#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yjx n ALA 3 N 0.00 0.18 -1.91 0.00 0.00 -1.25 -5.05 120.51 112.48 1yjx n ALA 3 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1yjx n ALA 3 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1yjx n ALA 3 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1yjx s TYR 4 N 0.15 3.44 -0.12 0.00 4.12 -0.45 -4.93 117.35 119.56 1yjx s TYR 4 Ca 0.00 1.40 0.01 0.00 0.02 0.00 0.00 57.07 58.49 1yjx s TYR 4 Cb 0.00 -2.73 0.02 0.00 -1.52 0.00 0.00 41.96 37.73 1yjx s TYR 4 CO 0.00 -0.29 -0.13 0.15 0.02 0.00 0.00 175.55 175.30 1yjx s LYS 5 N -3.94 2.04 -0.09 -0.62 -0.14 -1.26 -2.16 119.74 113.57 1yjx s LYS 5 Ca 0.58 -0.47 0.04 0.00 -1.36 0.00 0.00 55.97 54.76 1yjx s LYS 5 Cb -0.10 -1.87 -0.01 0.00 -1.68 0.00 0.00 37.83 34.17 1yjx s LYS 5 CO 0.30 -0.18 -0.22 -1.17 -0.76 0.00 0.00 175.35 173.31 1yjx s LEU 6 N 1.37 2.20 -0.11 3.17 0.20 -0.65 -3.93 118.68 120.94 1yjx s LEU 6 Ca 0.01 -0.50 0.03 0.00 0.69 0.00 0.00 54.13 54.37 1yjx s LEU 6 Cb -0.13 -1.43 0.00 0.00 -0.43 0.00 0.00 46.19 44.20 1yjx s LEU 6 CO -0.07 0.20 -0.22 -0.69 -0.29 0.00 0.00 176.35 175.28 1yjx s VAL 7 N 0.14 1.92 0.11 1.68 1.01 -0.94 -0.54 120.40 123.78 1yjx s VAL 7 Ca -0.12 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.02 1yjx s VAL 7 Cb -0.16 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1yjx s VAL 7 CO 0.06 0.53 -0.15 -0.76 0.00 0.00 0.00 175.10 174.78 1yjx s LEU 8 N 0.53 2.81 -0.15 3.92 1.43 0.13 -0.97 118.68 126.38 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 0.18 0.33 -0.51 0.23 0.00 0.00 176.35 176.63 1yjx s ILE 9 N -1.18 -0.41 -0.12 -0.59 2.07 0.14 -0.19 121.20 120.94 1yjx s ILE 9 Ca 0.19 0.21 -0.20 0.00 -1.41 0.00 0.00 60.65 59.44 1yjx s ILE 9 Cb -0.11 -0.53 -0.04 0.00 0.13 0.00 0.00 42.46 41.91 1yjx s ILE 9 CO 0.11 0.09 0.54 -0.60 -1.91 0.00 0.00 174.94 173.17 1yjx s ARG 10 N 2.24 4.35 0.74 3.50 3.52 -1.26 -1.53 118.95 130.51 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 -3.46 0.04 0.00 -1.56 0.00 0.00 34.95 29.86 1yjx s ARG 10 CO -0.10 0.09 1.16 -2.39 -0.81 0.00 0.00 175.30 173.24 1yjx n HIS 11 N 3.85 1.27 -1.01 5.12 1.44 -0.95 0.11 115.22 125.05 1yjx n HIS 11 Ca -0.05 0.41 0.00 0.00 -2.01 0.00 0.00 57.72 56.06 1yjx n HIS 11 Cb 0.51 -2.14 0.00 0.00 0.12 0.00 0.00 29.99 28.48 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 0.81 -0.28 3.58 -1.39 0.00 -1.26 -4.27 105.19 102.38 1yjx n GLY 12 Ca 0.14 -1.76 -0.51 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.54 1.13 -3.53 1.61 2.13 -1.26 -4.85 120.64 115.33 1yjx n GLU 13 Ca 0.00 0.40 -0.21 0.00 0.66 0.00 0.00 57.16 58.02 1yjx n GLU 13 Cb 0.00 -1.97 -0.03 0.00 0.27 0.00 0.00 31.44 29.71 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 0.22 5.09 0.26 4.31 1.04 -1.26 -0.63 113.70 122.73 1yjx s SER 14 Ca 0.79 -0.72 -0.04 0.00 0.48 0.00 0.00 55.95 56.46 1yjx s SER 14 Cb -0.91 -0.58 0.35 0.00 0.10 0.00 0.00 66.02 64.98 1yjx s SER 14 CO 0.50 -0.66 1.89 0.00 0.98 0.00 0.00 173.24 175.95 1yjx h ALA 15 N 1.00 1.34 0.00 5.32 0.00 -0.63 -0.12 119.26 126.18 1yjx h ALA 15 Ca -0.41 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1yjx h ALA 15 Cb 1.27 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1yjx h ALA 15 CO 0.57 0.50 -0.11 -1.49 0.00 0.00 0.00 179.25 178.72 1yjx h TRP 16 N 1.22 0.00 -0.11 0.00 4.06 -1.92 -3.05 115.95 116.16 1yjx h TRP 16 Ca 0.41 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 61.35 1yjx h TRP 16 Cb 0.06 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.22 1yjx h TRP 16 CO -0.00 0.11 0.05 -0.91 -3.56 0.00 0.00 178.44 174.13 1yjx h ASN 17 N 0.00 0.14 0.32 -3.49 2.35 -1.27 -0.42 115.58 113.21 1yjx h ASN 17 Ca -0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 1yjx h ASN 17 Cb 0.87 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.20 1yjx h ASN 17 CO 0.01 0.23 -0.00 0.00 -1.65 0.00 0.00 177.43 176.02 1yjx n LEU 18 N -4.94 0.01 -0.52 1.61 -0.00 -1.11 -1.37 117.00 110.69 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 0.10 -0.16 0.23 0.00 -0.00 0.00 0.00 43.42 43.58 1yjx n LEU 18 CO 0.34 0.00 0.58 -0.62 -0.00 0.00 0.00 177.39 177.69 1yjx n GLU 19 N -1.15 1.42 -3.57 1.47 1.02 -0.88 -4.96 120.64 113.99 1yjx n GLU 19 Ca 0.18 -1.04 -0.21 0.00 -0.02 0.00 0.00 57.16 56.08 1yjx n GLU 19 Cb 0.19 -1.48 0.07 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 0.11 -2.86 -4.50 1.62 4.05 -0.44 -4.91 115.26 108.33 1yjx n ASN 20 Ca 0.13 -0.67 -0.26 0.00 0.45 0.00 0.00 54.58 54.23 1yjx n ASN 20 Cb 0.44 -4.73 -0.10 0.00 1.23 0.00 0.00 39.78 36.61 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 -5.81 1.79 -0.08 1.20 0.52 -0.30 -1.44 118.95 114.84 1yjx s ARG 21 Ca 0.17 -1.46 -0.30 0.00 -0.52 0.00 0.00 55.73 53.62 1yjx s ARG 21 Cb -0.08 -1.97 -0.02 0.00 0.52 0.00 0.00 34.95 33.40 1yjx s ARG 21 CO 0.76 0.40 1.13 -0.06 0.02 0.00 0.00 175.30 177.55 1yjx s PHE 22 N -1.85 3.30 -0.20 -0.53 0.08 -0.80 -4.62 117.98 113.36 1yjx s PHE 22 Ca 0.24 1.35 -0.16 0.00 0.12 0.00 0.00 56.93 58.49 1yjx s PHE 22 Cb -0.08 -3.33 -0.09 0.00 -0.57 0.00 0.00 43.02 38.94 1yjx s PHE 22 CO 0.13 -0.90 -0.21 0.43 -0.10 0.00 0.00 175.22 174.57 1yjx n SER 23 N 5.23 1.90 0.00 1.36 7.64 -1.26 -0.21 113.62 128.28 1yjx n SER 23 Ca 0.10 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1yjx n SER 23 Cb 0.47 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 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 1.43 4.16 0.23 0.23 0.00 -1.26 -0.51 105.19 109.47 1yjx n GLY 24 Ca -0.27 0.09 0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 14.00 0.00 -1.94 1.61 7.02 -1.26 -4.57 117.44 132.30 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 -0.03 -0.03 0.00 -2.42 0.00 0.00 31.31 28.83 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 -2.09 3.02 -1.05 -5.99 5.04 0.33 -4.85 117.35 111.75 1yjx s TYR 26 Ca 0.40 0.75 -0.08 0.00 -2.44 0.00 0.00 57.07 55.70 1yjx s TYR 26 Cb 0.21 -3.91 -0.14 0.00 0.35 0.00 0.00 41.96 38.47 1yjx s TYR 26 CO 0.38 -3.23 3.06 -3.47 -1.34 0.00 0.00 175.55 170.95 1yjx n ASP 27 N 3.32 7.26 -4.77 4.32 2.03 -1.26 -4.94 116.55 122.51 1yjx n ASP 27 Ca 0.11 -2.50 -0.39 0.00 0.52 0.00 0.00 54.79 52.53 1yjx n ASP 27 Cb 0.39 -1.45 -0.00 0.00 -0.72 0.00 0.00 41.12 39.33 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 1.93 3.11 0.54 -1.67 0.00 -1.26 -4.73 121.76 119.68 1yjx s ALA 28 Ca 0.65 1.13 -0.01 0.00 0.00 0.00 0.00 51.96 53.73 1yjx s ALA 28 Cb 0.21 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.90 1yjx s ALA 28 CO -0.04 -0.81 0.79 0.34 0.00 0.00 0.00 175.76 176.04 1yjx s ASP 29 N -0.98 5.46 0.56 0.00 -1.08 -1.26 -3.25 116.67 116.11 1yjx s ASP 29 Ca 0.61 0.26 -0.19 0.00 -0.52 0.00 0.00 52.55 52.70 1yjx s ASP 29 Cb -0.35 -1.25 -0.05 0.00 -1.46 0.00 0.00 42.92 39.81 1yjx s ASP 29 CO 0.44 -1.03 1.13 -0.76 0.52 0.00 0.00 175.17 175.46 1yjx s LEU 30 N -4.78 3.70 0.55 -1.34 1.43 -1.26 0.01 118.68 116.98 1yjx s LEU 30 Ca 0.54 2.16 -0.04 0.00 -1.03 0.00 0.00 54.13 55.76 1yjx s LEU 30 Cb -0.10 -4.58 0.00 0.00 0.03 0.00 0.00 46.19 41.54 1yjx s LEU 30 CO 0.40 -1.28 0.83 -0.94 0.23 0.00 0.00 176.35 175.59 1yjx s SER 31 N -1.87 5.68 0.26 2.29 1.04 0.20 -4.42 113.70 116.88 1yjx s SER 31 Ca 0.72 0.60 -0.01 0.00 0.48 0.00 0.00 55.95 57.74 1yjx s SER 31 Cb -0.24 -1.67 0.54 0.00 0.10 0.00 0.00 66.02 64.75 1yjx s SER 31 CO 0.29 -0.95 1.74 -0.65 0.98 0.00 0.00 173.24 174.66 1yjx h PRO 32 N -0.00 0.52 -0.34 4.02 0.11 -1.96 0.72 132.00 135.07 1yjx h PRO 32 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1yjx h PRO 32 Cb 1.25 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1yjx h PRO 32 CO 0.60 0.34 0.22 0.00 -0.21 0.00 0.00 178.00 178.95 1yjx h ALA 33 N 1.58 0.43 -0.64 -0.75 0.00 -1.92 -0.25 119.26 117.70 1yjx h ALA 33 Ca 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1yjx h ALA 33 Cb 0.70 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1yjx h ALA 33 CO -0.40 -0.11 0.42 0.78 0.00 0.00 0.00 179.25 179.94 1yjx h GLY 34 N 0.45 0.90 0.87 0.00 0.00 -1.13 0.63 103.07 104.79 1yjx h GLY 34 Ca 0.13 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1yjx h GLY 34 CO -0.03 