#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yjx s TYR 4 N 0.00 1.64 -0.03 0.00 4.12 0.11 -4.82 117.35 118.36 1yjx s TYR 4 Ca 0.00 1.00 0.02 0.00 0.02 0.00 0.00 57.07 58.10 1yjx s TYR 4 Cb 0.00 -3.20 0.01 0.00 -1.52 0.00 0.00 41.96 37.25 1yjx s TYR 4 CO 0.00 -3.45 -0.06 0.15 0.02 0.00 0.00 175.55 172.21 1yjx s LYS 5 N -4.79 0.79 -0.03 -0.62 -0.14 -1.26 -2.40 119.74 111.29 1yjx s LYS 5 Ca 0.67 -0.17 0.01 0.00 -1.36 0.00 0.00 55.97 55.12 1yjx s LYS 5 Cb -0.21 -0.77 0.01 0.00 -1.68 0.00 0.00 37.83 35.19 1yjx s LYS 5 CO 0.60 0.01 -0.04 -1.17 -0.76 0.00 0.00 175.35 173.99 1yjx s LEU 6 N 0.52 1.55 -0.10 3.17 0.20 -0.19 -4.06 118.68 119.77 1yjx s LEU 6 Ca -0.07 -0.11 0.03 0.00 0.69 0.00 0.00 54.13 54.68 1yjx s LEU 6 Cb -0.11 -0.36 0.01 0.00 -0.43 0.00 0.00 46.19 45.30 1yjx s LEU 6 CO 0.00 -0.01 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.15 1yjx s VAL 7 N 0.54 1.81 0.12 1.68 1.01 -0.99 -0.23 120.40 124.35 1yjx s VAL 7 Ca -0.07 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.13 1yjx s VAL 7 Cb -0.10 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1yjx s VAL 7 CO -0.00 0.50 -0.14 -0.76 0.00 0.00 0.00 175.10 174.70 1yjx s LEU 8 N 0.54 2.87 -0.16 3.92 1.43 0.73 -1.08 118.68 126.93 1yjx s LEU 8 Ca -0.15 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 52.39 1yjx s LEU 8 Cb -0.17 -1.67 0.07 0.00 0.03 0.00 0.00 46.19 44.45 1yjx s LEU 8 CO 0.05 0.17 0.34 -0.51 0.23 0.00 0.00 176.35 176.63 1yjx s ILE 9 N -1.25 -0.37 -0.13 -0.59 2.07 0.05 -0.12 121.20 120.85 1yjx s ILE 9 Ca 0.20 0.19 -0.19 0.00 -1.41 0.00 0.00 60.65 59.44 1yjx s ILE 9 Cb -0.11 -0.54 -0.04 0.00 0.13 0.00 0.00 42.46 41.90 1yjx s ILE 9 CO 0.12 0.08 0.52 -0.60 -1.91 0.00 0.00 174.94 173.15 1yjx s ARG 10 N 2.14 4.31 0.74 3.50 3.52 -1.26 -1.62 118.95 130.28 1yjx s ARG 10 Ca -0.03 0.50 -0.15 0.00 -0.13 0.00 0.00 55.73 55.91 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 1.07 -2.39 -0.81 0.00 0.00 175.30 173.12 1yjx n HIS 11 N 4.00 0.97 -0.87 5.12 1.44 -0.93 -0.71 115.22 124.24 1yjx n HIS 11 Ca -0.06 0.40 0.00 0.00 -2.01 0.00 0.00 57.72 56.05 1yjx n HIS 11 Cb 0.51 -2.11 0.00 0.00 0.12 0.00 0.00 29.99 28.51 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 0.92 -0.16 3.59 -1.39 0.00 -1.26 -4.40 105.19 102.49 1yjx n GLY 12 Ca 0.13 -1.76 -0.50 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 -0.35 1.23 -3.60 1.61 2.13 -1.26 -4.86 120.64 115.53 1yjx n GLU 13 Ca 0.00 0.44 -0.21 0.00 0.66 0.00 0.00 57.16 58.05 1yjx n GLU 13 Cb 0.00 -2.01 -0.03 0.00 0.27 0.00 0.00 31.44 29.67 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 5.10 0.25 4.31 1.04 -1.26 -0.69 113.70 122.67 1yjx s SER 14 Ca 0.77 -0.69 -0.04 0.00 0.48 0.00 0.00 55.95 56.47 1yjx s SER 14 Cb -0.88 -0.65 0.39 0.00 0.10 0.00 0.00 66.02 64.98 1yjx s SER 14 CO 0.50 -0.60 1.83 0.00 0.98 0.00 0.00 173.24 175.95 1yjx h ALA 15 N 1.07 1.22 0.00 5.32 0.00 -0.57 0.29 119.26 126.59 1yjx h ALA 15 Ca -0.42 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1yjx h ALA 15 Cb 1.26 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1yjx h ALA 15 CO 0.57 0.20 -0.06 -1.49 0.00 0.00 0.00 179.25 178.47 1yjx h TRP 16 N 0.90 0.00 -0.15 0.00 4.06 -1.92 -2.95 115.95 115.89 1yjx h TRP 16 Ca 0.40 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.34 1yjx h TRP 16 Cb 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.44 1yjx h TRP 16 CO -0.04 0.06 0.06 -0.91 -3.56 0.00 0.00 178.44 174.05 1yjx h ASN 17 N 0.00 0.20 0.38 -3.49 2.35 -1.20 -0.65 115.58 113.17 1yjx h ASN 17 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1yjx h ASN 17 Cb 0.80 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.11 1yjx h ASN 17 CO 0.01 0.31 -0.02 0.00 -1.65 0.00 0.00 177.43 176.08 1yjx n LEU 18 N -4.88 0.11 -0.53 1.61 -0.00 -1.11 -1.39 117.00 110.82 1yjx n LEU 18 Ca -0.05 0.15 0.13 0.00 -0.00 0.00 0.00 56.01 56.24 1yjx n LEU 18 Cb 0.12 -0.19 0.30 0.00 -0.00 0.00 0.00 43.42 43.65 1yjx n LEU 18 CO 0.35 0.02 0.67 -0.62 -0.00 0.00 0.00 177.39 177.80 1yjx n GLU 19 N -1.13 1.53 -3.66 1.47 1.02 -0.89 -4.96 120.64 114.03 1yjx n GLU 19 Ca 0.17 -1.07 -0.22 0.00 -0.02 0.00 0.00 57.16 56.02 1yjx n GLU 19 Cb 0.22 -1.48 0.05 0.00 -0.02 0.00 0.00 31.44 30.21 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 0.20 -2.12 -4.49 1.62 4.05 -0.48 -4.87 115.26 109.17 1yjx n ASN 20 Ca 0.14 -0.75 -0.26 0.00 0.45 0.00 0.00 54.58 54.16 1yjx n ASN 20 Cb 0.43 -4.34 -0.10 0.00 1.23 0.00 0.00 39.78 36.99 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 -5.94 1.74 -0.09 1.20 0.52 -0.37 -0.74 118.95 115.27 1yjx s ARG 21 Ca 0.12 -1.52 -0.30 0.00 -0.52 0.00 0.00 55.73 53.51 1yjx s ARG 21 Cb -0.06 -1.92 -0.02 0.00 0.52 0.00 0.00 34.95 33.47 1yjx s ARG 21 CO 0.79 0.39 1.07 -0.06 0.02 0.00 0.00 175.30 177.51 1yjx s PHE 22 N -1.93 3.41 -0.20 -0.53 0.08 -0.88 -4.64 117.98 113.29 1yjx s PHE 22 Ca 0.25 1.48 -0.16 0.00 0.12 0.00 0.00 56.93 58.62 1yjx s PHE 22 Cb -0.07 -3.26 -0.09 0.00 -0.57 0.00 0.00 43.02 39.02 1yjx s PHE 22 CO 0.13 -0.56 -0.21 0.43 -0.10 0.00 0.00 175.22 174.91 1yjx n SER 23 N 5.08 1.90 0.00 1.36 7.64 -1.26 -0.57 113.62 127.77 1yjx n SER 23 Ca 0.09 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1yjx n SER 23 Cb 0.48 -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 4.01 0.13 0.23 0.00 -1.26 -0.43 105.19 109.30 1yjx n GLY 24 Ca -0.27 0.07 0.15 0.00 0.00 0.00 0.00 46.02 45.97 1yjx n GLY 24 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1yjx n TRP 25 N 14.00 0.00 -1.87 1.61 7.02 -1.26 -4.55 117.44 132.40 1yjx n TRP 25 Ca 0.00 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.06 1yjx n TRP 25 Cb 0.00 -0.10 -0.03 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 -2.25 2.97 -0.71 -5.99 5.04 0.42 -4.84 117.35 111.99 1yjx s TYR 26 Ca 0.37 0.63 -0.07 0.00 -2.44 0.00 0.00 57.07 55.55 1yjx s TYR 26 Cb 0.21 -3.99 -0.16 0.00 0.35 0.00 0.00 41.96 38.36 1yjx s TYR 26 CO 0.42 -3.58 3.05 -3.47 -1.34 0.00 0.00 175.55 170.62 1yjx n ASP 27 N 3.46 6.25 -4.77 4.32 2.03 -1.26 -4.94 116.55 121.64 1yjx n ASP 27 Ca 0.13 -2.44 -0.40 0.00 0.52 0.00 0.00 54.79 52.59 1yjx n ASP 27 Cb 0.38 -1.36 -0.00 0.00 -0.72 0.00 0.00 41.12 39.41 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 1.81 3.29 0.61 -1.67 0.00 -1.26 -4.73 121.76 119.81 1yjx s ALA 28 Ca 0.61 1.29 -0.03 0.00 0.00 0.00 0.00 51.96 53.83 1yjx s ALA 28 Cb 0.23 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.87 1yjx s ALA 28 CO -0.03 -0.89 0.88 0.34 0.00 0.00 0.00 175.76 176.07 1yjx s ASP 29 N -0.65 5.24 0.58 0.00 -1.08 -1.26 -3.30 116.67 116.19 1yjx s ASP 29 Ca 0.57 0.37 -0.18 0.00 -0.52 0.00 0.00 52.55 52.79 1yjx s ASP 29 Cb -0.40 -1.23 -0.04 0.00 -1.46 0.00 0.00 42.92 39.79 1yjx s ASP 29 CO 0.51 -1.25 1.10 -0.76 0.52 0.00 0.00 175.17 175.29 1yjx s LEU 30 N -4.98 3.62 0.55 -1.34 1.43 -1.26 0.07 118.68 116.76 1yjx s LEU 30 Ca 0.57 2.03 -0.03 0.00 -1.03 0.00 0.00 54.13 55.67 1yjx s LEU 30 Cb -0.10 -4.56 0.01 0.00 0.03 0.00 0.00 46.19 41.56 1yjx s LEU 30 CO 0.42 -1.27 0.82 -0.94 0.23 0.00 0.00 176.35 175.61 1yjx s SER 31 N -2.20 5.59 0.26 2.29 1.04 0.14 -4.39 113.70 116.42 1yjx s SER 31 Ca 0.69 0.47 -0.02 0.00 0.48 0.00 0.00 55.95 57.57 1yjx s SER 31 Cb -0.21 -1.52 0.51 0.00 0.10 0.00 0.00 66.02 64.91 1yjx s SER 31 CO 0.32 -0.99 1.73 -0.65 0.98 0.00 0.00 173.24 174.64 1yjx h PRO 32 N 0.02 0.47 -0.43 4.02 0.11 -1.96 0.92 132.00 135.15 1yjx h PRO 32 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1yjx h PRO 32 Cb 1.26 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1yjx h PRO 32 CO 0.59 0.31 0.27 0.00 -0.21 0.00 0.00 178.00 178.96 1yjx h ALA 33 N 1.57 0.55 -0.70 -0.75 0.00 -1.92 -0.36 119.26 117.64 1yjx h ALA 33 Ca 0.45 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.32 1yjx h ALA 33 Cb 0.69 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1yjx h ALA 33 CO -0.41 0.02 0.47 0.78 0.00 0.00 0.00 179.25 180.11 1yjx h GLY 34 N 0.58 0.99 0.89 0.00 0.00 -1.05 0.81 103.07 105.29 1yjx h GLY 34 Ca 0.16 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1yjx h