#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 1.72 -2.61 0.00 0.00 -0.81 -5.01 120.51 113.81 1yjx n ALA 3 Ca 0.00 -0.64 -0.17 0.00 0.00 0.00 0.00 53.44 52.63 1yjx n ALA 3 Cb 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 19.45 19.44 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 -2.26 1.21 -0.08 0.00 4.12 -0.12 -5.00 117.35 115.21 1yjx s TYR 4 Ca -0.12 -0.53 0.03 0.00 0.02 0.00 0.00 57.07 56.48 1yjx s TYR 4 Cb 0.04 -0.66 0.01 0.00 -1.52 0.00 0.00 41.96 39.82 1yjx s TYR 4 CO 0.37 0.06 -0.18 0.15 0.02 0.00 0.00 175.55 175.97 1yjx s LYS 5 N -2.21 2.36 -0.05 -0.62 1.02 -1.26 -0.44 119.74 118.54 1yjx s LYS 5 Ca 0.02 -0.66 0.05 0.00 0.02 0.00 0.00 55.97 55.40 1yjx s LYS 5 Cb -0.07 -1.85 -0.00 0.00 -0.52 0.00 0.00 37.83 35.38 1yjx s LYS 5 CO 0.02 0.12 -0.20 -1.17 -0.92 0.00 0.00 175.35 173.20 1yjx s LEU 6 N 0.45 1.96 -0.10 3.17 0.20 0.79 -4.12 118.68 121.02 1yjx s LEU 6 Ca -0.16 -0.42 0.03 0.00 0.69 0.00 0.00 54.13 54.28 1yjx s LEU 6 Cb -0.16 -1.12 0.01 0.00 -0.43 0.00 0.00 46.19 44.48 1yjx s LEU 6 CO 0.06 0.17 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.41 1yjx s VAL 7 N 0.06 1.75 0.14 1.68 1.01 -1.08 0.84 120.40 124.80 1yjx s VAL 7 Ca -0.06 -0.82 0.08 0.00 0.00 0.00 0.00 61.98 61.19 1yjx s VAL 7 Cb -0.13 -1.55 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1yjx s VAL 7 CO 0.03 0.49 -0.12 -0.76 0.00 0.00 0.00 175.10 174.75 1yjx s LEU 8 N 0.67 2.92 -0.16 3.92 1.43 0.13 -1.21 118.68 126.37 1yjx s LEU 8 Ca -0.12 -0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 52.39 1yjx s LEU 8 Cb -0.16 -1.68 0.07 0.00 0.03 0.00 0.00 46.19 44.45 1yjx s LEU 8 CO 0.03 0.14 0.36 -0.51 0.23 0.00 0.00 176.35 176.60 1yjx s ILE 9 N -1.41 -0.41 -0.13 -0.59 2.07 -0.06 0.13 121.20 120.79 1yjx s ILE 9 Ca 0.22 0.19 -0.19 0.00 -1.41 0.00 0.00 60.65 59.45 1yjx s ILE 9 Cb -0.10 -0.57 -0.04 0.00 0.13 0.00 0.00 42.46 41.89 1yjx s ILE 9 CO 0.13 0.08 0.54 -0.60 -1.91 0.00 0.00 174.94 173.18 1yjx s ARG 10 N 2.22 4.33 0.75 3.50 3.52 -1.26 -1.70 118.95 130.30 1yjx s ARG 10 Ca -0.03 0.55 -0.15 0.00 -0.13 0.00 0.00 55.73 55.96 1yjx s ARG 10 Cb -0.11 -3.47 0.03 0.00 -1.56 0.00 0.00 34.95 29.83 1yjx s ARG 10 CO -0.11 0.06 1.02 -2.39 -0.81 0.00 0.00 175.30 173.06 1yjx n HIS 11 N 3.99 0.78 -1.02 5.12 1.44 -0.88 -0.18 115.22 124.48 1yjx n HIS 11 Ca -0.05 0.39 0.00 0.00 -2.01 0.00 0.00 57.72 56.05 1yjx n HIS 11 Cb 0.51 -2.08 0.00 0.00 0.12 0.00 0.00 29.99 28.54 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 0.97 -0.13 3.58 -1.39 0.00 -1.26 -4.32 105.19 102.64 1yjx n GLY 12 Ca 0.13 -1.77 -0.50 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 -0.47 1.13 -3.65 1.61 2.13 -1.26 -4.86 120.64 115.27 1yjx n GLU 13 Ca 0.00 0.40 -0.21 0.00 0.66 0.00 0.00 57.16 58.01 1yjx n GLU 13 Cb 0.00 -1.94 -0.04 0.00 0.27 0.00 0.00 31.44 29.73 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 0.14 5.05 0.25 4.31 1.04 -1.26 -0.77 113.70 122.46 1yjx s SER 14 Ca 0.77 -0.72 -0.03 0.00 0.48 0.00 0.00 55.95 56.44 1yjx s SER 14 Cb -0.89 -0.64 0.39 0.00 0.10 0.00 0.00 66.02 64.98 1yjx s SER 14 CO 0.51 -0.58 1.85 0.00 0.98 0.00 0.00 173.24 175.99 1yjx h ALA 15 N 1.10 1.29 0.00 5.32 0.00 -0.50 0.30 119.26 126.77 1yjx h ALA 15 Ca -0.42 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1yjx h ALA 15 Cb 1.26 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1yjx h ALA 15 CO 0.58 0.29 -0.09 -1.49 0.00 0.00 0.00 179.25 178.54 1yjx h TRP 16 N 1.00 0.00 -0.04 0.00 4.06 -1.92 -2.98 115.95 116.07 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 0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.40 1yjx h TRP 16 CO -0.02 0.09 0.02 -0.91 -3.56 0.00 0.00 178.44 174.05 1yjx h ASN 17 N 0.00 0.06 0.26 -3.49 2.35 -1.20 -0.69 115.58 112.87 1yjx h ASN 17 Ca -0.00 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 1yjx h ASN 17 Cb 0.82 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.18 1yjx h ASN 17 CO 0.01 0.18 0.00 0.00 -1.65 0.00 0.00 177.43 175.97 1yjx n LEU 18 N -4.98 0.00 -0.55 1.61 -0.00 -1.09 -1.31 117.00 110.67 1yjx n LEU 18 Ca -0.07 0.13 0.12 0.00 -0.00 0.00 0.00 56.01 56.20 1yjx n LEU 18 Cb 0.10 -0.13 0.25 0.00 -0.00 0.00 0.00 43.42 43.63 1yjx n LEU 18 CO 0.34 -0.00 0.61 -0.62 -0.00 0.00 0.00 177.39 177.72 1yjx n GLU 19 N -1.13 1.53 -3.62 1.47 1.02 -0.86 -4.96 120.64 114.09 1yjx n GLU 19 Ca 0.19 -1.11 -0.21 0.00 -0.02 0.00 0.00 57.16 56.02 1yjx n GLU 19 Cb 0.17 -1.48 0.05 0.00 -0.02 0.00 0.00 31.44 30.16 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 0.24 -1.86 -4.44 1.62 4.05 -0.42 -4.89 115.26 109.55 1yjx n ASN 20 Ca 0.14 -0.74 -0.26 0.00 0.45 0.00 0.00 54.58 54.17 1yjx n ASN 20 Cb 0.45 -4.43 -0.11 0.00 1.23 0.00 0.00 39.78 36.91 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 -5.83 1.58 -0.08 1.20 0.52 -0.39 -1.04 118.95 114.92 1yjx s ARG 21 Ca 0.06 -1.63 -0.30 0.00 -0.52 0.00 0.00 55.73 53.35 1yjx s ARG 21 Cb -0.03 -1.81 -0.02 0.00 0.52 0.00 0.00 34.95 33.61 1yjx s ARG 21 CO 0.78 0.37 1.08 -0.06 0.02 0.00 0.00 175.30 177.50 1yjx s PHE 22 N -2.03 3.39 -0.20 -0.53 0.08 -0.70 -4.62 117.98 113.38 1yjx s PHE 22 Ca 0.25 1.44 -0.15 0.00 0.12 0.00 0.00 56.93 58.58 1yjx s PHE 22 Cb -0.07 -3.28 -0.09 0.00 -0.57 0.00 0.00 43.02 39.01 1yjx s PHE 22 CO 0.12 -0.66 -0.22 0.43 -0.10 0.00 0.00 175.22 174.79 1yjx n SER 23 N 5.07 1.90 0.00 1.36 7.64 -1.26 -0.39 113.62 127.94 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 0.48 -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 1.44 4.09 0.15 0.23 0.00 -1.26 -0.50 105.19 109.34 1yjx n GLY 24 Ca -0.25 0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.87 1.61 7.02 -1.26 -4.59 117.44 132.35 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 -0.11 -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 -2.27 2.91 -0.86 -5.99 5.04 0.35 -4.84 117.35 111.69 1yjx s TYR 26 Ca 0.35 0.76 -0.08 0.00 -2.44 0.00 0.00 57.07 55.67 1yjx s TYR 26 Cb 0.21 -3.98 -0.17 0.00 0.35 0.00 0.00 41.96 38.37 1yjx s TYR 26 CO 0.42 -3.39 3.27 -3.47 -1.34 0.00 0.00 175.55 171.05 1yjx n ASP 27 N 2.81 7.11 -4.77 4.32 2.03 -1.26 -4.94 116.55 121.85 1yjx n ASP 27 Ca 0.10 -2.54 -0.39 0.00 0.52 0.00 0.00 54.79 52.48 1yjx n ASP 27 Cb 0.38 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.29 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 1.57 3.22 0.56 -1.67 0.00 -1.26 -4.73 121.76 119.45 1yjx s ALA 28 Ca 0.68 1.26 -0.02 0.00 0.00 0.00 0.00 51.96 53.88 1yjx s ALA 28 Cb 0.25 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.89 1yjx s ALA 28 CO -0.03 -0.90 0.82 0.34 0.00 0.00 0.00 175.76 175.99 1yjx s ASP 29 N -0.74 5.45 0.57 0.00 -1.08 -1.26 -3.40 116.67 116.21 1yjx s ASP 29 Ca 0.58 0.35 -0.19 0.00 -0.52 0.00 0.00 52.55 52.77 1yjx s ASP 29 Cb -0.39 -1.33 -0.05 0.00 -1.46 0.00 0.00 42.92 39.70 1yjx s ASP 29 CO 0.49 -1.06 1.14 -0.76 0.52 0.00 0.00 175.17 175.50 1yjx s LEU 30 N -4.84 3.69 0.55 -1.34 1.43 -1.26 0.16 118.68 117.07 1yjx s LEU 30 Ca 0.54 2.19 -0.04 0.00 -1.03 0.00 0.00 54.13 55.79 1yjx s LEU 30 Cb -0.10 -4.58 0.01 0.00 0.03 0.00 0.00 46.19 41.54 1yjx s LEU 30 CO 0.41 -1.33 0.84 -0.94 0.23 0.00 0.00 176.35 175.56 1yjx s SER 31 N -1.84 5.66 0.26 2.29 1.04 0.05 -4.40 113.70 116.75 1yjx s SER 31 Ca 0.73 0.60 -0.02 0.00 0.48 0.00 0.00 55.95 57.73 1yjx s SER 31 Cb -0.24 -1.66 0.52 0.00 0.10 0.00 0.00 66.02 64.74 1yjx s SER 31 CO 0.30 -0.97 1.73 -0.65 0.98 0.00 0.00 173.24 174.63 1yjx h PRO 32 N -0.02 0.46 -0.38 4.02 0.11 -1.96 0.95 132.00 135.18 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 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1yjx h PRO 32 CO 0.60 0.31 0.25 0.00 -0.21 0.00 0.00 178.00 178.94 1yjx h ALA 33 N 1.58 0.48 -0.70 -0.75 0.00 -1.92 -0.28 119.26 117.67 1yjx h ALA 33 Ca 0.45 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.34 1yjx h ALA 33 Cb 0.71 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1yjx h ALA 33 CO -0.42 -0.06 0.46 0.78 0.00 0.00 0.00 179.25 180.02 1yjx h GLY 34 N 0.52 0.98 0.90 0.00 0.00 -1.04 0.66 103.07 105.09 1yjx h GLY 34 Ca 0.14 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 1yjx