0.33 0.04 0.84 0.00 0.00 0.00 176.54 177.72 1yjx h HIS 35 N 0.87 0.47 -0.83 5.60 6.17 -0.33 -2.35 115.15 124.74 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 -0.09 -0.13 -0.05 0.00 2.52 0.00 0.00 27.41 29.66 1yjx h HIS 35 CO 0.00 0.55 0.55 1.49 0.71 0.00 0.00 177.93 181.23 1yjx h GLU 36 N 0.25 1.00 -0.07 5.26 4.57 -0.12 -1.07 114.58 124.40 1yjx h GLU 36 Ca 0.08 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1yjx h GLU 36 Cb 0.34 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1yjx h GLU 36 CO 0.01 0.66 -0.01 0.93 -1.18 0.00 0.00 179.01 179.42 1yjx h GLU 37 N 1.03 0.01 -0.56 1.92 5.08 -0.57 0.65 114.58 122.15 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 0.04 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 1yjx h GLU 37 CO -0.10 0.01 0.28 0.00 -1.00 0.00 0.00 179.01 178.20 1yjx h ALA 38 N 1.06 0.72 -0.36 3.43 0.00 -0.85 0.31 119.26 123.58 1yjx h ALA 38 Ca 0.03 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1yjx h ALA 38 Cb 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1yjx h ALA 38 CO -0.06 -0.06 0.12 -0.22 0.00 0.00 0.00 179.25 179.02 1yjx h LYS 39 N 0.54 0.26 -0.19 0.00 3.64 -0.64 0.89 116.57 121.07 1yjx h LYS 39 Ca 0.25 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1yjx h LYS 39 Cb 0.16 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1yjx h LYS 39 CO -0.17 0.17 0.06 0.00 -2.27 0.00 0.00 179.45 177.23 1yjx h ARG 40 N 0.26 0.30 -0.39 1.90 3.08 -0.20 -0.17 114.38 119.17 1yjx h ARG 40 Ca 0.16 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.22 1yjx h ARG 40 Cb 0.15 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 1yjx h ARG 40 CO -0.18 0.40 0.03 0.78 -1.07 0.00 0.00 179.97 179.93 1yjx h GLY 41 N 0.13 0.41 0.68 0.04 0.00 0.39 0.15 103.07 104.87 1yjx h GLY 41 Ca 0.06 0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.47 1yjx h GLY 41 CO -0.00 -0.07 0.38 -1.33 0.00 0.00 0.00 176.54 175.51 1yjx h GLY 42 N 0.14 0.99 1.02 4.60 0.00 0.11 -2.12 103.07 107.81 1yjx h GLY 42 Ca 0.19 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.28 1yjx h GLY 42 CO -0.29 0.16 0.63 -1.61 0.00 0.00 0.00 176.54 175.42 1yjx h GLN 43 N 0.69 1.21 -0.10 4.80 4.15 0.37 0.28 115.11 126.52 1yjx h GLN 43 Ca 0.30 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.65 1yjx h GLN 43 Cb 0.19 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.60 1yjx h GLN 43 CO -0.18 0.80 0.06 0.00 -1.93 0.00 0.00 178.83 177.58 1yjx h ALA 44 N 1.43 0.12 -0.92 3.38 0.00 -0.39 0.10 119.26 122.98 1yjx h ALA 44 Ca 0.36 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1yjx h ALA 44 Cb -0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1yjx h ALA 44 CO -0.09 -0.36 0.61 -0.07 0.00 0.00 0.00 179.25 179.33 1yjx h LEU 45 N 0.10 1.06 -0.28 0.00 3.38 -0.84 0.44 115.31 119.16 1yjx h LEU 45 Ca 0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1yjx h LEU 45 Cb 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1yjx h LEU 45 CO -0.01 0.77 0.11 -0.09 0.09 0.00 0.00 178.44 179.31 1yjx h ARG 46 N 1.25 0.43 -0.51 1.13 1.12 -0.48 -0.68 114.38 116.64 1yjx h ARG 46 Ca 0.34 -0.08 -0.08 0.00 -1.11 0.00 0.00 59.98 59.04 1yjx h ARG 46 Cb -0.14 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 29.73 1yjx h ARG 46 CO -0.07 0.46 -0.01 -0.44 -3.11 0.00 0.00 179.97 176.79 1yjx h ASP 47 N 0.31 0.83 0.17 -3.80 3.32 -0.28 -1.15 116.42 115.82 1yjx h ASP 47 Ca 0.09 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1yjx h ASP 47 Cb 0.19 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1yjx h ASP 47 CO -0.01 0.90 0.00 0.00 -1.72 0.00 0.00 179.24 178.42 1yjx n ALA 48 N -2.48 2.42 -3.39 3.45 0.00 0.10 -4.90 120.51 115.70 1yjx n ALA 48 Ca 0.03 -0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.08 1yjx n ALA 48 Cb 0.32 -1.43 0.06 0.00 0.00 0.00 0.00 19.45 18.40 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 0.75 -0.53 3.78 0.00 0.00 -0.39 -4.97 105.19 103.82 1yjx n GLY 49 Ca 0.17 0.20 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.25 3.14 -0.02 1.61 1.51 -0.48 -5.03 117.35 114.82 1yjx s TYR 50 Ca 0.48 1.60 0.04 0.00 -1.01 0.00 0.00 57.07 58.18 1yjx s TYR 50 Cb -0.22 -3.25 -0.01 0.00 -0.11 0.00 0.00 41.96 38.38 1yjx s TYR 50 CO 0.59 -0.98 -0.14 -1.21 -1.11 0.00 0.00 175.55 172.70 1yjx s GLU 51 N -2.47 1.29 0.33 -0.62 2.02 -1.26 -4.88 118.70 113.11 1yjx s GLU 51 Ca 0.59 -0.50 0.08 0.00 0.02 0.00 0.00 54.97 55.16 1yjx s GLU 51 Cb -0.26 -1.19 -0.06 0.00 0.10 0.00 0.00 34.13 32.71 1yjx s GLU 51 CO 0.32 0.25 -0.07 -0.06 0.02 0.00 0.00 175.26 175.73 1yjx s PHE 52 N -0.13 2.23 -0.00 1.61 0.40 -1.26 -4.80 117.98 116.03 1yjx s PHE 52 Ca 0.01 -0.61 0.00 0.00 -0.60 0.00 0.00 56.93 55.74 1yjx s PHE 52 Cb -0.08 -1.31 -0.00 0.00 0.51 0.00 0.00 43.02 42.14 1yjx s PHE 52 CO 0.00 0.44 0.00 -0.25 0.70 0.00 0.00 175.22 176.11 1yjx n ASP 53 N -0.73 4.96 -3.63 1.36 8.00 0.76 -4.90 116.55 122.37 1yjx n ASP 53 Ca -0.05 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.29 1yjx n ASP 53 Cb 0.64 0.91 -0.07 0.00 -0.02 0.00 0.00 41.12 42.57 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 -2.01 0.02 0.05 0.53 2.07 -1.22 -4.30 121.20 116.34 1yjx s ILE 54 Ca -0.00 -0.14 0.08 0.00 -1.41 0.00 0.00 60.65 59.18 1yjx s ILE 54 Cb 0.00 -0.84 -0.03 0.00 0.13 0.00 0.00 42.46 41.72 1yjx s ILE 54 CO 0.01 -0.07 -0.22 0.00 -1.91 0.00 0.00 174.94 172.74 1yjx s PHE 56 N -0.85 1.46 0.32 0.00 0.40 -0.30 -0.04 117.98 118.96 1yjx s PHE 56 Ca 0.08 -0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 55.98 1yjx s PHE 56 Cb -0.09 -0.99 -0.00 0.00 0.51 0.00 0.00 43.02 42.44 1yjx s PHE 56 CO 0.02 -0.13 0.44 -0.08 0.70 0.00 0.00 175.22 176.18 1yjx s THR 57 N 0.03 0.00 0.00 0.64 -1.32 -0.34 -1.17 115.64 113.48 1yjx s THR 57 Ca -0.02 -1.61 0.00 0.00 -1.21 0.00 0.00 61.69 58.85 1yjx s THR 57 Cb -0.10 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.34 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 -1.14 0.00 -1.15 8.08 3.41 -1.24 -1.08 113.62 120.49 1yjx n SER 58 Ca 0.01 -0.57 -0.01 0.00 -0.26 0.00 0.00 58.87 58.04 1yjx n SER 58 Cb 0.62 0.00 0.22 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 -1.03 2.51 -4.53 -3.33 0.24 -1.24 -3.96 118.33 106.99 1yjx n VAL 59 Ca 0.00 -2.34 -0.33 0.00 -2.04 0.00 0.00 64.34 59.63 1yjx n VAL 59 Cb 0.00 -0.31 -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 -3.09 3.47 0.06 7.34 -0.21 -1.26 -5.04 119.66 120.93 1yjx s GLN 60 Ca 0.45 -0.63 -0.11 0.00 0.02 0.00 0.00 55.36 55.09 1yjx s GLN 60 Cb 0.39 -2.77 -0.02 0.00 1.00 0.00 0.00 33.01 31.60 1yjx s GLN 60 CO 0.04 0.16 0.97 1.63 -2.12 0.00 0.00 175.29 175.97 1yjx n LYS 61 N 3.72 -0.15 -0.37 2.91 5.02 -1.26 -1.23 118.16 126.79 1yjx n LYS 61 Ca -0.18 0.96 0.29 0.00 -2.02 0.00 0.00 58.31 57.36 1yjx n LYS 61 Cb 0.52 -1.42 0.56 0.00 -0.02 0.00 0.00 35.03 34.67 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 0.21 0.00 1.97 0.11 -1.87 0.97 114.38 115.78 1yjx h ARG 62 Ca 0.06 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 1yjx h ARG 62 Cb 0.14 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.17 1yjx h ARG 62 CO -0.33 0.14 -0.03 0.00 0.10 0.00 0.00 179.97 179.85 1yjx h ALA 63 N 1.72 0.01 -0.39 0.08 0.00 -1.48 -2.78 119.26 116.41 1yjx h ALA 63 Ca 0.75 -0.42 0.07 0.00 0.00 0.00 0.00 54.91 55.31 1yjx h ALA 63 Cb 2.03 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 19.78 1yjx h ALA 63 CO -0.49 0.02 -0.03 0.82 0.00 0.00 0.00 179.25 179.57 1yjx h ILE 64 N -1.00 0.68 -0.31 0.00 2.04 0.04 0.66 117.51 119.62 1yjx h ILE 64 Ca -0.01 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1yjx h ILE 64 Cb 0.81 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1yjx h ILE 64 CO -0.01 0.01 0.10 -0.09 0.00 0.00 0.00 178.15 178.16 1yjx h ARG 65 N 0.08 0.44 -0.27 2.37 2.43 0.78 0.65 114.38 120.85 1yjx h ARG 65 Ca 0.19 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1yjx h ARG 65 Cb 0.28 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1yjx h ARG 65 CO -0.34 0.39 0.08 1.15 -1.51 0.00 0.00 179.97 179.74 1yjx h THR 66 N 0.44 1.20 -0.00 0.20 2.02 -0.78 -0.64 112.91 115.33 1yjx h THR 66 Ca 0.11 -0.63 0.02 0.00 0.77 0.00 0.00 66.41 66.68 1yjx h THR 66 Cb 0.14 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1yjx h THR 66 CO -0.01 0.21 -0.13 0.25 0.37 0.00 0.00 175.52 176.21 1yjx h LEU 67 N 0.27 -0.37 -0.36 2.58 6.46 0.17 -0.76 115.31 123.30 1yjx h LEU 67 Ca 0.09 0.06 0.06 0.00 -0.12 0.00 0.00 57.88 57.97 1yjx h LEU 67 Cb 0.24 0.16 -0.06 0.00 -0.73 0.00 0.00 40.66 40.27 1yjx h LEU 67 CO -0.00 -0.18 0.01 -0.50 -0.62 0.00 0.00 178.44 177.15 1yjx h TRP 68 N -0.22 0.01 -0.59 1.25 4.06 -0.77 0.12 115.95 119.81 1yjx h TRP 68 Ca 0.05 0.03 0.02 0.00 2.06 0.00 0.00 58.89 61.05 1yjx h TRP 68 Cb 0.28 0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 28.45 1yjx h TRP 68 CO -0.19 -0.05 0.36 1.15 -3.56 0.00 0.00 178.44 176.15 1yjx h THR 69 N 0.12 1.08 0.10 1.49 2.02 -0.72 0.24 112.91 117.24 1yjx h THR 69 Ca 0.17 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 1yjx h THR 69 Cb 0.23 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1yjx h THR 69 CO -0.28 0.13 -0.05 0.58 0.37 0.00 0.00 175.52 176.28 1yjx h VAL 70 N 0.72 0.99 -1.00 3.16 2.07 -0.37 -0.49 116.25 121.33 1yjx h VAL 70 Ca 0.23 -0.32 0.11 0.00 0.82 0.00 0.00 66.70 67.54 1yjx h VAL 70 Cb 0.00 1.