GLY 34 CO -0.03 0.36 0.01 0.84 0.00 0.00 0.00 176.54 177.72 1yjx h HIS 35 N 0.95 0.59 -0.81 5.60 6.17 -0.31 -2.36 115.15 124.99 1yjx h HIS 35 Ca 0.26 -0.10 0.02 0.00 0.71 0.00 0.00 60.37 61.26 1yjx h HIS 35 Cb -0.11 -0.15 -0.04 0.00 2.52 0.00 0.00 27.41 29.63 1yjx h HIS 35 CO -0.00 0.66 0.53 1.49 0.71 0.00 0.00 177.93 181.32 1yjx h GLU 36 N 0.34 1.01 -0.10 5.26 4.57 0.01 -0.80 114.58 124.88 1yjx h GLU 36 Ca 0.09 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1yjx h GLU 36 Cb 0.42 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1yjx h GLU 36 CO 0.01 0.67 -0.01 0.93 -1.18 0.00 0.00 179.01 179.43 1yjx h GLU 37 N 1.04 0.02 -0.53 1.92 5.08 -0.50 -0.67 114.58 120.94 1yjx h GLU 37 Ca 0.31 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.71 1yjx h GLU 37 Cb -0.03 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1yjx h GLU 37 CO -0.08 0.02 0.28 0.00 -1.00 0.00 0.00 179.01 178.23 1yjx h ALA 38 N 1.09 0.68 -0.84 3.43 0.00 -0.82 -0.27 119.26 122.52 1yjx h ALA 38 Ca 0.05 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1yjx h ALA 38 Cb 0.06 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 1yjx h ALA 38 CO -0.08 -0.05 0.47 -0.22 0.00 0.00 0.00 179.25 179.36 1yjx h LYS 39 N 0.55 0.73 0.30 0.00 3.64 -0.56 0.90 116.57 122.12 1yjx h LYS 39 Ca 0.23 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1yjx h LYS 39 Cb 0.11 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1yjx h LYS 39 CO -0.14 0.48 -0.14 0.00 -2.27 0.00 0.00 179.45 177.38 1yjx h ARG 40 N 0.75 -0.38 -1.01 1.90 3.08 0.15 -1.56 114.38 117.30 1yjx h ARG 40 Ca 0.42 0.03 0.24 0.00 0.07 0.00 0.00 59.98 60.73 1yjx h ARG 40 Cb 0.45 0.09 -0.10 0.00 0.08 0.00 0.00 29.97 30.49 1yjx h ARG 40 CO -0.28 -0.10 0.63 0.78 -1.07 0.00 0.00 179.97 179.93 1yjx h GLY 41 N -0.65 1.43 0.83 0.04 0.00 -0.32 0.29 103.07 104.70 1yjx h GLY 41 Ca -0.04 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1yjx h GLY 41 CO 0.07 -0.13 -0.09 -1.33 0.00 0.00 0.00 176.54 175.07 1yjx h GLY 42 N 0.51 0.50 0.84 4.60 0.00 -0.63 -1.58 103.07 107.32 1yjx h GLY 42 Ca 0.59 -0.43 0.04 0.00 0.00 0.00 0.00 47.33 47.53 1yjx h GLY 42 CO -0.34 0.40 0.65 -1.61 0.00 0.00 0.00 176.54 175.64 1yjx h GLN 43 N 0.18 1.21 0.08 4.80 5.75 0.43 0.31 115.11 127.86 1yjx h GLN 43 Ca 0.05 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1yjx h GLN 43 Cb 0.57 -0.27 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 1yjx h GLN 43 CO 0.03 0.80 -0.05 0.00 -2.65 0.00 0.00 178.83 176.95 1yjx h ALA 44 N 1.42 -0.12 -0.80 3.38 0.00 -0.34 0.38 119.26 123.18 1yjx h ALA 44 Ca 0.41 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1yjx h ALA 44 Cb 0.04 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1yjx h ALA 44 CO -0.14 -0.57 0.45 -0.07 0.00 0.00 0.00 179.25 178.92 1yjx h LEU 45 N -0.13 0.98 -0.24 0.00 3.38 -0.52 -0.23 115.31 118.54 1yjx h LEU 45 Ca -0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1yjx h LEU 45 Cb 0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1yjx h LEU 45 CO -0.00 0.78 0.08 -0.09 0.09 0.00 0.00 178.44 179.30 1yjx h ARG 46 N 1.11 0.37 -0.63 1.13 1.12 0.13 -0.42 114.38 117.20 1yjx h ARG 46 Ca 0.28 -0.08 -0.07 0.00 -1.11 0.00 0.00 59.98 59.01 1yjx h ARG 46 Cb 0.00 -0.06 -0.03 0.00 -0.01 0.00 0.00 29.97 29.88 1yjx h ARG 46 CO -0.05 0.44 0.13 -0.44 -3.11 0.00 0.00 179.97 176.94 1yjx h ASP 47 N 0.23 0.96 0.18 -3.80 3.32 0.15 -0.70 116.42 116.75 1yjx h ASP 47 Ca 0.08 -0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1yjx h ASP 47 Cb 0.21 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1yjx h ASP 47 CO -0.00 0.94 0.00 0.00 -1.72 0.00 0.00 179.24 178.46 1yjx n ALA 48 N -2.46 2.41 -3.50 3.45 0.00 -0.13 -4.90 120.51 115.38 1yjx n ALA 48 Ca 0.04 -0.15 -0.25 0.00 0.00 0.00 0.00 53.44 53.09 1yjx n ALA 48 Cb 0.26 -1.43 0.06 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.27 -4.97 105.19 103.94 1yjx n GLY 49 Ca 0.17 0.21 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.27 3.12 -0.03 1.61 1.51 -0.32 -5.03 117.35 114.94 1yjx s TYR 50 Ca 0.52 1.60 0.03 0.00 -1.01 0.00 0.00 57.07 58.22 1yjx s TYR 50 Cb -0.24 -3.22 -0.00 0.00 -0.11 0.00 0.00 41.96 38.39 1yjx s TYR 50 CO 0.65 -0.96 -0.12 -1.21 -1.11 0.00 0.00 175.55 172.80 1yjx s GLU 51 N -2.59 1.26 0.35 -0.62 2.02 -1.26 -4.87 118.70 112.98 1yjx s GLU 51 Ca 0.60 -0.42 0.08 0.00 0.02 0.00 0.00 54.97 55.25 1yjx s GLU 51 Cb -0.24 -1.14 -0.07 0.00 0.10 0.00 0.00 34.13 32.78 1yjx s GLU 51 CO 0.30 0.17 -0.06 -0.06 0.02 0.00 0.00 175.26 175.63 1yjx s PHE 52 N 0.10 2.36 0.00 1.61 0.40 -1.26 -4.85 117.98 116.34 1yjx s PHE 52 Ca -0.03 -0.58 0.00 0.00 -0.60 0.00 0.00 56.93 55.72 1yjx s PHE 52 Cb -0.09 -1.44 0.00 0.00 0.51 0.00 0.00 43.02 42.00 1yjx s PHE 52 CO 0.01 0.50 0.00 -0.25 0.70 0.00 0.00 175.22 176.17 1yjx n ASP 53 N -0.81 4.95 -3.63 1.36 8.00 0.29 -4.92 116.55 121.79 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 0.87 -0.07 0.00 -0.02 0.00 0.00 41.12 42.54 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 -1.98 0.01 0.06 0.53 2.07 -1.20 -4.27 121.20 116.42 1yjx s ILE 54 Ca 0.00 -0.10 0.09 0.00 -1.41 0.00 0.00 60.65 59.23 1yjx s ILE 54 Cb 0.00 -0.85 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 1yjx s ILE 54 CO 0.00 -0.05 -0.23 0.00 -1.91 0.00 0.00 174.94 172.74 1yjx s PHE 56 N -0.87 1.50 0.32 0.00 0.40 -0.24 -0.23 117.98 118.86 1yjx s PHE 56 Ca 0.10 -0.44 -0.02 0.00 -0.60 0.00 0.00 56.93 55.97 1yjx s PHE 56 Cb -0.09 -1.03 -0.01 0.00 0.51 0.00 0.00 43.02 42.40 1yjx s PHE 56 CO 0.03 -0.17 0.41 -0.08 0.70 0.00 0.00 175.22 176.11 1yjx s THR 57 N 0.17 0.00 0.00 0.64 -1.32 -0.44 -1.26 115.64 113.43 1yjx s THR 57 Ca -0.05 -1.68 0.00 0.00 -1.21 0.00 0.00 61.69 58.75 1yjx s THR 57 Cb -0.11 -2.56 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 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 -1.21 0.00 -1.24 8.08 3.41 -1.25 -1.16 113.62 120.25 1yjx n SER 58 Ca 0.02 -0.62 -0.02 0.00 -0.26 0.00 0.00 58.87 57.99 1yjx n SER 58 Cb 0.62 0.00 0.22 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 -1.09 2.56 -4.71 -3.33 0.24 -1.23 -4.01 118.33 106.75 1yjx n VAL 59 Ca 0.00 -2.31 -0.33 0.00 -2.04 0.00 0.00 64.34 59.66 1yjx n VAL 59 Cb 0.00 -0.32 -0.14 0.00 -1.47 0.00 0.00 33.84 31.91 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 -3.10 3.41 0.06 7.34 -0.21 -1.26 -5.04 119.66 120.86 1yjx s GLN 60 Ca 0.46 -0.67 -0.13 0.00 0.02 0.00 0.00 55.36 55.05 1yjx s GLN 60 Cb 0.40 -2.67 -0.03 0.00 1.00 0.00 0.00 33.01 31.71 1yjx s GLN 60 CO 0.05 0.20 1.09 1.63 -2.12 0.00 0.00 175.29 176.13 1yjx n LYS 61 N 3.57 -0.18 -0.38 2.91 5.02 -1.26 -1.33 118.16 126.51 1yjx n LYS 61 Ca -0.18 1.07 0.30 0.00 -2.02 0.00 0.00 58.31 57.48 1yjx n LYS 61 Cb 0.53 -1.59 0.57 0.00 -0.02 0.00 0.00 35.03 34.51 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 0.20 0.00 1.97 0.11 -1.88 0.83 114.38 115.62 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 0.17 -0.05 -0.00 0.00 1.11 0.00 0.00 29.97 31.20 1yjx h ARG 62 CO -0.38 0.14 -0.06 0.00 0.10 0.00 0.00 179.97 179.77 1yjx h ALA 63 N 1.69 0.01 -0.40 0.08 0.00 -1.53 -2.90 119.26 116.21 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 2.09 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.85 1yjx h ALA 63 CO -0.46 0.04 -0.01 0.82 0.00 0.00 0.00 179.25 179.64 1yjx h ILE 64 N -1.00 0.69 -0.33 0.00 2.04 -0.03 0.59 117.51 119.48 1yjx h ILE 64 Ca -0.01 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1yjx h ILE 64 Cb 0.79 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1yjx h ILE 64 CO -0.01 0.02 0.11 -0.09 0.00 0.00 0.00 178.15 178.18 1yjx h ARG 65 N 0.10 0.47 -0.31 2.37 2.43 0.48 0.75 114.38 120.67 1yjx h ARG 65 Ca 0.20 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1yjx h ARG 65 Cb 0.28 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 1yjx h ARG 65 CO -0.34 0.41 0.09 1.15 -1.51 0.00 0.00 179.97 179.77 1yjx h THR 66 N 0.47 1.21 0.16 0.20 2.02 -0.89 -0.57 112.91 115.50 1yjx h THR 66 Ca 0.11 -0.67 0.01 0.00 0.77 0.00 0.00 66.41 66.63 1yjx h THR 66 Cb 0.13 