h GLY 34 CO -0.03 0.35 0.04 0.84 0.00 0.00 0.00 176.54 177.75 1yjx h HIS 35 N 0.94 0.58 -0.84 5.60 6.17 -0.29 -2.22 115.15 125.09 1yjx h HIS 35 Ca 0.26 -0.08 0.03 0.00 0.71 0.00 0.00 60.37 61.28 1yjx h HIS 35 Cb -0.10 -0.16 -0.05 0.00 2.52 0.00 0.00 27.41 29.63 1yjx h HIS 35 CO -0.00 0.62 0.55 1.49 0.71 0.00 0.00 177.93 181.31 1yjx h GLU 36 N 0.36 1.04 -0.09 5.26 4.57 -0.06 -0.97 114.58 124.68 1yjx h GLU 36 Ca 0.10 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1yjx h GLU 36 Cb 0.37 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1yjx h GLU 36 CO 0.01 0.69 0.02 0.93 -1.18 0.00 0.00 179.01 179.47 1yjx h GLU 37 N 1.07 0.06 -0.53 1.92 5.08 -0.50 0.41 114.58 122.09 1yjx h GLU 37 Ca 0.32 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.72 1yjx h GLU 37 Cb -0.02 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1yjx h GLU 37 CO -0.09 0.04 0.28 0.00 -1.00 0.00 0.00 179.01 178.24 1yjx h ALA 38 N 1.07 0.68 -0.24 3.43 0.00 -0.78 0.16 119.26 123.58 1yjx h ALA 38 Ca 0.04 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1yjx h ALA 38 Cb 0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1yjx h ALA 38 CO -0.06 -0.06 -0.05 -0.22 0.00 0.00 0.00 179.25 178.87 1yjx h LYS 39 N 0.54 0.01 -0.39 0.00 3.64 -0.60 0.52 116.57 120.29 1yjx h LYS 39 Ca 0.23 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1yjx h LYS 39 Cb 0.12 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 1yjx h LYS 39 CO -0.15 0.01 0.04 0.00 -2.27 0.00 0.00 179.45 177.07 1yjx h ARG 40 N 0.01 0.60 -0.33 1.90 3.08 -0.30 -0.97 114.38 118.38 1yjx h ARG 40 Ca 0.12 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1yjx h ARG 40 Cb 0.17 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1yjx h ARG 40 CO -0.24 0.60 -0.01 0.78 -1.07 0.00 0.00 179.97 180.04 1yjx h GLY 41 N 0.86 0.63 1.00 0.04 0.00 0.12 -1.29 103.07 104.43 1yjx h GLY 41 Ca 0.13 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1yjx h GLY 41 CO 0.01 0.43 0.25 -1.33 0.00 0.00 0.00 176.54 175.90 1yjx h GLY 42 N 0.39 1.01 0.57 4.60 0.00 0.21 -2.41 103.07 107.44 1yjx h GLY 42 Ca 0.09 -0.55 0.07 0.00 0.00 0.00 0.00 47.33 46.94 1yjx h GLY 42 CO 0.02 0.52 0.28 -1.61 0.00 0.00 0.00 176.54 175.75 1yjx h GLN 43 N 0.89 0.51 -0.31 4.80 5.75 -0.97 0.24 115.11 126.00 1yjx h GLN 43 Ca 0.21 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.73 1yjx h GLN 43 Cb 0.21 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 1yjx h GLN 43 CO -0.02 0.33 0.03 0.00 -2.65 0.00 0.00 178.83 176.53 1yjx h ALA 44 N 1.36 0.30 -0.80 3.38 0.00 -0.88 0.30 119.26 122.92 1yjx h ALA 44 Ca 0.28 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1yjx h ALA 44 Cb 0.26 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1yjx h ALA 44 CO -0.23 -0.38 0.45 -0.07 0.00 0.00 0.00 179.25 179.03 1yjx h LEU 45 N 0.13 0.98 -0.27 0.00 3.38 -0.80 -0.08 115.31 118.65 1yjx h LEU 45 Ca 0.15 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1yjx h LEU 45 Cb 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1yjx h LEU 45 CO -0.22 0.78 0.11 -0.09 0.09 0.00 0.00 178.44 179.10 1yjx h ARG 46 N 1.11 0.41 -0.65 1.13 1.12 0.65 -0.72 114.38 117.43 1yjx h ARG 46 Ca 0.28 -0.07 -0.07 0.00 -1.11 0.00 0.00 59.98 59.01 1yjx h ARG 46 Cb 0.00 -0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 29.87 1yjx h ARG 46 CO -0.05 0.44 0.14 -0.44 -3.11 0.00 0.00 179.97 176.95 1yjx h ASP 47 N 0.29 0.99 0.27 -3.80 3.32 0.03 -1.04 116.42 116.49 1yjx h ASP 47 Ca 0.09 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1yjx h ASP 47 Cb 0.18 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1yjx h ASP 47 CO -0.01 0.96 0.00 0.00 -1.72 0.00 0.00 179.24 178.47 1yjx n ALA 48 N -2.46 2.30 -3.25 3.45 0.00 -0.09 -4.90 120.51 115.57 1yjx n ALA 48 Ca 0.05 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1yjx n ALA 48 Cb 0.26 -1.40 0.05 0.00 0.00 0.00 0.00 19.45 18.37 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 0.68 -0.50 3.78 0.00 0.00 -0.39 -4.97 105.19 103.78 1yjx n GLY 49 Ca 0.14 0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.23 3.13 -0.03 1.61 1.51 -0.48 -5.03 117.35 114.83 1yjx s TYR 50 Ca 0.42 1.60 0.04 0.00 -1.01 0.00 0.00 57.07 58.11 1yjx s TYR 50 Cb -0.18 -3.25 -0.00 0.00 -0.11 0.00 0.00 41.96 38.41 1yjx s TYR 50 CO 0.52 -1.01 -0.14 -1.21 -1.11 0.00 0.00 175.55 172.60 1yjx s GLU 51 N -2.49 1.34 0.34 -0.62 2.02 -1.26 -4.88 118.70 113.15 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 -1.22 -0.07 0.00 0.10 0.00 0.00 34.13 32.68 1yjx s GLU 51 CO 0.32 0.24 -0.06 -0.06 0.02 0.00 0.00 175.26 175.72 1yjx s PHE 52 N -0.07 2.29 0.00 1.61 0.40 -1.26 -4.82 117.98 116.13 1yjx s PHE 52 Ca 0.00 -0.61 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 1yjx s PHE 52 Cb -0.08 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 42.05 1yjx s PHE 52 CO 0.01 0.45 0.00 -0.25 0.70 0.00 0.00 175.22 176.13 1yjx n ASP 53 N -0.77 4.99 -3.64 1.36 8.00 0.61 -4.91 116.55 122.20 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 0.85 -0.07 0.00 -0.02 0.00 0.00 41.12 42.52 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 -2.00 0.02 0.06 0.53 2.07 -1.21 -4.25 121.20 116.42 1yjx s ILE 54 Ca 0.00 -0.16 0.08 0.00 -1.41 0.00 0.00 60.65 59.16 1yjx s ILE 54 Cb 0.00 -0.82 -0.03 0.00 0.13 0.00 0.00 42.46 41.74 1yjx s ILE 54 CO 0.00 -0.09 -0.21 0.00 -1.91 0.00 0.00 174.94 172.73 1yjx s PHE 56 N -0.90 1.45 0.30 0.00 0.40 -0.39 -0.28 117.98 118.56 1yjx s PHE 56 Ca 0.07 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 55.95 1yjx s PHE 56 Cb -0.09 -1.00 -0.01 0.00 0.51 0.00 0.00 43.02 42.43 1yjx s PHE 56 CO 0.02 -0.15 0.42 -0.08 0.70 0.00 0.00 175.22 176.13 1yjx s THR 57 N 0.14 0.00 0.00 0.64 -1.32 -0.37 -1.38 115.64 113.35 1yjx s THR 57 Ca -0.05 -1.63 0.00 0.00 -1.21 0.00 0.00 61.69 58.80 1yjx s THR 57 Cb -0.11 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.36 1yjx s THR 57 CO 0.02 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 170.89 1yjx n SER 58 N -1.04 0.00 -1.20 8.08 3.41 -1.25 -1.09 113.62 120.53 1yjx n SER 58 Ca 0.01 -0.65 -0.01 0.00 -0.26 0.00 0.00 58.87 57.96 1yjx n SER 58 Cb 0.62 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.80 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 -1.18 2.53 -4.53 -3.33 0.24 -1.24 -4.03 118.33 106.79 1yjx n VAL 59 Ca 0.00 -2.27 -0.33 0.00 -2.04 0.00 0.00 64.34 59.69 1yjx n VAL 59 Cb 0.00 -0.31 -0.13 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 -3.08 3.53 0.06 7.34 -0.21 -1.26 -5.04 119.66 121.00 1yjx s GLN 60 Ca 0.45 -0.60 -0.11 0.00 0.02 0.00 0.00 55.36 55.12 1yjx s GLN 60 Cb 0.39 -2.80 -0.03 0.00 1.00 0.00 0.00 33.01 31.58 1yjx s GLN 60 CO 0.05 0.20 1.03 1.63 -2.12 0.00 0.00 175.29 176.08 1yjx n LYS 61 N 3.62 -0.16 -0.39 2.91 5.02 -1.26 -1.23 118.16 126.66 1yjx n LYS 61 Ca -0.18 1.01 0.31 0.00 -2.02 0.00 0.00 58.31 57.44 1yjx n LYS 61 Cb 0.52 -1.51 0.59 0.00 -0.02 0.00 0.00 35.03 34.62 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 0.19 0.00 1.97 0.11 -1.88 0.89 114.38 115.66 1yjx h ARG 62 Ca 0.06 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.09 1yjx h ARG 62 Cb 0.15 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 1yjx h ARG 62 CO -0.35 0.13 -0.20 0.00 0.10 0.00 0.00 179.97 179.65 1yjx h ALA 63 N 1.62 0.04 -0.35 0.08 0.00 -1.49 -2.96 119.26 116.21 1yjx h ALA 63 Ca 0.74 -0.55 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1yjx h ALA 63 Cb 2.17 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 20.02 1yjx h ALA 63 CO -0.39 0.12 -0.05 0.82 0.00 0.00 0.00 179.25 179.75 1yjx h ILE 64 N -1.00 0.68 -0.49 0.00 2.04 0.16 0.57 117.51 119.47 1yjx h ILE 64 Ca -0.05 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1yjx h ILE 64 Cb 0.92 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1yjx h ILE 64 CO -0.03 0.01 0.29 -0.09 0.00 0.00 0.00 178.15 178.32 1yjx h ARG 65 N 0.04 0.66 -0.36 2.37 2.43 0.59 0.74 114.38 120.85 1yjx h ARG 65 Ca 0.17 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1yjx h ARG 65 Cb 0.25 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 1yjx h ARG 65 CO -0.33 0.47 0.11 1.15 -1.51 