#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j9r s THR 5 N 0.00 2.11 0.23 0.00 -4.23 -1.26 -4.87 115.64 107.62 1j9r s THR 5 Ca 0.00 -0.12 -0.07 0.00 -1.18 0.00 0.00 61.69 60.31 1j9r s THR 5 Cb 0.00 -2.99 0.22 0.00 1.34 0.00 0.00 72.50 71.07 1j9r s THR 5 CO 0.00 0.00 1.90 0.00 -0.54 0.00 0.00 174.62 175.98 1j9r h ALA 6 N -0.91 1.15 -0.40 3.99 0.00 -2.05 -1.88 119.26 119.16 1j9r h ALA 6 Ca -0.45 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1j9r h ALA 6 Cb 1.31 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1j9r h ALA 6 CO 0.61 0.50 0.15 0.00 0.00 0.00 0.00 179.25 180.51 1j9r h ALA 7 N 1.34 0.51 -0.62 0.00 0.00 -1.99 -1.55 119.26 116.97 1j9r h ALA 7 Ca 0.34 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1j9r h ALA 7 Cb -0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1j9r h ALA 7 CO -0.09 0.13 0.27 0.93 0.00 0.00 0.00 179.25 180.49 1j9r h GLU 8 N 0.49 0.89 -0.08 0.00 5.08 -1.82 -2.35 114.58 116.80 1j9r h GLU 8 Ca 0.13 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1j9r h GLU 8 Cb 0.21 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1j9r h GLU 8 CO -0.01 0.72 -0.03 0.82 -1.00 0.00 0.00 179.01 179.51 1j9r h ILE 9 N 0.88 1.31 -0.00 3.13 2.04 -1.14 -2.85 117.51 120.88 1j9r h ILE 9 Ca 0.21 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1j9r h ILE 9 Cb 0.14 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1j9r h ILE 9 CO -0.02 0.28 0.08 0.00 0.00 0.00 0.00 178.15 178.48 1j9r h ALA 10 N 0.65 1.10 0.00 1.87 0.00 -1.03 0.12 119.26 121.96 1j9r h ALA 10 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1j9r h ALA 10 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1j9r h ALA 10 CO 0.01 -0.08 -0.52 0.00 0.00 0.00 0.00 179.25 178.66 1j9r n ALA 11 N -2.04 3.46 -1.77 0.00 0.00 -0.91 -4.92 120.51 114.33 1j9r n ALA 11 Ca -0.03 -0.34 -0.37 0.00 0.00 0.00 0.00 53.44 52.71 1j9r n ALA 11 Cb 0.15 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 1j9r n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1j9r s LEU 12 N -3.15 4.02 0.57 0.00 1.43 0.41 -4.99 118.68 116.98 1j9r s LEU 12 Ca 0.10 2.22 -0.19 0.00 -1.03 0.00 0.00 54.13 55.24 1j9r s LEU 12 Cb 0.17 -4.26 -0.04 0.00 0.03 0.00 0.00 46.19 42.08 1j9r s LEU 12 CO 0.70 -0.83 1.18 -2.16 0.23 0.00 0.00 176.35 175.47 1j9r s PRO 13 N -2.71 3.11 0.15 1.29 0.04 -1.26 -4.72 135.00 130.91 1j9r s PRO 13 Ca 0.63 1.75 0.08 0.00 0.04 0.00 0.00 61.00 63.49 1j9r s PRO 13 Cb -0.26 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1j9r s PRO 13 CO 0.32 -1.07 -0.06 1.03 0.04 0.00 0.00 177.00 177.25 1j9r s ARG 14 N -3.31 2.21 -0.09 4.56 0.52 -1.26 -1.22 118.95 120.36 1j9r s ARG 14 Ca 0.76 -1.13 -0.03 0.00 -0.52 0.00 0.00 55.73 54.80 1j9r s ARG 14 Cb -0.28 -2.28 0.05 0.00 0.52 0.00 0.00 34.95 32.96 1j9r s ARG 14 CO 0.31 0.47 0.13 -1.14 0.02 0.00 0.00 175.30 175.08 1j9r s GLN 15 N -2.68 0.01 -0.10 3.54 0.74 -0.84 -4.93 119.66 115.40 1j9r s GLN 15 Ca 0.25 0.41 -0.25 0.00 0.05 0.00 0.00 55.36 55.82 1j9r s GLN 15 Cb -0.10 -0.58 -0.03 0.00 1.10 0.00 0.00 33.01 33.41 1j9r s GLN 15 CO 0.16 -0.38 0.81 0.15 -0.55 0.00 0.00 175.29 175.48 1j9r s LYS 16 N 2.24 4.39 -0.06 1.67 1.02 -1.26 -0.74 119.74 127.00 1j9r s LYS 16 Ca 0.04 1.03 -0.00 0.00 0.02 0.00 0.00 55.97 57.06 1j9r s LYS 16 Cb -0.13 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 1j9r s LYS 16 CO -0.06 -0.13 -0.03 0.08 -0.92 0.00 0.00 175.35 174.29 1j9r s VAL 17 N 1.45 4.01 -0.28 3.17 1.01 -0.56 -4.94 120.40 124.25 1j9r s VAL 17 Ca 0.40 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 1j9r s VAL 17 Cb -0.18 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1j9r s VAL 17 CO 0.17 0.57 0.13 -1.83 0.00 0.00 0.00 175.10 174.14 1j9r s GLU 18 N -0.96 3.60 0.33 2.72 1.03 -1.26 -4.69 118.70 119.47 1j9r s GLU 18 Ca 0.14 -0.54 -0.26 0.00 0.03 0.00 0.00 54.97 54.34 1j9r s GLU 18 Cb -0.11 -3.51 -0.10 0.00 -0.80 0.00 0.00 34.13 29.61 1j9r s GLU 18 CO 0.03 -0.28 0.97 -0.51 -1.33 0.00 0.00 175.26 174.13 1j9r s LEU 19 N 1.65 4.33 0.14 1.83 1.43 -1.26 -4.72 118.68 122.08 1j9r s LEU 19 Ca 0.06 1.88 0.10 0.00 -1.03 0.00 0.00 54.13 55.14 1j9r s LEU 19 Cb -0.16 -4.01 -0.04 0.00 0.03 0.00 0.00 46.19 42.00 1j9r s LEU 19 CO 0.07 -0.12 -0.19 0.68 0.23 0.00 0.00 176.35 177.01 1j9r s VAL 20 N -1.59 2.71 0.31 -1.59 -7.23 -1.26 -5.00 120.40 106.74 1j9r s VAL 20 Ca 0.51 -1.67 -0.29 0.00 -1.81 0.00 0.00 61.98 58.71 1j9r s VAL 20 Cb -0.20 -2.26 -0.10 0.00 0.56 0.00 0.00 36.38 34.38 1j9r s VAL 20 CO 0.25 0.02 1.31 -1.81 -0.31 0.00 0.00 175.10 174.56 1j9r s ASP 21 N -2.34 6.79 0.83 4.85 -0.00 -1.26 -4.62 116.67 120.92 1j9r s ASP 21 Ca 0.19 2.65 -0.13 0.00 -0.00 0.00 0.00 52.55 55.26 1j9r s ASP 21 Cb -0.10 -2.64 0.10 0.00 -0.00 0.00 0.00 42.92 40.28 1j9r s ASP 21 CO 0.10 -0.53 1.20 -2.65 -0.00 0.00 0.00 175.17 173.29 1j9r n PRO 22 N 1.09 0.06 0.00 8.23 -0.02 -1.26 -2.29 135.00 140.81 1j9r n PRO 22 Ca 0.01 0.10 0.10 0.00 -2.02 0.00 0.00 63.50 61.69 1j9r n PRO 22 Cb 0.42 -2.43 0.58 0.00 -0.02 0.00 0.00 33.50 32.05 1j9r n PRO 22 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1j9r n PRO 23 N -3.48 0.94 -2.12 0.52 -0.04 -1.26 -5.05 135.00 124.51 1j9r n PRO 23 Ca 0.13 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 1j9r n PRO 23 Cb 0.51 -1.33 -0.01 0.00 -0.04 0.00 0.00 33.50 32.63 1j9r n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1j9r s PHE 24 N -2.00 3.51 -0.05 0.54 0.40 -0.97 -0.35 117.98 119.06 1j9r s PHE 24 Ca 0.30 1.39 0.05 0.00 -0.60 0.00 0.00 56.93 58.06 1j9r s PHE 24 Cb 0.14 -2.77 -0.01 0.00 0.51 0.00 0.00 43.02 40.89 1j9r s PHE 24 CO 0.23 -0.56 -0.21 0.08 0.70 0.00 0.00 175.22 175.46 1j9r s VAL 25 N -2.89 1.74 0.75 -0.44 1.01 -1.26 -4.63 120.40 114.69 1j9r s VAL 25 Ca 0.57 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 61.50 1j9r s