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1yjx h THR 66 CO -0.01 0.23 -0.21 0.25 0.37 0.00 0.00 175.52 176.14 1yjx h LEU 67 N 0.33 -0.58 -0.39 2.58 6.46 0.37 -0.88 115.31 123.20 1yjx h LEU 67 Ca 0.10 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 58.00 1yjx h LEU 67 Cb 0.26 0.21 -0.07 0.00 -0.73 0.00 0.00 40.66 40.33 1yjx h LEU 67 CO -0.00 -0.30 -0.07 -0.50 -0.62 0.00 0.00 178.44 176.94 1yjx h TRP 68 N -0.43 -0.16 -0.67 1.25 4.06 -0.79 0.18 115.95 119.40 1yjx h TRP 68 Ca 0.01 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.05 1yjx h TRP 68 Cb 0.42 0.13 -0.05 0.00 -1.00 0.00 0.00 29.16 28.66 1yjx h TRP 68 CO -0.18 -0.15 0.38 1.15 -3.56 0.00 0.00 178.44 176.09 1yjx h THR 69 N 0.02 1.00 0.14 1.49 2.02 -0.72 0.31 112.91 117.18 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 0.28 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1yjx h THR 69 CO -0.38 0.13 -0.07 0.58 0.37 0.00 0.00 175.52 176.16 1yjx h VAL 70 N 0.72 0.97 -0.93 3.16 2.07 0.05 -0.59 116.25 121.70 1yjx h VAL 70 Ca 0.29 -0.43 0.11 0.00 0.82 0.00 0.00 66.70 67.49 1yjx h VAL 70 Cb 0.14 1.24 -0.08 0.00 -1.52 0.00 0.00 31.29 31.06 1yjx h VAL 70 CO -0.16 0.10 0.57 -0.07 0.02 0.00 0.00 177.57 178.03 1yjx h LEU 71 N -0.38 0.84 -0.18 2.57 3.38 -0.38 -0.44 115.31 120.71 1yjx h LEU 71 Ca -0.02 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1yjx h LEU 71 Cb 0.31 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1yjx h LEU 71 CO 0.03 0.46 0.08 -0.78 0.09 0.00 0.00 178.44 178.32 1yjx h ASP 72 N 0.93 0.25 -0.91 -0.43 -0.00 -0.73 0.83 116.42 116.35 1yjx h ASP 72 Ca 0.45 -0.14 0.04 0.00 -0.00 0.00 0.00 57.03 57.39 1yjx h ASP 72 Cb 0.42 -0.06 -0.06 0.00 -0.00 0.00 0.00 39.33 39.63 1yjx h ASP 72 CO -0.25 0.32 0.58 0.00 -0.00 0.00 0.00 179.24 179.89 1yjx h ALA 73 N 0.94 1.21 -0.46 -0.78 0.00 0.12 -2.27 119.26 118.02 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 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1yjx h ALA 73 CO -0.01 0.41 0.00 0.44 0.00 0.00 0.00 179.25 180.09 1yjx n ILE 74 N -4.54 1.86 -3.90 0.00 -5.35 -0.30 -4.82 119.36 102.31 1yjx n ILE 74 Ca 0.12 -1.01 -0.32 0.00 -0.27 0.00 0.00 62.75 61.27 1yjx n ILE 74 Cb 0.12 -0.21 0.01 0.00 -1.74 0.00 0.00 39.64 37.82 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 -2.91 -2.78 7.28 4.64 -0.75 -4.90 116.55 117.72 1yjx n ASP 75 Ca 0.21 -1.09 0.00 0.00 -1.38 0.00 0.00 54.79 52.53 1yjx n ASP 75 Cb 0.88 -2.80 0.05 0.00 -1.04 0.00 0.00 41.12 38.21 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 1.65 0.20 -0.67 6.02 0.21 -4.87 117.38 115.45 1yjx n GLN 76 Ca -0.19 -3.36 0.14 0.00 -0.01 0.00 0.00 57.00 53.59 1yjx n GLN 76 Cb 0.63 -1.47 0.66 0.00 1.02 0.00 0.00 30.24 31.08 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 2.48 0.00 0.00 -1.09 2.86 -1.91 -2.02 114.93 115.26 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 1.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1yjx h MET 77 CO 0.16 0.00 -0.04 -2.67 1.06 0.00 0.00 176.91 175.43 1yjx n TRP 78 N -2.52 0.12 -1.81 -0.22 4.27 -1.26 -4.88 117.44 111.14 1yjx n TRP 78 Ca -0.00 0.03 -0.39 0.00 -3.89 0.00 0.00 57.50 53.26 1yjx n TRP 78 Cb 0.16 -0.54 0.03 0.00 -1.36 0.00 0.00 31.31 29.60 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 -3.20 3.95 0.26 5.67 1.43 -0.76 -4.94 118.68 121.10 1yjx s LEU 79 Ca 0.13 2.80 -0.30 0.00 -1.03 0.00 0.00 54.13 55.74 1yjx s LEU 79 Cb 0.18 -4.15 -0.09 0.00 0.03 0.00 0.00 46.19 42.16 1yjx s LEU 79 CO 0.55 -1.40 1.07 -2.16 0.23 0.00 0.00 176.35 174.64 1yjx s PRO 80 N -2.73 4.67 -0.00 1.29 0.04 -1.26 -4.90 135.00 132.11 1yjx s PRO 80 Ca 0.67 1.75 0.06 0.00 0.04 0.00 0.00 61.00 63.52 1yjx s PRO 80 Cb -0.41 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 30.90 1yjx s PRO 80 CO 0.50 0.25 -0.18 0.14 0.04 0.00 0.00 177.00 177.76 1yjx s VAL 81 N -1.08 1.39 -0.14 -0.36 -7.23 -1.26 -1.14 120.40 110.59 1yjx s VAL 81 Ca 0.44 -0.83 0.03 0.00 -1.81 0.00 0.00 61.98 59.81 1yjx s VAL 81 Cb -0.31 -1.17 0.01 0.00 0.56 0.00 0.00 36.38 35.47 1yjx s VAL 81 CO 0.39 0.33 -0.22 -0.69 -0.31 0.00 0.00 175.10 174.61 1yjx s VAL 82 N -0.50 2.02 0.00 1.32 1.01 0.68 -4.96 120.40 119.98 1yjx s VAL 82 Ca 0.06 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1yjx s VAL 82 Cb -0.07 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1yjx s VAL 82 CO -0.00 0.54 0.14 -0.13 0.00 0.00 0.00 175.10 175.65 1yjx s ARG 83 N 0.81 3.27 -0.23 2.72 0.52 -1.26 -1.32 118.95 123.45 1yjx s ARG 83 Ca -0.08 -0.41 -0.16 0.00 -0.52 0.00 0.00 55.73 54.56 1yjx s ARG 83 Cb -0.16 -2.98 0.06 0.00 0.52 0.00 0.00 34.95 32.40 1yjx s ARG 83 CO -0.01 0.65 0.57 -0.08 0.02 0.00 0.00 175.30 176.45 1yjx s THR 84 N -1.30 -0.01 0.46 0.02 -1.32 -0.31 -4.95 115.64 108.24 1yjx s THR 84 Ca 0.26 0.02 0.36 0.00 -1.21 0.00 0.00 61.69 61.13 1yjx s THR 84 Cb -0.12 -0.82 0.39 0.00 -1.51 0.00 0.00 72.50 70.43 1yjx s THR 84 CO 0.18 0.01 2.19 4.11 -2.21 0.00 0.00 174.62 178.90 1yjx h TRP 85 N 6.20 0.00 0.00 9.09 5.08 -1.89 -2.27 115.95 132.16 1yjx h TRP 85 Ca -0.31 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.66 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 0.26 0.03 0.00 0.54 -1.28 0.00 0.00 178.44 177.99 1yjx n ARG 86 N -3.29 0.15 -0.22 0.12 1.74 -1.26 -0.40 116.66 113.50 1yjx n ARG 86 Ca -0.02 0.54 0.09 0.00 -0.77 0.00 0.00 57.85 57.69 1yjx n ARG 86 Cb 0.17 -1.89 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 -2.19 3.27 -4.59 0.55 4.77 -0.85 -3.90 117.00 114.06 1yjx n LEU 87 Ca 0.00 -1.74 -0.30 0.00 -0.03 0.00 0.00 56.01 53.94 1yjx n LEU 87 Cb 0.11 -0.28 0.19 0.00 -2.33 0.00 0.00 43.42 41.11 1yjx n LEU 87 CO 0.13 0.77 0.55 0.59 -1.33 0.00 0.00 177.39 178.10 1yjx n ASN 88 N 1.14 -0.46 -4.75 -1.43 4.13 0.46 -4.29 115.26 110.07 1yjx n ASN 88 Ca 0.17 0.24 -0.31 0.00 1.68 0.00 0.00 54.58 56.36 1yjx n ASN 88 Cb 0.52 -1.39 0.11 0.00 -1.54 0.00 0.00 39.78 37.48 1yjx n ASN 88 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1yjx s GLU 89 N -4.48 1.99 0.25 3.52 2.56 -1.26 -4.41 118.70 116.87 1yjx s GLU 89 Ca 0.67 1.26 -0.30 0.00 0.00 0.00 0.00 54.97 56.60 1yjx s GLU 89 Cb -0.23 -1.86 -0.10 0.00 2.00 0.00 0.00 34.13 33.94 1yjx s GLU 89 CO 0.61 -1.86 1.43 0.50 -0.56 0.00 0.00 175.26 175.38 1yjx s ARG 90 N -4.83 4.28 -0.06 4.30 3.52 -1.26 -4.59 118.95 120.30 1yjx s ARG 90 Ca 0.63 2.29 -0.30 0.00 -0.13 0.00 0.00 55.73 58.21 1yjx s ARG 90 Cb -0.18 -3.11 -0.05 0.00 -1.56 0.00 0.00 34.95 30.05 1yjx s ARG 90 CO 0.56 -0.41 1.49 -1.58 -0.81 0.00 0.00 175.30 174.56 1yjx s HIS 91 N -0.02 2.43 -0.97 5.12 5.65 -1.26 -4.23 115.29 122.01 1yjx s HIS 91 Ca 0.59 0.56 0.09 0.00 0.25 0.00 0.00 55.06 56.54 1yjx s HIS 91 Cb -0.41 -3.75 0.43 0.00 -1.18 0.00 0.00 32.58 27.66 1yjx s HIS 91 CO 0.43 -2.97 1.22 0.66 -0.65 0.00 0.00 174.74 173.42 1yjx n TYR 92 N 6.47 0.98 -1.27 3.88 4.01 -1.26 -1.36 117.16 128.61 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 0.43 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 0.56 1.50 0.35 2.72 0.00 -1.25 -1.60 105.19 107.47 1yjx n GLY 93 Ca 0.15 -0.37 0.18 0.00 0.00 0.00 0.00 46.02 45.98 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 0.54 103.07 105.15 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 -9.33 3.11 3.38 -1.52 -3.44 115.31 107.51 1yjx h LEU 95 Ca 0.09 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.41 1yjx h LEU 95 Cb 0.69 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.49 1yjx h LEU 95 CO -0.00 0.00 0.71 0.41 0.09 0.00 0.00 178.44 179.65 1yjx n THR 96 N -2.78 0.12 0.00 0.22 -1.04 0.18 -1.01 114.28 109.96 1yjx n THR 96 Ca 0.01 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1yjx n THR 96 Cb 0.25 -1.24 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 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 3.29 3.02 3.77 3.41 0.00 0.26 -4.94 105.19 114.00 1yjx n GLY 97 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 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 3.60 -0.03 0.99 1.43 -0.18 -4.69 118.68 119.80 1yjx s LEU 98 Ca 0.00 2.11 -0.30 0.00 -1.03 0.00 0.00 54.13 54.91 