0.00 0.00 179.97 179.86 1yjx h THR 66 N 0.68 1.21 0.20 0.20 2.02 -0.94 -0.50 112.91 115.77 1yjx h THR 66 Ca 0.18 -0.70 0.01 0.00 0.77 0.00 0.00 66.41 66.66 1yjx h THR 66 Cb -0.01 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1yjx h THR 66 CO -0.03 0.24 -0.22 0.25 0.37 0.00 0.00 175.52 176.13 1yjx h LEU 67 N 0.44 -0.60 -0.39 2.58 6.46 0.32 -1.11 115.31 123.01 1yjx h LEU 67 Ca 0.12 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 58.01 1yjx h LEU 67 Cb 0.27 0.21 -0.08 0.00 -0.73 0.00 0.00 40.66 40.33 1yjx h LEU 67 CO -0.00 -0.32 -0.11 -0.50 -0.62 0.00 0.00 178.44 176.89 1yjx h TRP 68 N -0.46 -0.24 -0.65 1.25 4.06 -0.75 0.15 115.95 119.31 1yjx h TRP 68 Ca 0.00 0.04 0.04 0.00 2.06 0.00 0.00 58.89 61.03 1yjx h TRP 68 Cb 0.44 0.16 -0.05 0.00 -1.00 0.00 0.00 29.16 28.72 1yjx h TRP 68 CO -0.17 -0.18 0.38 1.15 -3.56 0.00 0.00 178.44 176.06 1yjx h THR 69 N -0.02 1.02 0.14 1.49 2.02 -0.80 0.60 112.91 117.37 1yjx h THR 69 Ca 0.19 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1yjx h THR 69 Cb 0.30 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1yjx h THR 69 CO -0.41 0.13 -0.07 0.58 0.37 0.00 0.00 175.52 176.13 1yjx h VAL 70 N 0.72 0.95 -0.97 3.16 2.07 -0.16 -0.54 116.25 121.48 1yjx h VAL 70 Ca 0.28 -0.41 0.11 0.00 0.82 0.00 0.00 66.70 67.50 1yjx h VAL 70 Cb 0.11 1.21 -0.08 0.00 -1.52 0.00 0.00 31.29 31.01 1yjx h VAL 70 CO -0.15 0.10 0.61 -0.07 0.02 0.00 0.00 177.57 178.08 1yjx h LEU 71 N -0.38 0.90 -0.19 2.57 3.38 -0.42 -0.38 115.31 120.78 1yjx h LEU 71 Ca -0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1yjx h LEU 71 Cb 0.30 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1yjx h LEU 71 CO 0.03 0.49 0.08 -0.78 0.09 0.00 0.00 178.44 178.35 1yjx h ASP 72 N 0.98 0.26 -0.95 -0.43 -0.00 -0.69 0.11 116.42 115.70 1yjx h ASP 72 Ca 0.47 -0.16 0.03 0.00 -0.00 0.00 0.00 57.03 57.38 1yjx h ASP 72 Cb 0.44 -0.07 -0.05 0.00 -0.00 0.00 0.00 39.33 39.65 1yjx h ASP 72 CO -0.25 0.34 0.63 0.00 -0.00 0.00 0.00 179.24 179.96 1yjx h ALA 73 N 0.92 1.37 -0.49 -0.78 0.00 0.25 -2.21 119.26 118.32 1yjx h ALA 73 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1yjx h ALA 73 Cb 0.16 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1yjx h ALA 73 CO -0.01 0.55 0.00 0.44 0.00 0.00 0.00 179.25 180.23 1yjx n ILE 74 N -4.43 2.04 -3.94 0.00 -5.35 -0.29 -4.81 119.36 102.59 1yjx n ILE 74 Ca 0.12 -1.09 -0.31 0.00 -0.27 0.00 0.00 62.75 61.20 1yjx n ILE 74 Cb 0.08 -0.21 -0.00 0.00 -1.74 0.00 0.00 39.64 37.76 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 0.63 -2.21 -2.83 7.28 4.64 -0.72 -4.90 116.55 118.45 1yjx n ASP 75 Ca 0.22 -1.09 -0.00 0.00 -1.38 0.00 0.00 54.79 52.54 1yjx n ASP 75 Cb 0.95 -2.75 0.05 0.00 -1.04 0.00 0.00 41.12 38.32 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 -4.47 1.74 0.19 -0.67 6.02 0.32 -4.86 117.38 115.64 1yjx n GLN 76 Ca -0.22 -3.51 0.14 0.00 -0.01 0.00 0.00 57.00 53.40 1yjx n GLN 76 Cb 0.64 -1.61 0.63 0.00 1.02 0.00 0.00 30.24 30.93 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 2.61 0.00 -0.00 -1.09 2.86 -1.91 -2.15 114.93 115.25 1yjx h MET 77 Ca -0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1yjx h MET 77 Cb 1.27 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.93 1yjx h MET 77 CO 0.19 0.00 -0.06 -2.67 1.06 0.00 0.00 176.91 175.43 1yjx n TRP 78 N -2.48 0.00 -1.83 -0.22 4.27 -1.26 -4.88 117.44 111.04 1yjx n TRP 78 Ca 0.00 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.22 1yjx n TRP 78 Cb 0.17 -0.47 0.02 0.00 -1.36 0.00 0.00 31.31 29.67 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 -2.99 4.06 0.24 5.67 1.43 -0.81 -4.95 118.68 121.33 1yjx s LEU 79 Ca 0.14 2.85 -0.30 0.00 -1.03 0.00 0.00 54.13 55.80 1yjx s LEU 79 Cb 0.19 -4.01 -0.09 0.00 0.03 0.00 0.00 46.19 42.31 1yjx s LEU 79 CO 0.55 -1.23 1.14 -2.16 0.23 0.00 0.00 176.35 174.88 1yjx s PRO 80 N -2.54 4.57 -0.01 1.29 0.04 -1.26 -4.90 135.00 132.19 1yjx s PRO 80 Ca 0.63 1.84 0.06 0.00 0.04 0.00 0.00 61.00 63.57 1yjx s PRO 80 Cb -0.42 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 30.89 1yjx s PRO 80 CO 0.53 0.08 -0.19 0.14 0.04 0.00 0.00 177.00 177.60 1yjx s VAL 81 N -0.69 1.50 -0.14 -0.36 -7.23 -1.26 -1.16 120.40 111.05 1yjx s VAL 81 Ca 0.48 -0.84 0.02 0.00 -1.81 0.00 0.00 61.98 59.83 1yjx s VAL 81 Cb -0.32 -1.25 0.00 0.00 0.56 0.00 0.00 36.38 35.37 1yjx s VAL 81 CO 0.40 0.40 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.70 1yjx s VAL 82 N -0.48 2.29 0.01 1.32 1.01 0.61 -4.96 120.40 120.21 1yjx s VAL 82 Ca 0.07 -0.91 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 1yjx s VAL 82 Cb -0.07 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1yjx s VAL 82 CO -0.01 0.54 0.12 -0.13 0.00 0.00 0.00 175.10 175.62 1yjx s ARG 83 N 0.71 3.17 -0.23 2.72 0.52 -1.26 -1.23 118.95 123.35 1yjx s ARG 83 Ca -0.09 -0.46 -0.18 0.00 -0.52 0.00 0.00 55.73 54.49 1yjx s ARG 83 Cb -0.16 -2.92 0.06 0.00 0.52 0.00 0.00 34.95 32.45 1yjx s ARG 83 CO 0.01 0.64 0.60 -0.08 0.02 0.00 0.00 175.30 176.49 1yjx s THR 84 N -1.27 -0.00 0.43 0.02 -1.32 -0.25 -4.95 115.64 108.31 1yjx s THR 84 Ca 0.25 0.01 0.34 0.00 -1.21 0.00 0.00 61.69 61.09 1yjx s THR 84 Cb -0.12 -0.85 0.36 0.00 -1.51 0.00 0.00 72.50 70.38 1yjx s THR 84 CO 0.17 0.01 2.15 4.11 -2.21 0.00 0.00 174.62 178.85 1yjx h TRP 85 N 5.96 0.00 0.00 9.09 5.08 -1.89 -2.21 115.95 131.98 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 0.05 0.00 0.54 -1.28 0.00 0.00 178.44 178.03 1yjx n ARG 86 N -3.38 0.15 -0.22 0.12 1.74 -1.26 -0.31 116.66 113.50 1yjx n ARG 86 Ca -0.02 0.57 0.10 0.00 -0.77 0.00 0.00 57.85 57.73 1yjx n ARG 86 Cb 0.19 -1.92 0.21 0.00 -1.02 0.00 0.00 32.46 29.93 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 -2.22 3.30 -4.64 0.55 4.77 -0.83 -3.88 117.00 114.05 1yjx n LEU 87 Ca -0.00 -1.72 -0.31 0.00 -0.03 0.00 0.00 56.01 53.95 1yjx n LEU 87 Cb 0.09 -0.28 0.19 0.00 -2.33 0.00 0.00 43.42 41.08 1yjx n LEU 87 CO 0.12 0.77 0.65 0.20 -1.33 0.00 0.00 177.39 177.80 1yjx s ASN 88 N -1.16 2.49 0.86 -1.43 -0.87 0.57 -4.31 114.94 111.08 1yjx s ASN 88 Ca 0.35 2.10 -0.11 0.00 -1.57 0.00 0.00 52.86 53.63 1yjx s ASN 88 Cb 0.19 -2.53 0.11 0.00 -0.02 0.00 0.00 41.25 39.00 1yjx s ASN 88 CO 0.26 -3.36 1.10 -0.70 -2.57 0.00 0.00 177.10 171.84 1yjx s GLU 89 N -4.60 1.54 0.23 -0.60 2.56 -1.26 -4.41 118.70 112.16 1yjx s GLU 89 Ca 0.67 1.21 -0.30 0.00 0.00 0.00 0.00 54.97 56.55 1yjx s GLU 89 Cb -0.23 -1.81 -0.10 0.00 2.00 0.00 0.00 34.13 33.99 1yjx s GLU 89 CO 0.59 -2.16 1.41 0.50 -0.56 0.00 0.00 175.26 175.04 1yjx s ARG 90 N -4.81 4.30 -0.07 4.30 3.52 -1.26 -4.65 118.95 120.28 1yjx s ARG 90 Ca 0.64 2.24 -0.30 0.00 -0.13 0.00 0.00 55.73 58.17 1yjx s ARG 90 Cb -0.19 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 1yjx s ARG 90 CO 0.57 -0.38 1.47 -1.58 -0.81 0.00 0.00 175.30 174.57 1yjx s HIS 91 N 0.08 2.48 -0.75 5.12 5.65 -1.26 -4.27 115.29 122.33 1yjx s HIS 91 Ca 0.59 0.60 0.08 0.00 0.25 0.00 0.00 55.06 56.59 1yjx s HIS 91 Cb -0.40 -3.73 0.44 0.00 -1.18 0.00 0.00 32.58 27.70 1yjx s HIS 91 CO 0.41 -2.84 1.19 0.66 -0.65 0.00 0.00 174.74 173.52 1yjx n TYR 92 N 6.47 1.07 -0.86 3.88 4.01 -1.26 -0.59 117.16 129.88 1yjx n TYR 92 Ca 0.15 -0.38 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 1yjx n TYR 92 Cb 0.44 -0.29 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 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 0.43 1.34 0.35 2.72 0.00 -1.24 -1.64 105.19 107.14 1yjx n GLY 93 Ca 0.15 -0.39 0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.31 0.60 103.07 105.34 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 -9.27 3.11 3.38 -1.52 -3.44 115.31 107.57 1yjx h LEU 95 Ca 0.05 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.35 1yjx h LEU 95 Cb 0.63 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.42 1yjx h LEU 95 CO -0.00 0.00 0.75 0.41 0.09 0.00 0.00 178.44 179.69 1yjx n THR 96 N -2.76 0.18 0.00 0.22 -1.04 0.20 -1.00 114.28 110.08 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 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 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 3.01 