VAL 25 Cb -0.11 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.79 1j9r s VAL 25 CO 0.42 0.49 0.82 0.00 0.00 0.00 0.00 175.10 176.83 1j9r n HIS 26 N 3.03 0.12 -1.71 5.22 1.44 -1.26 -4.89 115.22 117.17 1j9r n HIS 26 Ca -0.18 0.37 -0.42 0.00 -2.01 0.00 0.00 57.72 55.49 1j9r n HIS 26 Cb 0.52 -2.01 0.00 0.00 0.12 0.00 0.00 29.99 28.63 1j9r n HIS 26 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1j9r n ALA 27 N -2.64 1.47 -3.83 1.59 0.00 -1.26 -4.98 120.51 110.85 1j9r n ALA 27 Ca 0.12 0.32 -0.04 0.00 0.00 0.00 0.00 53.44 53.84 1j9r n ALA 27 Cb 0.50 -2.29 0.01 0.00 0.00 0.00 0.00 19.45 17.67 1j9r n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1j9r s HIS 28 N -1.14 0.02 -0.05 0.00 -3.43 -1.26 -5.01 115.29 104.42 1j9r s HIS 28 Ca 0.57 -0.44 0.06 0.00 -0.80 0.00 0.00 55.06 54.45 1j9r s HIS 28 Cb -0.53 0.71 -0.01 0.00 -1.43 0.00 0.00 32.58 31.32 1j9r s HIS 28 CO 0.61 -1.02 -0.25 -1.54 -2.00 0.00 0.00 174.74 170.54 1j9r s SER 29 N -3.21 3.05 0.13 7.38 1.04 -1.26 -5.02 113.70 115.81 1j9r s SER 29 Ca 0.18 -0.51 -0.16 0.00 0.48 0.00 0.00 55.95 55.94 1j9r s SER 29 Cb -0.03 -0.80 -0.01 0.00 0.10 0.00 0.00 66.02 65.28 1j9r s SER 29 CO 0.06 0.25 1.67 1.56 0.98 0.00 0.00 173.24 177.76 1j9r h GLN 30 N 6.02 0.59 -5.77 4.02 4.20 -1.98 -3.40 115.11 118.79 1j9r h GLN 30 Ca -0.33 -0.11 -0.59 0.00 0.06 0.00 0.00 58.65 57.68 1j9r h GLN 30 Cb 1.17 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.79 1j9r h GLN 30 CO 0.47 0.57 -0.22 0.08 -0.67 0.00 0.00 178.83 179.06 1j9r s VAL 31 N -5.52 5.17 -0.04 -0.54 1.01 -1.26 -3.57 120.40 115.65 1j9r s VAL 31 Ca -0.13 0.79 -0.35 0.00 0.00 0.00 0.00 61.98 62.29 1j9r s VAL 31 Cb 0.10 -3.72 -0.13 0.00 0.00 0.00 0.00 36.38 32.63 1j9r s VAL 31 CO 0.75 0.44 1.77 0.00 0.00 0.00 0.00 175.10 178.06 1j9r n ALA 32 N 2.91 0.80 -2.91 5.51 0.00 0.73 -4.89 120.51 122.66 1j9r n ALA 32 Ca -0.11 0.35 -0.44 0.00 0.00 0.00 0.00 53.44 53.24 1j9r n ALA 32 Cb 0.52 -2.41 -0.00 0.00 0.00 0.00 0.00 19.45 17.55 1j9r n ALA 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1j9r s GLU 33 N 3.06 4.04 0.00 0.00 2.02 -1.26 -4.91 118.70 121.65 1j9r s GLU 33 Ca 0.89 -2.45 0.00 0.00 0.02 0.00 0.00 54.97 53.43 1j9r s GLU 33 Cb -0.74 -5.10 0.00 0.00 0.10 0.00 0.00 34.13 28.39 1j9r s GLU 33 CO 0.49 -1.82 0.00 0.41 0.02 0.00 0.00 175.26 174.37 1j9r n GLY 34 N 4.36 -2.97 3.74 -1.39 0.00 -1.26 -5.04 105.19 102.63 1j9r n GLY 34 Ca 0.37 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 1j9r n GLY 34 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j9r s GLY 35 N 0.00 1.70 0.30 -0.02 0.00 -1.26 -4.97 107.32 103.06 1j9r s GLY 35 Ca 0.00 -1.21 -0.28 0.00 0.00 0.00 0.00 44.72 43.23 1j9r s GLY 35 CO 0.00 -0.30 1.11 -1.05 0.00 0.00 0.00 173.10 172.85 1j9r n PRO 36 N -4.45 1.58 -4.18 2.90 -0.02 -1.26 -5.01 135.00 124.57 1j9r n PRO 36 Ca 0.16 0.55 -0.13 0.00 -2.02 0.00 0.00 63.50 62.07 1j9r n