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.89 1yjx h VAL 70 CO -0.09 0.08 0.63 -0.07 0.02 0.00 0.00 177.57 178.14 1yjx h LEU 71 N -0.28 0.94 -0.18 2.57 3.38 -0.53 -0.20 115.31 121.02 1yjx h LEU 71 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1yjx h LEU 71 Cb 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1yjx h LEU 71 CO 0.02 0.52 0.06 -0.78 0.09 0.00 0.00 178.44 178.35 1yjx h ASP 72 N 1.02 0.25 -0.87 -0.43 -0.00 -0.71 0.63 116.42 116.32 1yjx h ASP 72 Ca 0.48 -0.20 0.05 0.00 -0.00 0.00 0.00 57.03 57.36 1yjx h ASP 72 Cb 0.43 -0.07 -0.06 0.00 -0.00 0.00 0.00 39.33 39.64 1yjx h ASP 72 CO -0.24 0.38 0.56 0.00 -0.00 0.00 0.00 179.24 179.94 1yjx h ALA 73 N 0.88 1.17 -0.45 -0.78 0.00 0.11 -2.30 119.26 117.90 1yjx h ALA 73 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yjx h ALA 73 Cb 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1yjx h ALA 73 CO -0.00 0.36 0.00 0.44 0.00 0.00 0.00 179.25 180.05 1yjx n ILE 74 N -4.57 1.75 -3.91 0.00 -5.35 -0.20 -4.82 119.36 102.26 1yjx n ILE 74 Ca 0.12 -0.96 -0.32 0.00 -0.27 0.00 0.00 62.75 61.31 1yjx n ILE 74 Cb 0.13 -0.19 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 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 0.60 -2.74 -2.62 7.28 4.64 -0.80 -4.91 116.55 118.00 1yjx n ASP 75 Ca 0.20 -1.09 0.01 0.00 -1.38 0.00 0.00 54.79 52.53 1yjx n ASP 75 Cb 0.84 -2.80 0.05 0.00 -1.04 0.00 0.00 41.12 38.17 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 -4.46 1.45 0.21 -0.67 6.02 0.15 -4.86 117.38 115.21 1yjx n GLN 76 Ca -0.20 -3.22 0.15 0.00 -0.01 0.00 0.00 57.00 53.72 1yjx n GLN 76 Cb 0.63 -1.31 0.72 0.00 1.02 0.00 0.00 30.24 31.30 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 2.32 0.00 0.00 -1.09 2.86 -1.91 -1.86 114.93 115.24 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 1.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.03 1yjx h MET 77 CO 0.16 0.00 -0.04 -2.67 1.06 0.00 0.00 176.91 175.42 1yjx n TRP 78 N -2.56 0.13 -1.79 -0.22 4.27 -1.26 -4.88 117.44 111.13 1yjx n TRP 78 Ca -0.01 0.04 -0.40 0.00 -3.89 0.00 0.00 57.50 53.25 1yjx n TRP 78 Cb 0.14 -0.55 0.02 0.00 -1.36 0.00 0.00 31.31 29.56 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 -3.22 4.10 0.27 5.67 1.43 -0.70 -4.95 118.68 121.27 1yjx s LEU 79 Ca 0.13 2.92 -0.29 0.00 -1.03 0.00 0.00 54.13 55.86 1yjx s LEU 79 Cb 0.18 -3.95 -0.09 0.00 0.03 0.00 0.00 46.19 42.35 1yjx s LEU 79 CO 0.55 -1.21 1.12 -2.16 0.23 0.00 0.00 176.35 174.88 1yjx s PRO 80 N -2.48 4.61 0.01 1.29 0.04 -1.26 -4.90 135.00 132.30 1yjx s PRO 80 Ca 0.62 1.83 0.06 0.00 0.04 0.00 0.00 61.00 63.55 1yjx s PRO 80 Cb -0.44 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 30.89 1yjx s PRO 80 CO 0.56 0.15 -0.17 0.14 0.04 0.00 0.00 177.00 177.71 1yjx s VAL 81 N -0.99 1.38 -0.13 -0.36 -7.23 -1.26 -1.24 120.40 110.57 1yjx s VAL 81 Ca 0.46 -0.89 0.03 0.00 -1.81 0.00 0.00 61.98 59.76 1yjx s VAL 81 Cb -0.32 -1.18 0.01 0.00 0.56 0.00 0.00 36.38 35.44 1yjx s VAL 81 CO 0.41 0.27 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.57 1yjx s VAL 82 N -0.57 2.00 -0.02 1.32 1.01 0.94 -4.96 120.40 120.13 1yjx s VAL 82 Ca 0.06 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1yjx s VAL 82 Cb -0.07 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1yjx s VAL 82 CO 0.00 0.54 0.15 -0.13 0.00 0.00 0.00 175.10 175.67 1yjx s ARG 83 N 0.79 3.35 -0.22 2.72 0.52 -1.26 -1.20 118.95 123.65 1yjx s ARG 83 Ca -0.08 -0.34 -0.16 0.00 -0.52 0.00 0.00 55.73 54.62 1yjx s ARG 83 Cb -0.16 -3.05 0.06 0.00 0.52 0.00 0.00 34.95 32.33 1yjx s ARG 83 CO -0.01 0.68 0.56 -0.08 0.02 0.00 0.00 175.30 176.47 1yjx s THR 84 N -1.27 -0.01 0.40 0.02 -1.32 -0.24 -4.95 115.64 108.27 1yjx s THR 84 Ca 0.25 0.02 0.37 0.00 -1.21 0.00 0.00 61.69 61.12 1yjx s THR 84 Cb -0.12 -0.80 0.39 0.00 -1.51 0.00 0.00 72.50 70.46 1yjx s THR 84 CO 0.16 0.01 2.16 4.11 -2.21 0.00 0.00 174.62 178.85 1yjx h TRP 85 N 6.10 0.00 0.00 9.09 5.08 -1.89 -2.12 115.95 132.20 1yjx h TRP 85 Ca -0.30 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.67 1yjx h TRP 85 Cb 1.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.35 1yjx h TRP 85 CO 0.28 0.03 0.00 0.54 -1.28 0.00 0.00 178.44 178.00 1yjx n ARG 86 N -3.21 0.15 -0.25 0.12 1.74 -1.26 -0.66 116.66 113.30 1yjx n ARG 86 Ca -0.01 0.53 0.09 0.00 -0.77 0.00 0.00 57.85 57.69 1yjx n ARG 86 Cb 0.20 -1.89 0.23 0.00 -1.02 0.00 0.00 32.46 29.97 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 -2.20 3.39 -4.64 0.55 4.77 -0.80 -3.93 117.00 114.14 1yjx n LEU 87 Ca 0.00 -1.85 -0.30 0.00 -0.03 0.00 0.00 56.01 53.83 1yjx n LEU 87 Cb 0.12 -0.33 0.18 0.00 -2.33 0.00 0.00 43.42 41.07 1yjx n LEU 87 CO 0.14 0.82 0.65 0.20 -1.33 0.00 0.00 177.39 177.86 1yjx s ASN 88 N -1.08 2.51 0.76 -1.43 -0.87 0.17 -4.16 114.94 110.83 1yjx s ASN 88 Ca 0.36 2.04 -0.12 0.00 -1.57 0.00 0.00 52.86 53.57 1yjx s ASN 88 Cb 0.19 -2.51 0.05 0.00 -0.02 0.00 0.00 41.25 38.96 1yjx s ASN 88 CO 0.26 -3.33 1.11 -0.70 -2.57 0.00 0.00 177.10 171.86 1yjx s GLU 89 N -4.61 2.21 0.28 -0.60 2.56 -1.26 -4.30 118.70 112.98 1yjx s GLU 89 Ca 0.67 1.31 -0.30 0.00 0.00 0.00 0.00 54.97 56.65 1yjx s GLU 89 Cb -0.23 -1.88 -0.10 0.00 2.00 0.00 0.00 34.13 33.91 1yjx s GLU 89 CO 0.59 -1.69 1.47 0.50 -0.56 0.00 0.00 175.26 175.57 1yjx s ARG 90 N -4.62 4.23 -0.08 4.30 3.52 -1.26 -4.61 118.95 120.43 1yjx s ARG 90 Ca 0.64 2.38 -0.30 0.00 -0.13 0.00 0.00 55.73 58.33 1yjx s ARG 90 Cb -0.19 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 1yjx s ARG 90 CO 0.52 -0.46 1.43 -1.58 -0.81 0.00 0.00 175.30 174.40 1yjx s HIS 91 N -0.21 2.56 -1.09 5.12 5.65 -1.26 -4.26 115.29 121.80 1yjx s HIS 91 Ca 0.59 0.69 0.10 0.00 0.25 0.00 0.00 55.06 56.68 1yjx s HIS 91 Cb -0.43 -3.68 0.43 0.00 -1.18 0.00 0.00 32.58 27.71 1yjx s HIS 91 CO 0.47 -2.62 1.24 0.66 -0.65 0.00 0.00 174.74 173.84 1yjx n TYR 92 N 6.42 0.95 -1.33 3.88 4.01 -1.26 -0.97 117.16 128.86 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 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 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 0.64 1.59 0.35 2.72 0.00 -1.25 -1.74 105.19 107.51 1yjx n GLY 93 Ca 0.15 -0.35 0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 0.44 -0.04 103.07 105.45 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 -9.29 3.11 3.38 -1.55 -3.44 115.31 107.52 1yjx h LEU 95 Ca 0.09 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.40 1yjx h LEU 95 Cb 0.68 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.47 1yjx h LEU 95 CO -0.00 0.00 0.76 0.41 0.09 0.00 0.00 178.44 179.70 1yjx n THR 96 N -2.70 0.18 0.00 0.22 -1.04 -0.03 -1.09 114.28 109.82 1yjx n THR 96 Ca 0.01 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1yjx n THR 96 Cb 0.26 -1.28 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 3.48 3.08 3.77 3.41 0.00 0.71 -4.92 105.19 114.72 1yjx n GLY 97 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 3.58 -0.02 0.99 1.43 -0.25 -4.64 118.68 119.77 