3.77 3.41 0.00 0.48 -4.92 105.19 114.41 1yjx n GLY 97 Ca 0.21 0.00 -0.35 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 3.65 -0.02 0.99 1.43 -0.17 -4.66 118.68 119.90 1yjx s LEU 98 Ca 0.00 2.14 -0.30 0.00 -1.03 0.00 0.00 54.13 54.94 1yjx s LEU 98 Cb 0.00 -4.57 -0.03 0.00 0.03 0.00 0.00 46.19 41.62 1yjx s LEU 98 CO 0.00 -1.34 1.04 0.21 0.23 0.00 0.00 176.35 176.49 1yjx s ASN 99 N -1.98 7.27 0.20 2.29 3.84 -1.26 -1.71 114.94 123.59 1yjx s ASN 99 Ca 0.71 1.70 -0.10 0.00 0.21 0.00 0.00 52.86 55.38 1yjx s ASN 99 Cb -0.23 -2.57 0.21 0.00 -0.55 0.00 0.00 41.25 38.12 1yjx s ASN 99 CO 0.31 -0.36 1.80 0.11 -2.79 0.00 0.00 177.10 176.16 1yjx h LYS 100 N 6.93 0.61 -0.28 0.43 1.57 -1.42 -0.44 116.57 123.96 1yjx h LYS 100 Ca -0.38 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1yjx h LYS 100 Cb 1.20 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 1yjx h LYS 100 CO 0.80 0.40 0.16 0.00 -0.57 0.00 0.00 179.45 180.24 1yjx h ALA 101 N 1.33 0.36 -0.66 3.86 0.00 -1.93 -1.45 119.26 120.77 1yjx h ALA 101 Ca 0.28 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1yjx h ALA 101 Cb 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1yjx h ALA 101 CO -0.18 -0.11 0.12 0.93 0.00 0.00 0.00 179.25 180.00 1yjx h GLU 102 N 0.35 1.09 -0.94 0.00 5.08 -1.88 -1.61 114.58 116.67 1yjx h GLU 102 Ca 0.10 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1yjx h GLU 102 Cb 0.05 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 1yjx h GLU 102 CO -0.02 1.00 0.56 1.15 -1.00 0.00 0.00 179.01 180.71 1yjx h THR 103 N 1.01 1.26 -0.62 1.13 2.02 -0.87 0.44 112.91 117.28 1yjx h THR 103 Ca 0.20 -0.57 -0.07 0.00 0.77 0.00 0.00 66.41 66.74 1yjx h THR 103 Cb 0.43 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 1yjx h THR 103 CO 0.01 0.27 0.11 0.00 0.37 0.00 0.00 175.52 176.29 1yjx h ALA 104 N 1.31 1.03 -0.20 6.16 0.00 -0.95 -2.12 119.26 124.49 1yjx h ALA 104 Ca 0.34 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1yjx h ALA 104 Cb -0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1yjx h ALA 104 CO -0.06 0.62 -0.18 0.00 0.00 0.00 0.00 179.25 179.63 1yjx h ALA 105 N 1.18 0.29 -0.33 0.00 0.00 -0.27 -1.19 119.26 118.93 1yjx h ALA 105 Ca 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1yjx h ALA 105 Cb 0.39 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1yjx h ALA 105 CO 0.01 0.20 0.00 0.36 0.00 0.00 0.00 179.25 179.82 1yjx n LYS 106 N -4.47 1.82 0.00 0.00 2.85 0.14 -4.10 118.16 114.40 1yjx n LYS 106 Ca -0.05 -1.21 0.00 0.00 -1.05 0.00 0.00 58.31 56.00 1yjx n LYS 106 Cb 0.39 -1.29 0.00 0.00 -0.65 0.00 0.00 35.03 33.48 1yjx n LYS 106 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1yjx n HIS 107 N 0.47 0.00 0.00 5.58 8.25 -0.81 -5.02 115.22 123.69 1yjx n HIS 107 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 1yjx n HIS 107 Cb 0.30 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 0.00 2.59 0.19 -1.41 0.00 -0.48 -4.45 105.19 101.64 1yjx n GLY 108 Ca 0.00 -1.42 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 1yjx n GLY 108 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1yjx h GLU 109 N 0.00 -0.13 -0.15 1.61 4.39 -1.84 -2.53 114.58 115.94 1yjx h GLU 109 Ca 0.00 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.74 1yjx h GLU 109 Cb 0.00 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.62 1yjx h GLU 109 CO 0.00 -0.09 -0.50 0.00 -1.16 0.00 0.00 179.01 177.27 1yjx h ALA 110 N 1.01 -0.84 -0.58 3.43 0.00 -1.89 -1.75 119.26 118.63 1yjx h ALA 110 Ca 0.12 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1yjx h ALA 110 Cb 0.31 0.99 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 1yjx h ALA 110 CO -0.29 -1.03 -0.56 0.37 0.00 0.00 0.00 179.25 177.74 1yjx h GLN 111 N -0.51 -0.27 -1.00 0.00 5.75 -1.70 0.16 115.11 117.53 1yjx h GLN 111 Ca 0.03 0.02 0.21 0.00 -0.15 0.00 0.00 58.65 58.76 1yjx h GLN 111 Cb 0.61 0.06 -0.11 0.00 1.07 0.00 0.00 27.48 29.11 1yjx h GLN 111 CO -0.42 -0.18 0.61 0.28 -2.65 0.00 0.00 178.83 176.47 1yjx h VAL 112 N -0.28 0.66 -0.21 2.39 2.07 -1.10 0.24 116.25 120.01 1yjx h VAL 112 Ca 0.10 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1yjx h VAL 112 Cb 0.54 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1yjx h VAL 112 CO -0.70 0.13 0.14 0.11 0.02 0.00 0.00 177.57 177.28 1yjx h LYS 113 N 0.70 0.22 -0.05 1.57 6.56 -0.08 0.53 116.57 126.02 1yjx h LYS 113 Ca 0.59 -0.01 -0.09 0.00 -1.06 0.00 0.00 60.65 60.07 1yjx h LYS 113 Cb 1.00 -0.05 0.01 0.00 -0.57 0.00 0.00 32.23 32.62 1yjx h LYS 113 CO -0.39 0.14 -0.34 0.82 -2.06 0.00 0.00 179.45 177.62 1yjx h ILE 114 N 0.22 1.44 -0.40 1.86 1.08 -0.18 0.28 117.51 121.82 1yjx h ILE 114 Ca 0.08 -1.80 -0.07 0.00 -0.39 0.00 0.00 64.86 62.69 1yjx h ILE 114 Cb 0.07 2.43 -0.02 0.00 -3.07 0.00 0.00 36.82 36.23 1yjx h ILE 114 CO -0.02 0.51 -0.04 -0.50 -0.69 0.00 0.00 178.15 177.41 1yjx h TRP 115 N -0.21 0.71 0.14 1.37 6.55 -0.67 -0.53 115.95 123.32 1yjx h TRP 115 Ca -0.03 -0.10 -0.33 0.00 0.95 0.00 0.00 58.89 59.38 1yjx h TRP 115 Cb 1.01 -0.20 -0.00 0.00 -0.86 0.00 0.00 29.16 29.11 1yjx h TRP 115 CO 0.14 0.70 -1.74 0.00 -1.05 0.00 0.00 178.44 176.49 1yjx h ARG 116 N 0.63 0.30 -0.01 0.49 3.08 0.01 -3.41 114.38 115.46 1yjx h ARG 116 Ca 0.12 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1yjx h ARG 116 Cb 0.46 0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1yjx h ARG 116 CO 0.02 1.24 -0.19 0.54 -1.07 0.00 0.00 179.97 180.52 1yjx n ARG 117 N -3.67 1.60 -2.63 0.04 5.12 1.00 -5.01 116.66 113.11 1yjx n ARG 117 Ca -0.28 -0.87 -0.33 0.00 -1.93 0.00 0.00 57.85 54.43 1yjx n ARG 117 Cb 1.01 -1.20 -0.05 0.00 -1.16 0.00 0.00 32.46 31.06 1yjx n ARG 117 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1yjx s SER 118 N -1.47 6.60 0.00 0.55 1.04 -0.21 -4.90 113.70 115.31 1yjx s SER 118 Ca 0.12 1.79 -0.18 0.00 0.48 0.00 0.00 55.95 58.16 1yjx s SER 118 Cb 0.11 -2.55 -0.33 0.00 0.10 0.00 0.00 66.02 63.35 1yjx s SER 118 CO 0.28 -0.60 0.98 0.22 0.98 0.00 0.00 173.24 175.10 1yjx h TYR 119 N 1.61 0.83 0.00 5.02 3.20 -1.93 -3.40 116.97 122.29 1yjx h TYR 119 Ca -0.49 -0.59 0.00 0.00 3.14 0.00 0.00 58.73 60.79 1yjx h TYR 119 Cb 1.20 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1yjx h TYR 119 CO 0.60 1.45 -0.02 -0.40 -1.64 0.00 0.00 178.16 178.15 1yjx n ASP 120 N -3.89 2.00 -4.35 -2.11 5.68 -1.26 -1.11 116.55 111.52 1yjx n ASP 120 Ca -0.15 -2.45 -0.44 0.00 -0.50 0.00 0.00 54.79 51.25 1yjx n ASP 120 Cb 0.98 -0.20 -0.08 0.00 -1.14 0.00 0.00 41.12 40.68 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 -1.76 4.98 0.61 2.12 1.01 -1.26 -4.90 120.40 121.19 1yjx s VAL 121 Ca 0.14 -1.22 -0.16 0.00 0.00 0.00 0.00 61.98 60.74 1yjx s VAL 121 Cb 0.13 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1yjx s VAL 121 CO 0.01 -0.61 1.10 -2.16 0.00 0.00 0.00 175.10 173.45 1yjx s PRO 122 N 1.58 3.09 0.95 2.72 0.04 -1.26 -4.66 135.00 137.46 1yjx s PRO 122 Ca 0.04 1.41 -0.14 0.00 0.04 0.00 0.00 61.00 62.35 1yjx s PRO 122 Cb -0.25 -1.99 0.16 0.00 0.04 0.00 0.00 34.50 32.47 1yjx s PRO 122 CO 0.05 -1.02 1.16 -1.25 0.04 0.00 0.00 177.00 175.98 1yjx s PRO 123 N -3.85 0.81 0.49 0.56 0.04 -1.26 -4.96 135.00 126.84 1yjx s PRO 123 Ca 0.68 0.14 -0.23 0.00 0.04 0.00 0.00 61.00 61.63 1yjx s PRO 123 Cb -0.20 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 1yjx s PRO 123 CO 0.36 -2.39 1.08 -2.30 0.04 0.00 0.00 177.00 173.79 1yjx n PRO 124 N -3.87 1.38 -1.83 0.56 -0.02 -1.26 -4.78 135.00 125.19 1yjx n PRO 124 Ca 0.09 0.50 -0.35 0.00 -2.02 0.00 0.00 63.50 61.72 1yjx n PRO 124 Cb 0.59 -2.20 0.05 0.00 -0.02 0.00 0.00 33.50 31.92 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 -2.35 2.73 -0.53 0.52 0.02 -1.26 0.07 135.00 134.20 1yjx s PRO 125 Ca 0.67 1.76 -0.24 0.00 0.02 0.00 0.00 61.00 63.22 1yjx s PRO 125 Cb -0.49 -1.90 0.04 0.00 0.02 0.00 0.00 34.50 32.17 1yjx s PRO 125 CO 0.54 -1.38 0.89 1.41 -0.33 0.00 0.00 177.00 178.12 1yjx s MET 126 N -3.57 3.33 0.57 5.54 1.75 0.53 -3.16 119.30 124.29 1yjx s MET 126 Ca 0.76 -0.28 -0.17 0.00 -1.25 0.00 0.00 55.69 54.74 1yjx s MET 126 Cb -0.29 -4.04 -0.05 0.00 2.84 0.00 0.00 34.83 