PRO 36 Cb 0.60 -2.00 -0.09 0.00 -0.02 0.00 0.00 33.50 31.99 1j9r n PRO 36 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1j9r s LYS 37 N -1.54 1.39 -0.43 -0.52 -2.85 -1.26 -4.38 119.74 110.14 1j9r s LYS 37 Ca 0.59 -1.65 -0.11 0.00 -1.00 0.00 0.00 55.97 53.80 1j9r s LYS 37 Cb -0.67 0.32 0.07 0.00 -2.06 0.00 0.00 37.83 35.49 1j9r s LYS 37 CO 0.60 -0.50 0.30 0.08 0.10 0.00 0.00 175.35 175.93 1j9r s VAL 38 N -3.95 4.57 -0.19 1.79 1.01 -0.36 -1.07 120.40 122.21 1j9r s VAL 38 Ca 0.36 -1.26 -0.25 0.00 0.00 0.00 0.00 61.98 60.83 1j9r s VAL 38 Cb 0.05 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1j9r s VAL 38 CO 0.15 -0.52 0.82 -0.69 0.00 0.00 0.00 175.10 174.86 1j9r s VAL 39 N 1.50 4.88 -0.15 2.92 1.01 0.73 -1.99 120.40 129.30 1j9r s VAL 39 Ca 0.03 1.59 -0.09 0.00 0.00 0.00 0.00 61.98 63.51 1j9r s VAL 39 Cb -0.23 -4.12 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1j9r s VAL 39 CO 0.04 0.01 0.16 -1.61 0.00 0.00 0.00 175.10 173.70 1j9r s GLU 40 N 2.27 3.82 0.04 2.72 2.02 0.08 -0.73 118.70 128.92 1j9r s GLU 40 Ca 0.37 -0.13 0.02 0.00 0.02 0.00 0.00 54.97 55.25 1j9r s GLU 40 Cb -0.16 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.74 1j9r s GLU 40 CO 0.11 0.54 -0.08 -0.06 0.02 0.00 0.00 175.26 175.79 1j9r s PHE 41 N -0.36 0.71 -0.03 1.61 0.40 -0.33 -1.50 117.98 118.48 1j9r s PHE 41 Ca 0.13 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 56.00 1j9r s PHE 41 Cb -0.12 -0.43 0.01 0.00 0.51 0.00 0.00 43.02 43.00 1j9r s PHE 41 CO 0.02 -0.07 -0.05 0.99 0.70 0.00 0.00 175.22 176.81 1j9r s THR 42 N -1.30 0.53 -0.01 0.64 2.01 -1.26 -0.25 115.64 115.99 1j9r s THR 42 Ca -0.09 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1j9r s THR 42 Cb -0.10 -0.51 0.01 0.00 0.01 0.00 0.00 72.50 71.91 1j9r s THR 42 CO 0.01 0.19 -0.01 -0.04 -0.69 0.00 0.00 174.62 174.08 1j9r s MET 43 N 0.43 0.17 -0.17 4.92 -1.94 -0.42 -4.91 119.30 117.38 1j9r s MET 43 Ca -0.06 -0.01 -0.05 0.00 -1.71 0.00 0.00 55.69 53.87 1j9r s MET 43 Cb -0.09 -0.25 -0.03 0.00 2.01 0.00 0.00 34.83 36.47 1j9r s MET 43 CO 0.00 -0.02 0.01 0.08 -0.01 0.00 0.00 175.02 175.07 1j9r s VAL 44 N 0.34 4.28 -0.17 -6.03 1.01 -1.26 -1.23 120.40 117.34 1j9r s VAL 44 Ca -0.03 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.44 1j9r s VAL 44 Cb -0.05 -2.90 -0.00 0.00 0.00 0.00 0.00 36.38 33.42 1j9r s VAL 44 CO -0.01 0.48 1.02 -0.63 0.00 0.00 0.00 175.10 175.95 1j9r s ILE 45 N 0.39 4.73 -0.26 2.22 1.01 0.06 -1.13 121.20 128.22 1j9r s ILE 45 Ca -0.01 2.02 -0.03 0.00 0.00 0.00 0.00 60.65 62.63 1j9r s ILE 45 Cb -0.13 -4.30 0.02 0.00 0.01 0.00 0.00 42.46 38.06 1j9r s ILE 45 CO 0.02 -0.09 -0.03 -1.61 0.00 0.00 0.00 174.94 173.23 1j9r s GLU 46 N 2.65 2.85 -0.42 2.79 0.41 -0.14 -4.35 118.70 122.50 1j9r s GLU 46 Ca 0.46 -0.98 -0.21 0.00 -0.41 0.00 0.00 54.97 53.83 1j9r s GLU 46 Cb -0.16 -3.08 0.02 0.00 -1.78 0.00 0.00 34.13 29.12 1j9r s