1yjx s LEU 98 Ca 0.00 2.08 -0.30 0.00 -1.03 0.00 0.00 54.13 54.88 1yjx s LEU 98 Cb 0.00 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.63 1yjx s LEU 98 CO 0.00 -1.39 0.99 0.21 0.23 0.00 0.00 176.35 176.39 1yjx s ASN 99 N -2.18 7.34 0.19 2.29 3.84 -1.26 -1.90 114.94 123.26 1yjx s ASN 99 Ca 0.70 1.65 -0.12 0.00 0.21 0.00 0.00 52.86 55.30 1yjx s ASN 99 Cb -0.22 -2.57 0.16 0.00 -0.55 0.00 0.00 41.25 38.07 1yjx s ASN 99 CO 0.34 -0.30 1.80 0.11 -2.79 0.00 0.00 177.10 176.26 1yjx h LYS 100 N 6.85 0.56 -0.37 0.43 1.57 -1.59 -0.36 116.57 123.66 1yjx h LYS 100 Ca -0.39 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1yjx h LYS 100 Cb 1.21 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 1yjx h LYS 100 CO 0.77 0.37 0.24 0.00 -0.57 0.00 0.00 179.45 180.26 1yjx h ALA 101 N 1.28 0.47 -0.59 3.86 0.00 -1.93 -1.28 119.26 121.07 1yjx h ALA 101 Ca 0.24 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1yjx h ALA 101 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1yjx h ALA 101 CO -0.15 -0.08 0.06 0.93 0.00 0.00 0.00 179.25 180.01 1yjx h GLU 102 N 0.49 1.01 -0.97 0.00 5.08 -1.87 -1.57 114.58 116.76 1yjx h GLU 102 Ca 0.14 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1yjx h GLU 102 Cb -0.05 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 1yjx h GLU 102 CO -0.03 0.97 0.64 1.15 -1.00 0.00 0.00 179.01 180.74 1yjx h THR 103 N 0.91 1.25 -0.66 1.13 2.02 -0.79 0.47 112.91 117.24 1yjx h THR 103 Ca 0.18 -0.45 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 1yjx h THR 103 Cb 0.48 -0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 1yjx h THR 103 CO 0.02 0.24 0.13 0.00 0.37 0.00 0.00 175.52 176.27 1yjx h ALA 104 N 1.35 0.98 -0.26 6.16 0.00 -0.90 -0.35 119.26 126.24 1yjx h ALA 104 Ca 0.35 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1yjx h ALA 104 Cb -0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1yjx h ALA 104 CO -0.08 0.65 -0.15 0.00 0.00 0.00 0.00 179.25 179.67 1yjx h ALA 105 N 1.13 0.37 0.00 0.00 0.00 -0.20 0.21 119.26 120.76 1yjx h ALA 105 Ca 0.20 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1yjx h ALA 105 Cb 0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1yjx h ALA 105 CO 0.01 0.26 -0.42 1.57 0.00 0.00 0.00 179.25 180.68 1yjx h LYS 106 N 0.29 0.00 0.00 0.00 -0.00 0.03 -3.35 116.57 113.54 1yjx h LYS 106 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.71 1yjx h LYS 106 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.90 1yjx h LYS 106 CO 0.04 0.42 -0.81 0.72 -0.00 0.00 0.00 179.45 179.82 1yjx n HIS 107 N -3.30 0.00 0.00 0.07 8.25 -0.16 -5.07 115.22 115.01 1yjx n HIS 107 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1yjx n HIS 107 Cb 0.64 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.71 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 1.95 1.15 0.26 -1.41 0.00 0.72 -4.42 105.19 103.44 1yjx n GLY 108 Ca -0.00 -1.36 -0.05 0.00 0.00 0.00 0.00 46.02 44.61 1yjx n GLY 108 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yjx n GLU 109 N 2.46 -0.23 0.02 1.61 -0.58 -1.16 -0.93 120.64 121.83 1yjx n GLU 109 Ca 0.00 0.96 -0.11 0.00 -0.42 0.00 0.00 57.16 57.59 1yjx n GLU 109 Cb 0.00 -1.41 -0.07 0.00 -0.57 0.00 0.00 31.44 29.39 1yjx n GLU 109 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1yjx h ALA 110 N 0.52 -0.78 -0.69 0.62 0.00 -1.92 0.12 119.26 117.13 1yjx h ALA 110 Ca 0.14 -0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.14 1yjx h ALA 110 Cb 0.30 0.84 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 1yjx h ALA 110 CO -0.60 -0.91 0.18 0.37 0.00 0.00 0.00 179.25 178.29 1yjx h GLN 111 N -0.44 0.29 -0.50 0.00 5.75 -1.24 -1.02 115.11 117.95 1yjx h GLN 111 Ca 0.01 -0.02 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 1yjx h GLN 111 Cb 0.49 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.95 1yjx h GLN 111 CO -0.27 0.19 -0.03 0.28 -2.65 0.00 0.00 178.83 176.35 1yjx h VAL 112 N 0.30 1.27 -0.58 2.39 2.07 -0.90 -2.22 116.25 118.57 1yjx h VAL 112 Ca 0.38 -1.12 0.08 0.00 0.82 0.00 0.00 66.70 66.86 1yjx h VAL 112 Cb 0.60 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1yjx h VAL 112 CO -0.45 0.39 0.39 0.11 0.02 0.00 0.00 177.57 178.03 1yjx h LYS 113 N 0.75 0.43 -0.02 1.57 6.56 0.48 0.88 116.57 127.22 1yjx h LYS 113 Ca 0.14 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.70 1yjx h LYS 113 Cb 0.55 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.12 1yjx h LYS 113 CO 0.03 0.29 -0.00 0.82 -2.06 0.00 0.00 179.45 178.52 1yjx h ILE 114 N 0.44 1.29 -0.41 1.86 2.04 -0.80 0.32 117.51 122.25 1yjx h ILE 114 Ca 0.26 -0.86 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 1yjx h ILE 114 Cb 0.44 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1yjx h ILE 114 CO -0.07 0.23 0.07 -0.50 0.00 0.00 0.00 178.15 177.87 1yjx h TRP 115 N -0.32 0.63 0.03 1.37 6.55 -0.51 -0.38 115.95 123.33 1yjx h TRP 115 Ca 0.00 -0.05 -0.26 0.00 0.95 0.00 0.00 58.89 59.53 1yjx h TRP 115 Cb 0.37 -0.19 -0.03 0.00 -0.86 0.00 0.00 29.16 28.45 1yjx h TRP 115 CO 0.05 0.57 -1.38 0.00 -1.05 0.00 0.00 178.44 176.63 1yjx h ARG 116 N 0.60 0.06 0.00 0.49 3.08 0.77 -3.43 114.38 115.95 1yjx h ARG 116 Ca 0.13 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1yjx h ARG 116 Cb 0.28 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1yjx h ARG 116 CO 0.00 0.85 -0.19 0.54 -1.07 0.00 0.00 179.97 180.09 1yjx n ARG 117 N -3.26 4.38 -1.55 0.04 1.74 0.11 -5.06 116.66 113.06 1yjx n ARG 117 Ca -0.10 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.64 1yjx n ARG 117 Cb 1.00 -0.51 0.08 0.00 -1.02 0.00 0.00 32.46 32.01 1yjx n ARG 117 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1yjx s SER 118 N -0.96 4.46 -0.01 0.55 1.04 -0.16 -4.92 113.70 113.70 1yjx s SER 118 Ca 0.00 2.29 -0.19 0.00 0.48 0.00 0.00 55.95 58.53 1yjx s SER 118 Cb 0.00 -2.58 -0.33 0.00 0.10 0.00 0.00 66.02 63.20 1yjx s SER 118 CO 0.00 -2.08 0.93 0.22 0.98 0.00 0.00 173.24 173.29 1yjx h TYR 119 N -0.13 0.75 0.00 5.02 3.20 -1.93 -3.40 116.97 120.47 1yjx h TYR 119 Ca -0.48 -0.55 0.00 0.00 3.14 0.00 0.00 58.73 60.85 1yjx h TYR 119 Cb 1.29 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.53 1yjx h TYR 119 CO 0.48 1.44 -0.02 -0.40 -1.64 0.00 0.00 178.16 178.03 1yjx n ASP 120 N -3.93 2.04 -4.37 -2.11 5.68 -1.26 -1.23 116.55 111.37 1yjx n ASP 120 Ca -0.16 -2.49 -0.43 0.00 -0.50 0.00 0.00 54.79 51.21 1yjx n ASP 120 Cb 0.96 -0.21 -0.08 0.00 -1.14 0.00 0.00 41.12 40.64 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 -1.83 4.99 0.58 2.12 1.01 -1.26 -4.91 120.40 121.08 1yjx s VAL 121 Ca 0.15 -1.10 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 1yjx s VAL 121 Cb 0.13 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1yjx s VAL 121 CO 0.01 -0.53 1.08 -2.16 0.00 0.00 0.00 175.10 173.51 1yjx s PRO 122 N 1.59 3.29 0.96 2.72 0.04 -1.26 -4.63 135.00 137.71 1yjx s PRO 122 Ca 0.04 1.38 -0.14 0.00 0.04 0.00 0.00 61.00 62.32 1yjx s PRO 122 Cb -0.23 -2.02 0.17 0.00 0.04 0.00 0.00 34.50 32.46 1yjx s PRO 122 CO 0.06 -0.86 1.16 -1.25 0.04 0.00 0.00 177.00 176.15 1yjx s PRO 123 N -3.72 0.73 0.49 0.56 0.04 -1.26 -4.95 135.00 126.89 1yjx s PRO 123 Ca 0.67 0.15 -0.22 0.00 0.04 0.00 0.00 61.00 61.64 1yjx s PRO 123 Cb -0.19 -1.80 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1yjx s PRO 123 CO 0.32 -2.45 1.08 -2.30 0.04 0.00 0.00 177.00 173.70 1yjx n PRO 124 N -3.91 1.36 -1.89 0.56 -0.02 -1.26 -4.78 135.00 125.06 1yjx n PRO 124 Ca 0.09 0.50 -0.35 0.00 -2.02 0.00 0.00 63.50 61.71 1yjx n PRO 124 Cb 0.59 -2.21 0.04 0.00 -0.02 0.00 0.00 33.50 31.91 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 -2.38 2.82 -0.55 0.52 0.02 -1.26 0.83 135.00 135.00 1yjx s PRO 125 Ca 0.67 1.75 -0.24 0.00 0.02 0.00 0.00 61.00 63.21 1yjx s PRO 125 Cb -0.49 -1.92 0.04 0.00 0.02 0.00 0.00 34.50 32.16 1yjx s PRO 125 CO 0.53 -1.31 0.92 1.41 -0.33 0.00 0.00 177.00 178.22 1yjx s MET 126 N -3.53 3.32 0.56 5.54 1.75 -0.27 -3.28 119.30 123.39 1yjx s MET 126 Ca 0.75 -0.31 -0.17 0.00 -1.25 0.00 0.00 55.69 54.72 1yjx s MET 126 Cb -0.29 -4.05 -0.05 0.00 2.84 0.00 0.00 34.83 33.28 1yjx s MET 126 CO 0.36 -1.46 1.05 -1.21 -0.65 0.00 0.00 175.02 173.11 1yjx s GLU 127 N 3.83 3.49 0.66 4.11 0.41 -1.26 -4.92 118.70 125.02 1yjx s GLU 127 Ca 0.29 1.23 0.28 0.00 -0.41 0.00 0.00 54.97 56.36 1yjx s GLU 127 Cb -0.13 -2.06 1.55 0.00 -1.78 0.00 0.00 34.13 31.72 1yjx s GLU 127 CO 0.19 -0.68 1.87 -1.35 -0.49 0.00 0.00 175.26 174.80 1yjx h PRO 128 N 0.76 0.00 -0.44 0.39 0.11 -1.99 0.35 132.00 131.19 1yjx h PRO 128 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1yjx h PRO 128 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 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 -2.86 3.15 -4.77 -2.05 5.75 -1.26 -4.80 116.55 109.72 1yjx n ASP 129 Ca -0.02 -1.95 -0.39 0.00 -0.01 0.00 0.00 54.79 52.42 1yjx n ASP 129 Cb 0.40 -0.29 -0.02 0.00 -1.03 0.00 0.00 41.12 40.19 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 -1.42 3.06 0.62 2.11 2.46 0.12 -4.89 115.29 117.35 1yjx s HIS 130 Ca 0.39 1.52 0.28 0.00 0.47 0.00 0.00 55.06 57.72 1yjx s HIS 130 Cb 0.22 -3.48 1.46 0.00 -0.13 0.00 0.00 32.58 30.65 1yjx s HIS 130 CO 0.30 -1.47 1.85 -1.35 -2.47 0.00 0.00 174.74 171.60 1yjx h PRO 131 N 2.85 0.00 -0.04 2.88 0.11 -1.92 -1.56 132.00 134.32 1yjx h PRO 131 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1yjx h PRO 131 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1yjx h PRO 131 CO 0.63 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.61 1yjx n PHE 132 N -3.40 0.08 0.12 0.65 3.72 -1.26 -4.79 117.46 112.58 1yjx n PHE 132 Ca 0.05 -0.70 -0.14 0.00 -0.05 0.00 0.00 57.45 56.61 1yjx n PHE 132 Cb 0.62 -0.10 -0.08 0.00 -0.94 0.00 0.00 39.48 38.98 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 0.23 -1.23 -0.43 1.38 3.20 -1.55 -0.84 116.97 117.73 1yjx h TYR 133 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1yjx h TYR 133 Cb 0.75 0.52 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 1yjx h TYR 133 CO 0.04 -0.50 0.22 0.77 -1.64 0.00 0.00 178.16 177.06 1yjx h SER 134 N -0.65 0.55 -0.99 -2.11 0.02 -1.87 0.22 113.55 108.71 1yjx h SER 134 Ca -0.01 -0.11 0.19 0.00 -0.84 0.00 0.00 61.79 61.02 1yjx h SER 134 Cb 0.63 -0.14 -0.11 0.00 0.14 0.00 0.00 62.40 62.93 1yjx h SER 134 CO -0.20 0.50 0.59 -1.13 -1.14 0.00 0.00 176.83 175.45 1yjx h ASN 135 N 0.55 0.75 0.00 3.07 -0.73 -1.81 -1.95 115.58 115.46 1yjx h ASN 135 Ca 0.15 0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.42 1yjx h ASN 135 Cb 0.08 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.65 1yjx h ASN 135 CO -0.02 0.25 0.00 -0.38 -0.37 0.00 0.00 177.43 176.91 1yjx n ILE 136 N -4.79 0.00 0.13 2.57 2.08 -0.34 -4.32 119.36 114.68 1yjx n ILE 136 Ca 0.23 0.21 0.18 0.00 0.56 0.00 0.00 62.75 63.93 1yjx n ILE 136 Cb 0.58 -1.04 0.76 0.00 -0.75 0.00 0.00 39.64 39.18 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 -0.64 4.38 4.64 -1.08 -1.80 113.55 119.05 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 -4.00 3.32 -2.22 4.77 4.76 -0.74 -4.95 118.16 119.10 1yjx n LYS 138 Ca 0.05 -2.75 -0.42 0.00 -2.87 0.00 0.00 58.31 52.32 1yjx n LYS 138 Cb 0.45 -1.73 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 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 -0.99 6.84 0.35 4.39 3.68 -0.68 -4.88 116.67 125.38 1yjx s ASP 139 Ca 0.48 2.11 0.19 0.00 2.13 0.00 0.00 52.55 57.45 1yjx s ASP 139 Cb 0.29 -2.56 1.24 0.00 -1.45 0.00 0.00 42.92 40.44 1yjx s ASP 139 CO 0.26 -0.73 1.49 -1.14 0.13 0.00 0.00 175.17 175.18 1yjx n ARG 140 N 5.50 -0.06 -0.33 4.34 0.63 -1.26 -0.92 116.66 124.56 1yjx n ARG 140 Ca 0.13 1.31 0.29 0.00 -0.92 0.00 0.00 57.85 58.66 1yjx n ARG 140 Cb 0.44 -2.34 0.54 0.00 0.45 0.00 0.00 32.46 31.55 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 0.15 -0.46 -0.14 2.43 -1.94 0.46 114.38 114.88 1yjx h ARG 141 Ca 0.79 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.95 1yjx h ARG 141 Cb 2.07 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.58 1yjx h ARG 141 CO -0.74 0.10 0.00 0.66 -1.51 0.00 0.00 179.97 178.48 1yjx n TYR 142 N -5.13 1.44 -0.28 2.20 4.01 -0.10 -4.69 117.16 114.63 1yjx n TYR 142 Ca 0.35 -0.75 0.15 0.00 -0.16 0.00 0.00 57.90 57.50 1yjx n TYR 142 Cb 1.16 -0.36 0.43 0.00 -0.31 0.00 0.00 39.34 40.26 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 3.07 1.97 -0.08 -0.72 0.00 -0.99 -1.65 119.26 120.86 1yjx h ALA 143 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yjx h ALA 143 Cb 1.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1yjx h ALA 143 CO 0.31 -0.25 0.00 -0.25 0.00 0.00 0.00 179.25 179.06 1yjx n ASP 144 N -4.58 0.60 -4.75 0.00 8.00 -1.26 -4.83 116.55 109.73 1yjx n ASP 144 Ca 0.19 -1.73 -0.40 0.00 0.71 0.00 0.00 54.79 53.56 1yjx n ASP 144 Cb 0.59 -0.06 -0.05 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 -1.32 4.48 0.71 0.64 1.43 -0.62 -5.03 118.68 118.96 1yjx s LEU 145 Ca 0.20 1.53 -0.14 0.00 -1.03 0.00 0.00 54.13 54.70 1yjx s LEU 145 Cb 0.10 -3.30 0.03 0.00 0.03 0.00 0.00 46.19 43.04 1yjx s LEU 145 CO 0.15 0.03 1.12 0.42 0.23 0.00 0.00 176.35 178.30 1yjx s THR 146 N -0.19 3.06 0.57 5.49 -4.23 -1.26 -4.72 115.64 114.36 1yjx s THR 146 Ca 0.40 0.45 0.33 0.00 -1.18 0.00 0.00 61.69 61.69 1yjx s THR 146 Cb -0.21 -2.95 0.48 0.00 1.34 0.00 0.00 72.50 71.17 1yjx s THR 146 CO 0.25 -0.34 1.72 1.05 -0.54 0.00 0.00 174.62 176.75 1yjx h GLU 147 N -0.38 0.00 0.16 3.99 9.09 -1.96 0.15 114.58 125.63 1yjx h GLU 147 Ca -0.46 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 58.63 1yjx h GLU 147 Cb 1.25 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.36 1yjx h GLU 147 CO 0.52 0.00 -1.55 -0.44 0.05 0.00 0.00 179.01 177.59 1yjx h ASP 148 N 0.00 0.52 -0.22 3.06 3.32 -2.03 -3.37 116.42 117.70 1yjx h ASP 148 Ca 0.47 -0.69 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 1yjx h ASP 148 Cb 2.17 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 41.54 1yjx h ASP 148 CO -0.00 1.57 0.04 1.56 -1.72 0.00 0.00 179.24 180.69 1yjx h GLN 149 N 0.09 0.36 -6.15 3.56 4.20 -1.04 -3.41 115.11 112.73 1yjx h GLN 149 Ca -0.26 -0.09 -0.58 0.00 0.06 0.00 0.00 58.65 57.78 1yjx h GLN 149 Cb 2.06 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.78 1yjx h GLN 149 CO 0.19 0.49 1.36 -1.17 -0.67 0.00 0.00 178.83 179.03 1yjx s LEU 150 N -9.64 3.56 0.53 1.46 1.98 -1.03 -4.95 118.68 110.59 1yjx s LEU 150 Ca -0.14 1.67 -0.07 0.00 -2.89 0.00 0.00 54.13 52.70 1yjx s LEU 150 Cb 0.07 -3.52 -0.04 0.00 0.66 0.00 0.00 46.19 43.36 1yjx s LEU 150 CO 0.73 -1.75 0.87 -2.16 -1.89 0.00 0.00 176.35 172.14 1yjx s PRO 151 N 5.82 3.57 0.00 0.98 0.04 -1.26 -4.97 135.00 139.19 1yjx s PRO 151 Ca 0.89 0.40 0.10 0.00 0.04 0.00 0.00 61.00 62.43 1yjx s PRO 151 Cb -0.29 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 1yjx s PRO 151 CO 0.34 -0.32 0.54 -1.13 0.04 0.00 0.00 177.00 176.47 1yjx n SER 152 N -2.39 0.89 0.00 6.66 3.41 -1.26 -4.97 113.62 115.96 1yjx n SER 152 Ca 0.02 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 1yjx n SER 152 Cb 0.55 0.70 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 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 0.29 0.35 0.00 2.02 -0.14 -4.91 118.70 114.31 1yjx s GLU 154 Ca 0.00 -0.06 0.02 0.00 0.02 0.00 0.00 54.97 54.95 1yjx s GLU 154 Cb 0.00 0.13 -0.02 0.00 0.10 0.00 0.00 34.13 34.34 1yjx s GLU 154 CO 0.00 -0.06 0.54 -1.54 0.02 0.00 0.00 175.26 174.22 1yjx s SER 155 N -0.54 6.14 0.25 -0.19 1.04 -1.26 -4.30 113.70 114.84 1yjx s SER 155 Ca -0.06 0.27 -0.05 0.00 0.48 0.00 0.00 55.95 56.59 1yjx s SER 155 Cb -0.04 -1.78 0.47 0.00 0.10 0.00 0.00 66.02 64.77 1yjx s SER 155 CO 0.01 -0.38 1.69 0.25 0.98 0.00 0.00 173.24 175.79 1yjx h LEU 156 N 0.75 0.05 -0.89 2.42 5.85 -1.74 0.15 115.31 121.90 1yjx h LEU 156 Ca -0.49 0.14 0.15 0.00 0.84 0.00 0.00 57.88 58.53 1yjx h LEU 156 Cb 1.23 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 42.35 1yjx h LEU 156 CO 0.59 -0.02 0.48 0.50 -0.34 0.00 0.00 178.44 179.65 1yjx h LYS 157 N 0.29 0.64 0.14 1.25 3.64 -1.50 -1.37 116.57 119.66 1yjx h LYS 157 Ca 0.42 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.75 1yjx h LYS 157 Cb 0.71 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1yjx h LYS 157 CO -0.50 0.43 -0.07 -0.44 -2.27 0.00 0.00 179.45 176.60 1yjx h ASP 158 N 0.66 -0.16 -0.43 4.20 3.32 -1.01 -1.76 116.42 121.23 1yjx h ASP 158 Ca 0.49 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 57.39 1yjx h ASP 158 Cb 0.70 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 40.21 1yjx h ASP 158 CO -0.36 0.11 -0.55 0.74 -1.72 0.00 0.00 179.24 177.45 1yjx h THR 159 N -0.44 0.00 -0.81 0.35 2.02 -0.54 0.13 112.91 113.62 1yjx h THR 159 Ca -0.02 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.32 1yjx h THR 159 Cb 0.35 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.66 1yjx h THR 159 CO 0.03 0.00 0.35 0.40 0.37 0.00 0.00 175.52 176.67 1yjx h ILE 160 N -0.38 0.62 -0.99 3.11 2.04 -1.28 -0.99 117.51 119.63 1yjx h ILE 160 Ca 0.07 -0.16 0.15 0.00 1.00 0.00 0.00 64.86 65.93 1yjx h ILE 160 Cb 0.58 0.11 -0.09 0.00 -0.74 0.00 0.00 36.82 36.68 1yjx h ILE 160 CO -0.60 0.09 0.62 0.00 0.00 0.00 0.00 178.15 178.25 1yjx h ALA 161 N 1.59 1.63 -0.11 1.87 0.00 0.16 -1.03 119.26 123.37 1yjx h ALA 161 Ca 0.46 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1yjx h ALA 161 Cb 0.74 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1yjx h ALA 161 CO -0.43 0.07 0.00 2.89 0.00 0.00 0.00 179.25 181.78 1yjx n ARG 162 N -4.67 2.22 -0.13 0.00 -4.01 -0.47 -4.28 116.66 105.33 1yjx n ARG 162 Ca 0.21 -1.79 -0.22 0.00 -1.04 0.00 0.00 57.85 55.01 1yjx n ARG 162 Cb 0.46 -1.47 -0.11 0.00 -3.04 0.00 0.00 32.46 28.30 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 1.12 1.34 -0.21 2.89 0.00 -0.66 -4.48 120.51 120.51 1yjx n ALA 163 Ca 0.16 -1.08 -0.03 0.00 0.00 0.00 0.00 53.44 52.49 1yjx n ALA 163 Cb 0.54 -0.06 0.08 0.00 0.00 0.00 0.00 19.45 20.01 1yjx n ALA 163 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1yjx h LEU 164 N -0.31 0.54 -1.74 0.00 -0.00 -1.42 -0.99 115.31 111.38 1yjx h LEU 164 Ca -0.61 0.02 0.15 0.00 -0.00 0.00 0.00 57.88 57.44 1yjx h LEU 164 Cb 1.81 -0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 42.35 1yjx h LEU 164 CO -0.19 0.36 0.46 -0.65 -0.00 0.00 0.00 178.44 178.43 1yjx h PRO 165 N 0.67 0.25 -0.04 1.13 0.11 -1.80 0.44 132.00 132.77 1yjx h PRO 165 Ca 0.27 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.33 1yjx h PRO 165 Cb 0.12 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.18 1yjx h PRO 165 CO -0.15 0.17 -0.12 0.35 -0.21 0.00 0.00 178.00 178.03 1yjx h PHE 166 N 0.26 0.20 -0.42 0.65 3.57 -1.44 -1.32 116.94 118.43 1yjx h PHE 166 Ca 0.33 -0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.83 1yjx h PHE 166 Cb 0.93 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.55 1yjx h PHE 166 CO -0.00 0.74 -0.12 2.35 -2.23 0.00 0.00 178.31 179.05 1yjx h TRP 167 N -0.40 -0.26 -0.06 0.41 2.91 -0.01 0.35 115.95 118.88 1yjx h TRP 167 Ca -0.00 0.04 -0.03 0.00 1.13 0.00 0.00 58.89 60.03 1yjx h TRP 167 Cb 0.75 0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 29.58 1yjx h TRP 167 CO 0.13 -0.20 -0.08 -0.91 -1.03 0.00 0.00 178.44 176.36 1yjx h ASN 168 N -0.02 0.17 0.29 2.65 2.35 -0.23 0.15 115.58 120.95 1yjx h ASN 168 Ca 0.20 -0.51 -0.16 0.00 -0.55 0.00 0.00 56.30 55.28 1yjx h ASN 168 Cb 0.33 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 1yjx h ASN 168 CO -0.45 0.65 -0.64 -0.33 -1.65 0.00 0.00 177.43 175.01 1yjx h GLU 169 N -0.30 0.34 0.00 0.81 5.08 -1.05 -3.37 114.58 116.09 1yjx h GLU 169 Ca 0.01 -0.25 -0.19 0.00 -1.00 0.00 0.00 59.36 57.93 1yjx h GLU 169 Cb 0.61 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1yjx h GLU 169 CO 0.02 0.87 -1.69 0.39 -1.00 0.00 0.00 179.01 177.59 1yjx n GLU 170 N -3.87 0.29 -0.07 2.33 -0.58 0.12 -4.70 120.64 114.17 1yjx n GLU 170 Ca -0.03 0.09 -0.10 0.00 -0.42 0.00 0.00 57.16 56.70 1yjx n GLU 170 Cb 0.65 -1.13 -0.08 0.00 -0.57 0.00 0.00 31.44 30.30 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 -0.17 1.14 -0.65 -3.67 2.04 -1.30 -3.35 117.51 111.55 1yjx h ILE 171 Ca -0.29 -1.88 0.13 0.00 1.00 0.00 0.00 64.86 63.82 1yjx h ILE 171 Cb 1.37 2.18 -0.13 0.00 -0.74 0.00 0.00 36.82 39.50 1yjx h ILE 171 CO -0.10 0.39 -0.22 0.58 0.00 0.00 0.00 178.15 178.80 1yjx h VAL 172 N -1.00 0.27 -0.58 1.67 2.07 -0.87 -0.43 116.25 117.38 1yjx h VAL 172 Ca -0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.62 1yjx h VAL 172 Cb 0.68 0.27 -0.11 0.00 -1.52 0.00 0.00 31.29 30.61 1yjx h VAL 172 CO -0.01 0.00 -0.10 -0.65 0.02 0.00 0.00 177.57 176.83 1yjx h PRO 173 N -0.05 0.03 -0.27 1.57 0.11 -1.74 -0.03 132.00 131.62 1yjx h PRO 173 Ca 0.30 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.45 1yjx h PRO 173 Cb 0.52 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.58 1yjx h PRO 173 CO -0.70 0.02 0.02 1.96 -0.21 0.00 0.00 178.00 179.09 1yjx h GLN 174 N 0.03 0.10 -0.71 1.05 1.08 -1.23 -1.51 115.11 113.93 1yjx h GLN 174 Ca 0.28 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.52 1yjx h GLN 174 Cb 0.44 -0.02 -0.05 0.00 -0.05 0.00 0.00 27.48 27.80 1yjx h GLN 174 CO -0.57 0.07 0.43 0.82 -0.95 0.00 0.00 178.83 178.63 1yjx h ILE 175 N 0.10 1.05 0.00 2.54 2.04 -0.55 -1.73 117.51 120.96 1yjx h ILE 175 Ca 0.13 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1yjx h ILE 175 Cb 0.16 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1yjx h ILE 175 CO -0.20 0.15 -0.19 0.11 0.00 0.00 0.00 178.15 178.01 1yjx h LYS 176 N 0.82 0.00 -0.10 2.37 1.57 -0.45 -1.74 116.57 119.04 1yjx h LYS 176 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1yjx h LYS 176 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1yjx h LYS 176 CO -0.14 0.19 0.00 0.39 -0.57 0.00 0.00 179.45 179.33 1yjx n GLU 177 N -3.98 1.25 -0.78 3.15 1.02 -0.62 -4.87 120.64 115.81 1yjx n GLU 177 Ca -0.02 -0.39 0.00 0.00 -0.02 0.00 0.00 57.16 56.73 1yjx n GLU 177 Cb 0.28 -1.12 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 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 0.71 0.82 3.71 0.62 0.00 -0.65 -5.02 105.19 105.38 1yjx n GLY 178 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.22 4.37 -0.50 1.61 -0.14 -0.89 -4.96 119.74 119.02 1yjx s LYS 179 Ca 0.00 1.90 -0.28 0.00 -1.36 0.00 0.00 55.97 56.23 1yjx s LYS 179 Cb 0.00 -3.34 0.03 0.00 -1.68 0.00 0.00 37.83 32.84 1yjx s LYS 179 CO 0.00 -0.36 1.10 1.03 -0.76 0.00 0.00 175.35 176.36 1yjx s ARG 180 N 1.23 3.62 0.14 1.68 3.00 -1.26 -4.27 118.95 123.09 1yjx s ARG 180 Ca 0.61 0.38 -0.13 0.00 0.00 0.00 0.00 55.73 56.59 1yjx s ARG 180 Cb -0.32 -3.94 -0.07 0.00 0.00 0.00 0.00 34.95 30.62 1yjx s ARG 180 CO 0.29 -1.43 0.53 0.08 0.00 0.00 0.00 175.30 174.77 1yjx s VAL 181 N 4.43 4.90 -0.11 3.52 1.01 -1.25 -0.17 120.40 132.72 1yjx s VAL 181 Ca 0.44 0.76 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1yjx s VAL 181 Cb -0.08 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1yjx s VAL 181 CO 0.29 0.24 -0.10 -0.22 0.00 0.00 0.00 175.10 175.31 1yjx s LEU 182 N -1.97 1.37 -0.24 3.92 2.96 -0.97 -2.22 118.68 121.54 1yjx s LEU 182 Ca 0.37 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1yjx s LEU 182 Cb -0.15 -0.91 0.03 0.00 0.50 0.00 0.00 46.19 45.66 1yjx s LEU 182 CO 0.19 -0.08 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.43 1yjx s ILE 183 N 1.46 2.70 -0.38 6.68 1.01 -0.14 -1.15 121.20 131.39 1yjx s ILE 183 Ca 0.01 -1.04 -0.09 0.00 0.00 0.00 0.00 60.65 59.53 1yjx s ILE 183 Cb -0.13 -2.35 0.05 0.00 0.01 0.00 0.00 42.46 40.03 1yjx s ILE 183 CO -0.06 0.24 0.19 0.00 0.00 0.00 0.00 174.94 175.31 1yjx s ALA 184 N 1.31 3.20 0.00 9.38 0.00 -0.32 -0.68 121.76 134.65 1yjx s ALA 184 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.11 1yjx s ALA 184 Cb -0.16 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1yjx s ALA 184 CO -0.06 -1.45 0.00 0.00 0.00 0.00 0.00 175.76 174.25 1yjx n ALA 185 N 4.91 0.00 -2.53 0.00 0.00 -0.58 -3.74 120.51 118.57 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 0.45 0.00 -0.08 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 0.99 2.60 0.13 0.00 3.76 -1.26 -2.24 115.29 119.27 1yjx s HIS 186 Ca 0.00 -0.42 -0.33 0.00 -0.15 0.00 0.00 55.06 54.16 1yjx s HIS 186 Cb 0.00 -1.55 -0.11 0.00 1.11 0.00 0.00 32.58 32.03 1yjx s HIS 186 CO 0.00 0.43 1.55 0.78 -0.85 0.00 0.00 174.74 176.65 1yjx h GLY 187 N 1.71 -0.99 1.34 -2.22 0.00 -1.95 0.37 103.07 101.33 1yjx h GLY 187 Ca -0.43 0.69 -0.14 0.00 0.00 0.00 0.00 47.33 47.44 1yjx h GLY 187 CO 0.66 -0.16 -0.39 3.43 0.00 0.00 0.00 176.54 180.08 1yjx h ASN 188 N -0.47 0.77 -0.38 0.19 2.35 -1.97 -0.90 115.58 115.18 1yjx h ASN 188 Ca 0.06 -0.35 -0.09 0.00 -0.55 0.00 0.00 56.30 55.38 1yjx h ASN 188 Cb 0.63 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1yjx h ASN 188 CO -0.53 1.07 -0.11 0.77 -1.65 0.00 0.00 177.43 176.99 1yjx h SER 189 N 0.60 0.76 -0.45 5.81 4.64 -1.72 -2.42 113.55 120.77 1yjx h SER 189 Ca 0.05 -0.37 -0.02 0.00 -0.47 0.00 0.00 61.79 60.98 1yjx h SER 189 Cb 0.93 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 1yjx h SER 189 CO 0.08 0.96 0.23 -0.07 -0.87 0.00 0.00 176.83 177.16 1yjx h LEU 190 N 0.55 0.61 -0.82 5.97 3.38 -0.83 -0.96 115.31 123.21 1yjx h LEU 190 Ca 0.09 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1yjx h LEU 190 Cb 0.63 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1yjx h LEU 190 CO 0.04 0.53 0.50 0.03 0.09 0.00 0.00 178.44 179.64 1yjx h ARG 191 N 0.68 0.89 -0.26 1.13 3.08 -0.77 -0.19 114.38 118.94 1yjx h ARG 191 Ca 0.17 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.22 1yjx h ARG 191 Cb 0.09 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 29.88 1yjx h ARG 191 CO -0.02 0.59 -0.11 0.78 -1.07 0.00 0.00 179.97 180.14 1yjx h GLY 192 N 0.92 0.12 0.99 0.04 0.00 -0.70 0.42 103.07 104.85 1yjx h GLY 192 Ca 0.36 0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 1yjx h GLY 192 CO -0.17 -0.14 -0.16 -2.22 0.00 0.00 0.00 176.54 173.85 1yjx h ILE 193 N -0.07 0.67 -0.25 2.60 5.03 -1.18 -2.02 117.51 122.29 1yjx h ILE 193 Ca 0.14 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.93 1yjx h ILE 193 Cb 0.28 0.67 -0.05 0.00 -3.03 0.00 0.00 36.82 34.68 1yjx h ILE 193 CO -0.31 0.00 -0.09 0.58 -0.68 0.00 0.00 178.15 177.65 1yjx h VAL 194 N -0.44 0.68 -0.86 1.67 2.07 -0.55 0.61 116.25 119.42 1yjx h VAL 194 Ca -0.04 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.59 1yjx h VAL 194 Cb 0.35 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 1yjx h VAL 194 CO 0.07 0.00 0.49 0.50 0.02 0.00 0.00 177.57 178.65 1yjx h LYS 195 N -0.04 0.76 -0.04 1.57 3.64 -0.09 -0.27 116.57 122.09 1yjx h LYS 195 Ca 0.13 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1yjx h LYS 195 Cb 0.24 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1yjx h LYS 195 CO -0.29 0.50 -0.00 1.25 -2.27 0.00 0.00 179.45 178.64 1yjx h HIS 196 N 0.78 0.08 0.03 1.91 2.76 -0.52 0.24 115.15 120.44 1yjx h HIS 196 Ca 0.43 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.59 1yjx h HIS 196 Cb 0.46 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 1yjx h HIS 196 CO -0.06 0.38 -0.04 -0.07 -1.30 0.00 0.00 177.93 176.84 1yjx h LEU 197 N -0.23 -0.10 -0.63 0.26 3.38 -0.48 -3.01 115.31 114.51 1yjx h LEU 197 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1yjx h LEU 197 Cb 0.34 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1yjx h LEU 197 CO 0.00 -0.06 -0.07 -0.62 0.09 0.00 0.00 178.44 177.78 1yjx n GLU 198 N -5.14 1.25 -3.85 1.13 1.02 -0.15 -4.45 120.64 110.45 1yjx n GLU 198 Ca -0.07 -0.63 -0.30 0.00 -0.02 0.00 0.00 57.16 56.15 1yjx n GLU 198 Cb 0.07 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.21 -0.50 3.79 0.62 0.00 0.79 -4.93 105.19 106.16 1yjx n GLY 199 Ca 0.17 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 46.06 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 -7.23 3.42 0.81 0.99 1.43 -0.89 -5.04 118.68 112.18 1yjx s LEU 200 Ca 0.64 1.85 -0.12 0.00 -1.03 0.00 0.00 54.13 55.47 1yjx s LEU 200 Cb -0.32 -4.53 0.08 0.00 0.03 0.00 0.00 46.19 41.44 1yjx s LEU 200 CO 0.79 -1.34 1.12 -0.94 0.23 0.00 0.00 176.35 176.21 1yjx s SER 201 N -2.84 4.42 0.11 2.29 1.04 -1.26 -4.79 113.70 112.66 1yjx s SER 201 Ca 0.64 1.09 -0.19 0.00 0.48 0.00 0.00 55.95 57.97 1yjx s SER 201 Cb -0.17 -1.75 -0.07 0.00 0.10 0.00 0.00 66.02 64.13 1yjx s SER 201 CO 0.40 -1.99 1.68 -0.33 0.98 0.00 0.00 173.24 173.98 1yjx h GLU 202 N -1.11 0.34 -0.70 4.02 5.08 -1.99 -0.66 114.58 119.56 1yjx h GLU 202 Ca -0.47 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 57.90 1yjx h GLU 202 Cb 1.29 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.43 1yjx h GLU 202 CO 0.62 0.34 0.40 0.93 -1.00 0.00 0.00 179.01 180.30 1yjx h GLU 203 N 0.25 0.71 0.09 2.33 4.39 -2.00 -1.96 114.58 118.40 1yjx h GLU 203 Ca 0.08 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1yjx h GLU 203 Cb 0.11 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1yjx h GLU 203 CO -0.01 0.47 -0.16 0.00 -1.16 0.00 0.00 179.01 178.15 1yjx h ALA 204 N 1.36 -0.77 0.00 3.43 0.00 -1.65 -2.70 119.26 118.92 1yjx h ALA 204 Ca 0.31 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1yjx h ALA 204 Cb 0.18 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1yjx h ALA 204 CO -0.18 -0.80 -0.00 0.97 0.00 0.00 0.00 179.25 179.23 1yjx h ILE 205 N -0.27 0.23 -0.21 0.00 2.10 -1.08 -1.00 117.51 117.27 1yjx h ILE 205 Ca -0.01 -0.03 -0.08 0.00 1.08 0.00 0.00 64.86 65.82 1yjx h ILE 205 Cb 0.26 1.02 -0.01 0.00 -1.09 0.00 0.00 36.82 37.00 1yjx h ILE 205 CO -0.06 0.00 -0.22 0.24 -1.08 0.00 0.00 178.15 177.03 1yjx h MET 206 N 0.00 0.37 0.03 2.19 2.86 -1.03 -3.06 114.93 116.30 1yjx h MET 206 Ca -0.00 -0.12 -0.26 0.00 -2.06 0.00 0.00 59.70 57.25 1yjx h MET 206 Cb 0.02 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1yjx h MET 206 CO 0.00 0.58 -1.39 0.93 1.06 0.00 0.00 176.91 178.09 1yjx h GLU 207 N 0.34 0.07 -6.67 1.72 3.07 -1.05 -3.46 114.58 108.59 1yjx h GLU 207 Ca 0.06 -0.12 -0.52 0.00 -0.50 0.00 0.00 59.36 58.28 1yjx h GLU 207 Cb 0.58 0.04 0.06 0.00 -0.84 0.00 0.00 28.75 28.60 1yjx h GLU 207 CO 0.04 0.86 0.96 -1.17 -1.40 0.00 0.00 179.01 178.29 1yjx s LEU 208 N -6.57 4.37 -0.29 1.33 2.96 -0.98 -4.99 118.68 114.51 1yjx s LEU 208 Ca -0.04 2.82 -0.01 0.00 -0.22 0.00 0.00 54.13 56.68 1yjx s LEU 208 Cb 0.08 -3.60 0.09 0.00 0.50 0.00 0.00 46.19 43.26 1yjx s LEU 208 CO 0.83 -0.92 0.08 0.20 -1.32 0.00 0.00 176.35 175.22 1yjx s ASN 209 N 1.04 3.84 0.43 3.68 -0.87 -1.26 -4.98 114.94 116.83 1yjx s ASN 209 Ca 0.71 -1.48 -0.25 0.00 -1.57 0.00 0.00 52.86 50.27 1yjx s ASN 209 Cb -0.48 -0.83 -0.08 0.00 -0.02 0.00 0.00 41.25 39.84 1yjx s ASN 209 CO 0.35 -0.39 1.35 -0.76 -2.57 0.00 0.00 177.10 175.07 1yjx s LEU 210 N 1.65 4.14 0.63 0.60 1.43 -1.26 -4.97 118.68 120.90 1yjx s LEU 210 Ca 0.07 2.75 -0.16 0.00 -1.03 0.00 0.00 54.13 55.76 1yjx s LEU 210 Cb -0.17 -3.96 -0.01 0.00 0.03 0.00 0.00 46.19 42.08 1yjx s LEU 210 CO -0.22 -1.03 1.13 -2.84 0.23 0.00 0.00 176.35 173.63 1yjx s PRO 211 N -2.39 2.88 0.05 1.29 0.02 -1.26 -5.03 135.00 130.57 1yjx s PRO 211 Ca 0.60 1.51 -0.04 0.00 0.02 0.00 0.00 61.00 63.09 1yjx s PRO 211 Cb -0.40 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 32.12 1yjx s PRO 211 CO 0.51 -1.21 0.27 0.95 -0.33 0.00 0.00 177.00 177.20 1yjx s THR 212 N -2.11 5.30 0.00 0.99 -4.23 -1.26 -4.32 115.64 110.01 1yjx s THR 212 Ca 0.70 -0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1yjx s THR 212 Cb -0.23 -3.59 0.00 0.00 1.34 0.00 0.00 72.50 70.02 1yjx s THR 212 CO 0.38 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 175.30 1yjx n GLY 213 N 0.66 0.71 3.68 3.99 0.00 0.12 -4.88 105.19 109.47 1yjx n GLY 213 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.92 5.37 0.08 -0.61 1.01 -1.26 -3.88 121.20 119.98 1yjx s ILE 214 Ca 0.00 0.20 -0.31 0.00 0.00 0.00 0.00 60.65 60.54 1yjx s ILE 214 Cb 0.00 -3.50 -0.09 0.00 0.01 0.00 0.00 42.46 38.88 1yjx s ILE 214 CO 0.00 0.37 1.85 -2.84 0.00 0.00 0.00 174.94 174.33 1yjx s PRO 215 N 0.85 4.15 -0.30 2.79 0.02 -1.26 -4.56 135.00 136.68 1yjx s PRO 215 Ca 0.08 2.56 -0.11 0.00 0.02 0.00 0.00 61.00 63.55 1yjx s PRO 215 Cb -0.13 -3.81 -0.03 0.00 0.02 0.00 0.00 34.50 30.55 1yjx s PRO 215 CO 0.03 -0.87 0.18 0.42 -0.33 0.00 0.00 177.00 176.42 1yjx s ILE 216 N 3.40 4.98 -0.19 2.83 1.01 0.74 -2.07 121.20 131.90 1yjx s ILE 216 Ca 0.83 -0.14 -0.08 0.00 0.00 0.00 0.00 60.65 61.26 1yjx s ILE 216 Cb -0.44 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1yjx s ILE 216 CO 0.37 0.14 0.07 -0.69 0.00 0.00 0.00 174.94 174.84 1yjx s VAL 217 N 1.69 4.84 0.01 