0.00 29.99 28.57 1yjx n HIS 11 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1yjx n GLY 12 N 1.06 -0.07 3.59 -1.39 0.00 -1.26 -4.39 105.19 102.73 1yjx n GLY 12 Ca 0.12 -1.77 -0.49 0.00 0.00 0.00 0.00 46.02 43.88 1yjx n GLY 12 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1yjx n GLU 13 N -0.37 1.23 -3.66 1.61 2.13 -1.26 -4.86 120.64 115.45 1yjx n GLU 13 Ca 0.00 0.44 -0.21 0.00 0.66 0.00 0.00 57.16 58.05 1yjx n GLU 13 Cb 0.00 -2.00 -0.04 0.00 0.27 0.00 0.00 31.44 29.68 1yjx n GLU 13 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1yjx s SER 14 N 0.18 5.05 0.25 4.31 1.04 -1.26 -0.73 113.70 122.54 1yjx s SER 14 Ca 0.76 -0.71 -0.03 0.00 0.48 0.00 0.00 55.95 56.45 1yjx s SER 14 Cb -0.87 -0.65 0.41 0.00 0.10 0.00 0.00 66.02 65.01 1yjx s SER 14 CO 0.50 -0.57 1.83 0.00 0.98 0.00 0.00 173.24 175.97 1yjx h ALA 15 N 1.11 1.25 0.00 5.32 0.00 -0.61 0.06 119.26 126.40 1yjx h ALA 15 Ca -0.42 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1yjx h ALA 15 Cb 1.26 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1yjx h ALA 15 CO 0.58 0.19 -0.17 -1.49 0.00 0.00 0.00 179.25 178.36 1yjx h TRP 16 N 0.90 0.00 -0.11 0.00 4.06 -1.92 -2.93 115.95 115.95 1yjx h TRP 16 Ca 0.41 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.36 1yjx h TRP 16 Cb 0.33 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.48 1yjx h TRP 16 CO -0.04 0.17 0.05 -0.91 -3.56 0.00 0.00 178.44 174.15 1yjx h ASN 17 N 0.00 0.14 0.33 -3.49 2.35 -1.24 -0.60 115.58 113.07 1yjx h ASN 17 Ca -0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1yjx h ASN 17 Cb 0.85 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.18 1yjx h ASN 17 CO 0.02 0.22 -0.00 0.00 -1.65 0.00 0.00 177.43 176.02 1yjx n LEU 18 N -4.94 0.03 -0.50 1.61 -0.00 -1.08 -1.35 117.00 110.77 1yjx n LEU 18 Ca -0.05 0.16 0.12 0.00 -0.00 0.00 0.00 56.01 56.24 1yjx n LEU 18 Cb 0.09 -0.17 0.25 0.00 -0.00 0.00 0.00 43.42 43.60 1yjx n LEU 18 CO 0.34 0.01 0.60 -0.62 -0.00 0.00 0.00 177.39 177.72 1yjx n GLU 19 N -1.15 1.39 -3.59 1.47 1.02 -0.86 -4.96 120.64 113.96 1yjx n GLU 19 Ca 0.18 -1.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.12 1yjx n GLU 19 Cb 0.19 -1.48 0.06 0.00 -0.02 0.00 0.00 31.44 30.20 1yjx n GLU 19 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1yjx n ASN 20 N 0.06 -2.72 -4.50 1.62 4.05 -0.39 -4.90 115.26 108.49 1yjx n ASN 20 Ca 0.13 -0.69 -0.26 0.00 0.45 0.00 0.00 54.58 54.22 1yjx n ASN 20 Cb 0.43 -4.64 -0.10 0.00 1.23 0.00 0.00 39.78 36.70 1yjx n ASN 20 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 1yjx s ARG 21 N -5.84 1.78 -0.06 1.20 0.52 -0.37 -0.83 118.95 115.34 1yjx s ARG 21 Ca 0.16 -1.51 -0.30 0.00 -0.52 0.00 0.00 55.73 53.56 1yjx s ARG 21 Cb -0.08 -1.94 -0.02 0.00 0.52 0.00 0.00 34.95 33.43 1yjx s ARG 21 CO 0.77 0.39 1.08 -0.06 0.02 0.00 0.00 175.30 177.49 1yjx s PHE 22 N -1.97 3.43 -0.21 -0.53 0.08 -0.60 -4.62 117.98 113.57 1yjx s PHE 22 Ca 0.25 1.47 -0.16 0.00 0.12 0.00 0.00 56.93 58.62 1yjx s PHE 22 Cb -0.07 -3.27 -0.10 0.00 -0.57 0.00 0.00 43.02 39.01 1yjx s PHE 22 CO 0.14 -0.61 -0.22 0.43 -0.10 0.00 0.00 175.22 174.86 1yjx n SER 23 N 4.82 1.91 0.00 1.36 7.64 -1.26 0.37 113.62 128.46 1yjx n SER 23 Ca 0.09 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1yjx n SER 23 Cb 0.48 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1yjx n SER 23 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yjx n GLY 24 N 1.42 4.22 0.21 0.23 0.00 -1.26 -0.57 105.19 109.44 1yjx n GLY 24 Ca -0.28 0.10 0.14 0.00 0.00 0.00 0.00 46.02 45.97 1yjx n GLY 24 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1yjx n TRP 25 N 13.99 0.00 -1.87 1.61 7.02 -1.26 -4.55 117.44 132.38 1yjx n TRP 25 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 1yjx n TRP 25 Cb 0.00 -0.10 -0.02 0.00 -2.42 0.00 0.00 31.31 28.76 1yjx n TRP 25 CO 0.00 0.00 0.00 -0.47 -2.02 0.00 0.00 177.69 175.20 1yjx s TYR 26 N -2.29 2.93 -0.98 -5.99 5.04 0.27 -4.84 117.35 111.48 1yjx s TYR 26 Ca 0.33 0.72 -0.08 0.00 -2.44 0.00 0.00 57.07 55.60 1yjx s TYR 26 Cb 0.20 -3.98 -0.15 0.00 0.35 0.00 0.00 41.96 38.38 1yjx s TYR 26 CO 0.43 -3.45 3.10 -3.47 -1.34 0.00 0.00 175.55 170.82 1yjx n ASP 27 N 3.03 7.14 -4.77 4.32 2.03 -1.26 -4.94 116.55 122.10 1yjx n ASP 27 Ca 0.11 -2.50 -0.39 0.00 0.52 0.00 0.00 54.79 52.52 1yjx n ASP 27 Cb 0.38 -1.45 -0.01 0.00 -0.72 0.00 0.00 41.12 39.32 1yjx n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1yjx s ALA 28 N 1.85 3.26 0.59 -1.67 0.00 -1.26 -4.72 121.76 119.80 1yjx s ALA 28 Ca 0.66 1.21 -0.02 0.00 0.00 0.00 0.00 51.96 53.80 1yjx s ALA 28 Cb 0.22 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.90 1yjx s ALA 28 CO -0.04 -0.79 0.85 0.34 0.00 0.00 0.00 175.76 176.12 1yjx s ASP 29 N -0.77 5.29 0.54 0.00 -1.08 -1.26 -3.36 116.67 116.04 1yjx s ASP 29 Ca 0.57 0.31 -0.19 0.00 -0.52 0.00 0.00 52.55 52.71 1yjx s ASP 29 Cb -0.37 -1.20 -0.06 0.00 -1.46 0.00 0.00 42.92 39.82 1yjx s ASP 29 CO 0.48 -1.19 1.11 -0.76 0.52 0.00 0.00 175.17 175.34 1yjx s LEU 30 N -4.91 3.73 0.57 -1.34 1.43 -1.26 0.03 118.68 116.93 1yjx s LEU 30 Ca 0.56 2.12 -0.05 0.00 -1.03 0.00 0.00 54.13 55.74 1yjx s LEU 30 Cb -0.10 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.55 1yjx s LEU 30 CO 0.41 -1.19 0.86 -0.94 0.23 0.00 0.00 176.35 175.73 1yjx s SER 31 N -1.87 5.60 0.24 2.29 1.04 0.09 -4.41 113.70 116.69 1yjx s SER 31 Ca 0.71 0.60 -0.04 0.00 0.48 0.00 0.00 55.95 57.71 1yjx s SER 31 Cb -0.22 -1.63 0.46 0.00 0.10 0.00 0.00 66.02 64.72 1yjx s SER 31 CO 0.27 -1.02 1.73 -0.65 0.98 0.00 0.00 173.24 174.55 1yjx h PRO 32 N -0.07 0.42 -0.41 4.02 0.11 -1.96 0.72 132.00 134.83 1yjx h PRO 32 Ca -0.45 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1yjx h PRO 32 Cb 1.26 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 1yjx h PRO 32 CO 0.60 0.28 0.25 0.00 -0.21 0.00 0.00 178.00 178.92 1yjx h ALA 33 N 1.55 0.52 -0.63 -0.75 0.00 -1.93 -0.21 119.26 117.82 1yjx h ALA 33 Ca 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1yjx h ALA 33 Cb 0.63 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1yjx h ALA 33 CO -0.41 -0.06 0.41 0.78 0.00 0.00 0.00 179.25 179.97 1yjx h GLY 34 N 0.52 0.90 0.84 0.00 0.00 -1.10 0.66 103.07 104.89 1yjx h GLY 34 Ca 0.16 -0.34 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1yjx h GLY 34 CO -0.06 0.34 0.01 0.84 0.00 0.00 0.00 176.54 177.66 1yjx h HIS 35 N 0.86 0.44 -0.81 5.60 6.17 -0.33 -2.33 115.15 124.75 1yjx h HIS 35 Ca 0.23 -0.07 0.04 0.00 0.71 0.00 0.00 60.37 61.28 1yjx h HIS 35 Cb -0.08 -0.12 -0.05 0.00 2.52 0.00 0.00 27.41 29.69 1yjx h HIS 35 CO 0.00 0.57 0.53 1.49 0.71 0.00 0.00 177.93 181.23 1yjx h GLU 36 N 0.19 0.94 -0.01 5.26 4.57 -0.12 -0.75 114.58 124.65 1yjx h GLU 36 Ca 0.07 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1yjx h GLU 36 Cb 0.39 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1yjx h GLU 36 CO 0.01 0.62 -0.02 0.93 -1.18 0.00 0.00 179.01 179.37 1yjx h GLU 37 N 0.96 -0.03 -0.62 1.92 5.08 -0.57 0.85 114.58 122.18 1yjx h GLU 37 Ca 0.33 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.74 1yjx h GLU 37 Cb 0.10 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.30 1yjx h GLU 37 CO -0.10 -0.02 0.34 0.00 -1.00 0.00 0.00 179.01 178.23 1yjx h ALA 38 N 0.98 0.81 -0.40 3.43 0.00 -0.81 0.29 119.26 123.56 1yjx h ALA 38 Ca 0.01 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1yjx h ALA 38 Cb 0.05 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1yjx h ALA 38 CO -0.03 0.02 0.17 -0.22 0.00 0.00 0.00 179.25 179.19 1yjx h LYS 39 N 0.64 0.34 -0.11 0.00 3.64 -0.58 1.14 116.57 121.64 1yjx h LYS 39 Ca 0.27 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1yjx h LYS 39 Cb 0.15 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1yjx h LYS 39 CO -0.17 0.22 0.00 0.00 -2.27 0.00 0.00 179.45 177.24 1yjx h ARG 40 N 0.35 0.19 0.00 1.90 3.08 -0.07 0.19 114.38 120.01 1yjx h ARG 40 Ca 0.18 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1yjx h ARG 40 Cb 0.13 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1yjx h ARG 40 CO -0.16 0.44 -0.06 0.78 -1.07 0.00 0.00 179.97 179.89 1yjx h GLY 41 N -0.07 