GLU 46 CO 0.11 -0.43 0.65 -1.21 -0.49 0.00 0.00 175.26 173.90 1j9r s GLU 47 N 1.36 3.37 0.14 1.61 2.02 -1.26 -1.42 118.70 124.51 1j9r s GLU 47 Ca 0.00 -0.27 -0.06 0.00 0.02 0.00 0.00 54.97 54.66 1j9r s GLU 47 Cb -0.17 -3.92 -0.02 0.00 0.10 0.00 0.00 34.13 30.12 1j9r s GLU 47 CO -0.03 -0.96 0.19 -1.59 0.02 0.00 0.00 175.26 172.89 1j9r s LYS 48 N 2.83 1.02 0.05 1.61 -2.85 -0.64 -4.99 119.74 116.77 1j9r s LYS 48 Ca 0.23 -1.22 -0.21 0.00 -1.00 0.00 0.00 55.97 53.78 1j9r s LYS 48 Cb -0.14 0.33 -0.06 0.00 -2.06 0.00 0.00 37.83 35.90 1j9r s LYS 48 CO 0.18 -0.34 0.61 0.15 0.10 0.00 0.00 175.35 176.06 1j9r s LYS 49 N -3.97 4.31 0.03 1.78 1.02 -1.26 -0.63 119.74 121.01 1j9r s LYS 49 Ca 0.17 0.80 0.04 0.00 0.02 0.00 0.00 55.97 57.00 1j9r s LYS 49 Cb 0.05 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.05 1j9r s LYS 49 CO -0.02 0.49 -0.12 0.96 -0.92 0.00 0.00 175.35 175.75 1j9r s ILE 50 N -0.65 0.94 -0.26 2.17 -4.36 -0.67 -4.93 121.20 113.42 1j9r s ILE 50 Ca 0.31 -0.84 -0.10 0.00 -0.26 0.00 0.00 60.65 59.76 1j9r s ILE 50 Cb -0.19 -0.85 -0.05 0.00 1.25 0.00 0.00 42.46 42.62 1j9r s ILE 50 CO 0.19 0.01 0.16 -0.69 0.24 0.00 0.00 174.94 174.86 1j9r s VAL 51 N -0.74 5.20 -0.99 8.37 1.01 -1.26 -1.18 120.40 130.80 1j9r s VAL 51 Ca 0.01 0.13 0.22 0.00 0.00 0.00 0.00 61.98 62.33 1j9r s VAL 51 Cb -0.07 -3.46 -0.19 0.00 0.00 0.00 0.00 36.38 32.67 1j9r s VAL 51 CO 0.01 0.29 0.99 2.30 0.00 0.00 0.00 175.10 178.69 1j9r n ILE 52 N 4.79 0.00 -4.11 2.22 -5.35 -0.27 -4.81 119.36 111.83 1j9r n ILE 52 Ca -0.15 -0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.21 1j9r n ILE 52 Cb 0.52 0.85 -0.07 0.00 -1.74 0.00 0.00 39.64 39.20 1j9r n ILE 52 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1j9r s ASP 53 N -3.02 0.37 0.00 7.28 3.84 -1.26 -0.32 116.67 123.56 1j9r s ASP 53 Ca 0.08 -1.29 0.14 0.00 -0.00 0.00 0.00 52.55 51.49 1j9r s ASP 53 Cb 0.16 0.53 0.84 0.00 -1.38 0.00 0.00 42.92 43.08 1j9r s ASP 53 CO 0.84 -1.07 1.46 -0.90 -0.00 0.00 0.00 175.17 175.51 1j9r n ASP 54 N -0.68 0.00 -1.03 2.11 5.68 -1.26 -2.37 116.55 119.01 1j9r n ASP 54 Ca 0.01 -1.35 0.12 0.00 -0.50 0.00 0.00 54.79 53.07 1j9r n ASP 54 Cb 0.63 0.00 0.24 0.00 -1.14 0.00 0.00 41.12 40.85 1j9r n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1j9r n ALA 55 N -0.75 2.44 -1.00 2.12 0.00 -1.26 -4.94 120.51 117.13 1j9r n ALA 55 Ca 0.11 -0.88 -0.00 0.00 0.00 0.00 0.00 53.44 52.66 1j9r n ALA 55 Cb 0.05 -0.91 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 1j9r n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j9r n GLY 56 N 1.43 0.48 3.70 0.00 0.00 -1.00 -4.99 105.19 104.80 1j9r n GLY 56 Ca 0.18 -0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1j9r n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j9r n THR 57 N -2.99 0.03 -4.08 2.61 -1.04 -1.26 -4.87 114.28 102.69 1j9r n THR 57 Ca -0.00 -0.01 -0.28 0.00 -2.04 0.00 0.00 64.05 