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 -1.40 1.03 0.21 0.23 0.00 0.00 176.35 176.42 1yjx s ASN 99 N -2.10 7.27 0.21 2.29 3.84 -1.26 -2.08 114.94 123.11 1yjx s ASN 99 Ca 0.70 1.67 -0.09 0.00 0.21 0.00 0.00 52.86 55.35 1yjx s ASN 99 Cb -0.23 -2.57 0.24 0.00 -0.55 0.00 0.00 41.25 38.15 1yjx s ASN 99 CO 0.33 -0.37 1.80 0.11 -2.79 0.00 0.00 177.10 176.18 1yjx h LYS 100 N 6.96 0.63 -0.42 0.43 1.57 -1.27 -0.19 116.57 124.27 1yjx h LYS 100 Ca -0.37 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.36 1yjx h LYS 100 Cb 1.19 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 1yjx h LYS 100 CO 0.80 0.41 0.21 0.00 -0.57 0.00 0.00 179.45 180.31 1yjx h ALA 101 N 1.35 0.54 -0.60 3.86 0.00 -1.93 -1.23 119.26 121.24 1yjx h ALA 101 Ca 0.30 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1yjx h ALA 101 Cb 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1yjx h ALA 101 CO -0.19 0.08 -0.02 0.93 0.00 0.00 0.00 179.25 180.05 1yjx h GLU 102 N 0.54 1.08 -0.88 0.00 5.08 -1.85 -1.75 114.58 116.79 1yjx h GLU 102 Ca 0.14 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1yjx h GLU 102 Cb 0.09 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 1yjx h GLU 102 CO -0.02 1.06 0.49 1.15 -1.00 0.00 0.00 179.01 180.69 1yjx h THR 103 N 0.98 1.25 -0.65 1.13 2.02 -0.81 0.51 112.91 117.35 1yjx h THR 103 Ca 0.17 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.69 1yjx h THR 103 Cb 0.58 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1yjx h THR 103 CO 0.03 0.28 0.19 0.00 0.37 0.00 0.00 175.52 176.40 1yjx h ALA 104 N 1.27 1.12 0.01 6.16 0.00 -0.93 -1.94 119.26 124.95 1yjx h ALA 104 Ca 0.31 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1yjx h ALA 104 Cb 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1yjx h ALA 104 CO -0.05 0.60 -0.01 0.00 0.00 0.00 0.00 179.25 179.79 1yjx h ALA 105 N 1.25 -0.02 -0.15 0.00 0.00 -0.38 -0.99 119.26 118.97 1yjx h ALA 105 Ca 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1yjx h ALA 105 Cb 0.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1yjx h ALA 105 CO -0.01 -0.24 0.00 1.17 0.00 0.00 0.00 179.25 180.17 1yjx n LYS 106 N -4.84 1.44 0.00 0.00 0.00 0.17 -3.88 118.16 111.04 1yjx n LYS 106 Ca -0.09 -0.58 0.00 0.00 0.00 0.00 0.00 58.31 57.65 1yjx n LYS 106 Cb 0.27 -1.21 0.00 0.00 0.00 0.00 0.00 35.03 34.09 1yjx n LYS 106 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1yjx n HIS 107 N -0.02 0.00 -0.08 5.64 8.25 -0.73 -5.01 115.22 123.28 1yjx n HIS 107 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1yjx n HIS 107 Cb 0.19 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.30 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 0.33 0.40 -1.41 0.00 -0.41 -4.35 105.19 99.74 1yjx n GLY 108 Ca 0.00 -1.17 0.25 0.00 0.00 0.00 0.00 46.02 45.10 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 0.34 -0.33 1.61 4.39 -1.79 0.27 114.58 119.06 1yjx h GLU 109 Ca 0.00 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.74 1yjx h GLU 109 Cb 0.00 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.51 1yjx h GLU 109 CO 0.00 0.22 -0.06 0.00 -1.16 0.00 0.00 179.01 178.01 1yjx h ALA 110 N 1.67 0.24 0.14 3.43 0.00 -1.89 0.19 119.26 123.04 1yjx h ALA 110 Ca 0.67 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.69 1yjx h ALA 110 Cb 1.70 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1yjx h ALA 110 CO -0.40 -0.45 -0.07 0.37 0.00 0.00 0.00 179.25 178.71 1yjx h GLN 111 N 0.02 -0.19 -0.58 0.00 5.75 -0.70 -3.10 115.11 116.31 1yjx h GLN 111 Ca 0.16 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.72 1yjx h GLN 111 Cb 0.24 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 1yjx h GLN 111 CO -0.32 0.18 0.39 0.28 -2.65 0.00 0.00 178.83 176.70 1yjx h VAL 112 N -0.58 1.02 -0.41 2.39 2.07 -1.22 -0.10 116.25 119.43 1yjx h VAL 112 Ca -0.02 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1yjx h VAL 112 Cb 0.45 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1yjx h VAL 112 CO 0.03 0.11 0.06 0.11 0.02 0.00 0.00 177.57 177.90 1yjx h LYS 113 N 0.60 0.62 0.00 1.57 6.56 -0.98 0.21 116.57 125.16 1yjx h LYS 113 Ca 0.25 -0.12 -0.00 0.00 -1.06 0.00 0.00 60.65 59.71 1yjx h LYS 113 Cb 0.21 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.78 1yjx h LYS 113 CO -0.07 0.60 -0.00 0.82 -2.06 0.00 0.00 179.45 178.74 1yjx h ILE 114 N 0.60 1.06 -0.43 1.86 1.08 -0.95 -1.28 117.51 119.45 1yjx h ILE 114 Ca 0.13 -0.19 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 1yjx h ILE 114 Cb 0.29 1.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.21 1yjx h ILE 114 CO 0.00 0.05 0.22 -0.50 -0.69 0.00 0.00 178.15 177.23 1yjx h TRP 115 N -0.08 0.61 0.00 1.37 6.55 -1.01 -0.62 115.95 122.76 1yjx h TRP 115 Ca -0.00 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.81 1yjx h TRP 115 Cb 0.08 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 28.19 1yjx h TRP 115 CO -0.05 0.49 -0.14 0.00 -1.05 0.00 0.00 178.44 177.68 1yjx h ARG 116 N 0.55 0.00 0.00 0.49 3.08 -0.93 -3.41 114.38 114.17 1yjx h ARG 116 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1yjx h ARG 116 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1yjx h ARG 116 CO -0.02 0.00 -0.42 0.54 -1.07 0.00 0.00 179.97 179.00 1yjx n ARG 117 N -2.99 3.08 -1.67 0.04 1.74 -0.49 -5.06 116.66 111.32 1yjx n ARG 117 Ca 0.04 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.75 1yjx n ARG 117 Cb 0.53 -0.67 0.07 0.00 -1.02 0.00 0.00 32.46 31.37 1yjx n ARG 117 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1yjx n SER 118 N -0.71 1.94 0.10 0.55 3.41 -0.24 -4.91 113.62 113.77 1yjx n SER 118 Ca 0.00 0.81 -0.23 0.00 -0.26 0.00 0.00 58.87 59.19 1yjx n SER 118 Cb 0.00 -1.55 -0.15 0.00 -0.26 0.00 0.00 64.21 62.26 1yjx n SER 118 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1yjx h TYR 119 N 0.39 0.87 0.00 7.33 3.20 -1.95 -3.41 116.97 123.42 1yjx h TYR 119 Ca -0.50 -0.60 0.00 0.00 3.14 0.00 0.00 58.73 60.76 1yjx h TYR 119 Cb 1.34 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.56 1yjx h TYR 119 CO 0.41 1.46 -0.03 -0.40 -1.64 0.00 0.00 178.16 177.96 1yjx n ASP 120 N -3.87 1.97 -4.37 -2.11 5.68 -1.26 -1.16 116.55 111.42 1yjx n ASP 120 Ca -0.15 -2.49 -0.43 0.00 -0.50 0.00 0.00 54.79 51.22 1yjx n ASP 120 Cb 0.98 -0.22 -0.09 0.00 -1.14 0.00 0.00 41.12 40.65 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 -1.82 4.98 0.55 2.12 1.01 -1.26 -4.91 120.40 121.06 1yjx s VAL 121 Ca 0.16 -1.05 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 1yjx s VAL 121 Cb 0.14 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1yjx s VAL 121 CO 0.01 -0.49 1.07 -2.16 0.00 0.00 0.00 175.10 173.53 1yjx s PRO 122 N 1.60 3.44 0.98 2.72 0.04 -1.26 -4.68 135.00 137.84 1yjx s PRO 122 Ca 0.04 1.35 -0.14 0.00 0.04 0.00 0.00 61.00 62.29 1yjx s PRO 122 Cb -0.23 -2.04 0.18 0.00 0.04 0.00 0.00 34.50 32.45 1yjx s PRO 122 CO 0.06 -0.73 1.15 -1.25 0.04 0.00 0.00 177.00 176.27 1yjx s PRO 123 N -3.63 0.56 0.44 0.56 0.04 -1.26 -4.95 135.00 126.76 1yjx s PRO 123 Ca 0.67 0.17 -0.24 0.00 0.04 0.00 0.00 61.00 61.64 1yjx s PRO 123 Cb -0.18 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 1yjx s PRO 123 CO 0.29 -2.57 1.16 -2.30 0.04 0.00 0.00 177.00 173.63 1yjx n PRO 124 N -4.00 1.64 -1.66 0.56 -0.02 -1.26 -4.80 135.00 125.45 1yjx n PRO 124 Ca 0.08 0.59 -0.35 0.00 -2.02 0.00 0.00 63.50 61.80 1yjx n PRO 124 Cb 0.59 -2.26 0.07 0.00 -0.02 0.00 0.00 33.50 31.88 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 -2.22 2.49 -0.53 0.52 0.02 -1.26 0.01 135.00 134.03 1yjx s PRO 125 Ca 0.63 1.76 -0.23 0.00 0.02 0.00 0.00 61.00 63.19 1yjx s PRO 125 Cb -0.51 -1.87 0.04 0.00 0.02 0.00 0.00 34.50 32.17 1yjx s PRO 125 CO 0.56 -1.57 0.86 1.41 -0.33 0.00 0.00 177.00 177.93 1yjx s MET 126 N -3.72 3.30 0.55 5.54 1.75 -0.06 -3.45 119.30 123.21 1yjx s MET 126 Ca 0.75 -0.36 -0.18 0.00 -1.25 0.00 0.00 55.69 54.66 1yjx s MET 126 Cb -0.29 -4.05 -0.06 0.00 2.84 0.00 0.00 34.83 33.27 1yjx s MET 126 CO 0.41 -1.38 1.05 -1.21 -0.65 0.00 0.00 175.02 173.24 1yjx s GLU 127 N 3.61 3.53 0.57 