0.00 0.93 0.04 0.00 -0.06 -0.78 103.07 103.14 1yjx h GLY 41 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 1yjx h GLY 41 CO 0.01 0.00 -0.23 -1.33 0.00 0.00 0.00 176.54 174.98 1yjx h GLY 42 N 0.22 0.71 0.57 4.60 0.00 0.22 -3.08 103.07 106.31 1yjx h GLY 42 Ca -0.00 -0.70 0.03 0.00 0.00 0.00 0.00 47.33 46.66 1yjx h GLY 42 CO 0.01 0.64 -0.13 -1.61 0.00 0.00 0.00 176.54 175.45 1yjx h GLN 43 N 0.39 -0.17 -0.68 4.80 5.75 0.75 -2.49 115.11 123.45 1yjx h GLN 43 Ca 0.05 0.01 0.13 0.00 -0.15 0.00 0.00 58.65 58.69 1yjx h GLN 43 Cb 0.79 0.04 -0.13 0.00 1.07 0.00 0.00 27.48 29.25 1yjx h GLN 43 CO 0.06 -0.11 -0.26 0.00 -2.65 0.00 0.00 178.83 175.86 1yjx h ALA 44 N 0.85 0.22 -0.88 3.38 0.00 -1.27 0.36 119.26 121.93 1yjx h ALA 44 Ca 0.07 0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.22 1yjx h ALA 44 Cb 0.28 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1yjx h ALA 44 CO -0.19 -0.55 0.58 -0.07 0.00 0.00 0.00 179.25 179.03 1yjx h LEU 45 N -0.08 1.02 -0.40 0.00 3.38 -1.42 0.40 115.31 118.21 1yjx h LEU 45 Ca 0.30 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1yjx h LEU 45 Cb 0.55 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1yjx h LEU 45 CO -0.73 0.74 0.17 -0.09 0.09 0.00 0.00 178.44 178.62 1yjx h ARG 46 N 1.20 0.59 -0.43 1.13 1.12 0.03 -0.13 114.38 117.89 1yjx h ARG 46 Ca 0.32 -0.10 -0.11 0.00 -1.11 0.00 0.00 59.98 58.98 1yjx h ARG 46 Cb -0.13 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 29.71 1yjx h ARG 46 CO -0.07 0.54 -0.17 -0.44 -3.11 0.00 0.00 179.97 176.73 1yjx h ASP 47 N 0.51 0.83 0.27 -3.80 3.32 -0.35 -1.59 116.42 115.60 1yjx h ASP 47 Ca 0.14 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1yjx h ASP 47 Cb 0.16 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1yjx h ASP 47 CO -0.01 0.99 0.00 0.00 -1.72 0.00 0.00 179.24 178.50 1yjx n ALA 48 N -2.50 2.42 -3.50 3.45 0.00 0.09 -4.90 120.51 115.57 1yjx n ALA 48 Ca 0.01 -0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.06 1yjx n ALA 48 Cb 0.41 -1.44 0.07 0.00 0.00 0.00 0.00 19.45 18.49 1yjx n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yjx n GLY 49 N 0.86 -0.55 3.78 0.00 0.00 -0.19 -4.97 105.19 104.12 1yjx n GLY 49 Ca 0.16 0.24 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 1yjx n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yjx s TYR 50 N -3.30 3.20 -0.03 1.61 1.51 -0.42 -5.03 117.35 114.89 1yjx s TYR 50 Ca 0.54 1.62 0.03 0.00 -1.01 0.00 0.00 57.07 58.25 1yjx s TYR 50 Cb -0.24 -3.14 -0.00 0.00 -0.11 0.00 0.00 41.96 38.47 1yjx s TYR 50 CO 0.67 -0.74 -0.11 -1.21 -1.11 0.00 0.00 175.55 173.05 1yjx s GLU 51 N -2.60 1.14 0.34 -0.62 2.02 -1.26 -4.87 118.70 112.84 1yjx s GLU 51 Ca 0.59 -0.39 0.08 0.00 0.02 0.00 0.00 54.97 55.28 1yjx s GLU 51 Cb -0.22 -1.04 -0.07 0.00 0.10 0.00 0.00 34.13 32.90 1yjx s GLU 51 CO 0.27 0.16 -0.07 -0.06 0.02 0.00 0.00 175.26 175.59 1yjx s PHE 52 N 0.09 2.31 -0.00 1.61 0.40 -1.26 -4.78 117.98 116.34 1yjx s PHE 52 Ca -0.02 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 55.74 1yjx s PHE 52 Cb -0.09 -1.37 -0.01 0.00 0.51 0.00 0.00 43.02 42.06 1yjx s PHE 52 CO 0.01 0.48 0.02 -0.25 0.70 0.00 0.00 175.22 176.17 1yjx n ASP 53 N -0.77 4.78 -3.63 1.36 8.00 0.03 -4.91 116.55 121.42 1yjx n ASP 53 Ca -0.05 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.30 1yjx n ASP 53 Cb 0.64 0.88 -0.07 0.00 -0.02 0.00 0.00 41.12 42.55 1yjx n ASP 53 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1yjx s ILE 54 N -2.05 0.01 0.06 0.53 2.07 -1.24 -4.26 121.20 116.33 1yjx s ILE 54 Ca -0.00 -0.11 0.08 0.00 -1.41 0.00 0.00 60.65 59.21 1yjx s ILE 54 Cb 0.00 -0.85 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 1yjx s ILE 54 CO 0.04 -0.06 -0.22 0.00 -1.91 0.00 0.00 174.94 172.78 1yjx s PHE 56 N -0.89 1.40 0.31 0.00 0.40 -0.62 -0.03 117.98 118.55 1yjx s PHE 56 Ca 0.09 -0.38 -0.05 0.00 -0.60 0.00 0.00 56.93 55.99 1yjx s PHE 56 Cb -0.09 -0.96 -0.00 0.00 0.51 0.00 0.00 43.02 42.48 1yjx s PHE 56 CO 0.03 -0.13 0.46 -0.08 0.70 0.00 0.00 175.22 176.20 1yjx s THR 57 N 0.06 0.00 0.00 0.64 -1.32 -0.33 -1.37 115.64 113.32 1yjx s THR 57 Ca -0.03 -1.56 0.00 0.00 -1.21 0.00 0.00 61.69 58.89 1yjx s THR 57 Cb -0.10 -2.54 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 1yjx s THR 57 CO 0.01 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 170.88 1yjx n SER 58 N -1.10 0.00 -1.14 8.08 3.41 -1.25 -1.17 113.62 120.46 1yjx n SER 58 Ca 0.00 -0.53 -0.00 0.00 -0.26 0.00 0.00 58.87 58.08 1yjx n SER 58 Cb 0.62 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.79 1yjx n SER 58 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1yjx n VAL 59 N -0.97 2.50 -4.53 -3.33 0.24 -1.23 -3.97 118.33 107.04 1yjx n VAL 59 Ca 0.00 -2.31 -0.33 0.00 -2.04 0.00 0.00 64.34 59.66 1yjx n VAL 59 Cb 0.00 -0.30 -0.14 0.00 -1.47 0.00 0.00 33.84 31.93 1yjx n VAL 59 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1yjx s GLN 60 N -3.07 3.44 0.09 7.34 -0.21 -1.26 -5.05 119.66 120.94 1yjx s GLN 60 Ca 0.45 -0.64 -0.17 0.00 0.02 0.00 0.00 55.36 55.02 1yjx s GLN 60 Cb 0.39 -2.76 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 1yjx s GLN 60 CO 0.05 0.14 1.08 1.63 -2.12 0.00 0.00 175.29 176.07 1yjx n LYS 61 N 3.77 -0.24 -0.36 2.91 5.02 -1.26 -1.10 118.16 126.90 1yjx n LYS 61 Ca -0.18 1.07 0.27 0.00 -2.02 0.00 0.00 58.31 57.45 1yjx n LYS 61 Cb 0.52 -1.58 0.54 0.00 -0.02 0.00 0.00 35.03 34.50 1yjx n LYS 61 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1yjx h ARG 62 N 0.00 0.29 0.00 1.97 0.11 -1.87 0.96 114.38 115.83 1yjx h ARG 62 Ca 0.09 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.13 1yjx h ARG 62 Cb 0.22 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.23 1yjx h ARG 62 CO -0.51 0.19 -0.09 0.00 0.10 0.00 0.00 179.97 179.67 1yjx h ALA 63 N 1.64 0.02 -0.38 0.08 0.00 -1.43 -2.89 119.26 116.30 1yjx h ALA 63 Ca 0.67 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1yjx h ALA 63 Cb 1.83 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.62 1yjx h ALA 63 CO -0.36 0.05 0.02 0.82 0.00 0.00 0.00 179.25 179.78 1yjx h ILE 64 N -1.00 0.75 -0.34 0.00 2.04 -0.08 0.90 117.51 119.78 1yjx h ILE 64 Ca -0.02 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1yjx h ILE 64 Cb 0.86 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 1yjx h ILE 64 CO -0.01 0.02 0.10 -0.09 0.00 0.00 0.00 178.15 178.17 1yjx h ARG 65 N 0.13 0.49 -0.29 2.37 2.43 0.76 0.79 114.38 121.06 1yjx h ARG 65 Ca 0.18 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1yjx h ARG 65 Cb 0.25 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1yjx h ARG 65 CO -0.29 0.44 0.10 1.15 -1.51 0.00 0.00 179.97 179.86 1yjx h THR 66 N 0.48 1.19 0.09 0.20 2.02 -0.90 -0.15 112.91 115.85 1yjx h THR 66 Ca 0.12 -0.60 0.02 0.00 0.77 0.00 0.00 66.41 66.71 1yjx h THR 66 Cb 0.16 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1yjx h THR 66 CO -0.01 0.20 -0.19 0.25 0.37 0.00 0.00 175.52 176.15 1yjx h LEU 67 N 0.31 -0.52 -0.35 2.58 6.46 0.32 -0.96 115.31 123.14 1yjx h LEU 67 Ca 0.09 0.06 0.07 0.00 -0.12 0.00 0.00 57.88 57.99 1yjx h LEU 67 Cb 0.22 0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 40.28 1yjx h LEU 67 CO -0.00 -0.26 -0.11 -0.50 -0.62 0.00 0.00 178.44 176.94 1yjx h TRP 68 N -0.35 -0.24 -0.68 1.25 4.06 -0.72 0.13 115.95 119.40 1yjx h TRP 68 Ca 0.03 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.06 1yjx h TRP 68 Cb 0.38 0.16 -0.05 0.00 -1.00 0.00 0.00 29.16 28.65 1yjx h TRP 68 CO -0.19 -0.18 0.40 1.15 -3.56 0.00 0.00 178.44 176.06 1yjx h THR 69 N -0.03 1.02 0.27 1.49 2.02 -0.67 0.57 112.91 117.58 1yjx h THR 69 Ca 0.17 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1yjx h THR 69 Cb 0.29 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 1yjx h THR 69 CO -0.38 0.14 -0.13 0.58 0.37 0.00 0.00 175.52 176.10 1yjx h VAL 70 N 0.76 0.78 -0.88 3.16 2.07 -0.21 -0.55 116.25 121.37 1yjx h VAL 70 Ca 0.29 -0.37 0.13 0.00 0.82 0.00 0.00 66.70 67.58 1yjx h VAL 70 Cb 0.12 0.99 -0.09 0.00 -1.52 0.00 0.00 31.29 30.79 1yjx h VAL 70 CO -0.15 0.08 0.49 -0.07 0.02 0.00 0.00 177.57 177.94 1yjx h LEU 71 N -0.55 0.66 -0.27 2.57 