61.72 1j9r n THR 57 Cb 0.01 -1.77 -0.06 0.00 -1.82 0.00 0.00 70.33 66.68 1j9r n THR 57 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1j9r s GLU 58 N 1.00 2.85 -0.02 -2.82 2.02 -1.26 -1.12 118.70 119.34 1j9r s GLU 58 Ca 0.76 -0.80 -0.00 0.00 0.02 0.00 0.00 54.97 54.95 1j9r s GLU 58 Cb -0.59 -2.66 0.03 0.00 0.10 0.00 0.00 34.13 31.01 1j9r s GLU 58 CO 0.35 0.52 0.04 0.08 0.02 0.00 0.00 175.26 176.27 1j9r s VAL 59 N -1.57 -0.06 -0.82 2.63 1.01 -0.33 -4.94 120.40 116.32 1j9r s VAL 59 Ca 0.30 0.23 -0.24 0.00 0.00 0.00 0.00 61.98 62.27 1j9r s VAL 59 Cb -0.11 -0.10 0.05 0.00 0.00 0.00 0.00 36.38 36.22 1j9r s VAL 59 CO 0.22 0.10 1.25 -1.00 0.00 0.00 0.00 175.10 175.67 1j9r s HIS 60 N 1.17 2.50 0.39 5.22 3.76 -1.26 -1.68 115.29 125.39 1j9r s HIS 60 Ca -0.08 -0.48 -0.17 0.00 -0.15 0.00 0.00 55.06 54.18 1j9r s HIS 60 Cb -0.13 -4.56 -0.09 0.00 1.11 0.00 0.00 32.58 28.91 1j9r s HIS 60 CO -0.03 -1.91 0.84 0.00 -0.85 0.00 0.00 174.74 172.79 1j9r s ALA 61 N 4.95 3.20 -0.38 -1.40 0.00 0.19 -4.90 121.76 123.42 1j9r s ALA 61 Ca 0.35 0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.50 1j9r s ALA 61 Cb -0.07 -2.93 0.11 0.00 0.00 0.00 0.00 23.12 20.23 1j9r s ALA 61 CO 0.05 0.17 0.11 -1.64 0.00 0.00 0.00 175.76 174.45 1j9r s MET 62 N -3.25 1.53 -0.16 0.00 -1.94 -0.94 -1.62 119.30 112.92 1j9r s MET 62 Ca 0.57 -2.00 -0.01 0.00 -1.71 0.00 0.00 55.69 52.55 1j9r s MET 62 Cb -0.10 -3.10 -0.01 0.00 2.01 0.00 0.00 34.83 33.63 1j9r s MET 62 CO 0.19 -0.99 -0.12 0.00 -0.01 0.00 0.00 175.02 174.08 1j9r s ALA 63 N 0.65 2.62 0.10 3.03 0.00 -0.51 -2.12 121.76 125.52 1j9r s ALA 63 Ca 0.13 -1.00 -0.31 0.00 0.00 0.00 0.00 51.96 50.77 1j9r s ALA 63 Cb -0.21 -1.32 -0.08 0.00 0.00 0.00 0.00 23.12 21.52 1j9r s ALA 63 CO -0.07 0.01 1.45 -0.06 0.00 0.00 0.00 175.76 177.09 1j9r s PHE 64 N 0.75 3.06 -1.89 0.00 0.08 -1.24 -0.96 117.98 117.77 1j9r s PHE 64 Ca -0.05 0.81 0.00 0.00 0.12 0.00 0.00 56.93 57.80 1j9r s PHE 64 Cb -0.15 -3.75 0.00 0.00 -0.57 0.00 0.00 43.02 38.55 1j9r s PHE 64 CO 0.01 -2.73 0.00 -1.71 -0.10 0.00 0.00 175.22 170.69 1j9r n ASN 65 N 4.37 -5.41 0.00 1.36 5.15 -0.29 -2.48 115.26 117.97 1j9r n ASN 65 Ca 0.13 0.44 0.00 0.00 -0.60 0.00 0.00 54.58 54.55 1j9r n ASN 65 Cb 0.42 -4.47 0.00 0.00 -0.53 0.00 0.00 39.78 35.19 1j9r n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j9r n GLY 66 N -0.44 0.79 3.48 8.20 0.00 -0.95 -4.93 105.19 111.34 1j9r n GLY 66 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1j9r n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j9r s THR 67 N -3.16 1.56 -0.17 2.61 -4.23 -1.03 -4.95 115.64 106.26 1j9r s THR 67 Ca 0.00 -2.05 -0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1j9r s THR 67 Cb 0.00 -2.70 0.05 0.00 1.34 0.00 0.00 72.50 71.20 1j9r s THR 67 CO 0.00 -0.12 0.03 -0.69 -0.54 0.00 0.00 174.62 173.30 1j9r s VAL 68 N -3.05 0.43 1.09 2.29 1.01 -1.26 -3.62 120.40 