4.11 0.41 -1.26 -4.93 118.70 124.74 1yjx s GLU 127 Ca 0.27 1.29 0.26 0.00 -0.41 0.00 0.00 54.97 56.38 1yjx s GLU 127 Cb -0.14 -2.06 1.42 0.00 -1.78 0.00 0.00 34.13 31.57 1yjx s GLU 127 CO 0.18 -0.65 1.77 -1.35 -0.49 0.00 0.00 175.26 174.73 1yjx h PRO 128 N 0.95 0.00 -0.48 0.39 0.11 -1.99 0.39 132.00 131.37 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 -2.66 3.32 -4.77 -2.05 5.75 -1.26 -4.80 116.55 110.09 1yjx n ASP 129 Ca -0.02 -1.97 -0.40 0.00 -0.01 0.00 0.00 54.79 52.39 1yjx n ASP 129 Cb 0.33 -0.32 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 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 -1.37 3.16 0.62 2.11 2.46 0.14 -4.89 115.29 117.51 1yjx s HIS 130 Ca 0.40 1.51 0.27 0.00 0.47 0.00 0.00 55.06 57.71 1yjx s HIS 130 Cb 0.22 -3.53 1.36 0.00 -0.13 0.00 0.00 32.58 30.50 1yjx s HIS 130 CO 0.31 -1.47 1.78 -1.35 -2.47 0.00 0.00 174.74 171.53 1yjx h PRO 131 N 3.28 0.00 -0.00 2.88 0.11 -1.92 -1.13 132.00 135.22 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 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 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 -3.32 0.01 0.12 0.65 3.72 -1.26 -4.79 117.46 112.60 1yjx n PHE 132 Ca 0.06 -0.77 -0.13 0.00 -0.05 0.00 0.00 57.45 56.56 1yjx n PHE 132 Cb 0.69 -0.11 -0.08 0.00 -0.94 0.00 0.00 39.48 39.05 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 0.02 -1.16 -0.41 1.38 3.20 -1.47 -0.79 116.97 117.74 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 0.78 0.48 -0.02 0.00 1.54 0.00 0.00 36.73 39.51 1yjx h TYR 133 CO 0.00 -0.48 0.23 0.77 -1.64 0.00 0.00 178.16 177.05 1yjx h SER 134 N -0.63 0.50 -1.00 -2.11 0.02 -1.87 0.47 113.55 108.93 1yjx h SER 134 Ca -0.02 -0.08 0.21 0.00 -0.84 0.00 0.00 61.79 61.06 1yjx h SER 134 Cb 0.61 -0.13 -0.11 0.00 0.14 0.00 0.00 62.40 62.91 1yjx h SER 134 CO -0.18 0.44 0.61 -1.13 -1.14 0.00 0.00 176.83 175.43 1yjx h ASN 135 N 0.53 0.72 0.00 3.07 -0.73 -1.81 -1.55 115.58 115.80 1yjx h ASN 135 Ca 0.14 0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.42 1yjx h ASN 135 Cb 0.04 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.62 1yjx h ASN 135 CO -0.02 0.21 0.00 -0.38 -0.37 0.00 0.00 177.43 176.86 1yjx n ILE 136 N -4.78 0.00 -0.12 2.57 2.08 -0.32 -4.22 119.36 114.57 1yjx n ILE 136 Ca 0.24 0.22 0.08 0.00 0.56 0.00 0.00 62.75 63.85 1yjx n ILE 136 Cb 0.65 -1.10 0.41 0.00 -0.75 0.00 0.00 39.64 38.86 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 0.54 -0.47 4.38 4.64 -1.03 -0.80 113.55 120.81 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 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1yjx h SER 137 CO 0.00 0.35 0.00 0.29 -0.87 0.00 0.00 176.83 176.60 1yjx n LYS 138 N -4.48 2.89 -2.39 4.77 4.76 -0.62 -4.89 118.16 118.21 1yjx n LYS 138 Ca 0.09 -2.03 -0.42 0.00 -2.87 0.00 0.00 58.31 53.08 1yjx n LYS 138 Cb 0.25 -1.69 -0.03 0.00 -1.84 0.00 0.00 35.03 31.72 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 -0.80 7.00 0.38 4.39 3.68 -0.31 -4.88 116.67 126.13 1yjx s ASP 139 Ca 0.37 1.92 0.22 0.00 2.13 0.00 0.00 52.55 57.18 1yjx s ASP 139 Cb 0.23 -2.56 1.35 0.00 -1.45 0.00 0.00 42.92 40.49 1yjx s ASP 139 CO 0.18 -0.60 1.59 -0.09 0.13 0.00 0.00 175.17 176.38 1yjx h ARG 140 N 7.46 0.03 -0.98 4.34 2.43 -1.91 -0.51 114.38 125.25 1yjx h ARG 140 Ca -0.36 -0.00 0.33 0.00 -0.81 0.00 0.00 59.98 59.14 1yjx h ARG 140 Cb 1.17 -0.01 -0.17 0.00 -0.42 0.00 0.00 29.97 30.55 1yjx h ARG 140 CO 0.88 0.02 0.39 -0.09 -1.51 0.00 0.00 179.97 179.66 1yjx h ARG 141 N 0.03 0.12 -0.51 0.20 2.43 -1.92 0.02 114.38 114.74 1yjx h ARG 141 Ca 0.84 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 60.01 1yjx h ARG 141 Cb 2.28 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.81 1yjx h ARG 141 CO -0.71 0.08 0.00 0.66 -1.51 0.00 0.00 179.97 178.48 1yjx n TYR 142 N -5.25 1.65 -0.25 2.20 4.01 -0.20 -4.67 117.16 114.65 1yjx n TYR 142 Ca 0.31 -0.73 0.15 0.00 -0.16 0.00 0.00 57.90 57.47 1yjx n TYR 142 Cb 1.00 -0.40 0.44 0.00 -0.31 0.00 0.00 39.34 40.07 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 3.46 2.00 -0.07 -0.72 0.00 -1.07 -1.39 119.26 121.46 1yjx h ALA 143 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yjx h ALA 143 Cb 1.71 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1yjx h ALA 143 CO 0.36 -0.26 0.00 -0.25 0.00 0.00 0.00 179.25 179.10 1yjx n ASP 144 N -4.55 0.68 -4.71 0.00 8.00 -1.26 -4.84 116.55 109.87 1yjx n ASP 144 Ca 0.18 -1.58 -0.42 0.00 0.71 0.00 0.00 54.79 53.68 1yjx n ASP 144 Cb 0.58 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 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 -1.52 4.35 1.13 0.64 2.01 -0.53 -5.02 118.68 119.74 1yjx s LEU 145 Ca 0.27 1.85 -0.13 0.00 0.01 0.00 0.00 54.13 56.14 1yjx s LEU 145 Cb 0.14 -3.57 0.26 0.00 0.01 0.00 0.00 46.19 43.02 1yjx s LEU 145 CO 0.22 -0.43 1.05 0.42 1.01 0.00 0.00 176.35 178.62 1yjx s THR 146 N 1.30 1.98 0.38 5.49 -4.23 -1.26 -4.72 115.64 114.57 1yjx s THR 146 Ca 0.56 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.13 1yjx s THR 146 Cb -0.26 -2.23 0.20 0.00 1.34 0.00 0.00 72.50 71.55 1yjx s THR 146 CO 0.27 0.00 1.96 -0.08 -0.54 0.00 0.00 174.62 176.23 1yjx h GLU 147 N -2.43 0.46 -0.20 3.99 4.57 -1.95 -2.55 114.58 116.47 1yjx h GLU 147 Ca -0.59 -0.07 -0.16 0.00 -1.18 0.00 0.00 59.36 57.35 1yjx h GLU 147 Cb 1.34 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.84 1yjx h GLU 147 CO 0.53 0.43 -0.55 -0.44 -1.18 0.00 0.00 179.01 177.80 1yjx h ASP 148 N 0.45 0.68 -0.12 1.04 3.32 -2.03 -3.30 116.42 116.45 1yjx h ASP 148 Ca 0.11 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 1yjx h ASP 148 Cb 0.19 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 1yjx h ASP 148 CO -0.00 1.09 0.02 1.56 -1.72 0.00 0.00 179.24 180.18 1yjx h GLN 149 N 0.47 0.20 -6.13 3.56 4.20 -1.80 -3.41 115.11 112.20 1yjx h GLN 149 Ca 0.01 -0.05 -0.58 0.00 0.06 0.00 0.00 58.65 58.09 1yjx h GLN 149 Cb 1.10 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.85 1yjx h GLN 149 CO 0.11 0.39 1.38 -1.17 -0.67 0.00 0.00 178.83 178.86 1yjx s LEU 150 N -9.66 3.58 0.50 1.46 1.98 -1.07 -4.95 118.68 110.53 1yjx s LEU 150 Ca -0.14 1.77 -0.08 0.00 -2.89 0.00 0.00 54.13 52.79 1yjx s LEU 150 Cb 0.06 -3.52 -0.04 0.00 0.66 0.00 0.00 46.19 43.34 1yjx s LEU 150 CO 0.70 -1.75 0.85 -2.16 -1.89 0.00 0.00 176.35 172.10 1yjx s PRO 151 N 5.84 3.61 0.00 0.98 0.04 -1.26 -4.96 135.00 139.25 1yjx s PRO 151 Ca 0.91 0.40 0.10 0.00 0.04 0.00 0.00 61.00 62.45 1yjx s PRO 151 Cb -0.30 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.90 1yjx s PRO 151 CO 0.35 -0.26 0.59 -1.13 0.04 0.00 0.00 177.00 176.58 1yjx n SER 152 N -2.18 1.03 0.00 6.66 3.41 -1.26 -4.98 113.62 116.29 1yjx n SER 152 Ca 0.02 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 1yjx n SER 152 Cb 0.55 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 65.11 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 0.31 0.36 0.00 2.02 -0.47 -4.93 118.70 113.99 1yjx s GLU 154 Ca 0.00 -0.07 0.03 0.00 0.02 0.00 0.00 54.97 54.94 1yjx s GLU 154 Cb 0.00 0.13 -0.02 0.00 0.10 0.00 0.00 34.13 34.35 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 -0.58 6.06 0.28 -0.19 1.04 -1.26 -4.39 113.70 114.66 1yjx s SER 155 Ca -0.07 0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.56 1yjx s SER 155 Cb -0.04 -1.64 0.58 0.00 0.10 0.00 0.00 66.02 65.02 1yjx s SER 155 CO 0.01 -0.44 1.81 0.25 0.98 0.00 0.00 173.24 175.85 1yjx h LEU 156 N 0.72 0.83 -1.33 2.42 5.85 -1.76 0.60 115.31 122.63 1yjx h LEU 156 Ca -0.48 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1yjx h LEU 156 Cb 1.24 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1yjx h LEU 156 CO 0.58 0.40 0.39 0.50 -0.34 0.00 0.00 178.44 179.97 1yjx h LYS 157 N 0.88 0.84 0.52 1.25 3.64 -1.48 -2.18 116.57 120.04 1yjx h LYS 157 Ca 0.51 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.80 1yjx h LYS 157 Cb 0.60 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1yjx h LYS 157 CO -0.30 0.58 -0.25 -0.44 -2.27 0.00 0.00 179.45 176.76 1yjx h ASP 158 N 0.86 -0.60 -0.65 4.20 3.32 -0.17 -2.76 116.42 120.61 1yjx h ASP 158 Ca 0.23 -0.05 0.10 0.00 0.02 0.00 0.00 57.03 57.33 1yjx h ASP 158 Cb -0.05 0.15 -0.12 0.00 0.22 0.00 0.00 39.33 39.53 1yjx h ASP 158 CO -0.05 -0.21 -0.39 0.74 -1.72 0.00 0.00 179.24 177.62 1yjx h THR 159 N -1.07 0.11 -0.28 0.35 2.02 -0.86 -1.22 112.91 111.96 1yjx h THR 159 Ca -0.07 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.17 1yjx h THR 159 Cb 0.61 0.11 -0.08 0.00 -1.74 0.00 0.00 68.15 67.05 1yjx h THR 159 CO 0.12 0.00 -0.31 0.40 0.37 0.00 0.00 175.52 176.09 1yjx h ILE 160 N -0.16 0.27 -0.86 3.11 2.04 -1.46 -1.17 117.51 119.27 1yjx h ILE 160 Ca 0.23 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.33 1yjx h ILE 160 Cb 0.56 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 1yjx h ILE 160 CO -0.73 0.00 0.61 0.00 0.00 0.00 0.00 178.15 178.03 1yjx h ALA 161 N 0.64 2.70 -0.00 1.87 0.00 -0.92 -0.03 119.26 123.51 1yjx h ALA 161 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1yjx h ALA 161 Cb 0.53 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1yjx h ALA 161 CO -0.45 -0.95 -0.72 2.89 0.00 0.00 0.00 179.25 180.01 1yjx n ARG 162 N -4.32 0.31 -0.01 0.00 -4.01 -0.55 -4.22 116.66 103.85 1yjx n ARG 162 Ca 0.18 -0.24 -0.21 0.00 -1.04 0.00 0.00 57.85 56.54 1yjx n ARG 162 Cb 0.89 -1.50 -0.14 0.00 -3.04 0.00 0.00 32.46 28.67 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 -1.14 0.94 -0.10 2.89 0.00 -0.15 -4.37 120.51 118.58 1yjx n ALA 163 Ca 0.06 -0.64 0.01 0.00 0.00 0.00 0.00 53.44 52.87 1yjx n ALA 163 Cb 0.36 -0.63 0.30 0.00 0.00 0.00 0.00 19.45 19.48 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 0.07 0.67 -2.09 0.00 -0.00 -1.40 -1.84 115.31 110.72 1yjx h LEU 164 Ca -0.44 -0.05 0.02 0.00 -0.00 0.00 0.00 57.88 57.42 1yjx h LEU 164 Cb 2.02 -0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 42.51 1yjx h LEU 164 CO 0.07 0.55 0.06 -0.65 -0.00 0.00 0.00 178.44 178.48 1yjx h PRO 165 N 0.77 0.00 0.01 1.13 0.11 -1.76 0.31 132.00 132.56 1yjx h PRO 165 Ca 0.20 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 1yjx h PRO 165 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1yjx h PRO 165 CO -0.03 0.00 -0.17 0.35 -0.21 0.00 0.00 178.00 177.94 1yjx h PHE 166 N 0.00 0.16 -0.46 0.65 3.57 -1.57 -0.01 116.94 119.27 1yjx h PHE 166 Ca 0.04 -0.09 0.09 0.00 3.53 0.00 0.00 57.97 61.53 1yjx h PHE 166 Cb 0.16 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 38.82 1yjx h PHE 166 CO 0.00 0.93 0.01 2.35 -2.23 0.00 0.00 178.31 179.37 1yjx h TRP 167 N -0.66 -0.00 0.14 0.41 2.91 -0.64 0.85 115.95 118.95 1yjx h TRP 167 Ca -0.02 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.02 1yjx h TRP 167 Cb 0.99 0.07 0.00 0.00 -0.51 0.00 0.00 29.16 29.71 1yjx h TRP 167 CO 0.21 -0.09 -0.07 -0.91 -1.03 0.00 0.00 178.44 176.55 1yjx h ASN 168 N 0.13 -0.16 -0.24 2.65 2.35 -0.51 0.63 115.58 120.42 1yjx h ASN 168 Ca 0.23 -0.39 -0.13 0.00 -0.55 0.00 0.00 56.30 55.47 1yjx h ASN 168 Cb 0.34 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1yjx h ASN 168 CO -0.37 0.38 -0.30 -0.33 -1.65 0.00 0.00 177.43 175.16 1yjx h GLU 169 N -0.78 0.75 0.00 0.81 5.08 -0.83 -3.36 114.58 116.25 1yjx h GLU 169 Ca -0.02 -0.34 -0.26 0.00 -1.00 0.00 0.00 59.36 57.75 1yjx h GLU 169 Cb 0.54 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1yjx h GLU 169 CO 0.03 0.95 -1.92 0.39 -1.00 0.00 0.00 179.01 177.46 1yjx n GLU 170 N -4.08 0.38 -0.06 2.33 -0.58 0.29 -4.68 120.64 114.24 1yjx n GLU 170 Ca -0.01 0.12 -0.06 0.00 -0.42 0.00 0.00 57.16 56.79 1yjx n GLU 170 Cb 0.47 -1.22 -0.06 0.00 -0.57 0.00 0.00 31.44 30.07 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 -0.27 0.80 -0.75 -3.67 2.04 -0.98 -3.34 117.51 111.33 1yjx h ILE 171 Ca -0.39 -1.59 0.14 0.00 1.00 0.00 0.00 64.86 64.02 1yjx h ILE 171 Cb 1.47 1.52 -0.14 0.00 -0.74 0.00 0.00 36.82 38.93 1yjx h ILE 171 CO -0.15 0.27 -0.29 0.58 0.00 0.00 0.00 178.15 178.56 1yjx h VAL 172 N -1.00 0.15 -0.61 1.67 2.07 0.11 -0.03 116.25 118.61 1yjx h VAL 172 Ca -0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1yjx h VAL 172 Cb 0.45 0.15 -0.12 0.00 -1.52 0.00 0.00 31.29 30.26 1yjx h VAL 172 CO 0.00 0.00 -0.14 -0.65 0.02 0.00 0.00 177.57 176.80 1yjx h PRO 173 N -0.07 0.01 -0.24 1.57 0.11 -1.74 0.21 132.00 131.85 1yjx h PRO 173 Ca 0.31 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.47 1yjx h PRO 173 Cb 0.57 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.64 1yjx h PRO 173 CO -0.79 0.01 -0.03 1.96 -0.21 0.00 0.00 178.00 178.93 1yjx h GLN 174 N 0.01 0.04 -0.58 1.05 1.08 -1.15 -1.94 115.11 113.62 1yjx h GLN 174 Ca 0.30 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.53 1yjx h GLN 174 Cb 0.46 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.84 1yjx h GLN 174 CO -0.62 0.03 0.34 0.82 -0.95 0.00 0.00 178.83 178.44 1yjx h ILE 175 N 0.04 1.03 0.00 2.54 2.04 -0.51 -0.73 117.51 121.92 1yjx h ILE 175 Ca 0.12 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1yjx h ILE 175 Cb 0.16 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1yjx h ILE 175 CO -0.22 0.12 -0.02 0.11 0.00 0.00 0.00 178.15 178.14 1yjx h LYS 176 N 0.65 0.00 -0.98 2.37 1.57 -0.43 0.13 116.57 119.88 1yjx h LYS 176 Ca 0.24 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.60 1yjx h LYS 176 Cb 0.07 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.13 1yjx h LYS 176 CO -0.13 0.02 0.54 0.39 -0.57 0.00 0.00 179.45 179.70 1yjx n GLU 177 N -3.56 2.19 -0.96 3.15 1.02 -0.33 -4.88 120.64 117.27 1yjx n GLU 177 Ca -0.03 -2.59 0.00 0.00 -0.02 0.00 0.00 57.16 54.52 1yjx n GLU 177 Cb 0.11 -2.02 0.00 0.00 -0.02 0.00 0.00 31.44 29.51 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 -0.84 0.16 3.71 0.62 0.00 0.44 -4.96 105.19 104.32 1yjx n GLY 178 Ca 0.50 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.33 4.40 -0.53 1.61 -0.14 -0.93 -4.96 119.74 117.87 1yjx s LYS 179 Ca 0.00 1.85 -0.28 0.00 -1.36 0.00 0.00 55.97 56.17 1yjx s LYS 179 Cb 0.00 -3.32 0.03 0.00 -1.68 0.00 0.00 37.83 32.86 1yjx s LYS 179 CO 0.00 -0.30 1.15 1.03 -0.76 0.00 0.00 175.35 176.47 1yjx s ARG 180 N 1.08 3.61 0.17 1.68 3.00 -1.26 -4.32 118.95 122.91 1yjx s ARG 180 Ca 0.60 0.39 -0.14 0.00 0.00 0.00 0.00 55.73 56.58 1yjx s ARG 180 Cb -0.31 -3.96 -0.07 0.00 0.00 0.00 0.00 34.95 30.61 1yjx s ARG 180 CO 0.29 -1.52 0.57 0.08 0.00 0.00 0.00 175.30 174.73 1yjx s VAL 181 N 4.64 4.84 -0.12 3.52 1.01 -1.26 -0.55 120.40 132.49 1yjx s VAL 181 Ca 0.45 0.81 0.00 0.00 0.00 0.00 0.00 61.98 63.24 1yjx s VAL 181 Cb -0.07 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1yjx s VAL 181 CO 0.29 0.17 -0.10 -0.22 0.00 0.00 0.00 175.10 175.24 1yjx s LEU 182 N -2.13 1.40 -0.23 3.92 2.96 -0.91 -2.36 118.68 121.32 1yjx s LEU 182 Ca 0.40 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 1yjx s LEU 182 Cb -0.14 -0.94 0.02 0.00 0.50 0.00 0.00 46.19 45.62 1yjx s LEU 182 CO 0.19 -0.08 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.43 1yjx s ILE 183 N 1.48 2.81 -0.38 6.68 1.01 -0.24 -1.08 121.20 131.49 1yjx s ILE 183 Ca 0.02 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 1yjx s ILE 183 Cb -0.13 -2.36 0.05 0.00 0.01 0.00 0.00 42.46 40.03 1yjx s ILE 183 CO -0.07 0.30 0.18 0.00 0.00 0.00 0.00 174.94 175.36 1yjx s ALA 184 N 1.34 3.18 0.00 9.38 0.00 -0.39 -0.77 121.76 134.51 1yjx s ALA 184 Ca 0.02 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.08 1yjx s ALA 184 Cb -0.16 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.49 1yjx s ALA 184 CO -0.06 -1.47 0.00 0.00 0.00 0.00 0.00 175.76 174.23 1yjx n ALA 185 N 4.88 0.00 -2.54 0.00 0.00 -0.64 -3.85 120.51 118.37 1yjx n ALA 185 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.09 1yjx n ALA 185 Cb 0.44 0.00 -0.08 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 1.02 2.61 0.12 0.00 3.76 -1.26 -2.19 115.29 119.34 1yjx s HIS 186 Ca 0.00 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.22 1yjx s HIS 186 Cb 0.00 -1.50 -0.10 0.00 1.11 0.00 0.00 32.58 32.09 1yjx s HIS 186 CO 0.00 0.45 1.49 0.78 -0.85 0.00 0.00 174.74 176.60 1yjx h GLY 187 N 1.73 -1.12 1.18 -2.22 0.00 -1.96 0.11 103.07 100.79 1yjx h GLY 187 Ca -0.43 0.73 -0.12 0.00 0.00 0.00 0.00 47.33 47.50 1yjx h GLY 187 CO 0.65 -0.19 -0.20 3.43 0.00 0.00 0.00 176.54 180.23 1yjx h ASN 188 N -0.36 0.96 -0.47 0.19 2.35 -1.97 -0.53 115.58 115.75 1yjx h ASN 188 Ca 0.06 -0.35 -0.08 0.00 -0.55 0.00 0.00 56.30 55.38 1yjx h ASN 188 Cb 0.53 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.62 1yjx h ASN 188 CO -0.52 1.13 -0.03 0.77 -1.65 0.00 0.00 177.43 177.13 1yjx h SER 189 N 0.82 0.83 -0.49 5.81 4.64 -1.74 -2.45 113.55 120.98 1yjx h SER 189 Ca 0.11 -0.32 -0.03 0.00 -0.47 0.00 0.00 61.79 61.08 1yjx h SER 189 Cb 0.76 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.60 1yjx h SER 189 CO 0.06 0.95 0.22 -0.07 -0.87 0.00 0.00 176.83 177.12 1yjx h LEU 190 N 0.69 0.69 -0.91 5.97 3.38 -0.66 -1.30 115.31 123.17 1yjx h LEU 190 Ca 0.13 -0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.10 1yjx h LEU 190 Cb 0.55 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.05 1yjx h LEU 190 CO 0.03 0.62 0.56 0.03 0.09 0.00 0.00 178.44 179.78 1yjx h ARG 191 N 0.76 0.95 -0.26 1.13 3.08 -0.65 -0.50 114.38 118.88 1yjx h ARG 191 Ca 0.18 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.23 1yjx h ARG 191 Cb 0.15 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 29.93 1yjx h ARG 191 CO -0.02 0.63 -0.05 0.78 -1.07 0.00 0.00 179.97 180.24 1yjx h GLY 192 N 0.98 0.20 0.98 0.04 0.00 -0.80 0.43 103.07 104.90 1yjx h GLY 192 Ca 0.42 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.82 1yjx h GLY 192 CO -0.21 -0.09 -0.10 -2.22 0.00 0.00 0.00 176.54 173.92 1yjx h ILE 193 N 0.02 0.81 -0.22 2.60 5.03 -1.12 -1.79 117.51 122.84 1yjx h ILE 193 Ca 0.13 -0.05 0.05 0.00 -0.12 0.00 0.00 64.86 64.86 1yjx h ILE 193 Cb 0.19 0.84 -0.05 0.00 -3.03 0.00 0.00 36.82 34.78 1yjx h ILE 193 CO -0.26 0.01 -0.07 0.58 -0.68 0.00 0.00 178.15 177.73 1yjx h VAL 194 N -0.29 0.73 -0.90 1.67 2.07 -0.66 0.87 116.25 119.73 1yjx h VAL 194 Ca -0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.59 1yjx h VAL 194 Cb 0.23 0.73 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 1yjx h VAL 194 CO 0.05 0.00 0.54 0.50 0.02 0.00 0.00 177.57 178.68 1yjx h LYS 195 N -0.03 0.88 -0.06 1.57 3.64 -0.03 -0.16 116.57 122.37 1yjx h LYS 195 Ca 0.11 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1yjx h LYS 195 Cb 0.20 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1yjx h LYS 195 CO -0.24 0.58 -0.00 1.25 -2.27 0.00 0.00 179.45 178.76 1yjx h HIS 196 N 0.90 0.13 0.01 1.91 2.76 -0.41 0.19 115.15 120.64 1yjx h HIS 196 Ca 0.43 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.58 1yjx h HIS 196 Cb 0.38 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.30 1yjx h HIS 196 CO -0.04 0.41 -0.01 -0.07 -1.30 0.00 0.00 177.93 176.92 1yjx h LEU 197 N -0.19 -0.03 -0.61 0.26 3.38 -0.39 -3.02 115.31 114.71 1yjx h LEU 197 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1yjx h LEU 197 Cb 0.36 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1yjx h LEU 197 CO 0.00 -0.02 -0.09 -0.62 0.09 0.00 0.00 178.44 177.80 1yjx n GLU 198 N -5.11 1.19 -3.89 1.13 1.02 -0.11 -4.44 120.64 110.43 1yjx n GLU 198 Ca -0.07 -0.61 -0.30 0.00 -0.02 0.00 0.00 57.16 56.16 1yjx n GLU 198 Cb 0.04 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.01 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 1.23 -0.50 3.79 0.62 0.00 0.62 -4.94 105.19 106.01 1yjx n GLY 199 Ca 0.17 0.20 -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 -7.29 3.43 0.78 0.99 1.43 -0.90 -5.04 118.68 112.08 1yjx s LEU 200 Ca 0.66 1.88 -0.12 0.00 -1.03 0.00 0.00 54.13 55.52 1yjx s LEU 200 Cb -0.33 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.42 1yjx s LEU 200 CO 0.82 -1.38 1.11 -0.94 0.23 0.00 0.00 176.35 176.20 1yjx s SER 201 N -2.76 4.69 0.23 2.29 1.04 -1.26 -4.84 113.70 113.08 1yjx s SER 201 Ca 0.65 1.16 -0.07 0.00 0.48 0.00 0.00 55.95 58.16 1yjx s SER 201 Cb -0.18 -1.87 0.20 0.00 0.10 0.00 0.00 66.02 64.28 1yjx s SER 201 CO 0.40 -1.83 1.85 -0.33 0.98 0.00 0.00 173.24 174.31 1yjx h GLU 202 N -0.99 1.24 0.15 4.02 5.08 -1.99 -1.22 114.58 120.87 1yjx h GLU 202 Ca -0.47 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 57.77 1yjx h GLU 202 Cb 1.28 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 1yjx h GLU 202 CO 0.62 0.90 -0.30 0.93 -1.00 0.00 0.00 179.01 180.16 1yjx h GLU 203 N 1.24 -0.52 -0.70 2.33 4.39 -2.00 -1.81 114.58 117.51 1yjx h GLU 203 Ca 0.31 0.04 0.01 0.00 0.34 0.00 0.00 59.36 60.06 1yjx h GLU 203 Cb 0.02 0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 1yjx h GLU 203 CO -0.05 -0.34 0.46 0.00 -1.16 0.00 0.00 179.01 177.91 1yjx h ALA 204 N 0.13 0.90 -0.11 3.43 0.00 -1.84 -2.79 119.26 118.97 1yjx h ALA 204 Ca 0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1yjx h ALA 204 Cb 0.55 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1yjx h ALA 204 CO -0.15 0.28 -0.27 0.97 0.00 0.00 0.00 179.25 180.08 1yjx h ILE 205 N 0.92 1.24 0.00 0.00 6.09 -0.99 -1.63 117.51 123.14 1yjx h ILE 205 Ca 0.27 -1.12 -0.06 0.00 -1.37 0.00 0.00 64.86 62.58 1yjx h ILE 205 Cb -0.07 1.45 -0.01 0.00 0.47 0.00 0.00 36.82 38.67 1yjx h ILE 205 CO -0.07 0.34 -0.28 0.24 -3.07 0.00 0.00 178.15 175.30 1yjx h MET 206 N 0.18 0.00 0.00 2.19 2.86 -1.07 -3.02 114.93 116.07 1yjx h MET 206 Ca 0.03 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.47 1yjx h MET 206 Cb 0.57 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.20 1yjx h MET 206 CO 0.04 0.28 -1.19 0.93 1.06 0.00 0.00 176.91 178.03 1yjx h GLU 207 N 0.00 0.00 -6.52 1.72 3.07 -1.21 -3.47 114.58 108.17 1yjx h GLU 207 Ca -0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.33 1yjx h GLU 207 Cb 0.72 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.65 1yjx h GLU 207 CO 0.04 0.56 0.71 -1.17 -1.40 0.00 0.00 179.01 177.74 1yjx s LEU 208 N -6.23 4.37 -0.29 1.33 2.96 -0.68 -5.02 118.68 115.12 1yjx s LEU 208 Ca -0.01 2.25 -0.00 0.00 -0.22 0.00 0.00 54.13 56.15 1yjx s LEU 208 Cb 0.09 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.28 1yjx s LEU 208 CO 0.80 -0.63 0.07 0.20 -1.32 0.00 0.00 176.35 175.48 1yjx s ASN 209 N 1.17 3.94 0.41 3.68 -0.87 -1.26 -4.99 114.94 117.01 1yjx s ASN 209 Ca 0.63 -1.54 -0.26 0.00 -1.57 0.00 0.00 52.86 50.12 1yjx s ASN 209 Cb -0.35 -0.93 -0.09 0.00 -0.02 0.00 0.00 41.25 39.86 1yjx s ASN 209 CO 0.30 -0.38 1.36 -0.76 -2.57 0.00 0.00 177.10 175.04 1yjx s LEU 210 N 1.56 4.22 0.65 0.60 1.43 -1.26 -4.96 118.68 120.92 1yjx s LEU 210 Ca 0.07 2.77 -0.16 0.00 -1.03 0.00 0.00 54.13 55.78 1yjx s LEU 210 Cb -0.18 -3.86 -0.01 0.00 0.03 0.00 0.00 46.19 42.18 1yjx s LEU 210 CO -0.20 -0.91 1.14 -2.84 0.23 0.00 0.00 176.35 173.77 1yjx s PRO 211 N -2.23 2.79 0.05 1.29 0.02 -1.26 -5.03 135.00 130.63 1yjx s PRO 211 Ca 0.57 1.52 -0.04 0.00 0.02 0.00 0.00 61.00 63.07 1yjx s PRO 211 Cb -0.41 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.13 1yjx s PRO 211 CO 0.53 -1.28 0.26 0.95 -0.33 0.00 0.00 177.00 177.13 1yjx s THR 212 N -2.13 5.32 0.00 0.99 -4.23 -1.26 -4.32 115.64 110.00 1yjx s THR 212 Ca 0.70 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 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 0.64 0.52 3.65 3.99 0.00 0.11 -4.91 105.19 109.19 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 -1.83 5.19 0.07 -0.61 1.01 -1.26 -3.53 121.20 120.24 1yjx s ILE 214 Ca 0.00 0.12 -0.31 0.00 0.00 0.00 0.00 60.65 60.46 1yjx s ILE 214 Cb 0.00 -3.40 -0.10 0.00 0.01 0.00 0.00 42.46 38.97 1yjx s ILE 214 CO 0.00 0.38 1.92 -2.65 0.00 0.00 0.00 174.94 174.59 1yjx n PRO 215 N 4.09 2.83 -3.62 2.79 -0.02 -1.26 -4.59 135.00 135.23 1yjx n PRO 215 Ca -0.16 1.04 -0.39 0.00 -2.02 0.00 0.00 63.50 61.98 1yjx n PRO 215 Cb 0.52 -2.97 -0.11 0.00 -0.02 0.00 0.00 33.50 30.92 1yjx n PRO 215 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1yjx s ILE 216 N 3.76 4.97 -0.18 4.25 1.01 0.82 -1.86 121.20 133.97 1yjx s ILE 216 Ca 0.86 -0.14 -0.08 0.00 0.00 0.00 0.00 60.65 61.30 1yjx s ILE 216 Cb -0.46 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1yjx s ILE 216 CO 0.40 0.15 0.07 -0.69 