3.38 -0.52 -0.07 115.31 120.51 1yjx h LEU 71 Ca -0.04 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1yjx h LEU 71 Cb 0.40 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1yjx h LEU 71 CO 0.06 0.32 0.13 -0.78 0.09 0.00 0.00 178.44 178.26 1yjx h ASP 72 N 0.75 0.36 -0.95 -0.43 -0.00 -0.71 0.28 116.42 115.73 1yjx h ASP 72 Ca 0.46 -0.13 0.03 0.00 -0.00 0.00 0.00 57.03 57.39 1yjx h ASP 72 Cb 0.56 -0.09 -0.05 0.00 -0.00 0.00 0.00 39.33 39.74 1yjx h ASP 72 CO -0.31 0.39 0.62 0.00 -0.00 0.00 0.00 179.24 179.93 1yjx h ALA 73 N 0.99 1.25 -0.47 -0.78 0.00 0.49 -2.38 119.26 118.36 1yjx h ALA 73 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1yjx h ALA 73 Cb 0.12 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1yjx h ALA 73 CO -0.01 0.51 0.00 0.44 0.00 0.00 0.00 179.25 180.19 1yjx n ILE 74 N -4.47 2.12 -3.97 0.00 -5.35 -0.20 -4.81 119.36 102.68 1yjx n ILE 74 Ca 0.12 -1.09 -0.34 0.00 -0.27 0.00 0.00 62.75 61.17 1yjx n ILE 74 Cb 0.08 -0.28 -0.00 0.00 -1.74 0.00 0.00 39.64 37.69 1yjx n ILE 74 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1yjx n ASP 75 N 0.54 -2.65 -2.73 7.28 4.64 -0.77 -4.90 116.55 117.95 1yjx n ASP 75 Ca 0.22 -1.14 0.00 0.00 -1.38 0.00 0.00 54.79 52.49 1yjx n ASP 75 Cb 0.98 -2.53 0.05 0.00 -1.04 0.00 0.00 41.12 38.58 1yjx n ASP 75 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1yjx n GLN 76 N -4.56 1.59 0.21 -0.67 6.02 0.02 -4.87 117.38 115.12 1yjx n GLN 76 Ca -0.19 -3.34 0.15 0.00 -0.01 0.00 0.00 57.00 53.61 1yjx n GLN 76 Cb 0.63 -1.44 0.70 0.00 1.02 0.00 0.00 30.24 31.15 1yjx n GLN 76 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1yjx h MET 77 N 2.45 0.00 -0.00 -1.09 2.86 -1.91 -1.84 114.93 115.40 1yjx h MET 77 Ca -0.16 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1yjx h MET 77 Cb 1.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.98 1yjx h MET 77 CO 0.16 0.00 -0.05 -2.67 1.06 0.00 0.00 176.91 175.42 1yjx n TRP 78 N -2.57 0.00 -1.91 -0.22 4.27 -1.26 -4.88 117.44 110.87 1yjx n TRP 78 Ca -0.00 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.22 1yjx n TRP 78 Cb 0.16 -0.38 0.02 0.00 -1.36 0.00 0.00 31.31 29.75 1yjx n TRP 78 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 1yjx s LEU 79 N -2.81 3.96 0.28 5.67 1.43 -0.69 -4.95 118.68 121.57 1yjx s LEU 79 Ca 0.20 2.68 -0.29 0.00 -1.03 0.00 0.00 54.13 55.69 1yjx s LEU 79 Cb 0.19 -4.17 -0.09 0.00 0.03 0.00 0.00 46.19 42.15 1yjx s LEU 79 CO 0.51 -1.30 1.08 -2.16 0.23 0.00 0.00 176.35 174.72 1yjx s PRO 80 N -2.72 4.63 0.01 1.29 0.04 -1.26 -4.91 135.00 132.09 1yjx s PRO 80 Ca 0.67 1.76 0.06 0.00 0.04 0.00 0.00 61.00 63.52 1yjx s PRO 80 Cb -0.38 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 30.98 1yjx s PRO 80 CO 0.47 0.22 -0.18 0.14 0.04 0.00 0.00 177.00 177.69 1yjx s VAL 81 N -1.19 1.39 -0.13 -0.36 -7.23 -1.26 -1.23 120.40 110.39 1yjx s VAL 81 Ca 0.45 -0.90 0.03 0.00 -1.81 0.00 0.00 61.98 59.74 1yjx s VAL 81 Cb -0.31 -1.19 0.01 0.00 0.56 0.00 0.00 36.38 35.45 1yjx s VAL 81 CO 0.40 0.27 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.55 1yjx s VAL 82 N -0.59 1.99 -0.01 1.32 1.01 0.96 -4.95 120.40 120.13 1yjx s VAL 82 Ca 0.06 -0.95 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 1yjx s VAL 82 Cb -0.07 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1yjx s VAL 82 CO 0.00 0.54 0.13 -0.13 0.00 0.00 0.00 175.10 175.64 1yjx s ARG 83 N 0.72 3.24 -0.22 2.72 0.52 -1.26 -1.18 118.95 123.50 1yjx s ARG 83 Ca -0.10 -0.41 -0.18 0.00 -0.52 0.00 0.00 55.73 54.53 1yjx s ARG 83 Cb -0.16 -2.97 0.06 0.00 0.52 0.00 0.00 34.95 32.40 1yjx s ARG 83 CO 0.01 0.66 0.57 -0.08 0.02 0.00 0.00 175.30 176.48 1yjx s THR 84 N -1.25 -0.00 0.34 0.02 -1.32 -0.32 -4.95 115.64 108.16 1yjx s THR 84 Ca 0.25 0.01 0.35 0.00 -1.21 0.00 0.00 61.69 61.09 1yjx s THR 84 Cb -0.12 -0.80 0.38 0.00 -1.51 0.00 0.00 72.50 70.45 1yjx s THR 84 CO 0.16 0.01 2.11 4.11 -2.21 0.00 0.00 174.62 178.80 1yjx h TRP 85 N 5.75 0.00 0.00 9.09 5.08 -1.89 -2.48 115.95 131.51 1yjx h TRP 85 Ca -0.29 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.68 1yjx h TRP 85 Cb 1.18 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.34 1yjx h TRP 85 CO 0.32 0.04 0.00 0.54 -1.28 0.00 0.00 178.44 178.06 1yjx n ARG 86 N -3.22 0.15 -0.20 0.12 1.74 -1.26 -0.39 116.66 113.60 1yjx n ARG 86 Ca -0.01 0.53 0.10 0.00 -0.77 0.00 0.00 57.85 57.70 1yjx n ARG 86 Cb 0.23 -1.89 0.20 0.00 -1.02 0.00 0.00 32.46 29.98 1yjx n ARG 86 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1yjx n LEU 87 N -2.19 3.29 -4.59 0.55 4.77 -0.94 -4.19 117.00 113.70 1yjx n LEU 87 Ca 0.00 -1.64 -0.31 0.00 -0.03 0.00 0.00 56.01 54.03 1yjx n LEU 87 Cb 0.12 -0.26 0.18 0.00 -2.33 0.00 0.00 43.42 41.12 1yjx n LEU 87 CO 0.13 0.75 0.51 0.59 -1.33 0.00 0.00 177.39 178.04 1yjx n ASN 88 N 1.23 -0.41 -4.75 -1.43 4.13 0.48 -4.17 115.26 110.33 1yjx n ASN 88 Ca 0.17 0.29 -0.31 0.00 1.68 0.00 0.00 54.58 56.41 1yjx n ASN 88 Cb 0.54 -1.39 0.10 0.00 -1.54 0.00 0.00 39.78 37.49 1yjx n ASN 88 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1yjx s GLU 89 N -4.43 2.10 0.28 3.52 2.56 -1.26 -4.30 118.70 117.16 1yjx s GLU 89 Ca 0.66 1.28 -0.30 0.00 0.00 0.00 0.00 54.97 56.60 1yjx s GLU 89 Cb -0.23 -1.87 -0.10 0.00 2.00 0.00 0.00 34.13 33.92 1yjx s GLU 89 CO 0.61 -1.77 1.47 0.50 -0.56 0.00 0.00 175.26 175.50 1yjx s ARG 90 N -4.74 4.23 -0.08 4.30 3.52 -1.26 -4.61 118.95 120.30 1yjx s ARG 90 Ca 0.63 2.38 -0.30 0.00 -0.13 0.00 0.00 55.73 58.32 1yjx s ARG 90 Cb -0.19 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 1yjx s ARG 90 CO 0.54 -0.46 1.46 -1.58 -0.81 0.00 0.00 175.30 174.45 1yjx s HIS 91 N -0.19 2.50 -0.88 5.12 5.65 -1.26 -4.22 115.29 122.02 1yjx s HIS 91 Ca 0.59 0.63 0.08 0.00 0.25 0.00 0.00 55.06 56.61 1yjx s HIS 91 Cb -0.43 -3.71 0.41 0.00 -1.18 0.00 0.00 32.58 27.67 1yjx s HIS 91 CO 0.47 -2.76 1.18 0.66 -0.65 0.00 0.00 174.74 173.64 1yjx n TYR 92 N 6.48 0.98 -1.13 3.88 4.01 -1.26 -1.03 117.16 129.10 1yjx n TYR 92 Ca 0.15 -0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.53 1yjx n TYR 92 Cb 0.44 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1yjx n TYR 92 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yjx n GLY 93 N 0.48 1.44 0.35 2.72 0.00 -1.25 -1.63 105.19 107.30 1yjx n GLY 93 Ca 0.14 -0.37 0.18 0.00 0.00 0.00 0.00 46.02 45.97 1yjx n GLY 93 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1yjx h GLY 94 N 0.00 0.00 2.00 -0.02 0.00 -0.78 0.24 103.07 104.51 1yjx h GLY 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1yjx h GLY 94 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.95 1yjx h LEU 95 N 0.00 0.00 -9.31 3.11 3.38 -1.53 -3.44 115.31 107.52 1yjx h LEU 95 Ca 0.07 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.39 1yjx h LEU 95 Cb 0.61 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.40 1yjx h LEU 95 CO -0.00 0.00 0.74 0.41 0.09 0.00 0.00 178.44 179.68 1yjx n THR 96 N -2.80 0.15 0.00 0.22 -1.04 0.07 -1.02 114.28 109.87 1yjx n THR 96 Ca 0.00 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1yjx n THR 96 Cb 0.23 -1.26 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 1yjx n THR 96 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yjx n GLY 97 N 3.39 3.10 3.78 3.41 0.00 0.16 -4.89 105.19 114.13 1yjx n GLY 97 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 1yjx n GLY 97 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yjx s LEU 98 N 0.00 3.61 -0.01 0.99 1.43 -0.19 -4.61 118.68 119.90 1yjx s LEU 98 Ca 0.00 2.03 -0.30 0.00 -1.03 0.00 0.00 54.13 54.83 1yjx s LEU 98 Cb 0.00 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.63 1yjx s LEU 98 CO 0.00 -1.29 1.03 0.21 0.23 0.00 0.00 176.35 176.53 1yjx s ASN 99 N -2.21 7.29 0.20 2.29 3.84 -1.26 -1.56 114.94 123.53 1yjx s ASN 99 Ca 0.69 1.71 -0.11 0.00 0.21 0.00 0.00 52.86 55.36 1yjx s ASN 99 Cb -0.21 -2.57 0.19 0.00 -0.55 0.00 0.00 41.25 38.11 1yjx s ASN 99 CO 0.32 -0.33 1.81 0.11 -2.79 0.00 0.00 177.10 176.22 1yjx h LYS 100 N 6.87 0.66 -0.33 0.43 1.57 -1.33 -0.28 116.57 124.15 1yjx h LYS 100 Ca -0.39 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1yjx h LYS 100 Cb 1.21 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1yjx h LYS 100 CO 0.78 0.43 0.20 0.00 -0.57 0.00 0.00 179.45 180.29 1yjx h ALA 101 N 1.30 0.43 -0.61 3.86 0.00 -1.93 -0.94 119.26 121.37 1yjx h ALA 101 Ca 0.26 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1yjx h ALA 101 Cb 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1yjx h ALA 101 CO -0.15 -0.07 0.08 0.93 0.00 0.00 0.00 179.25 180.05 1yjx h GLU 102 N 0.43 1.02 -0.98 0.00 5.08 -1.88 -1.37 114.58 116.88 1yjx h GLU 102 Ca 0.12 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1yjx h GLU 102 Cb 0.02 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 1yjx h GLU 102 CO -0.02 0.96 0.62 1.15 -1.00 0.00 0.00 179.01 180.73 1yjx h THR 103 N 0.93 1.26 -0.57 1.13 2.02 -0.75 0.77 112.91 117.69 1yjx h THR 103 Ca 0.18 -0.51 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1yjx h THR 103 Cb 0.45 -0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 1yjx h THR 103 CO 0.01 0.26 0.03 0.00 0.37 0.00 0.00 175.52 176.19 1yjx h ALA 104 N 1.34 0.97 -0.45 6.16 0.00 -0.83 0.29 119.26 126.73 1yjx h ALA 104 Ca 0.35 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1yjx h ALA 104 Cb -0.