117.29 1j9r s VAL 68 Ca 0.33 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 1j9r s VAL 68 Cb 0.07 -0.88 0.25 0.00 0.00 0.00 0.00 36.38 35.81 1j9r s VAL 68 CO 0.15 -0.12 1.23 -2.16 0.00 0.00 0.00 175.10 174.19 1j9r s PRO 69 N 1.91 -0.33 0.94 2.72 0.04 -1.26 -1.90 135.00 137.13 1j9r s PRO 69 Ca 0.01 -0.28 -0.12 0.00 0.04 0.00 0.00 61.00 60.65 1j9r s PRO 69 Cb -0.16 -1.72 0.15 0.00 0.04 0.00 0.00 34.50 32.81 1j9r s PRO 69 CO -0.08 -3.08 1.09 0.20 0.04 0.00 0.00 177.00 175.18 1j9r s GLY 70 N -4.44 1.59 0.76 0.56 0.00 -0.28 -4.75 107.32 100.77 1j9r s GLY 70 Ca 0.73 -0.21 -0.12 0.00 0.00 0.00 0.00 44.72 45.12 1j9r s GLY 70 CO 0.54 0.33 1.11 2.56 0.00 0.00 0.00 173.10 177.65 1j9r s PRO 71 N -4.96 2.22 -0.21 2.90 0.04 -1.26 -4.54 135.00 129.18 1j9r s PRO 71 Ca 0.64 1.32 -0.21 0.00 0.04 0.00 0.00 61.00 62.79 1j9r s PRO 71 Cb -0.18 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 1j9r s PRO 71 CO 0.57 -1.69 0.67 -1.17 0.04 0.00 0.00 177.00 175.42 1j9r s LEU 72 N -5.68 4.12 -0.17 -3.56 2.96 -1.26 -4.30 118.68 110.79 1j9r s LEU 72 Ca 0.64 0.86 -0.12 0.00 -0.22 0.00 0.00 54.13 55.29 1j9r s LEU 72 Cb -0.20 -2.95 -0.05 0.00 0.50 0.00 0.00 46.19 43.50 1j9r s LEU 72 CO 0.52 -0.34 0.23 -0.04 -1.32 0.00 0.00 176.35 175.40 1j9r s MET 73 N 2.19 4.17 -0.16 1.98 -1.94 -1.13 -4.56 119.30 119.85 1j9r s MET 73 Ca 0.30 -0.02 0.00 0.00 -1.71 0.00 0.00 55.69 54.26 1j9r s MET 73 Cb -0.16 -3.40 0.00 0.00 2.01 0.00 0.00 34.83 33.28 1j9r s MET 73 CO 0.10 0.31 -0.16 0.08 -0.01 0.00 0.00 175.02 175.33 1j9r s VAL 74 N 0.30 2.54 0.33 -6.03 1.01 -1.26 0.28 120.40 117.56 1j9r s VAL 74 Ca 0.14 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1j9r s VAL 74 Cb -0.12 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1j9r s VAL 74 CO 0.02 0.52 0.24 1.33 0.00 0.00 0.00 175.10 177.21 1j9r n VAL 75 N 4.18 0.00 -4.36 2.92 0.24 -0.58 -4.98 118.33 115.75 1j9r n VAL 75 Ca -0.19 -2.29 -0.24 0.00 -2.04 0.00 0.00 64.34 59.58 1j9r n VAL 75 Cb 0.51 1.09 -0.09 0.00 -1.47 0.00 0.00 33.84 33.89 1j9r n VAL 75 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1j9r s HIS 76 N -3.23 2.53 0.11 6.34 3.76 -1.26 -1.67 115.29 121.87 1j9r s HIS 76 Ca 0.35 -0.26 -0.35 0.00 -0.15 0.00 0.00 55.06 54.64 1j9r s HIS 76 Cb 0.02 -1.13 -0.15 0.00 1.11 0.00 0.00 32.58 32.43 1j9r s HIS 76 CO 0.24 0.64 1.47 0.94 -0.85 0.00 0.00 174.74 177.19 1j9r n GLN 77 N -0.68 1.64 -0.98 1.40 7.27 0.26 -1.54 117.38 124.75 1j9r n GLN 77 Ca -0.06 0.59 0.00 0.00 0.07 0.00 0.00 57.00 57.60 1j9r n GLN 77 Cb 0.59 -2.30 0.00 0.00 2.41 0.00 0.00 30.24 30.94 1j9r n GLN 77 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1j9r n ASP 78 N 3.09 -2.16 -4.67 1.69 10.43 0.15 -4.77 116.55 120.31 1j9r n ASP 78 Ca 0.18 0.00 -0.27 0.00 2.57 0.00 0.00 54.79 57.26 1j9r n ASP 78 Cb 0.24 -0.62 0.11 0.00 1.84 0.00 0.00 41.12 42.68 1j9r n ASP 78 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1j9r