2.92 1.01 -0.13 -0.69 120.40 130.05 1yjx s VAL 217 Ca 0.06 -0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1yjx s VAL 217 Cb -0.17 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 1yjx s VAL 217 CO 0.09 0.45 -0.22 -0.31 0.00 0.00 0.00 175.10 175.11 1yjx s TYR 218 N 0.43 2.46 -0.26 5.22 1.51 0.30 -2.33 117.35 124.67 1yjx s TYR 218 Ca 0.04 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 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 0.12 -0.09 -1.21 -1.11 0.00 0.00 175.55 173.27 1yjx s GLU 219 N -1.01 2.40 0.06 -0.62 2.02 -1.26 -1.64 118.70 118.66 1yjx s GLU 219 Ca 0.12 -1.25 0.02 0.00 0.02 0.00 0.00 54.97 53.88 1yjx s GLU 219 Cb -0.10 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 31.15 1yjx s GLU 219 CO 0.02 -0.54 0.08 -0.51 0.02 0.00 0.00 175.26 174.33 1yjx s LEU 220 N 1.17 3.84 0.00 1.80 1.43 -0.92 -0.09 118.68 125.92 1yjx s LEU 220 Ca -0.06 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1yjx s LEU 220 Cb -0.19 -2.46 0.08 0.00 0.03 0.00 0.00 46.19 43.65 1yjx s LEU 220 CO -0.05 0.19 0.51 -0.90 0.23 0.00 0.00 176.35 176.34 1yjx n ASP 221 N 0.61 0.47 0.19 2.29 5.68 -0.52 -1.34 116.55 123.94 1yjx n ASP 221 Ca -0.09 -1.45 0.14 0.00 -0.50 0.00 0.00 54.79 52.89 1yjx n ASP 221 Cb 0.52 -0.35 0.51 0.00 -1.14 0.00 0.00 41.12 40.66 1yjx n ASP 221 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1yjx h LYS 222 N 0.00 0.00 -1.38 0.11 5.09 -2.00 -1.49 116.57 116.91 1yjx h LYS 222 Ca -0.17 0.00 -0.58 0.00 0.09 0.00 0.00 60.65 59.99 1yjx h LYS 222 Cb 0.57 0.00 -0.42 0.00 0.10 0.00 0.00 32.23 32.48 1yjx h LYS 222 CO 0.16 0.00 -0.72 0.09 -2.09 0.00 0.00 179.45 176.89 1yjx n ASN 223 N -3.01 4.79 -1.94 7.07 3.02 -1.26 -4.94 115.26 118.99 1yjx n ASN 223 Ca 0.05 -3.73 -0.01 0.00 -0.03 0.00 0.00 54.58 50.86 1yjx n ASN 223 Cb 0.79 -0.44 -0.00 0.00 -0.61 0.00 0.00 39.78 39.52 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 -0.53 -0.07 -4.64 3.41 4.77 -0.56 -4.89 117.00 114.49 1yjx n LEU 224 Ca 0.40 0.31 -0.38 0.00 -0.03 0.00 0.00 56.01 56.30 1yjx n LEU 224 Cb 0.71 -0.90 -0.08 0.00 -2.33 0.00 0.00 43.42 40.83 1yjx n LEU 224 CO 0.35 -0.02 0.07 -0.75 -1.33 0.00 0.00 177.39 175.71 1yjx s LYS 225 N -3.89 4.10 0.43 3.23 2.20 -1.26 -4.80 119.74 119.75 1yjx s LYS 225 Ca 0.00 0.12 -0.25 0.00 -0.36 0.00 0.00 55.97 55.48 1yjx s LYS 225 Cb 0.00 -3.59 -0.10 0.00 -1.51 0.00 0.00 37.83 32.64 1yjx s LYS 225 CO 0.00 -0.13 1.24 -2.30 -0.36 0.00 0.00 175.35 173.80 1yjx n PRO 226 N 4.82 1.84 0.00 4.03 -0.02 -1.26 -1.43 135.00 142.98 1yjx n PRO 226 Ca -0.09 0.66 0.09 0.00 -2.02 0.00 0.00 63.50 62.14 1yjx n PRO 226 Cb 0.51 -2.35 -0.10 0.00 -0.02 0.00 0.00 33.50 31.53 1yjx n PRO 226 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1yjx n ILE 227 N -0.30 0.00 -3.83 4.25 -5.35 0.87 -4.85 119.36 110.15 1yjx n ILE 227 Ca 0.07 -0.05 -0.09 0.00 -0.27 0.00 0.00 62.75 62.41 1yjx n ILE 227 Cb 0.40 1.01 -0.04 0.00 -1.74 0.00 0.00 39.64 39.27 1yjx n ILE 227 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1yjx s LYS 228 N -2.83 1.42 0.76 6.28 -2.85 -1.26 -5.10 119.74 116.16 1yjx s LYS 228 Ca 0.08 -0.99 -0.14 0.00 -1.00 0.00 0.00 55.97 53.93 1yjx s LYS 228 Cb 0.15 0.50 0.06 0.00 -2.06 0.00 0.00 37.83 36.48 1yjx s LYS 228 CO 0.79 -0.60 1.17 -1.25 0.10 0.00 0.00 175.35 175.57 1yjx s PRO 229 N -3.92 2.02 0.26 1.78 0.04 -1.26 -4.76 135.00 129.16 1yjx s PRO 229 Ca 0.13 1.61 -0.31 0.00 0.04 0.00 0.00 61.00 62.47 1yjx s PRO 229 Cb -0.01 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.58 1yjx s PRO 229 CO 0.01 -1.89 1.60 0.00 0.04 0.00 0.00 177.00 176.75 1yjx n MET 230 N -3.05 2.58 -4.08 4.56 0.00 -1.26 -4.95 117.12 110.92 1yjx n MET 230 Ca 0.12 0.92 -0.26 0.00 0.00 0.00 0.00 57.70 58.48 1yjx n MET 230 Cb 0.51 -2.70 -0.05 0.00 0.00 0.00 0.00 33.22 30.98 1yjx n MET 230 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1yjx s GLN 231 N -0.01 2.92 0.02 3.17 -0.21 -0.98 -4.93 119.66 119.65 1yjx s GLN 231 Ca 0.68 -0.86 0.07 0.00 0.02 0.00 0.00 55.36 55.27 1yjx s GLN 231 Cb -0.53 -2.66 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 1yjx s GLN 231 CO 0.44 0.49 -0.18 -0.06 -2.12 0.00 0.00 175.29 173.86 1yjx s PHE 232 N -1.75 2.57 -0.06 0.91 2.99 -1.26 -0.95 117.98 120.42 1yjx s PHE 232 Ca 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 56.93 56.97 1yjx s PHE 232 Cb -0.10 -1.49 -0.04 0.00 0.00 0.00 0.00 43.02 41.39 1yjx s PHE 232 CO 0.24 0.23 0.05 -0.51 -0.00 0.00 0.00 175.22 175.23 1yjx s LEU 233 N -1.30 3.84 0.00 -0.37 1.43 -0.88 -4.93 118.68 116.47 1yjx s LEU 233 Ca 0.14 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1yjx s LEU 233 Cb -0.10 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 44.10 1yjx s LEU 233 CO 0.04 0.35 0.00 0.61 0.23 0.00 0.00 176.35 177.58 1yjx n GLY 234 N 1.78 2.11 3.69 -3.19 0.00 -1.26 -4.38 105.19 103.95 1yjx n GLY 234 Ca -0.17 -1.89 -0.36 0.00 0.00 0.00 0.00 46.02 43.60 1yjx n GLY 234 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yjx n ASP 235 N 0.00 1.52 -0.26 1.61 5.68 -1.26 -4.51 116.55 119.33 1yjx n ASP 235 Ca 0.00 0.76 -0.12 0.00 -0.50 0.00 0.00 54.79 54.93 1yjx n ASP 235 Cb 0.00 -1.51 -0.10 0.00 -1.14 0.00 0.00 41.12 38.37 1yjx n ASP 235 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1yjx h GLU 236 N 0.17 -0.21 -1.15 0.11 -0.00 -1.99 0.80 114.58 112.31 1yjx h GLU 236 Ca -0.49 0.01 0.32 0.00 -0.00 0.00 0.00 59.36 59.20 1yjx h GLU 236 Cb 1.34 0.05 -0.08 0.00 -0.00 0.00 0.00 28.75 30.05 1yjx h GLU 236 CO 0.51 -0.14 0.77 1.05 -0.00 0.00 0.00 179.01 181.19 1yjx h GLU 237 N -0.22 0.21 0.02 1.06 4.11 -1.97 1.21 114.58 118.99 1yjx h GLU 237 Ca 0.11 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.53 1yjx h GLU 237 Cb 0.52 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1yjx h GLU 237 CO -0.75 0.14 -0.01 1.15 0.07 0.00 0.00 179.01 179.61 1yjx h THR 238 N 0.21 0.11 -0.39 -1.06 2.02 -1.26 -2.81 112.91 109.74 1yjx h THR 238 Ca 0.63 -1.06 0.03 0.00 0.77 0.00 0.00 66.41 66.77 1yjx h THR 238 Cb 1.96 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 1yjx h THR 238 CO -0.22 0.04 0.19 1.62 0.37 0.00 0.00 175.52 177.52 1yjx h VAL 239 N -1.01 0.97 -0.52 3.16 3.04 -0.39 -2.11 116.25 119.39 1yjx h VAL 239 Ca -0.00 -0.13 0.01 0.00 -1.01 0.00 0.00 66.70 65.57 1yjx h VAL 239 Cb 0.08 0.54 -0.03 0.00 -2.01 0.00 0.00 31.29 29.87 1yjx h VAL 239 CO 0.00 0.07 0.33 0.03 -1.01 0.00 0.00 177.57 176.99 1yjx h ARG 240 N 0.39 0.64 -0.12 4.17 -0.00 0.13 1.26 114.38 120.85 1yjx h ARG 240 Ca 0.17 -0.04 0.03 0.00 -0.50 0.00 0.00 59.98 59.64 1yjx h ARG 240 Cb 0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 29.97 29.88 1yjx h ARG 240 CO -0.12 0.43 -0.07 1.57 0.00 0.00 0.00 179.97 181.77 1yjx h LYS 241 N 0.66 -0.07 0.00 0.04 2.10 -1.19 0.30 116.57 118.41 1yjx h LYS 241 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 1yjx h LYS 241 Cb -0.03 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1yjx h LYS 241 CO -0.07 -0.04 0.00 0.00 -2.00 0.00 0.00 179.45 177.34 1yjx h ALA 242 N 1.03 1.00 -0.15 0.07 0.00 -1.14 -3.18 119.26 116.89 1yjx h ALA 242 Ca 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1yjx h ALA 242 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1yjx h ALA 242 CO -0.16 0.00 -0.04 0.52 0.00 0.00 0.00 179.25 179.56 1yjx h MET 243 N 0.00 0.30 -0.01 0.00 2.86 0.23 -3.00 114.93 115.31 1yjx h MET 243 Ca 0.00 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1yjx h MET 243 Cb 0.93 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.57 1yjx h MET 243 CO 0.00 0.59 0.05 0.93 1.06 0.00 0.00 176.91 179.54 1yjx h GLU 244 N -0.01 0.00 0.37 1.72 5.08 -0.94 -3.04 114.58 117.75 1yjx h GLU 244 Ca 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1yjx h GLU 244 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1yjx h GLU 244 CO 0.02 0.00 -0.41 0.00 -1.00 0.00 0.00 179.01 177.61 1yjx h ALA 245 N 1.90 -1.06 0.00 3.43 0.00 -1.60 -3.52 119.26 118.41 1yjx h ALA 245 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1yjx h ALA 245 Cb 0.11 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1yjx h ALA 245 CO -0.00 -1.09 0.00 1.55 0.00 0.00 0.00 179.25 179.71