33.30 1yjx s MET 126 CO 0.37 -1.39 1.06 -1.21 -0.65 0.00 0.00 175.02 173.20 1yjx s GLU 127 N 3.71 3.41 0.59 4.11 0.41 -1.26 -4.91 118.70 124.76 1yjx s GLU 127 Ca 0.29 1.25 0.28 0.00 -0.41 0.00 0.00 54.97 56.38 1yjx s GLU 127 Cb -0.13 -2.04 1.52 0.00 -1.78 0.00 0.00 34.13 31.69 1yjx s GLU 127 CO 0.19 -0.74 1.84 -1.35 -0.49 0.00 0.00 175.26 174.71 1yjx h PRO 128 N 0.69 0.00 -0.64 0.39 0.11 -1.99 0.25 132.00 130.82 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 1.22 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 -2.72 3.59 -4.76 -2.05 5.75 -1.26 -4.80 116.55 110.29 1yjx n ASP 129 Ca -0.02 -1.99 -0.40 0.00 -0.01 0.00 0.00 54.79 52.37 1yjx n ASP 129 Cb 0.32 -0.42 -0.03 0.00 -1.03 0.00 0.00 41.12 39.96 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 -1.15 3.33 0.62 2.11 2.46 0.88 -4.90 115.29 118.63 1yjx s HIS 130 Ca 0.44 1.60 0.27 0.00 0.47 0.00 0.00 55.06 57.85 1yjx s HIS 130 Cb 0.23 -3.39 1.39 0.00 -0.13 0.00 0.00 32.58 30.68 1yjx s HIS 130 CO 0.31 -1.02 1.80 -1.35 -2.47 0.00 0.00 174.74 172.00 1yjx h PRO 131 N 3.39 0.00 -0.02 2.88 0.11 -1.92 -1.29 132.00 135.15 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 0.65 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.63 1yjx n PHE 132 N -3.37 0.05 0.15 0.65 3.72 -1.26 -4.78 117.46 112.62 1yjx n PHE 132 Ca 0.06 -0.76 -0.14 0.00 -0.05 0.00 0.00 57.45 56.57 1yjx n PHE 132 Cb 0.69 -0.11 -0.08 0.00 -0.94 0.00 0.00 39.48 39.04 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 0.13 -1.24 -0.38 1.38 3.20 -1.50 -0.90 116.97 117.67 1yjx h TYR 133 Ca 0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1yjx h TYR 133 Cb 0.78 0.51 -0.02 0.00 1.54 0.00 0.00 36.73 39.55 1yjx h TYR 133 CO 0.03 -0.52 0.21 0.77 -1.64 0.00 0.00 178.16 177.00 1yjx h SER 134 N -0.71 0.48 -1.00 -2.11 0.02 -1.87 0.19 113.55 108.54 1yjx h SER 134 Ca -0.02 -0.09 0.20 0.00 -0.84 0.00 0.00 61.79 61.04 1yjx h SER 134 Cb 0.67 -0.12 -0.11 0.00 0.14 0.00 0.00 62.40 62.98 1yjx h SER 134 CO -0.17 0.43 0.61 -1.13 -1.14 0.00 0.00 176.83 175.43 1yjx h ASN 135 N 0.49 0.75 0.00 3.07 -0.73 -1.82 -1.53 115.58 115.81 1yjx h ASN 135 Ca 0.13 0.10 0.00 0.00 1.87 0.00 0.00 56.30 58.41 1yjx h ASN 135 Cb 0.06 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.62 1yjx h ASN 135 CO -0.02 0.23 0.00 -0.38 -0.37 0.00 0.00 177.43 176.89 1yjx n ILE 136 N -4.78 0.00 0.12 2.57 2.08 -0.36 -4.17 119.36 114.82 1yjx n ILE 136 Ca 0.24 0.19 0.18 0.00 0.56 0.00 0.00 62.75 63.92 1yjx n ILE 136 Cb 0.62 -1.02 0.76 0.00 -0.75 0.00 0.00 39.64 39.24 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 -0.50 4.38 4.64 -1.09 -0.89 113.55 120.08 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 2.56 -2.08 4.77 4.76 -0.59 -4.93 118.16 118.66 1yjx n LYS 138 Ca 0.05 -2.38 -0.42 0.00 -2.87 0.00 0.00 58.31 52.69 1yjx n LYS 138 Cb 0.46 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 32.09 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 -1.32 6.73 0.36 4.39 3.68 -0.34 -4.87 116.67 125.29 1yjx s ASP 139 Ca 0.42 2.33 0.17 0.00 2.13 0.00 0.00 52.55 57.60 1yjx s ASP 139 Cb 0.24 -2.57 1.22 0.00 -1.45 0.00 0.00 42.92 40.36 1yjx s ASP 139 CO 0.32 -0.79 1.58 -0.09 0.13 0.00 0.00 175.17 176.33 1yjx h ARG 140 N 7.83 0.02 -1.00 4.34 2.43 -1.92 -0.22 114.38 125.87 1yjx h ARG 140 Ca -0.41 -0.00 0.38 0.00 -0.81 0.00 0.00 59.98 59.14 1yjx h ARG 140 Cb 1.19 -0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 30.56 1yjx h ARG 140 CO 0.91 0.01 0.43 -0.09 -1.51 0.00 0.00 179.97 179.72 1yjx h ARG 141 N 0.02 0.03 -0.50 0.20 2.43 -1.94 0.20 114.38 114.83 1yjx h ARG 141 Ca 0.80 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.96 1yjx h ARG 141 Cb 2.03 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.57 1yjx h ARG 141 CO -0.79 0.02 0.00 0.66 -1.51 0.00 0.00 179.97 178.35 1yjx n TYR 142 N -5.29 1.61 -0.29 2.20 4.01 -0.09 -4.68 117.16 114.62 1yjx n TYR 142 Ca 0.34 -0.74 0.14 0.00 -0.16 0.00 0.00 57.90 57.49 1yjx n TYR 142 Cb 1.15 -0.39 0.40 0.00 -0.31 0.00 0.00 39.34 40.18 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 3.35 1.90 -0.04 -0.72 0.00 -1.04 -1.87 119.26 120.84 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 1.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1yjx h ALA 143 CO 0.36 -0.20 0.00 -0.25 0.00 0.00 0.00 179.25 179.16 1yjx n ASP 144 N -4.60 0.71 -4.78 0.00 8.00 -1.26 -4.85 116.55 109.78 1yjx n ASP 144 Ca 0.20 -1.38 -0.39 0.00 0.71 0.00 0.00 54.79 53.92 1yjx n ASP 144 Cb 0.57 -0.02 -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 -1.80 4.57 1.12 0.64 1.43 -0.71 -5.05 118.68 118.89 1yjx s LEU 145 Ca 0.37 1.59 -0.16 0.00 -1.03 0.00 0.00 54.13 54.90 1yjx s LEU 145 Cb 0.18 -3.25 0.25 0.00 0.03 0.00 0.00 46.19 43.40 1yjx s LEU 145 CO 0.30 0.20 1.10 0.42 0.23 0.00 0.00 176.35 178.60 1yjx s THR 146 N -1.03 1.77 0.45 5.49 -4.23 -1.26 -4.74 115.64 112.09 1yjx s THR 146 Ca 0.35 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 61.03 1yjx s THR 146 Cb -0.23 -2.49 0.20 0.00 1.34 0.00 0.00 72.50 71.32 1yjx s THR 146 CO 0.25 0.00 2.01 1.05 -0.54 0.00 0.00 174.62 177.39 1yjx h GLU 147 N -2.31 0.00 0.19 3.99 9.09 -1.96 -2.45 114.58 121.12 1yjx h GLU 147 Ca -0.49 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 58.61 1yjx h GLU 147 Cb 1.31 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 28.44 1yjx h GLU 147 CO 0.44 0.17 -1.36 -0.44 0.05 0.00 0.00 179.01 177.88 1yjx h ASP 148 N 0.00 0.74 -0.20 3.06 3.32 -2.03 -3.35 116.42 117.96 1yjx h ASP 148 Ca -0.00 -0.76 -0.02 0.00 0.02 0.00 0.00 57.03 56.26 1yjx h ASP 148 Cb 0.32 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1yjx h ASP 148 CO 0.02 1.59 0.02 1.56 -1.72 0.00 0.00 179.24 180.71 1yjx h GLN 149 N 0.16 0.33 -6.14 3.56 4.20 -1.83 -3.41 115.11 111.99 1yjx h GLN 149 Ca -0.21 -0.09 -0.58 0.00 0.06 0.00 0.00 58.65 57.83 1yjx h GLN 149 Cb 2.05 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.78 1yjx h GLN 149 CO 0.25 0.50 1.37 -1.17 -0.67 0.00 0.00 178.83 179.11 1yjx s LEU 150 N -9.59 3.54 0.49 1.46 1.98 -0.95 -4.95 118.68 110.66 1yjx s LEU 150 Ca -0.14 1.68 -0.08 0.00 -2.89 0.00 0.00 54.13 52.70 1yjx s LEU 150 Cb 0.07 -3.52 -0.05 0.00 0.66 0.00 0.00 46.19 43.35 1yjx s LEU 150 CO 0.72 -1.78 0.84 -2.16 -1.89 0.00 0.00 176.35 172.09 1yjx s PRO 151 N 5.89 3.62 0.00 0.98 0.04 -1.26 -4.95 135.00 139.32 1yjx s PRO 151 Ca 0.90 0.41 0.11 0.00 0.04 0.00 0.00 61.00 62.46 1yjx s PRO 151 Cb -0.29 -2.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.88 1yjx s PRO 151 CO 0.34 -0.24 0.58 -1.13 0.04 0.00 0.00 177.00 176.59 1yjx n SER 152 N -2.11 0.91 0.00 6.66 3.41 -1.26 -4.98 113.62 116.25 1yjx n SER 152 Ca 0.02 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.68 1yjx n SER 152 Cb 0.55 0.74 0.00 0.00 -0.26 0.00 0.00 64.21 65.24 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 0.25 0.36 0.00 2.02 0.24 -4.91 118.70 114.66 1yjx s GLU 154 Ca 0.00 -0.22 0.04 0.00 0.02 0.00 0.00 54.97 54.81 1yjx s GLU 154 Cb 0.00 0.10 -0.01 0.00 0.10 0.00 0.00 34.13 34.32 1yjx s GLU 154 CO 0.00 -0.05 0.53 -1.54 0.02 0.00 0.00 175.26 174.22 1yjx s SER 155 N -0.74 5.99 0.46 -0.19 1.04 -1.26 -4.23 113.70 114.78 1yjx s SER 155 Ca -0.08 0.04 0.17 0.00 0.48 0.00 0.00 55.95 56.55 1yjx s SER 155 Cb -0.05 -1.46 1.13 0.00 0.10 0.00 0.00 66.02 65.74 1yjx s SER 155 CO 0.00 -0.47 1.99 0.25 0.98 0.00 0.00 173.24 176.00 1yjx h LEU 156 N 0.76 0.27 -0.08 2.42 5.85 -1.74 -0.39 115.31 122.39 1yjx h LEU 156 Ca -0.47 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.26 1yjx h LEU 156 Cb 1.25 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1yjx h LEU 156 CO 0.56 0.16 0.04 0.50 -0.34 0.00 0.00 178.44 179.36 1yjx h LYS 157 N 0.29 0.12 -0.73 1.25 3.64 -1.45 -2.14 116.57 117.55 1yjx h LYS 157 Ca 0.26 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.71 1yjx h LYS 157 Cb 0.64 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.36 1yjx h LYS 157 CO -0.06 0.20 0.38 -0.44 -2.27 0.00 0.00 179.45 177.26 1yjx h ASP 158 N 0.02 0.52 0.97 4.20 3.32 -1.37 -2.11 116.42 121.97 1yjx h ASP 158 Ca 0.03 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 