0.00 0.00 0.00 174.94 174.87 1yjx s VAL 217 N 1.69 4.81 0.01 2.92 1.01 0.11 -0.19 120.40 130.76 1yjx s VAL 217 Ca 0.06 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 62.09 1yjx s VAL 217 Cb -0.17 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 1yjx s VAL 217 CO 0.09 0.46 -0.25 -0.31 0.00 0.00 0.00 175.10 175.08 1yjx s TYR 218 N 0.40 2.37 -0.27 5.22 1.51 0.68 -1.14 117.35 126.13 1yjx s TYR 218 Ca 0.03 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.71 1yjx s TYR 218 Cb -0.12 -1.46 0.05 0.00 -0.11 0.00 0.00 41.96 40.31 1yjx s TYR 218 CO 0.00 0.06 -0.08 -1.21 -1.11 0.00 0.00 175.55 173.21 1yjx s GLU 219 N -0.93 2.36 0.05 -0.62 2.02 -1.26 -1.03 118.70 119.30 1yjx s GLU 219 Ca 0.11 -1.28 0.02 0.00 0.02 0.00 0.00 54.97 53.84 1yjx s GLU 219 Cb -0.10 -2.95 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 1yjx s GLU 219 CO 0.01 -0.55 0.09 -0.51 0.02 0.00 0.00 175.26 174.31 1yjx s LEU 220 N 1.16 3.85 0.00 1.80 1.43 -1.01 -1.00 118.68 124.92 1yjx s LEU 220 Ca -0.07 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 53.07 1yjx s LEU 220 Cb -0.19 -2.45 0.05 0.00 0.03 0.00 0.00 46.19 43.62 1yjx s LEU 220 CO -0.04 0.20 0.30 -0.90 0.23 0.00 0.00 176.35 176.14 1yjx n ASP 221 N 0.66 0.29 0.16 2.29 5.68 -0.52 0.06 116.55 125.17 1yjx n ASP 221 Ca -0.10 -1.27 0.11 0.00 -0.50 0.00 0.00 54.79 53.03 1yjx n ASP 221 Cb 0.52 -0.21 0.56 0.00 -1.14 0.00 0.00 41.12 40.86 1yjx n ASP 221 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1yjx n LYS 222 N -1.58 0.13 -0.62 0.11 -0.00 -1.26 -0.27 118.16 114.67 1yjx n LYS 222 Ca 0.05 0.63 0.09 0.00 -0.00 0.00 0.00 58.31 59.07 1yjx n LYS 222 Cb 0.16 -1.94 0.34 0.00 -0.00 0.00 0.00 35.03 33.59 1yjx n LYS 222 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1yjx n ASN 223 N -2.23 4.74 -1.66 -5.58 3.02 -1.26 -4.90 115.26 107.39 1yjx n ASN 223 Ca -0.01 -2.59 -0.17 0.00 -0.03 0.00 0.00 54.58 51.78 1yjx n ASN 223 Cb 0.03 -0.57 -0.06 0.00 -0.61 0.00 0.00 39.78 38.57 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 0.77 -1.29 -4.69 3.41 4.77 0.62 -4.93 117.00 115.67 1yjx n LEU 224 Ca 0.25 0.35 -0.36 0.00 -0.03 0.00 0.00 56.01 56.22 1yjx n LEU 224 Cb 0.92 -2.43 -0.09 0.00 -2.33 0.00 0.00 43.42 39.49 1yjx n LEU 224 CO 0.24 -0.75 -0.16 -0.54 -1.33 0.00 0.00 177.39 174.85 1yjx s LYS 225 N -3.72 4.12 0.72 3.23 -0.14 -1.26 -4.75 119.74 117.94 1yjx s LYS 225 Ca 0.00 -0.22 -0.16 0.00 -1.36 0.00 0.00 55.97 54.23 1yjx s LYS 225 Cb 0.00 -3.50 -0.06 0.00 -1.68 0.00 0.00 37.83 32.59 1yjx s LYS 225 CO 0.00 0.14 0.32 -2.30 -0.76 0.00 0.00 175.35 172.76 1yjx n PRO 226 N 4.01 0.23 0.00 -1.68 -0.02 -1.26 -1.43 135.00 134.85 1yjx n PRO 226 Ca -0.15 0.11 0.04 0.00 -2.02 0.00 0.00 63.50 61.48 1yjx n PRO 226 Cb 0.52 -1.64 -0.03 0.00 -0.02 0.00 0.00 33.50 32.33 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 -2.28 0.00 -3.86 4.25 -5.35 -0.17 -4.74 119.36 107.21 1yjx n ILE 227 Ca 0.09 -0.34 -0.07 0.00 -0.27 0.00 0.00 62.75 62.15 1yjx n ILE 227 Cb 0.50 1.04 -0.02 0.00 -1.74 0.00 0.00 39.64 39.41 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 -1.61 1.75 0.80 6.28 -2.85 -1.26 -5.12 119.74 117.73 1yjx s LYS 228 Ca 0.05 -1.00 -0.12 0.00 -1.00 0.00 0.00 55.97 53.90 1yjx s LYS 228 Cb 0.07 0.60 0.08 0.00 -2.06 0.00 0.00 37.83 36.51 1yjx s LYS 228 CO 0.30 -0.79 1.15 -1.25 0.10 0.00 0.00 175.35 174.86 1yjx s PRO 229 N -3.92 1.81 0.40 1.78 0.04 -1.26 -4.77 135.00 129.08 1yjx s PRO 229 Ca 0.12 1.51 -0.27 0.00 0.04 0.00 0.00 61.00 62.40 1yjx s PRO 229 Cb -0.05 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.57 1yjx s PRO 229 CO 0.07 -2.03 1.46 0.00 0.04 0.00 0.00 177.00 176.54 1yjx s MET 230 N -4.43 3.96 0.18 4.56 0.23 -1.26 -4.90 119.30 117.64 1yjx s MET 230 Ca 0.68 2.52 0.09 0.00 -1.03 0.00 0.00 55.69 57.94 1yjx s MET 230 Cb -0.23 -2.86 -0.04 0.00 -1.53 0.00 0.00 34.83 30.17 1yjx s MET 230 CO 0.52 -0.63 -0.08 -0.65 -2.03 0.00 0.00 175.02 172.15 1yjx s GLN 231 N -2.22 2.12 -0.01 3.16 -0.21 -0.29 -4.94 119.66 117.27 1yjx s GLN 231 Ca 0.56 -1.23 0.05 0.00 0.02 0.00 0.00 55.36 54.75 1yjx s GLN 231 Cb -0.45 -2.20 -0.03 0.00 1.00 0.00 0.00 33.01 31.33 1yjx s GLN 231 CO 0.61 0.44 -0.15 -0.06 -2.12 0.00 0.00 175.29 174.00 1yjx s PHE 232 N -1.69 2.66 -0.06 0.91 2.99 -1.26 0.10 117.98 121.62 1yjx s PHE 232 Ca 0.25 -0.19 -0.04 0.00 0.00 0.00 0.00 56.93 56.95 1yjx s PHE 232 Cb -0.09 -1.56 -0.04 0.00 0.00 0.00 0.00 43.02 41.33 1yjx s PHE 232 CO 0.16 0.22 0.14 -0.51 -0.00 0.00 0.00 175.22 175.22 1yjx s LEU 233 N -1.06 4.25 0.00 -0.37 1.43 -0.78 -4.96 118.68 117.19 1yjx s LEU 233 Ca 0.13 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 1yjx s LEU 233 Cb -0.11 -2.28 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1yjx s LEU 233 CO 0.03 0.33 0.00 0.61 0.23 0.00 0.00 176.35 177.55 1yjx n GLY 234 N 1.49 -0.57 3.78 -3.19 0.00 -1.26 -4.16 105.19 101.28 1yjx n GLY 234 Ca -0.15 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.29 6.47 0.15 1.61 1.47 -1.26 -4.65 116.67 120.17 1yjx s ASP 235 Ca 0.00 2.09 -0.15 0.00 1.18 0.00 0.00 52.55 55.67 1yjx s ASP 235 Cb 0.00 -2.58 0.11 0.00 -0.34 0.00 0.00 42.92 40.11 1yjx s ASP 235 CO 0.00 -0.69 1.12 -1.84 0.68 0.00 0.00 175.17 174.43 1yjx n GLU 236 N -0.41 -0.21 0.07 2.11 -0.00 -1.26 -0.09 120.64 120.84 1yjx n GLU 236 Ca 0.07 1.10 -0.08 0.00 -0.00 0.00 0.00 57.16 58.25 1yjx n GLU 236 Cb 0.50 -1.63 -0.05 0.00 -0.00 0.00 0.00 31.44 30.26 1yjx n GLU 236 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1yjx h GLU 237 N 0.00 -0.37 -0.91 3.44 -0.00 -1.99 -0.85 114.58 113.90 1yjx h GLU 237 Ca 0.21 0.03 0.07 0.00 -0.00 0.00 0.00 59.36 59.67 1yjx h GLU 237 Cb 0.39 0.08 -0.06 0.00 -0.00 0.00 0.00 28.75 29.16 1yjx h GLU 237 CO -0.70 -0.25 0.57 1.15 -0.00 0.00 0.00 179.01 179.78 1yjx h THR 238 N -0.38 1.05 -0.08 -1.06 2.02 -1.54 -0.62 112.91 112.30 1yjx h THR 238 Ca -0.01 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.77 1yjx h THR 238 Cb 0.37 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1yjx h THR 238 CO -0.12 0.19 -0.18 1.62 0.37 0.00 0.00 175.52 177.40 1yjx h VAL 239 N 1.03 1.17 0.14 3.16 3.04 -0.33 -2.47 116.25 122.00 1yjx h VAL 239 Ca 0.40 -0.79 -0.28 0.00 -1.01 0.00 0.00 66.70 65.02 1yjx h VAL 239 Cb 0.19 1.31 0.01 0.00 -2.01 0.00 0.00 31.29 30.79 1yjx h VAL 239 CO -0.18 0.24 -1.26 0.03 -1.01 0.00 0.00 177.57 175.38 1yjx h ARG 240 N 0.12 0.32 -0.92 4.17 -0.00 -0.26 -2.36 114.38 115.45 1yjx h ARG 240 Ca 0.02 -0.53 0.12 0.00 -0.50 0.00 0.00 59.98 59.09 1yjx h ARG 240 Cb 0.39 0.20 -0.07 0.00 0.00 0.00 0.00 29.97 30.49 1yjx h ARG 240 CO 0.03 1.25 0.59 1.57 0.00 0.00 0.00 179.97 183.41 1yjx h LYS 241 N 0.09 0.81 0.00 0.04 2.10 -0.69 0.86 116.57 119.78 1yjx h LYS 241 Ca -0.15 -0.05 -0.14 0.00 -2.00 0.00 0.00 60.65 58.31 1yjx h LYS 241 Cb 1.98 -0.18 -0.02 0.00 -0.90 0.00 0.00 32.23 33.11 1yjx h LYS 241 CO 0.21 0.54 -0.85 0.00 -2.00 0.00 0.00 179.45 177.35 1yjx h ALA 242 N 1.57 0.62 0.48 0.07 0.00 -1.51 -3.26 119.26 117.23 1yjx h ALA 242 Ca 0.45 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1yjx h ALA 242 Cb 0.57 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1yjx h ALA 242 CO -0.22 0.83 -0.43 0.52 0.00 0.00 0.00 179.25 179.95 1yjx h MET 243 N 0.00 -0.88 0.00 0.00 2.86 -0.28 -1.90 114.93 114.73 1yjx h MET 243 Ca -0.05 0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1yjx h MET 243 Cb 1.52 0.20 -0.00 0.00 0.06 0.00 0.00 31.60 33.38 1yjx h MET 243 CO 0.07 -0.59 -0.05 0.93 1.06 0.00 0.00 176.91 178.33 1yjx h GLU 244 N -0.91 0.00 0.00 1.72 5.08 -1.56 -1.90 114.58 117.01 1yjx h GLU 244 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1yjx h GLU 244 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1yjx h GLU 244 CO -0.03 0.05 0.02 0.00 -1.00 0.00 0.00 179.01 178.04 1yjx n ALA 245 N -2.23 1.20 -1.47 3.43 0.00 -0.71 -5.15 120.51 115.59 1yjx n ALA 245 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1yjx n ALA 245 Cb 0.17 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1yjx n ALA 245 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05