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1yjx h ALA 104 CO -0.07 0.63 -0.06 0.00 0.00 0.00 0.00 179.25 179.75 1yjx h ALA 105 N 1.13 1.05 0.15 0.00 0.00 -0.09 5.44 119.26 126.94 1yjx h ALA 105 Ca 0.17 -0.29 -0.25 0.00 0.00 0.00 0.00 54.91 54.54 1yjx h ALA 105 Cb 0.48 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 18.12 1yjx h ALA 105 CO 0.02 0.59 -1.06 1.57 0.00 0.00 0.00 179.25 180.36 1yjx h LYS 106 N 0.72 0.46 -0.01 0.00 -0.00 -0.60 -3.37 116.57 113.76 1yjx h LYS 106 Ca 0.13 -0.69 0.00 0.00 -0.00 0.00 0.00 60.65 60.09 1yjx h LYS 106 Cb 0.52 0.24 0.00 0.00 -0.00 0.00 0.00 32.23 33.00 1yjx h LYS 106 CO 0.03 1.31 -0.25 0.72 -0.00 0.00 0.00 179.45 181.26 1yjx n HIS 107 N -3.95 0.00 0.00 0.07 8.25 0.98 -5.10 115.22 115.47 1yjx n HIS 107 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1yjx n HIS 107 Cb 0.92 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.03 1yjx n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1yjx n GLY 108 N 1.10 -2.59 0.30 -1.41 0.00 1.77 -4.09 105.19 100.28 1yjx n GLY 108 Ca 0.07 -1.41 -0.04 0.00 0.00 0.00 0.00 46.02 44.64 1yjx n GLY 108 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1yjx h GLU 109 N 0.00 1.03 0.27 1.61 4.57 -1.94 -2.58 114.58 117.55 1yjx h GLU 109 Ca 0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1yjx h GLU 109 Cb 0.00 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.34 1yjx h GLU 109 CO 0.00 0.70 -0.30 0.00 -1.18 0.00 0.00 179.01 178.22 1yjx h ALA 110 N 1.27 -0.62 -0.27 2.92 0.00 -1.94 0.23 119.26 120.85 1yjx h ALA 110 Ca 0.28 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1yjx h ALA 110 Cb -0.10 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1yjx h ALA 110 CO -0.06 -0.89 0.12 0.37 0.00 0.00 0.00 179.25 178.79 1yjx h GLN 111 N -0.62 0.25 -0.84 0.00 5.75 -1.70 -0.64 115.11 117.31 1yjx h GLN 111 Ca -0.01 -0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.58 1yjx h GLN 111 Cb 0.58 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 29.01 1yjx h GLN 111 CO -0.08 0.17 0.55 0.28 -2.65 0.00 0.00 178.83 177.09 1yjx h VAL 112 N 0.26 0.95 -0.38 2.39 2.07 -1.21 0.51 116.25 120.84 1yjx h VAL 112 Ca 0.11 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1yjx h VAL 112 Cb 0.05 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1yjx h VAL 112 CO -0.09 0.14 0.22 0.50 0.02 0.00 0.00 177.57 178.37 1yjx h LYS 113 N 0.79 0.53 0.37 1.57 3.64 0.87 0.18 116.57 124.52 1yjx h LYS 113 Ca 0.39 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1yjx h LYS 113 Cb 0.45 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1yjx h LYS 113 CO -0.16 0.41 -0.32 0.82 -2.27 0.00 0.00 179.45 177.94 1yjx h ILE 114 N 0.49 0.00 -0.67 2.00 1.08 0.35 0.37 117.51 121.13 1yjx h ILE 114 Ca 0.14 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.80 1yjx h ILE 114 Cb 0.03 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 33.75 1yjx h ILE 114 CO -0.02 0.00 0.57 -0.50 -0.69 0.00 0.00 178.15 177.51 1yjx h TRP 115 N -0.68 0.00 0.00 1.37 6.55 -1.07 -2.29 115.95 119.83 1yjx h TRP 115 Ca -0.05 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.79 1yjx h TRP 115 Cb 0.57 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.87 1yjx h TRP 115 CO -0.14 0.00 -0.21 0.00 -1.05 0.00 0.00 178.44 177.04 1yjx h ARG 116 N 0.00 0.00 0.06 0.49 -0.00 0.04 -3.43 114.38 111.53 1yjx h ARG 116 Ca 0.32 0.00 -0.34 0.00 -0.50 0.00 0.00 59.98 59.46 1yjx h ARG 116 Cb 1.46 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 31.39 1yjx h ARG 116 CO -0.00 0.00 -1.93 2.89 0.00 0.00 0.00 179.97 180.92 1yjx n ARG 117 N -3.43 0.70 -1.22 0.04 -4.01 0.12 -4.95 116.66 103.91 1yjx n ARG 117 Ca -0.03 0.25 -0.38 0.00 -1.04 0.00 0.00 57.85 56.65 1yjx n ARG 117 Cb 0.11 -1.72 0.01 0.00 -3.04 0.00 0.00 32.46 27.82 1yjx n ARG 117 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 1yjx n SER 118 N -3.24 -3.47 0.05 2.89 3.41 -0.87 -4.84 113.62 107.53 1yjx n SER 118 Ca -0.27 0.65 -0.20 0.00 -0.26 0.00 0.00 58.87 58.80 1yjx n SER 118 Cb 1.05 -0.83 -0.13 0.00 -0.26 0.00 0.00 64.21 64.05 1yjx n SER 118 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1yjx h TYR 119 N 0.03 0.74 0.00 7.33 3.20 -1.89 -3.40 116.97 122.98 1yjx h TYR 119 Ca -0.39 -0.46 0.00 0.00 3.14 0.00 0.00 58.73 61.01 1yjx h TYR 119 Cb 1.41 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.61 1yjx h TYR 119 CO 0.23 1.31 -0.03 -0.40 -1.64 0.00 0.00 178.16 177.63 1yjx n ASP 120 N -4.04 2.02 -4.35 -2.11 5.68 -1.26 -1.50 116.55 110.98 1yjx n ASP 120 Ca -0.12 -2.59 -0.43 0.00 -0.50 0.00 0.00 54.79 51.14 1yjx n ASP 120 Cb 0.83 -0.26 -0.09 0.00 -1.14 0.00 0.00 41.12 40.46 1yjx n ASP 120 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1yjx s VAL 121 N -1.99 4.84 0.56 2.12 1.01 -1.26 -4.94 120.40 120.74 1yjx s VAL 121 Ca 0.18 -1.11 -0.18 0.00 0.00 0.00 0.00 61.98 60.88 1yjx s VAL 121 Cb 0.16 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1yjx s VAL 121 CO 0.02 -0.49 1.08 -2.16 0.00 0.00 0.00 175.10 173.54 1yjx s PRO 122 N 1.57 3.38 0.98 2.72 0.04 -1.26 -4.65 135.00 137.77 1yjx s PRO 122 Ca 0.04 1.36 -0.14 0.00 0.04 0.00 0.00 61.00 62.30 1yjx s PRO 122 Cb -0.23 -2.03 0.18 0.00 0.04 0.00 0.00 34.50 32.46 1yjx s PRO 122 CO 0.05 -0.78 1.14 -1.25 0.04 0.00 0.00 177.00 176.20 1yjx s PRO 123 N -3.68 0.55 0.45 0.56 0.04 -1.26 -4.94 135.00 126.73 1yjx s PRO 123 Ca 0.67 0.20 -0.24 0.00 0.04 0.00 0.00 61.00 61.67 1yjx s PRO 123 Cb -0.18 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 1yjx s PRO 123 CO 0.31 -2.58 1.16 -2.30 0.04 0.00 0.00 177.00 173.63 1yjx n PRO 124 N -4.01 1.60 -1.70 0.56 -0.02 -1.26 -4.81 135.00 125.35 1yjx n PRO 124 Ca 0.08 0.58 -0.35 0.00 -2.02 0.00 0.00 63.50 61.79 1yjx n PRO 124 Cb 0.59 -2.26 0.07 0.00 -0.02 0.00 0.00 33.50 31.87 1yjx n PRO 124 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1yjx s PRO 125 N -2.27 2.53 -0.52 0.52 0.02 -1.26 -0.56 135.00 133.45 1yjx s PRO 125 Ca 0.64 1.81 -0.23 0.00 0.02 0.00 0.00 61.00 63.24 1yjx s PRO 125 Cb -0.51 -1.87 0.04 0.00 0.02 0.00 0.00 34.50 32.18 1yjx s PRO 125 CO 0.56 -1.55 0.88 1.41 -0.33 0.00 0.00 177.00 177.96 1yjx s MET 126 N -3.64 3.33 0.57 5.54 1.75 -0.15 -3.17 119.30 123.53 1yjx s MET 126 Ca 0.76 -0.29 -0.16 0.00 -1.25 0.00 0.00 55.69 54.75 1yjx s MET 126 Cb -0.30 -4.03 -0.05 0.00 2.84 0.00 0.00 34.83 33.28 1yjx s MET 126 CO 0.40 -1.38 1.04 -1.21 -0.65 0.00 0.00 175.02 173.22 1yjx s GLU 127 N 3.66 3.49 0.64 4.11 0.41 -1.26 -4.90 118.70 124.86 1yjx s GLU 127 Ca 0.29 1.17 0.29 0.00 -0.41 0.00 0.00 54.97 56.31 1yjx s GLU 127 Cb -0.13 -2.06 1.57 0.00 -1.78 0.00 0.00 34.13 31.73 1yjx s GLU 127 CO 0.19 -0.67 1.88 -1.35 -0.49 0.00 0.00 175.26 174.83 1yjx h PRO 128 N 0.65 0.00 -0.52 0.39 0.11 -1.99 0.34 132.00 130.98 1yjx h PRO 128 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1yjx h PRO 128 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1yjx h PRO 128 CO 0.58 