1yjx h ASP 158 Cb 0.11 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.63 1yjx h ASP 158 CO -0.00 0.30 -0.46 0.74 -1.72 0.00 0.00 179.24 178.10 1yjx h THR 159 N 0.66 0.02 -1.18 0.35 2.02 -1.13 -2.19 112.91 111.45 1yjx h THR 159 Ca 0.35 -0.04 0.34 0.00 0.77 0.00 0.00 66.41 67.84 1yjx h THR 159 Cb 0.34 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.71 1yjx h THR 159 CO -0.25 0.00 0.84 0.40 0.37 0.00 0.00 175.52 176.88 1yjx h ILE 160 N -1.34 0.41 0.61 3.11 2.04 -1.24 0.23 117.51 121.33 1yjx h ILE 160 Ca -0.13 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 1yjx h ILE 160 Cb 1.00 0.35 0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1yjx h ILE 160 CO 0.22 0.01 -0.29 0.00 0.00 0.00 0.00 178.15 178.08 1yjx h ALA 161 N 1.43 -0.82 0.00 1.87 0.00 -0.77 -1.61 119.26 119.36 1yjx h ALA 161 Ca 0.58 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 1yjx h ALA 161 Cb 2.20 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 20.30 1yjx h ALA 161 CO -0.05 -0.88 -0.27 0.07 0.00 0.00 0.00 179.25 178.12 1yjx h ARG 162 N -0.99 0.00 0.48 0.00 -0.00 -0.47 -3.31 114.38 110.08 1yjx h ARG 162 Ca -0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.87 1yjx h ARG 162 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.65 1yjx h ARG 162 CO 0.14 0.27 -0.23 0.00 -0.00 0.00 0.00 179.97 180.15 1yjx h ALA 163 N 1.73 -0.64 -0.99 0.08 0.00 -0.62 -3.36 119.26 115.46 1yjx h ALA 163 Ca -0.00 -0.14 0.21 0.00 0.00 0.00 0.00 54.91 54.98 1yjx h ALA 163 Cb 0.84 0.25 -0.19 0.00 0.00 0.00 0.00 17.79 18.70 1yjx h ALA 163 CO 0.04 -0.60 -0.19 1.28 0.00 0.00 0.00 179.25 179.78 1yjx n LEU 164 N -5.20 -0.30 -0.16 0.00 4.32 -0.61 -1.07 117.00 113.98 1yjx n LEU 164 Ca -0.08 1.69 -0.03 0.00 -0.02 0.00 0.00 56.01 57.57 1yjx n LEU 164 Cb 0.26 -0.53 0.03 0.00 -1.62 0.00 0.00 43.42 41.55 1yjx n LEU 164 CO 0.19 -1.64 0.75 -0.65 -1.22 0.00 0.00 177.39 174.82 1yjx h PRO 165 N 0.00 -0.03 -0.37 3.23 0.11 -1.71 0.52 132.00 133.76 1yjx h PRO 165 Ca 0.50 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.68 1yjx h PRO 165 Cb 0.83 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.90 1yjx h PRO 165 CO -1.00 -0.02 0.02 0.35 -0.21 0.00 0.00 178.00 177.14 1yjx h PHE 166 N -0.03 0.02 -0.23 0.65 3.57 -1.27 0.60 116.94 120.25 1yjx h PHE 166 Ca 0.24 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.81 1yjx h PHE 166 Cb 0.40 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 1yjx h PHE 166 CO -0.44 -0.05 -0.10 2.35 -2.23 0.00 0.00 178.31 177.83 1yjx h TRP 167 N 0.12 -0.25 -0.17 0.41 2.91 -0.57 0.28 115.95 118.70 1yjx h TRP 167 Ca 0.18 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.18 1yjx h TRP 167 Cb 0.24 0.15 -0.00 0.00 -0.51 0.00 0.00 29.16 29.03 1yjx h TRP 167 CO -0.24 -0.16 -0.05 -0.91 -1.03 0.00 0.00 178.44 176.05 1yjx h ASN 168 N -0.07 0.33 1.22 2.65 2.35 0.89 0.16 115.58 123.11 1yjx h ASN 168 Ca 0.12 -0.38 -0.15 0.00 -0.55 0.00 0.00 56.30 55.34 1yjx h ASN 168 Cb 0.26 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1yjx h ASN 168 CO -0.28 0.63 -0.72 -0.33 -1.65 0.00 0.00 177.43 175.08 1yjx h GLU 169 N 0.03 0.00 0.00 0.81 5.08 0.29 -3.38 114.58 117.42 1yjx h GLU 169 Ca 0.04 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 1yjx h GLU 169 Cb 0.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1yjx h GLU 169 CO 0.02 0.72 -1.52 0.39 -1.00 0.00 0.00 179.01 177.62 1yjx n GLU 170 N -3.31 0.21 -0.05 2.33 -0.58 0.98 -4.74 120.64 115.48 1yjx n GLU 170 Ca 0.01 0.07 -0.07 0.00 -0.42 0.00 0.00 57.16 56.75 1yjx n GLU 170 Cb 0.81 -1.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.62 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 -0.18 0.86 -0.73 -3.67 2.04 -1.21 -3.34 117.51 111.28 1yjx h ILE 171 Ca -0.22 -1.60 0.13 0.00 1.00 0.00 0.00 64.86 64.17 1yjx h ILE 171 Cb 1.26 1.62 -0.14 0.00 -0.74 0.00 0.00 36.82 38.82 1yjx h ILE 171 CO -0.09 0.29 -0.28 0.58 0.00 0.00 0.00 178.15 178.65 1yjx h VAL 172 N -0.99 0.17 -0.65 1.67 2.07 -0.86 -0.00 116.25 117.65 1yjx h VAL 172 Ca -0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1yjx h VAL 172 Cb 0.49 0.17 -0.11 0.00 -1.52 0.00 0.00 31.29 30.32 1yjx h VAL 172 CO 0.00 0.00 0.02 -0.65 0.02 0.00 0.00 177.57 176.96 1yjx h PRO 173 N -0.07 0.12 -0.18 1.57 0.11 -1.75 0.09 132.00 131.90 1yjx h PRO 173 Ca 0.31 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.44 1yjx h PRO 173 Cb 0.57 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 1yjx h PRO 173 CO -0.78 0.08 0.02 1.96 -0.21 0.00 0.00 178.00 179.08 1yjx h GLN 174 N 0.13 0.09 -0.60 1.05 1.08 -1.14 -1.11 115.11 114.60 1yjx h GLN 174 Ca 0.35 -0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.58 1yjx h GLN 174 Cb 0.58 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.94 1yjx h GLN 174 CO -0.55 0.06 0.34 0.82 -0.95 0.00 0.00 178.83 178.55 1yjx h ILE 175 N 0.09 1.02 0.00 2.54 2.04 -0.50 -0.86 117.51 121.84 1yjx h ILE 175 Ca 0.08 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 1yjx h ILE 175 Cb 0.08 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1yjx h ILE 175 CO -0.12 0.12 -0.12 0.11 0.00 0.00 0.00 178.15 178.15 1yjx h LYS 176 N 0.67 0.00 -0.60 2.37 1.57 -0.62 -0.77 116.57 119.19 1yjx h LYS 176 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1yjx h LYS 176 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1yjx h LYS 176 CO -0.13 0.12 0.00 0.39 -0.57 0.00 0.00 179.45 179.25 1yjx n GLU 177 N -3.96 1.91 -0.95 3.15 1.02 -0.40 -4.86 120.64 116.55 1yjx n GLU 177 Ca -0.02 -0.90 0.00 0.00 -0.02 0.00 0.00 57.16 56.22 1yjx n GLU 177 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 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 0.47 0.49 3.71 0.62 0.00 -0.29 -4.99 105.19 105.19 1yjx n GLY 178 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.46 4.41 -0.55 1.61 -0.14 -0.75 -4.96 119.74 118.90 1yjx s LYS 179 Ca 0.00 1.80 -0.28 0.00 -1.36 0.00 0.00 55.97 56.12 1yjx s LYS 179 Cb 0.00 -3.37 0.03 0.00 -1.68 0.00 0.00 37.83 32.81 1yjx s LYS 179 CO 0.00 -0.30 1.17 1.03 -0.76 0.00 0.00 175.35 176.48 1yjx s ARG 180 N 1.23 3.57 0.17 1.68 3.00 -1.26 -4.27 118.95 123.07 1yjx s ARG 180 Ca 0.59 0.32 -0.14 0.00 0.00 0.00 0.00 55.73 56.50 1yjx s ARG 180 Cb -0.30 -3.98 -0.07 0.00 0.00 0.00 0.00 34.95 30.60 1yjx s ARG 180 CO 0.29 -1.59 0.58 0.08 0.00 0.00 0.00 175.30 174.66 1yjx s VAL 181 N 4.77 4.82 -0.11 3.52 1.01 -1.26 -0.28 120.40 132.88 1yjx s VAL 181 Ca 0.44 0.84 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1yjx s VAL 181 Cb -0.07 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.60 1yjx s VAL 181 CO 0.27 0.18 -0.10 -0.22 0.00 0.00 0.00 175.10 175.23 1yjx s LEU 182 N -2.11 1.40 -0.23 3.92 2.96 -0.93 -2.63 118.68 121.07 1yjx s LEU 182 Ca 0.40 -0.34 -0.01 0.00 -0.22 0.00 0.00 54.13 53.96 1yjx s LEU 182 Cb -0.15 -0.91 0.02 0.00 0.50 0.00 0.00 46.19 45.66 1yjx s LEU 182 CO 0.19 -0.07 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.44 1yjx s ILE 183 N 1.40 2.76 -0.37 6.68 1.01 -0.35 -1.27 121.20 131.06 1yjx s ILE 183 Ca -0.00 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 59.60 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 0.28 0.18 0.00 0.00 0.00 0.00 174.94 175.34 1yjx s ALA 184 N 1.33 3.18 0.00 9.38 0.00 -0.48 -0.88 121.76 134.29 1yjx s ALA 184 Ca 0.01 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.09 1yjx s ALA 184 Cb -0.16 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.49 1yjx s ALA 184 CO -0.06 -1.46 0.00 0.00 0.00 0.00 0.00 175.76 174.24 1yjx n ALA 185 N 4.88 0.00 -2.52 0.00 0.00 -0.69 -3.83 120.51 118.36 1yjx n ALA 185 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.08 1yjx n ALA 185 Cb 0.44 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.81 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 1.15 2.59 0.12 0.00 3.76 -1.26 -2.06 115.29 119.59 1yjx s HIS 186 Ca 0.00 -0.45 -0.33 0.00 -0.15 0.00 0.00 55.06 54.13 1yjx s HIS 186 Cb 0.00 -1.59 -0.12 0.00 1.11 0.00 0.00 32.58 31.98 1yjx s HIS 186 CO 0.00 0.41 1.54 0.78 -0.85 0.00 0.00 174.74 176.62 1yjx h GLY 187 N 1.70 -1.07 1.40 -2.22 0.00 -1.96 0.16 103.07 101.09 1yjx h GLY 187 Ca -0.43 0.70 -0.14 0.00 0.00 0.00 0.00 47.33 47.46 1yjx h GLY 187 CO 0.67 -0.17 -0.39 3.43 0.00 0.00 0.00 176.54 180.08 1yjx h ASN 188 N -0.49 0.70 -0.40 0.19 2.35 -1.97 -0.60 115.58 115.35 1yjx h ASN 188 Ca 0.05 -0.31 -0.12 0.00 -0.55 0.00 0.00 56.30 55.37 1yjx h ASN 188 Cb 0.63 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1yjx h ASN 188 CO -0.50 1.01 -0.22 0.77 -1.65 0.00 0.00 177.43 176.83 1yjx h SER 189 N 0.54 0.89 -0.52 5.81 4.64 -1.74 -2.53 113.55 120.64 1yjx h SER 189 Ca 0.05 -0.41 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 1yjx h SER 189 Cb 0.91 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.73 1yjx h SER 189 CO 0.08 1.11 0.21 -0.07 -0.87 0.00 0.00 176.83 177.29 1yjx h LEU 190 N 0.67 0.74 -0.95 5.97 3.38 -0.86 -1.24 115.31 123.03 1yjx h LEU 190 Ca 0.09 -0.10 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1yjx h LEU 190 Cb 0.79 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.27 1yjx h LEU 190 CO 0.06 0.68 0.60 0.03 0.09 0.00 0.00 178.44 179.90 1yjx h ARG 191 N 0.80 0.99 -0.21 1.13 3.08 -0.76 -0.02 114.38 119.39 1yjx h ARG 191 Ca 0.19 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.22 1yjx h ARG 191 Cb 0.18 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1yjx h ARG 191 CO -0.02 0.65 -0.06 0.78 -1.07 0.00 0.00 179.97 180.26 1yjx h GLY 192 N 1.02 0.15 1.00 0.04 0.00 -0.82 0.33 103.07 104.78 1yjx h GLY 192 Ca 0.44 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 1yjx h GLY 192 CO -0.22 -0.09 -0.10 -2.22 0.00 0.00 0.00 176.54 173.92 1yjx h ILE 193 N -0.01 0.79 -0.19 2.60 5.03 -1.06 -1.90 117.51 122.78 1yjx h ILE 193 Ca 0.10 -0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.89 1yjx h ILE 193 Cb 0.17 0.80 -0.05 0.00 -3.03 0.00 0.00 36.82 34.70 1yjx h ILE 193 CO -0.22 0.00 -0.12 0.58 -0.68 0.00 0.00 178.15 177.71 1yjx h VAL 194 N -0.28 0.65 -0.92 1.67 2.07 -0.56 0.89 116.25 119.76 1yjx h VAL 194 Ca -0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.61 1yjx h VAL 194 Cb 0.22 0.65 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 1yjx h VAL 194 CO 0.05 0.00 0.55 0.50 0.02 0.00 0.00 177.57 178.69 1yjx h LYS 195 N -0.11 0.85 -0.01 1.57 3.64 -0.25 0.24 116.57 122.50 1yjx h LYS 195 Ca 0.11 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1yjx h LYS 195 Cb 0.27 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1yjx h LYS 195 CO -0.26 0.56 -0.00 1.25 -2.27 0.00 0.00 179.45 178.74 1yjx h HIS 196 N 0.88 0.01 -0.11 1.91 2.76 -0.46 0.17 115.15 120.31 1yjx h HIS 196 Ca 0.46 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.64 1yjx h HIS 196 Cb 0.48 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.42 1yjx h HIS 196 CO -0.03 0.36 0.03 -0.07 -1.30 0.00 0.00 177.93 176.91 1yjx h LEU 197 N -0.33 0.02 -0.68 0.26 3.38 -0.26 -2.94 115.31 114.76 1yjx h LEU 197 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1yjx h LEU 197 Cb 0.35 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1yjx h LEU 197 CO 0.00 0.03 -0.10 -0.62 0.09 0.00 0.00 178.44 177.84 1yjx n GLU 198 N -5.08 1.24 -3.91 1.13 1.02 0.02 -4.40 120.64 110.65 1yjx n GLU 198 Ca -0.05 -0.68 -0.30 0.00 -0.02 0.00 0.00 57.16 56.12 1yjx n GLU 198 Cb 0.06 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.02 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 1.24 -0.48 3.80 0.62 0.00 0.57 -4.94 105.19 105.99 1yjx n GLY 199 Ca 0.16 0.19 -0.32 0.00 0.00 0.00 0.00 46.02 46.05 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 -7.26 3.36 0.78 0.99 1.43 -0.93 -5.04 118.68 112.01 1yjx s LEU 200 Ca 0.63 1.80 -0.12 0.00 -1.03 0.00 0.00 54.13 55.41 1yjx s LEU 200 Cb -0.32 -4.53 0.06 0.00 0.03 0.00 0.00 46.19 41.44 1yjx s LEU 200 CO 0.83 -1.37 1.12 -0.94 0.23 0.00 0.00 176.35 176.22 1yjx s SER 201 N -3.04 4.75 0.07 2.29 1.04 -1.26 -4.82 113.70 112.73 1yjx s SER 201 Ca 0.63 1.11 -0.23 0.00 0.48 0.00 0.00 55.95 57.94 1yjx s SER 201 Cb -0.16 -1.81 -0.15 0.00 0.10 0.00 0.00 66.02 64.00 1yjx s SER 201 CO 0.43 -1.78 1.63 -0.33 0.98 0.00 0.00 173.24 174.17 1yjx h GLU 202 N -0.96 0.06 -0.69 4.02 5.08 -1.99 0.06 114.58 120.15 1yjx h GLU 202 Ca -0.46 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.02 1yjx h GLU 202 Cb 1.28 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.42 1yjx h GLU 202 CO 0.62 0.16 0.19 0.93 -1.00 0.00 0.00 179.01 179.92 1yjx h GLU 203 N -0.07 0.31 0.20 2.33 4.39 -2.00 -1.90 114.58 117.83 1yjx h GLU 203 Ca 0.01 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1yjx h GLU 203 Cb 0.13 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1yjx h GLU 203 CO -0.00 0.20 -0.09 0.00 -1.16 0.00 0.00 179.01 177.96 1yjx h ALA 204 N 1.54 -0.26 0.00 3.43 0.00 -1.77 -2.92 119.26 119.28 1yjx h ALA 204 Ca 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1yjx h ALA 204 Cb 0.59 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1yjx h ALA 204 CO -0.44 -0.59 -0.03 0.97 0.00 0.00 0.00 179.25 179.16 1yjx h ILE 205 N -0.37 0.47 0.00 0.00 6.09 -0.51 0.15 117.51 123.34 1yjx h ILE 205 Ca -0.03 -0.13 -0.09 0.00 -1.37 0.00 0.00 64.86 63.25 1yjx h ILE 205 Cb 0.29 1.08 -0.01 0.00 0.47 0.00 0.00 36.82 38.65 1yjx h ILE 205 CO 0.04 0.03 -0.41 0.24 -3.07 0.00 0.00 178.15 174.98 1yjx h MET 206 N 0.00 0.00 0.00 2.19 2.86 -1.17 -3.26 114.93 115.55 1yjx h MET 206 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1yjx h MET 206 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1yjx h MET 206 CO 0.00 0.41 -0.00 0.93 1.06 0.00 0.00 176.91 179.32 1yjx h GLU 207 N 0.00 -0.00 -6.39 1.72 4.39 -0.87 -3.46 114.58 109.97 1yjx h GLU 207 Ca -0.00 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.07 1yjx h GLU 207 Cb 1.13 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.83 1yjx h GLU 207 CO 0.05 0.80 0.68 -0.11 -1.16 0.00 0.00 179.01 179.27 1yjx n LEU 208 N -4.71 2.52 -3.74 1.33 7.94 -0.73 -4.98 117.00 114.63 1yjx n LEU 208 Ca -0.09 1.09 -0.30 0.00 -1.11 0.00 0.00 56.01 55.60 1yjx n LEU 208 Cb 0.39 -1.32 -0.15 0.00 0.53 0.00 0.00 43.42 42.86 1yjx n LEU 208 CO 0.34 -0.58 -0.34 0.20 -1.11 0.00 0.00 177.39 175.90 1yjx s ASN 209 N 0.99 3.86 0.42 1.96 -0.87 -1.26 -4.98 114.94 115.06 1yjx s ASN 209 Ca 0.82 -1.49 -0.26 0.00 -1.57 0.00 0.00 52.86 50.36 1yjx s ASN 209 Cb -0.80 -0.84 -0.09 0.00 -0.02 0.00 0.00 41.25 39.50 1yjx s ASN 209 CO 0.43 -0.39 1.36 -0.76 -2.57 0.00 0.00 177.10 175.17 1yjx s LEU 210 N 1.64 4.18 0.65 0.60 1.43 -1.26 -4.97 118.68 120.95 1yjx s LEU 210 Ca 0.07 2.79 -0.16 0.00 -1.03 0.00 0.00 54.13 55.80 1yjx s LEU 210 Cb -0.17 -3.90 -0.00 0.00 0.03 0.00 0.00 46.19 42.14 1yjx s LEU 210 CO -0.22 -0.98 1.14 -2.84 0.23 0.00 0.00 176.35 173.68 1yjx s PRO 211 N -2.31 2.77 0.04 1.29 0.02 -1.26 -5.02 135.00 130.52 1yjx s PRO 211 Ca 0.58 1.53 -0.03 0.00 0.02 0.00 0.00 61.00 63.10 1yjx s PRO 211 Cb -0.41 -1.93 -0.04 0.00 0.02 0.00 0.00 34.50 32.13 1yjx s PRO 211 CO 0.53 -1.30 0.24 0.95 -0.33 0.00 0.00 177.00 177.09 1yjx s THR 212 N -2.13 5.35 0.00 0.99 -4.23 -1.26 -4.32 115.64 110.03 1yjx s THR 212 Ca 0.70 -0.