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.97 1yjx n ASP 129 N -2.83 3.31 -4.76 -2.05 5.75 -1.26 -4.80 116.55 109.90 1yjx n ASP 129 Ca -0.02 -1.97 -0.41 0.00 -0.01 0.00 0.00 54.79 52.38 1yjx n ASP 129 Cb 0.38 -0.35 -0.03 0.00 -1.03 0.00 0.00 41.12 40.09 1yjx n ASP 129 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1yjx s HIS 130 N -1.31 3.29 0.60 2.11 2.46 0.12 -4.89 115.29 117.67 1yjx s HIS 130 Ca 0.41 1.52 0.28 0.00 0.47 0.00 0.00 55.06 57.74 1yjx s HIS 130 Cb 0.22 -3.50 1.31 0.00 -0.13 0.00 0.00 32.58 30.48 1yjx s HIS 130 CO 0.30 -1.29 1.71 -1.35 -2.47 0.00 0.00 174.74 171.64 1yjx h PRO 131 N 3.74 0.00 -0.05 2.88 0.11 -1.92 -0.91 132.00 135.85 1yjx h PRO 131 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1yjx h PRO 131 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1yjx h PRO 131 CO 0.67 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.65 1yjx n PHE 132 N -3.49 0.13 0.16 0.65 3.72 -1.26 -4.78 117.46 112.59 1yjx n PHE 132 Ca 0.12 -0.74 -0.15 0.00 -0.05 0.00 0.00 57.45 56.63 1yjx n PHE 132 Cb 0.90 -0.11 -0.09 0.00 -0.94 0.00 0.00 39.48 39.24 1yjx n PHE 132 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1yjx h TYR 133 N 0.35 -1.31 -0.38 1.38 3.20 -1.43 -0.95 116.97 117.82 1yjx h TYR 133 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1yjx h TYR 133 Cb 0.81 0.54 -0.02 0.00 1.54 0.00 0.00 36.73 39.61 1yjx h TYR 133 CO 0.07 -0.55 0.19 0.77 -1.64 0.00 0.00 178.16 177.00 1yjx h SER 134 N -0.74 0.50 -0.98 -2.11 0.02 -1.87 -0.05 113.55 108.32 1yjx h SER 134 Ca -0.02 -0.12 0.21 0.00 -0.84 0.00 0.00 61.79 61.02 1yjx h SER 134 Cb 0.70 -0.13 -0.11 0.00 0.14 0.00 0.00 62.40 63.00 1yjx h SER 134 CO -0.18 0.48 0.57 -1.13 -1.14 0.00 0.00 176.83 175.43 1yjx h ASN 135 N 0.48 0.68 0.00 3.07 -0.73 -1.81 -1.79 115.58 115.49 1yjx h ASN 135 Ca 0.13 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.42 1yjx h ASN 135 Cb 0.11 0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.70 1yjx h ASN 135 CO -0.02 0.18 0.00 -0.38 -0.37 0.00 0.00 177.43 176.84 1yjx n ILE 136 N -4.85 0.00 0.26 2.57 2.08 -0.38 -4.25 119.36 114.79 1yjx n ILE 136 Ca 0.24 0.23 0.12 0.00 0.56 0.00 0.00 62.75 63.90 1yjx n ILE 136 Cb 0.63 -1.07 0.63 0.00 -0.75 0.00 0.00 39.64 39.08 1yjx n ILE 136 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 1yjx h SER 137 N 0.00 0.00 -0.37 4.38 4.64 -1.13 -1.55 113.55 119.52 1yjx h SER 137 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yjx h SER 137 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1yjx h SER 137 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1yjx n LYS 138 N -2.53 2.75 -2.13 4.77 4.76 -0.67 -5.00 118.16 120.12 1yjx n LYS 138 Ca -0.02 -2.08 -0.42 0.00 -2.87 0.00 0.00 58.31 52.92 1yjx n LYS 138 Cb 0.34 -1.30 -0.03 0.00 -1.84 0.00 0.00 35.03 32.20 1yjx n LYS 138 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1yjx s ASP 139 N -1.00 6.77 0.36 4.39 3.68 -0.58 -4.87 116.67 125.42 1yjx s ASP 139 Ca 0.26 2.28 0.19 0.00 2.13 0.00 0.00 52.55 57.40 1yjx s ASP 139 Cb 0.13 -2.57 1.28 0.00 -1.45 0.00 0.00 42.92 40.31 1yjx s ASP 139 CO 0.18 -0.74 1.58 -1.14 0.13 0.00 0.00 175.17 175.17 1yjx n ARG 140 N 4.97 -0.06 -0.33 4.34 0.63 -1.26 -0.99 116.66 123.97 1yjx n ARG 140 Ca 0.13 1.39 0.29 0.00 -0.92 0.00 0.00 57.85 58.74 1yjx n ARG 140 Cb 0.42 -2.46 0.54 0.00 0.45 0.00 0.00 32.46 31.41 1yjx n ARG 140 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 1yjx h ARG 141 N 0.00 0.11 -0.46 -0.14 2.43 -1.95 0.12 114.38 114.48 1yjx h ARG 141 Ca 0.82 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.98 1yjx h ARG 141 Cb 2.12 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.65 1yjx h ARG 141 CO -0.79 0.07 0.00 0.66 -1.51 0.00 0.00 179.97 178.40 1yjx n TYR 142 N -5.19 1.51 -0.30 2.20 4.01 -0.16 -4.69 117.16 114.53 1yjx n TYR 142 Ca 0.36 -0.75 0.15 0.00 -0.16 0.00 0.00 57.90 57.49 1yjx n TYR 142 Cb 1.17 -0.38 0.40 0.00 -0.31 0.00 0.00 39.34 40.22 1yjx n TYR 142 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1yjx h ALA 143 N 3.12 1.89 -0.06 -0.72 0.00 -0.85 -1.24 119.26 121.41 1yjx h ALA 143 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1yjx h ALA 143 Cb 1.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1yjx h ALA 143 CO 0.33 -0.21 0.00 -0.25 0.00 0.00 0.00 179.25 179.13 1yjx n ASP 144 N -4.63 0.47 -4.83 0.00 8.00 -1.26 -4.83 116.55 109.47 1yjx n ASP 144 Ca 0.21 -1.64 -0.34 0.00 0.71 0.00 0.00 54.79 53.73 1yjx n ASP 144 Cb 0.60 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.59 1yjx n ASP 144 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1yjx s LEU 145 N -1.42 4.13 0.22 0.64 1.43 -0.47 -5.06 118.68 118.15 1yjx s LEU 145 Ca 0.23 1.38 -0.06 0.00 -1.03 0.00 0.00 54.13 54.65 1yjx s LEU 145 Cb 0.11 -4.00 -0.06 0.00 0.03 0.00 0.00 46.19 42.27 1yjx s LEU 145 CO 0.18 -0.16 0.48 0.42 0.23 0.00 0.00 176.35 177.50 1yjx s THR 146 N -1.87 5.06 0.26 5.49 -4.23 -1.26 -4.83 115.64 114.25 1yjx s THR 146 Ca 0.52 0.14 0.10 0.00 -1.18 0.00 0.00 61.69 61.26 1yjx s THR 146 Cb -0.12 -3.66 0.29 0.00 1.34 0.00 0.00 72.50 70.34 1yjx s THR 146 CO 0.18 -0.12 1.18 -1.84 -0.54 0.00 0.00 174.62 173.48 1yjx n GLU 147 N -0.34 -0.05 -0.05 3.99 0.00 -1.26 0.19 120.64 123.12 1yjx n GLU 147 Ca -0.01 1.07 -0.15 0.00 0.00 0.00 0.00 57.16 58.07 1yjx n GLU 147 Cb 0.53 -1.83 -0.04 0.00 0.00 0.00 0.00 31.44 30.10 1yjx n GLU 147 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1yjx h ASP 148 N 0.00 0.91 -0.14 -1.84 3.32 -2.04 -3.31 116.42 113.31 1yjx h ASP 148 Ca 0.56 -0.53 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1yjx h ASP 148 Cb 1.37 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1yjx h ASP 148 CO -0.63 1.31 0.04 1.56 -1.72 0.00 0.00 179.24 179.80 1yjx h GLN 149 N 0.59 0.23 -6.11 3.56 4.20 0.17 -3.41 115.11 114.34 1yjx h GLN 149 Ca -0.01 -0.05 -0.58 0.00 0.06 0.00 0.00 58.65 58.07 1yjx h GLN 149 Cb 1.24 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 1yjx h GLN 149 CO 0.13 0.37 1.39 -1.17 -0.67 0.00 0.00 178.83 178.89 1yjx s LEU 150 N -9.73 3.52 0.52 1.46 1.98 -0.61 -4.94 118.68 110.88 1yjx s LEU 150 Ca -0.14 1.71 -0.08 0.00 -2.89 0.00 0.00 54.13 52.73 1yjx s LEU 150 Cb 0.06 -3.52 -0.04 0.00 0.66 0.00 0.00 46.19 43.35 1yjx s LEU 150 CO 0.70 -1.81 0.87 -2.16 -1.89 0.00 0.00 176.35 172.06 1yjx s PRO 151 N 5.97 3.61 0.00 0.98 0.04 -1.26 -4.94 135.00 139.40 1yjx s PRO 151 Ca 0.92 0.44 0.10 0.00 0.04 0.00 0.00 61.00 62.50 1yjx s PRO 151 Cb -0.29 -2.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.95 1yjx s PRO 151 CO 0.35 -0.30 0.60 -1.13 0.04 0.00 0.00 177.00 176.56 1yjx n SER 152 N -2.27 1.08 0.00 6.66 3.41 -1.26 -4.97 113.62 116.26 1yjx n SER 152 Ca 0.03 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 1yjx n SER 152 Cb 0.55 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.08 1yjx n SER 152 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yjx s GLU 154 N -2.00 0.28 0.51 0.00 2.02 -0.19 -4.92 118.70 114.40 1yjx s GLU 154 Ca 0.00 -0.08 0.08 0.00 0.02 0.00 0.00 54.97 54.99 1yjx s GLU 154 Cb 0.00 0.12 0.05 0.00 0.10 0.00 0.00 34.13 34.40 1yjx s GLU 154 CO 0.00 -0.05 0.70 -1.54 0.02 0.00 0.00 175.26 174.38 1yjx s SER 155 N -0.55 5.34 0.16 -0.19 1.04 -1.26 -4.39 113.70 113.84 1yjx s SER 155 Ca -0.06 -0.56 -0.16 0.00 0.48 0.00 0.00 55.95 55.65 1yjx s SER 155 Cb -0.04 -0.26 0.05 0.00 0.10 0.00 0.00 66.02 65.87 1yjx s SER 155 CO 0.01 -1.08 1.79 0.25 0.98 0.00 0.00 173.24 175.19 1yjx h LEU 156 N 0.35 0.35 -0.85 2.42 5.85 -1.70 0.16 115.31 121.89 1yjx h LEU 156 Ca -0.36 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.45 1yjx h LEU 156 Cb 1.28 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 1yjx h LEU 156 CO 0.44 0.25 0.51 0.50 -0.34 0.00 0.00 178.44 179.80 1yjx h LYS 157 N 0.45 0.87 -0.47 1.25 3.64 -1.61 0.33 116.57 121.03 1yjx h LYS 157 Ca 0.16 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1yjx h LYS 157 Cb 0.03 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 1yjx h LYS 157 CO -0.09 0.57 0.26 -0.44 -2.27 0.00 0.00 179.45 177.48 1yjx h ASP 158 N 0.90 0.40 0.15 4.20 3.32 -1.50 0.28 116.42 124.16 1yjx h ASP 158 Ca 0.39 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.45 1yjx h ASP 158 Cb 0.26 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1yjx h ASP 158 CO -0.21 0.28 -0.07 0.74 -1.72 0.00 0.00 179.24 178.26 1yjx h THR 159 N 0.51 0.98 -0.78 0.35 2.02 0.43 -2.81 112.91 113.61 1yjx h THR 159 Ca 0.20 -0.56 0.08 0.00 0.77 0.00 0.00 66.41 66.89 1yjx h THR 159 Cb 0.07 1.32 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 1yjx h THR 159 CO -0.12 0.13 0.45 0.40 0.37 0.00 0.00 175.52 176.75 1yjx h ILE 160 N -0.47 0.95 -0.71 3.11 2.04 -0.29 -1.96 117.51 120.18 1yjx h ILE 160 Ca -0.02 -0.27 0.07 0.00 1.00 0.00 0.00 64.86 65.64 1yjx h ILE 160 Cb 0.37 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 36.48 1yjx h ILE 160 CO 0.03 0.14 0.39 0.00 0.00 0.00 0.00 178.15 178.72 1yjx h ALA 161 N 1.41 0.97 -0.24 1.87 0.00 -0.87 -2.11 119.26 120.29 1yjx h ALA 161 Ca 0.36 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1yjx h ALA 161 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1yjx h ALA 161 CO -0.21 0.05 0.00 2.89 0.00 0.00 0.00 179.25 181.97 1yjx n ARG 162 N -4.79 1.82 -0.14 0.00 -4.01 -0.80 -4.02 116.66 104.72 1yjx n ARG 162 Ca 0.10 -1.24 -0.26 0.00 -1.04 0.00 0.00 57.85 55.41 1yjx n ARG 162 Cb 0.21 -1.37 -0.10 0.00 -3.04 0.00 0.00 32.46 28.16 1yjx n ARG 162 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1yjx n ALA 163 N 0.47 1.28 -0.32 2.89 0.00 -0.83 -4.52 120.51 119.49 1yjx n ALA 163 Ca 0.15 -1.09 0.18 0.00 0.00 0.00 0.00 53.44 52.68 1yjx n ALA 163 Cb 0.34 0.08 0.38 0.00 0.00 0.00 0.00 19.45 20.25 1yjx n ALA 163 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 1yjx h LEU 164 N -0.73 0.15 0.07 0.00 -0.00 -1.54 -0.90 115.31 112.37 1yjx h LEU 164 Ca -0.67 0.21 0.02 0.00 -0.00 0.00 0.00 57.88 57.45 1yjx h LEU 164 Cb 1.68 0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 42.55 1yjx h LEU 164 CO -0.34 -0.20 -0.31 -0.65 -0.00 0.00 0.00 178.44 176.95 1yjx h PRO 165 N 0.21 -0.48 -0.76 0.17 0.11 -1.79 0.43 132.00 129.88 1yjx h PRO 165 Ca 0.64 0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.80 1yjx h PRO 165 Cb 1.41 0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.59 1yjx h PRO 165 CO -0.68 -0.32 0.50 0.35 -0.21 0.00 0.00 178.00 177.64 1yjx h PHE 166 N -0.50 0.95 0.64 0.65 3.57 -1.46 -1.74 116.94 119.05 1yjx h PHE 166 Ca 0.04 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1yjx h PHE 166 Cb 0.55 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1yjx h PHE 166 CO -0.30 0.60 -0.41 2.35 -2.23 0.00 0.00 178.31 178.32 1yjx h TRP 167 N 1.03 -1.10 0.18 0.41 2.91 0.05 -0.10 115.95 119.32 1yjx h TRP 167 Ca 0.28 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.28 1yjx h TRP 167 Cb -0.12 0.40 -0.01 0.00 -0.51 0.00 0.00 29.16 28.92 1yjx h TRP 167 CO -0.00 -0.62 -0.17 -0.91 -1.03 0.00 0.00 178.44 175.71 1yjx h ASN 168 N -1.00 -0.47 -0.78 2.65 2.35 0.09 -0.15 115.58 118.27 1yjx h ASN 168 Ca -0.08 0.04 0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1yjx h ASN 168 Cb 0.82 0.16 -0.05 0.00 0.05 0.00 0.00 38.32 39.30 1yjx h ASN 168 CO 0.07 -0.23 0.51 -0.33 -1.65 0.00 0.00 177.43 175.80 1yjx h GLU 169 N -0.35 0.83 0.00 0.81 5.08 -1.42 -3.33 114.58 116.20 1yjx h GLU 169 Ca -0.02 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.06 1yjx h GLU 169 Cb 0.30 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1yjx h GLU 169 CO -0.02 0.55 -1.82 0.39 -1.00 0.00 0.00 179.01 177.11 1yjx n GLU 170 N -4.48 0.33 -0.06 2.33 -0.58 -0.06 -4.69 120.64 113.44 1yjx n GLU 170 Ca 0.11 0.11 -0.08 0.00 -0.42 0.00 0.00 57.16 56.89 1yjx n GLU 170 Cb 0.20 -1.15 -0.07 0.00 -0.57 0.00 0.00 31.44 29.85 1yjx n GLU 170 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1yjx h ILE 171 N -0.28 0.91 -0.73 -3.67 2.04 -0.99 -3.34 117.51 111.45 1yjx h ILE 171 Ca -0.35 -1.70 0.14 0.00 1.00 0.00 0.00 64.86 63.95 1yjx h ILE 171 Cb 1.41 1.73 -0.14 0.00 -0.74 0.00 0.00 36.82 39.08 1yjx h ILE 171 CO -0.14 0.31 -0.26 0.58 0.00 0.00 0.00 178.15 178.63 1yjx h VAL 172 N -1.00 0.19 -0.63 1.67 2.07 -1.21 -0.02 116.25 117.32 1yjx h VAL 172 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 1yjx h VAL 172 Cb 0.55 0.19 -0.11 0.00 -1.52 0.00 0.00 31.29 30.39 1yjx h VAL 172 CO -0.01 0.00 -0.06 -0.65 0.02 0.00 0.00 177.57 176.87 1yjx h PRO 173 N -0.06 0.06 -0.22 1.57 0.11 -1.73 0.03 132.00 131.77 1yjx h PRO 173 Ca 0.32 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.46 1yjx h PRO 173 Cb 0.56 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.63 1yjx h PRO 173 CO -0.77 0.04 0.02 1.96 -0.21 0.00 0.00 178.00 179.04 1yjx h GLN 174 N 0.07 0.10 -0.65 1.05 1.08 -1.15 -0.04 115.11 115.57 1yjx h GLN 174 Ca 0.32 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.55 1yjx h GLN 174 Cb 0.51 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.88 1yjx h GLN 174 CO -0.58 0.06 0.38 0.82 -0.95 0.00 0.00 178.83 178.56 1yjx h ILE 175 N 0.10 1.04 -0.33 2.54 2.04 -0.58 0.57 117.51 122.89 1yjx h ILE 175 Ca 0.10 -0.25 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 1yjx h ILE 175 Cb 0.11 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1yjx h ILE 175 CO -0.15 0.13 -0.08 0.11 0.00 0.00 0.00 178.15 178.17 1yjx h LYS 176 N 0.74 0.54 -0.17 2.37 1.57 -0.57 -1.01 116.57 120.04 1yjx h LYS 176 Ca 0.27 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1yjx h LYS 176 Cb 0.08 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1yjx h LYS 176 CO -0.13 0.63 0.00 0.39 -0.57 0.00 0.00 179.45 179.76 1yjx n GLU 177 N -4.22 0.90 -0.99 3.15 1.02 -0.07 -4.83 120.64 115.60 1yjx n GLU 177 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1yjx n GLU 177 Cb 0.30 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 1yjx n GLU 177 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yjx n GLY 178 N 0.34 0.50 3.70 0.62 0.00 -0.38 -5.00 105.19 104.96 1yjx n GLY 178 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1yjx n GLY 178 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yjx s LYS 179 N -0.25 4.38 -0.51 1.61 -0.14 0.13 -4.96 119.74 120.00 1yjx s LYS 179 Ca 0.00 1.78 -0.29 0.00 -1.36 0.00 0.00 55.97 56.10 1yjx s LYS 179 Cb 0.00 -3.44 0.03 0.00 -1.68 0.00 0.00 37.83 32.74 1yjx s LYS 179 CO 0.00 -0.37 1.22 1.03 -0.76 0.00 0.00 175.35 176.47 1yjx s ARG 180 N 1.60 3.60 0.20 1.68 3.00 -1.26 -4.10 118.95 123.68 1yjx s ARG 180 Ca 0.59 0.51 -0.14 0.00 0.00 0.00 0.00 55.73 56.69 1yjx s ARG 180 Cb -0.28 -3.98 -0.07 0.00 0.00 0.00 0.00 34.95 30.62 1yjx s ARG 180 CO 0.27 -1.55 0.59 0.08 0.00 0.00 0.00 175.30 174.68 1yjx s VAL 181 N 4.88 4.83 -0.10 3.52 1.01 -1.26 -0.79 120.40 132.49 1yjx s VAL 181 Ca 0.49 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1yjx s VAL 181 Cb -0.08 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1yjx s VAL 181 CO 0.30 0.11 -0.08 -0.22 0.00 0.00 0.00 175.10 175.20 1yjx s LEU 182 N -2.30 1.29 -0.22 3.92 2.96 -1.06 -2.58 118.68 120.69 1yjx s LEU 182 Ca 0.43 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1yjx s LEU 182 Cb -0.14 -0.82 0.02 0.00 0.50 0.00 0.00 46.19 45.76 1yjx s LEU 182 CO 0.20 -0.08 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.40 1yjx s ILE 183 N 1.43 2.57 -0.38 6.68 1.01 -0.28 -1.59 121.20 130.65 1yjx s ILE 183 Ca -0.00 -1.01 -0.09 0.00 0.00 0.00 0.00 60.65 59.55 1yjx s ILE 183 Cb -0.13 -2.25 0.05 0.00 0.01 0.00 0.00 42.46 40.14 1yjx s ILE 183 CO -0.05 0.31 0.19 0.00 0.00 0.00 0.00 174.94 175.39 1yjx s ALA 184 N 1.30 3.20 0.00 9.38 0.00 -0.47 -0.87 121.76 134.30 1yjx s ALA 184 Ca 0.01 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.07 1yjx s ALA 184 Cb -0.16 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1yjx s ALA 184 CO -0.07 -1.47 0.00 0.00 0.00 0.00 0.00 175.76 174.21 1yjx n ALA 185 N 4.89 0.00 -2.51 0.00 0.00 -0.62 -3.81 120.51 118.46 1yjx n ALA 185 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.09 1yjx n ALA 185 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 1yjx n ALA 185 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1yjx s HIS 186 N 1.08 2.63 0.13 0.00 3.76 -1.26 -2.19 115.29 119.44 1yjx s HIS 