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.08 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 0.39 0.23 0.00 0.61 -0.54 0.00 0.00 174.62 175.31 1yjx n GLY 213 N 0.63 0.69 3.69 3.99 0.00 0.75 -4.88 105.19 110.05 1yjx n GLY 213 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 5.33 0.07 -0.61 1.01 -1.26 -3.83 121.20 119.99 1yjx s ILE 214 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.51 1yjx s ILE 214 Cb 0.00 -3.46 -0.09 0.00 0.01 0.00 0.00 42.46 38.92 1yjx s ILE 214 CO 0.00 0.39 1.87 -2.84 0.00 0.00 0.00 174.94 174.36 1yjx s PRO 215 N 0.73 4.15 -0.31 2.79 0.02 -1.26 -4.55 135.00 136.56 1yjx s PRO 215 Ca 0.07 2.56 -0.11 0.00 0.02 0.00 0.00 61.00 63.55 1yjx s PRO 215 Cb -0.12 -3.88 -0.02 0.00 0.02 0.00 0.00 34.50 30.49 1yjx s PRO 215 CO 0.01 -0.89 0.18 0.42 -0.33 0.00 0.00 177.00 176.40 1yjx s ILE 216 N 3.61 4.92 -0.19 2.83 1.01 0.12 -2.04 121.20 131.46 1yjx s ILE 216 Ca 0.83 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 61.17 1yjx s ILE 216 Cb -0.43 -3.47 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1yjx s ILE 216 CO 0.38 0.09 0.08 -0.69 0.00 0.00 0.00 174.94 174.80 1yjx s VAL 217 N 1.67 4.91 0.01 2.92 1.01 0.10 0.17 120.40 131.19 1yjx s VAL 217 Ca 0.06 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.12 1yjx s VAL 217 Cb -0.17 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1yjx s VAL 217 CO 0.08 0.44 -0.22 -0.31 0.00 0.00 0.00 175.10 175.09 1yjx s TYR 218 N 0.48 2.45 -0.27 5.22 1.51 0.25 -1.28 117.35 125.71 1yjx s TYR 218 Ca 0.04 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1yjx s TYR 218 Cb -0.12 -1.48 0.05 0.00 -0.11 0.00 0.00 41.96 40.29 1yjx s TYR 218 CO 0.00 0.12 -0.07 -1.21 -1.11 0.00 0.00 175.55 173.28 1yjx s GLU 219 N -1.02 2.46 0.06 -0.62 2.02 -1.26 -0.15 118.70 120.19 1yjx s GLU 219 Ca 0.12 -1.22 0.02 0.00 0.02 0.00 0.00 54.97 53.91 1yjx s GLU 219 Cb -0.10 -2.98 -0.04 0.00 0.10 0.00 0.00 34.13 31.11 1yjx s GLU 219 CO 0.02 -0.53 0.09 -0.51 0.02 0.00 0.00 175.26 174.34 1yjx s LEU 220 N 1.20 3.84 0.00 1.80 1.43 0.42 -1.57 118.68 125.80 1yjx s LEU 220 Ca -0.05 0.03 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1yjx s LEU 220 Cb -0.19 -2.47 0.13 0.00 0.03 0.00 0.00 46.19 43.69 1yjx s LEU 220 CO -0.04 0.19 0.84 -0.90 0.23 0.00 0.00 176.35 176.67 1yjx n ASP 221 N 0.58 0.75 0.11 2.29 5.68 -0.91 -0.95 116.55 124.11 1yjx n ASP 221 Ca -0.09 -1.72 0.06 0.00 -0.50 0.00 0.00 54.79 52.54 1yjx n ASP 221 Cb 0.52 -0.58 0.33 0.00 -1.14 0.00 0.00 41.12 40.25 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 -2.64 0.08 -0.33 0.11 -0.00 -1.26 -0.86 118.16 113.26 1yjx n LYS 222 Ca 0.13 0.55 0.07 0.00 -0.00 0.00 0.00 58.31 59.06 1yjx n LYS 222 Cb 0.45 -1.87 0.18 0.00 -0.00 0.00 0.00 35.03 33.79 1yjx n LYS 222 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1yjx n ASN 223 N -1.92 2.49 -1.99 -5.58 0.23 -1.26 -4.98 115.26 102.25 1yjx n ASN 223 Ca -0.01 -3.33 -0.20 0.00 -0.53 0.00 0.00 54.58 50.51 1yjx n ASN 223 Cb 0.13 -0.49 -0.05 0.00 -2.08 0.00 0.00 39.78 37.29 1yjx n ASN 223 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1yjx n LEU 224 N -1.18 -1.65 -4.66 -4.53 4.77 -0.04 -4.99 117.00 104.73 1yjx n LEU 224 Ca 0.19 0.25 -0.35 0.00 -0.03 0.00 0.00 56.01 56.08 1yjx n LEU 224 Cb 0.74 -2.80 -0.09 0.00 -2.33 0.00 0.00 43.42 38.93 1yjx n LEU 224 CO 0.04 -0.62 -0.25 -0.54 -1.33 0.00 0.00 177.39 174.69 1yjx s LYS 225 N -4.36 3.82 -0.08 3.23 -0.14 -1.26 -4.81 119.74 116.13 1yjx s LYS 225 Ca 0.00 -0.34 -0.31 0.00 -1.36 0.00 0.00 55.97 53.97 1yjx s LYS 225 Cb 0.00 -3.16 -0.09 0.00 -1.68 0.00 0.00 37.83 32.90 1yjx s LYS 225 CO 0.00 0.36 2.04 -2.30 -0.76 0.00 0.00 175.35 174.69 1yjx n PRO 226 N 3.24 2.37 0.00 -1.68 -0.02 -1.26 -2.14 135.00 135.51 1yjx n PRO 226 Ca -0.17 0.81 0.10 0.00 -2.02 0.00 0.00 63.50 62.22 1yjx n PRO 226 Cb 0.53 -2.96 0.49 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 6.17 0.44 -3.56 4.25 -5.35 -0.61 -4.82 119.36 115.88 1yjx n ILE 227 Ca 0.25 0.11 -0.06 0.00 -0.27 0.00 0.00 62.75 62.77 1yjx n ILE 227 Cb 0.38 -0.78 -0.02 0.00 -1.74 0.00 0.00 39.64 37.48 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 -2.64 0.53 0.86 6.28 -2.85 -1.26 -5.08 119.74 115.57 1yjx s LYS 228 Ca 0.17 -0.18 -0.14 0.00 -1.00 0.00 0.00 55.97 54.83 1yjx s LYS 228 Cb 0.13 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 1yjx s LYS 228 CO 0.31 -0.23 0.45 -0.35 0.10 0.00 0.00 175.35 175.63 1yjx n PRO 229 N -0.10 -0.03 -1.90 1.78 -0.04 -1.26 -4.70 135.00 128.74 1yjx n PRO 229 Ca -0.04 0.04 -0.39 0.00 -0.04 0.00 0.00 63.50 63.07 1yjx n PRO 229 Cb 0.60 -1.84 0.02 0.00 -0.04 0.00 0.00 33.50 32.24 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 -3.25 3.51 0.27 0.54 0.23 -1.26 -4.89 119.30 114.44 1yjx s MET 230 Ca 0.60 2.20 0.11 0.00 -1.03 0.00 0.00 55.69 57.57 1yjx s MET 230 Cb -0.27 -2.46 -0.05 0.00 -1.53 0.00 0.00 34.83 30.52 1yjx s MET 230 CO 0.64 -0.88 -0.12 -0.65 -2.03 0.00 0.00 175.02 171.97 1yjx s GLN 231 N -2.65 1.94 -0.05 3.16 -0.21 -0.41 -4.94 119.66 116.50 1yjx s GLN 231 Ca 0.65 -1.62 0.06 0.00 0.02 0.00 0.00 55.36 54.48 1yjx s GLN 231 Cb -0.39 -1.94 -0.01 0.00 1.00 0.00 0.00 33.01 31.67 1yjx s GLN 231 CO 0.48 0.35 -0.25 -0.06 -2.12 0.00 0.00 175.29 173.69 1yjx s PHE 232 N -2.41 2.44 0.00 0.91 0.40 -1.26 0.01 117.98 118.07 1yjx s PHE 232 Ca 0.30 -0.68 -0.04 0.00 -0.60 0.00 0.00 56.93 55.92 1yjx s PHE 232 Cb -0.06 -1.59 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 1yjx s PHE 232 CO 0.17 -0.19 0.21 -0.51 0.70 0.00 0.00 175.22 175.60 1yjx s LEU 233 N -0.22 4.37 0.00 -0.37 1.43 -0.86 -4.86 118.68 118.17 1yjx s LEU 233 Ca -0.02 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1yjx s LEU 233 Cb -0.13 -2.66 0.00 0.00 0.03 0.00 0.00 46.19 43.43 1yjx s LEU 233 CO 0.03 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.47 1yjx n GLY 234 N 0.95 1.37 3.86 -3.19 0.00 -1.26 -4.20 105.19 102.71 1yjx n GLY 234 Ca -0.11 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 43.85 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 5.93 0.00 1.61 1.47 -1.26 -4.55 116.67 119.87 1yjx s ASP 235 Ca 0.00 1.42 -0.01 0.00 1.18 0.00 0.00 52.55 55.14 1yjx s ASP 235 Cb 0.00 -2.40 -0.00 0.00 -0.34 0.00 0.00 42.92 40.18 1yjx s ASP 235 CO 0.00 -1.07 0.22 -0.62 0.68 0.00 0.00 175.17 174.39 1yjx n GLU 236 N -2.87 -0.01 -0.15 2.11 -0.58 -1.26 -1.50 120.64 116.38 1yjx n GLU 236 Ca 0.06 0.22 -0.08 0.00 -0.42 0.00 0.00 57.16 56.95 1yjx n GLU 236 Cb 0.54 -0.33 -0.06 0.00 -0.57 0.00 0.00 31.44 31.02 1yjx n GLU 236 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1yjx h GLU 237 N 0.00 -0.15 0.24 3.49 4.39 -1.99 -2.61 114.58 117.95 1yjx h GLU 237 Ca 0.00 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1yjx h GLU 237 Cb 0.01 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1yjx h GLU 237 CO -0.02 -0.10 -0.11 1.15 -1.16 0.00 0.00 179.01 178.77 1yjx h THR 238 N -0.15 0.83 0.00 1.13 2.02 -1.74 -2.24 112.91 112.76 1yjx h THR 238 Ca 0.07 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1yjx h THR 238 Cb 0.32 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1yjx h THR 238 CO -0.45 0.12 0.06 0.55 0.37 0.00 0.00 175.52 176.17 1yjx n VAL 239 N -5.11 0.76 -0.01 3.16 3.14 -0.56 -1.37 118.33 118.34 1yjx n VAL 239 Ca -0.09 0.25 -0.01 0.00 -2.96 0.00 0.00 64.34 61.53 1yjx n VAL 239 Cb 0.23 -1.25 -0.03 0.00 -1.06 0.00 0.00 33.84 31.73 1yjx n VAL 239 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1yjx n ARG 240 N -1.13 2.73 -0.05 1.45 1.74 -0.99 -3.22 116.66 117.19 1yjx n ARG 240 Ca 0.00 -0.01 0.01 0.00 -0.77 0.00 0.00 57.85 57.09 1yjx n ARG 240 Cb 0.06 -1.09 0.33 0.00 -1.02 0.00 0.00 32.46 30.74 1yjx n ARG 240 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1yjx h LYS 241 N 0.00 0.64 -0.13 5.56 1.79 -0.60 -0.20 116.57 123.63 1yjx h LYS 241 Ca -0.08 -0.08 -0.22 0.00 -2.18 0.00 0.00 60.65 58.10 1yjx h LYS 241 Cb 1.01 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 31.54 1yjx h LYS 241 CO 0.00 0.51 -0.78 0.00 -1.08 0.00 0.00 179.45 178.10 1yjx h ALA 242 N 1.59 0.37 0.00 3.86 0.00 -1.58 -3.04 119.26 120.46 1yjx h ALA 242 Ca 0.16 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1yjx h ALA 242 Cb 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1yjx h ALA 242 CO -0.02 0.70 0.00 -1.33 0.00 0.00 0.00 179.25 178.60 1yjx n MET 243 N -3.91 0.37 -2.78 0.00 2.00 -0.10 -3.94 117.12 108.76 1yjx n MET 243 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 57.70 57.25 1yjx n MET 243 Cb 0.74 -1.21 0.00 0.00 0.00 0.00 0.00 33.22 32.76 1yjx n MET 243 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1yjx n GLU 244 N 0.40 4.81 -0.61 0.03 4.07 -1.12 -4.58 120.64 123.65 1yjx n GLU 244 Ca 0.00 -4.69 0.02 0.00 -0.06 0.00 0.00 57.16 52.43 1yjx n GLU 244 Cb 0.11 -2.43 0.22 0.00 -0.06 0.00 0.00 31.44 29.28 1yjx n GLU 244 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1yjx n ALA 245 N 0.15 3.66 -0.03 4.31 0.00 -1.25 -5.11 120.51 122.23 1yjx n ALA 245 Ca 0.40 -2.79 0.00 0.00 0.00 0.00 0.00 53.44 51.06 1yjx n ALA 245 Cb 0.30 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1yjx n ALA 245 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05