186 Ca 0.00 -0.43 -0.30 0.00 -0.15 0.00 0.00 55.06 54.18 1yjx s HIS 186 Cb 0.00 -1.63 -0.06 0.00 1.11 0.00 0.00 32.58 32.00 1yjx s HIS 186 CO 0.00 0.37 1.57 0.78 -0.85 0.00 0.00 174.74 176.61 1yjx h GLY 187 N 1.63 -0.76 1.26 -2.22 0.00 -1.95 0.36 103.07 101.39 1yjx h GLY 187 Ca -0.43 0.57 -0.17 0.00 0.00 0.00 0.00 47.33 47.30 1yjx h GLY 187 CO 0.66 -0.20 -0.49 3.43 0.00 0.00 0.00 176.54 179.93 1yjx h ASN 188 N -0.46 0.86 -0.41 0.19 2.35 -1.97 -1.30 115.58 114.83 1yjx h ASN 188 Ca 0.08 -0.44 -0.08 0.00 -0.55 0.00 0.00 56.30 55.32 1yjx h ASN 188 Cb 0.63 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1yjx h ASN 188 CO -0.47 1.20 -0.05 0.77 -1.65 0.00 0.00 177.43 177.23 1yjx h SER 189 N 0.62 0.76 -0.45 5.81 4.64 -1.72 -2.32 113.55 120.89 1yjx h SER 189 Ca 0.03 -0.34 -0.02 0.00 -0.47 0.00 0.00 61.79 60.99 1yjx h SER 189 Cb 1.07 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.93 1yjx h SER 189 CO 0.11 0.92 0.22 -0.07 -0.87 0.00 0.00 176.83 177.14 1yjx h LEU 190 N 0.58 0.62 -0.93 5.97 3.38 -0.88 -0.99 115.31 123.06 1yjx h LEU 190 Ca 0.11 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1yjx h LEU 190 Cb 0.56 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1yjx h LEU 190 CO 0.03 0.55 0.59 0.03 0.09 0.00 0.00 178.44 179.73 1yjx h ARG 191 N 0.69 1.06 -0.15 1.13 3.08 -0.76 -0.17 114.38 119.27 1yjx h ARG 191 Ca 0.17 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.20 1yjx h ARG 191 Cb 0.10 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 29.86 1yjx h ARG 191 CO -0.02 0.70 -0.15 0.78 -1.07 0.00 0.00 179.97 180.21 1yjx h GLY 192 N 1.09 -0.07 0.83 0.04 0.00 -0.66 0.40 103.07 104.71 1yjx h GLY 192 Ca 0.40 0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.92 1yjx h GLY 192 CO -0.16 -0.15 -0.18 -2.22 0.00 0.00 0.00 176.54 173.82 1yjx h ILE 193 N -0.18 0.61 -0.32 2.60 5.03 -1.10 -1.50 117.51 122.66 1yjx h ILE 193 Ca 0.10 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.90 1yjx h ILE 193 Cb 0.33 0.61 -0.05 0.00 -3.03 0.00 0.00 36.82 34.68 1yjx h ILE 193 CO -0.26 0.00 -0.02 0.58 -0.68 0.00 0.00 178.15 177.77 1yjx h VAL 194 N -0.41 0.74 -0.85 1.67 2.07 -0.55 0.93 116.25 119.85 1yjx h VAL 194 Ca -0.01 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.57 1yjx h VAL 194 Cb 0.37 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 1yjx h VAL 194 CO -0.02 0.01 0.50 0.50 0.02 0.00 0.00 177.57 178.59 1yjx h LYS 195 N 0.06 0.84 0.08 1.57 3.64 -0.02 -0.19 116.57 122.57 1yjx h LYS 195 Ca 0.15 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1yjx h LYS 195 Cb 0.22 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1yjx h LYS 195 CO -0.28 0.56 -0.04 1.25 -2.27 0.00 0.00 179.45 178.67 1yjx h HIS 196 N 0.87 -0.10 -0.19 1.91 2.76 -0.14 0.22 115.15 120.48 1yjx h HIS 196 Ca 0.40 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.59 1yjx h HIS 196 Cb 0.30 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 1yjx h HIS 196 CO -0.05 0.17 0.04 -0.07 -1.30 0.00 0.00 177.93 176.72 1yjx h LEU 197 N -0.37 0.01 -0.57 0.26 3.38 -0.45 -2.93 115.31 114.65 1yjx h LEU 197 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1yjx h LEU 197 Cb 0.32 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1yjx h LEU 197 CO 0.02 0.03 -0.13 -0.62 0.09 0.00 0.00 178.44 177.83 1yjx n GLU 198 N -5.09 1.08 -3.86 1.13 1.02 -0.12 -4.38 120.64 110.43 1yjx n GLU 198 Ca -0.03 -0.57 -0.30 0.00 -0.02 0.00 0.00 57.16 56.25 1yjx n GLU 198 Cb 0.09 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.04 1yjx n GLU 198 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1yjx n GLY 199 N 1.26 -0.50 3.79 0.62 0.00 0.73 -4.94 105.19 106.16 1yjx n GLY 199 Ca 0.15 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 1yjx n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yjx s LEU 200 N -7.25 3.49 0.81 0.99 1.43 -0.94 -5.04 118.68 112.17 1yjx s LEU 200 Ca 0.65 1.89 -0.12 0.00 -1.03 0.00 0.00 54.13 55.52 1yjx s LEU 200 Cb -0.32 -4.54 0.07 0.00 0.03 0.00 0.00 46.19 41.43 1yjx s LEU 200 CO 0.80 -1.28 1.12 -0.94 0.23 0.00 0.00 176.35 176.28 1yjx s SER 201 N -2.66 4.47 0.23 2.29 1.04 -1.26 -4.80 113.70 113.01 1yjx s SER 201 Ca 0.65 1.12 -0.08 0.00 0.48 0.00 0.00 55.95 58.12 1yjx s SER 201 Cb -0.18 -1.80 0.21 0.00 0.10 0.00 0.00 66.02 64.36 1yjx s SER 201 CO 0.37 -1.96 1.90 -0.33 0.98 0.00 0.00 173.24 174.19 1yjx h GLU 202 N -1.09 1.19 -0.54 4.02 5.08 -1.99 -0.18 114.58 121.08 1yjx h GLU 202 Ca -0.47 -0.09 -0.11 0.00 -1.00 0.00 0.00 59.36 57.69 1yjx h GLU 202 Cb 1.29 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1yjx h GLU 202 CO 0.62 0.81 -0.11 0.93 -1.00 0.00 0.00 179.01 180.26 1yjx h GLU 203 N 1.22 1.02 -0.31 2.33 5.08 -1.98 0.95 114.58 122.89 1yjx h GLU 203 Ca 0.32 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1yjx h GLU 203 Cb -0.11 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1yjx h GLU 203 CO -0.07 1.06 0.17 0.00 -1.00 0.00 0.00 179.01 179.17 1yjx h ALA 204 N 0.96 0.40 -0.06 3.43 0.00 -1.72 -2.53 119.26 119.73 1yjx h ALA 204 Ca 0.14 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1yjx h ALA 204 Cb 0.67 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1yjx h ALA 204 CO 0.05 -0.07 -0.65 0.97 0.00 0.00 0.00 179.25 179.54 1yjx h ILE 205 N 0.38 1.40 -0.11 0.00 2.10 -0.98 -2.74 117.51 117.56 1yjx h ILE 205 Ca 0.11 -2.09 0.03 0.00 1.08 0.00 0.00 64.86 63.99 1yjx h ILE 205 Cb 0.06 2.08 -0.00 0.00 -1.09 0.00 0.00 36.82 37.87 1yjx h ILE 205 CO -0.02 0.62 0.15 0.24 -1.08 0.00 0.00 178.15 178.06 1yjx h MET 206 N 0.17 0.00 0.00 2.19 2.86 -0.39 -0.88 114.93 118.87 1yjx h MET 206 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1yjx h MET 206 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1yjx h MET 206 CO 0.10 0.00 -1.04 0.39 1.06 0.00 0.00 176.91 177.42 1yjx n GLU 207 N -3.65 0.12 -2.69 1.72 4.71 -1.04 -4.95 120.64 114.85 1yjx n GLU 207 Ca -0.00 -0.02 -0.42 0.00 -0.01 0.00 0.00 57.16 56.71 1yjx n GLU 207 Cb 0.25 -1.52 -0.03 0.00 -1.01 0.00 0.00 31.44 29.13 1yjx n GLU 207 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1yjx s LEU 208 N -3.33 4.39 -0.27 -4.62 2.96 -0.34 -5.02 118.68 112.45 1yjx s LEU 208 Ca 0.06 1.70 -0.01 0.00 -0.22 0.00 0.00 54.13 55.66 1yjx s LEU 208 Cb 0.16 -3.57 0.09 0.00 0.50 0.00 0.00 46.19 43.36 1yjx s LEU 208 CO 0.84 -0.25 0.07 0.20 -1.32 0.00 0.00 176.35 175.89 1yjx s ASN 209 N 0.87 3.71 0.37 3.68 -0.87 -1.26 -5.01 114.94 116.43 1yjx s ASN 209 Ca 0.52 -1.37 -0.27 0.00 -1.57 0.00 0.00 52.86 50.16 1yjx s ASN 209 Cb -0.22 -0.81 -0.10 0.00 -0.02 0.00 0.00 41.25 40.10 1yjx s ASN 209 CO 0.28 -0.37 1.35 -0.76 -2.57 0.00 0.00 177.10 175.03 1yjx s LEU 210 N 1.67 4.32 0.67 0.60 1.43 -1.26 -4.98 118.68 121.13 1yjx s LEU 210 Ca 0.05 2.76 -0.16 0.00 -1.03 0.00 0.00 54.13 55.76 1yjx s LEU 210 Cb -0.17 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.30 1yjx s LEU 210 CO -0.19 -0.74 1.16 -2.84 0.23 0.00 0.00 176.35 173.97 1yjx s PRO 211 N -2.03 2.64 0.01 1.29 0.02 -1.26 -5.02 135.00 130.64 1yjx s PRO 211 Ca 0.53 1.58 -0.04 0.00 0.02 0.00 0.00 61.00 63.09 1yjx s PRO 211 Cb -0.41 -1.91 -0.04 0.00 0.02 0.00 0.00 34.50 32.16 1yjx s PRO 211 CO 0.54 -1.41 0.23 0.95 -0.33 0.00 0.00 177.00 176.98 1yjx s THR 212 N -2.09 5.36 0.00 0.99 -4.23 -1.26 -4.32 115.64 110.09 1yjx s THR 212 Ca 0.71 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 1yjx s THR 212 Cb -0.25 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1yjx s THR 212 CO 0.40 0.31 0.00 0.61 -0.54 0.00 0.00 174.62 175.40 1yjx n GLY 213 N 0.90 0.61 3.66 3.99 0.00 0.64 -4.91 105.19 110.09 1yjx n GLY 213 Ca -0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 1yjx n GLY 213 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yjx s ILE 214 N -2.06 5.19 0.06 -0.61 1.01 -1.26 -3.71 121.20 119.82 1yjx s ILE 214 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.46 1yjx s ILE 214 Cb 0.00 -3.40 -0.09 0.00 0.01 0.00 0.00 42.46 38.98 1yjx s ILE 214 CO 0.00 0.39 1.89 -2.84 0.00 0.00 0.00 174.94 174.37 1yjx s PRO 215 N 0.80 4.15 -0.31 2.79 0.02 -1.26 -4.57 135.00 136.61 1yjx s PRO 215 Ca 0.07 2.56 -0.11 0.00 0.02 0.00 0.00 61.00 63.54 1yjx s PRO 215 Cb -0.13 -3.95 -0.02 0.00 0.02 0.00 0.00 34.50 30.42 1yjx s PRO 215 CO 0.02 -0.90 0.19 0.42 -0.33 0.00 0.00 177.00 176.40 1yjx s ILE 216 N 3.82 4.99 -0.18 2.83 1.01 0.13 -2.37 121.20 131.44 1yjx s ILE 216 Ca 0.84 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 61.23 1yjx s ILE 216 Cb -0.43 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.51 1yjx s ILE 216 CO 0.39 0.11 0.08 -0.69 0.00 0.00 0.00 174.94 174.82 1yjx s VAL 217 N 1.69 4.94 -0.00 2.92 1.01 -0.81 0.30 120.40 130.44 1yjx s VAL 217 Ca 0.06 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.13 1yjx s VAL 217 Cb -0.17 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 1yjx s VAL 217 CO 0.09 0.47 -0.23 -0.31 0.00 0.00 0.00 175.10 175.11 1yjx s TYR 218 N 0.27 2.41 -0.27 5.22 1.51 0.30 -1.39 117.35 125.39 1yjx s TYR 218 Ca 0.05 -0.37 -0.00 0.00 -1.01 0.00 0.00 57.07 55.74 1yjx s TYR 218 Cb -0.12 -1.49 0.05 0.00 -0.11 0.00 0.00 41.96 40.29 1yjx s TYR 218 CO -0.00 0.07 -0.06 -1.21 -1.11 0.00 0.00 175.55 173.24 1yjx s GLU 219 N -0.89 2.50 0.05 -0.62 2.02 -1.25 0.21 118.70 120.72 1yjx s GLU 219 Ca 0.11 -1.20 0.02 0.00 0.02 0.00 0.00 54.97 53.92 1yjx s GLU 219 Cb -0.10 -3.02 -0.04 0.00 0.10 0.00 0.00 34.13 31.07 1yjx s GLU 219 CO 0.01 -0.53 0.08 -0.51 0.02 0.00 0.00 175.26 174.33 1yjx s LEU 220 N 1.23 3.84 0.00 1.80 1.43 0.16 -0.62 118.68 126.52 1yjx s LEU 220 Ca -0.05 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1yjx s LEU 220 Cb -0.19 -2.42 0.07 0.00 0.03 0.00 0.00 46.19 43.68 1yjx s LEU 220 CO -0.04 0.21 0.48 -0.90 0.23 0.00 0.00 176.35 176.33 1yjx n ASP 221 N 0.70 0.42 0.13 2.29 5.68 -0.22 -3.40 116.55 122.14 1yjx n ASP 221 Ca -0.10 -1.41 0.07 0.00 -0.50 0.00 0.00 54.79 52.86 1yjx n ASP 221 Cb 0.52 -0.33 0.39 0.00 -1.14 0.00 0.00 41.12 40.56 1yjx n ASP 221 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1yjx n LYS 222 N -1.94 0.09 -0.54 0.11 -0.00 -1.26 0.20 118.16 114.83 1yjx n LYS 222 Ca 0.07 0.57 0.08 0.00 -0.00 0.00 0.00 58.31 59.03 1yjx n LYS 222 Cb 0.26 -1.92 0.30 0.00 -0.00 0.00 0.00 35.03 33.67 1yjx n LYS 222 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1yjx n ASN 223 N -2.01 4.36 -2.45 -5.58 3.02 -1.26 -4.92 115.26 106.43 1yjx n ASN 223 Ca -0.01 -2.63 -0.19 0.00 -0.03 0.00 0.00 54.58 51.72 1yjx n ASN 223 Cb 0.13 -0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 38.77 1yjx n ASN 223 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1yjx n LEU 224 N 0.43 -1.78 -4.73 3.41 4.77 0.13 -4.96 117.00 114.28 1yjx n LEU 224 Ca 0.22 0.02 -0.35 0.00 -0.03 0.00 0.00 56.01 55.87 1yjx n LEU 224 Cb 0.87 -2.75 -0.08 0.00 -2.33 0.00 0.00 43.42 39.13 1yjx n LEU 224 CO 0.20 -0.17 -0.25 -0.54 -1.33 0.00 0.00 177.39 175.30 1yjx s LYS 225 N -5.08 3.43 0.01 3.23 -0.14 -1.25 -4.74 119.74 115.19 1yjx s LYS 225 Ca 0.02 -0.30 -0.34 0.00 -1.36 0.00 0.00 55.97 53.99 1yjx s LYS 225 Cb -0.01 -3.04 -0.12 0.00 -1.68 0.00 0.00 37.83 32.98 1yjx s LYS 225 CO 0.02 0.59 1.78 -2.30 -0.76 0.00 0.00 175.35 174.68 1yjx n PRO 226 N 2.52 2.21 0.10 -1.68 -0.02 -1.26 -1.06 135.00 135.82 1yjx n PRO 226 Ca -0.18 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1yjx n PRO 226 Cb 0.54 -2.63 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 1yjx n PRO 226 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1yjx h ILE 227 N 4.81 0.90 -3.24 4.25 2.10 -1.22 -3.47 117.51 121.65 1yjx h ILE 227 Ca -0.47 -2.35 -0.05 0.00 1.08 0.00 0.00 64.86 63.07 1yjx h ILE 227 Cb 1.26 2.40 -0.13 0.00 -1.09 0.00 0.00 36.82 39.26 1yjx h ILE 227 CO 0.93 0.51 0.00 -1.59 -1.08 0.00 0.00 178.15 176.93 1yjx s LYS 228 N -2.91 1.11 0.90 2.19 -2.85 -1.26 -5.10 119.74 111.82 1yjx s LYS 228 Ca 0.02 -0.60 -0.13 0.00 -1.00 0.00 0.00 55.97 54.26 1yjx s LYS 228 Cb 0.08 0.50 0.04 0.00 -2.06 0.00 0.00 37.83 36.39 1yjx s LYS 228 CO 0.77 -0.44 0.54 -0.35 0.10 0.00 0.00 175.35 175.97 1yjx n PRO 229 N -0.19 -0.18 -1.79 1.78 -0.04 -1.26 -4.65 135.00 128.67 1yjx n PRO 229 Ca -0.17 -0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.88 1yjx n PRO 229 Cb 0.64 -1.93 -0.01 0.00 -0.04 0.00 0.00 33.50 32.16 1yjx n PRO 229 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yjx s MET 230 N -3.62 4.11 0.53 0.54 0.23 -1.26 -4.89 119.30 114.94 1yjx s MET 230 Ca 0.60 2.58 0.08 0.00 -1.03 0.00 0.00 55.69 57.92 1yjx s MET 230 Cb -0.24 -2.98 0.05 0.00 -1.53 0.00 0.00 34.83 30.13 1yjx s MET 230 CO 0.64 -0.57 0.62 -0.65 -2.03 0.00 0.00 175.02 173.02 1yjx s GLN 231 N -1.55 2.37 -0.03 3.16 -0.21 -0.49 -4.93 119.66 117.97 1yjx s GLN 231 Ca 0.56 -1.70 -0.03 0.00 0.02 0.00 0.00 55.36 54.21 1yjx s GLN 231 Cb -0.47 -2.47 0.01 0.00 1.00 0.00 0.00 33.01 31.07 1yjx s GLN 231 CO 0.58 -0.66 0.09 -0.06 -2.12 0.00 0.00 175.29 173.12 1yjx s PHE 232 N -2.65 -0.08 -0.16 0.91 2.99 -1.26 -1.93 117.98 115.80 1yjx s PHE 232 Ca 0.52 0.21 -0.08 0.00 0.00 0.00 0.00 56.93 57.57 1yjx s PHE 232 Cb -0.05 0.02 -0.04 0.00 0.00 0.00 0.00 43.02 42.95 1yjx s PHE 232 CO 0.32 -0.07 0.13 -0.51 -0.00 0.00 0.00 175.22 175.09 1yjx s LEU 233 N -0.07 4.25 0.00 -0.37 1.43 -1.00 -4.90 118.68 118.02 1yjx s LEU 233 Ca -0.01 0.32 0.00 0.00 -1.03 0.00 0.00 54.13 53.41 1yjx s LEU 233 Cb -0.01 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1yjx s LEU 233 CO 0.00 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.47 1yjx n GLY 234 N 2.85 0.45 3.77 -3.19 0.00 -1.26 -4.42 105.19 103.39 1yjx n GLY 234 Ca -0.18 -1.72 -0.34 0.00 0.00 0.00 0.00 46.02 43.79 1yjx n GLY 234 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1yjx s ASP 235 N 0.00 5.33 0.37 1.61 1.47 -1.26 -4.54 116.67 119.65 1yjx s ASP 235 Ca 0.00 2.09 0.19 0.00 1.18 0.00 0.00 52.55 56.01 1yjx s ASP 235 Cb 0.00 -2.56 1.20 0.00 -0.34 0.00 0.00 42.92 41.22 1yjx s ASP 235 CO 0.00 -1.48 1.65 1.05 0.68 0.00 0.00 175.17 177.07 1yjx h GLU 236 N 0.51 0.22 -0.61 2.11 -0.00 -2.00 0.63 114.58 115.45 1yjx h GLU 236 Ca -0.48 -0.01 0.05 0.00 -0.00 0.00 0.00 59.36 58.92 1yjx h GLU 236 Cb 1.26 -0.05 -0.04 0.00 -0.00 0.00 0.00 28.75 29.92 1yjx h GLU 236 CO 0.55 0.14 0.40 1.05 -0.00 0.00 0.00 179.01 181.16 1yjx h GLU 237 N 0.22 0.61 0.06 1.06 -0.00 -1.98 0.22 114.58 114.78 1yjx h GLU 237 Ca 0.76 -0.04 -0.34 0.00 -0.00 0.00 0.00 59.36 59.74 1yjx h GLU 237 Cb 1.95 -0.14 -0.03 0.00 -0.00 0.00 0.00 28.75 30.52 1yjx h GLU 237 CO -0.58 0.40 -1.93 2.41 -0.00 0.00 0.00 179.01 179.32 1yjx n THR 238 N -4.47 1.65 0.20 -1.06 -1.04 0.20 -3.48 114.28 106.28 1yjx n THR 238 Ca 0.08 -0.45 0.06 0.00 -2.04 0.00 0.00 64.05 61.71 1yjx n THR 238 Cb 0.20 -1.79 0.43 0.00 -1.82 0.00 0.00 70.33 67.36 1yjx n THR 238 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1yjx h VAL 239 N -0.33 0.93 0.00 12.58 3.04 -0.83 -2.28 116.25 129.36 1yjx h VAL 239 Ca -0.46 -1.22 -0.08 0.00 -1.01 0.00 0.00 66.70 63.94 1yjx h VAL 239 Cb 1.78 1.72 -0.01 0.00 -2.01 0.00 0.00 31.29 32.76 1yjx h VAL 239 CO -0.07 0.31 -0.72 0.03 -1.01 0.00 0.00 177.57 176.11 1yjx h ARG 240 N 0.00 0.00 -0.03 4.17 -0.00 -0.74 -1.31 114.38 116.46 1yjx h ARG 240 Ca -0.00 0.00 -0.16 0.00 -0.50 0.00 0.00 59.98 59.32 1yjx h ARG 240 Cb 0.69 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.65 1yjx h ARG 240 CO 0.04 0.26 -0.68 1.57 0.00 0.00 0.00 179.97 181.16 1yjx h LYS 241 N 0.00 0.16 0.11 0.04 2.10 -1.48 -3.27 116.57 114.23 1yjx h LYS 241 Ca -0.04 -0.13 -0.27 0.00 -2.00 0.00 0.00 60.65 58.21 1yjx h LYS 241 Cb 1.29 0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1yjx h LYS 241 CO 0.04 0.78 -1.38 0.00 -2.00 0.00 0.00 179.45 176.88 1yjx h ALA 242 N 1.19 0.18 0.00 0.07 0.00 -1.45 -3.31 119.26 115.94 1yjx h ALA 242 Ca -0.01 -1.08 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1yjx h ALA 242 Cb 1.21 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1yjx h ALA 242 CO 0.10 0.81 0.00 -1.33 0.00 0.00 0.00 179.25 178.83 1yjx n MET 243 N -3.96 0.13 0.00 0.00 2.81 -0.50 -4.96 117.12 110.64 1yjx n MET 243 Ca -0.25 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.70 1yjx n MET 243 Cb 0.88 -1.00 0.05 0.00 -0.71 0.00 0.00 33.22 32.44 1yjx n MET 243 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87