s ASP 79 N -2.31 4.22 -0.12 -2.24 -0.00 -0.59 -4.73 116.67 110.89 1j9r s ASP 79 Ca 0.00 0.40 0.01 0.00 -0.00 0.00 0.00 52.55 52.96 1j9r s ASP 79 Cb 0.00 -0.81 -0.01 0.00 -0.00 0.00 0.00 42.92 42.10 1j9r s ASP 79 CO 0.00 -2.02 -0.15 -0.31 -0.00 0.00 0.00 175.17 172.69 1j9r s TYR 80 N -3.50 2.75 -0.32 4.23 1.51 -0.23 -1.90 117.35 119.89 1j9r s TYR 80 Ca 0.65 -0.67 -0.13 0.00 -1.01 0.00 0.00 57.07 55.91 1j9r s TYR 80 Cb -0.08 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 1j9r s TYR 80 CO 0.48 -0.21 0.27 -1.17 -1.11 0.00 0.00 175.55 173.81 1j9r s LEU 81 N 0.23 4.31 -0.38 -1.29 0.20 -0.39 -0.19 118.68 121.16 1j9r s LEU 81 Ca -0.10 -0.18 -0.05 0.00 0.69 0.00 0.00 54.13 54.49 1j9r s LEU 81 Cb -0.16 -2.21 0.08 0.00 -0.43 0.00 0.00 46.19 43.47 1j9r s LEU 81 CO 0.06 -0.20 0.16 -0.70 -0.29 0.00 0.00 176.35 175.38 1j9r s GLU 82 N 1.84 2.37 -0.20 1.98 2.12 0.09 -1.85 118.70 125.05 1j9r s GLU 82 Ca 0.09 -1.50 -0.08 0.00 0.36 0.00 0.00 54.97 53.84 1j9r s GLU 82 Cb -0.17 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.64 1j9r s GLU 82 CO 0.11 -0.88 0.08 -1.17 -0.54 0.00 0.00 175.26 172.86 1j9r s LEU 83 N 1.29 3.84 -0.39 2.70 1.98 0.59 -1.19 118.68 127.50 1j9r s LEU 83 Ca 0.02 0.07 -0.13 0.00 -2.89 0.00 0.00 54.13 51.20 1j9r s LEU 83 Cb -0.22 -1.99 0.02 0.00 0.66 0.00 0.00 46.19 44.67 1j9r s LEU 83 CO -0.01 0.14 0.25 -0.89 -1.89 0.00 0.00 176.35 173.96 1j9r s THR 84 N 0.57 4.92 -0.19 3.68 2.01 0.65 -1.17 115.64 126.12 1j9r s THR 84 Ca 0.04 -0.75 -0.07 0.00 0.31 0.00 0.00 61.69 61.22 1j9r s THR 84 Cb -0.13 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1j9r s THR 84 CO 0.01 -0.27 0.05 -0.22 -0.69 0.00 0.00 174.62 173.51 1j9r s LEU 85 N 1.62 3.72 -0.09 4.42 2.96 -0.28 -1.30 118.68 129.72 1j9r s LEU 85 Ca 0.04 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.01 1j9r s LEU 85 Cb -0.19 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.56 1j9r s LEU 85 CO 0.08 0.15 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.41 1j9r s ILE 86 N 0.51 1.90 -0.45 6.68 1.01 -0.36 -1.46 121.20 129.02 1j9r s ILE 86 Ca 0.02 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.71 1j9r s ILE 86 Cb -0.13 -1.65 0.12 0.00 0.01 0.00 0.00 42.46 40.81 1j9r s ILE 86 CO 0.01 0.52 0.26 0.21 0.00 0.00 0.00 174.94 175.94 1j9r s ASN 87 N 0.38 5.28 0.61 3.58 2.47 -0.26 -0.76 114.94 126.23 1j9r s ASN 87 Ca -0.18 -2.18 -0.18 0.00 0.42 0.00 0.00 52.86 50.75 1j9r s ASN 87 Cb -0.17 -1.84 -0.09 0.00 -1.45 0.00 0.00 41.25 37.69 1j9r s ASN 87 CO 0.08 -0.52 0.39 -2.65 -3.72 0.00 0.00 177.10 170.67 1j9r n PRO 88 N 4.40 0.37 0.23 0.43 -0.02 -1.26 0.83 135.00 139.98 1j9r n PRO 88 Ca -0.01 0.15 0.15 0.00 -2.02 0.00 0.00 63.50 61.78 1j9r n PRO 88 Cb 0.41 -1.60 0.61 0.00 -0.02 0.00 0.00 33.50 32.89 1j9r n PRO 88 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1j9r h GLU 89 N 0.03 0.00 0.00 -0.52 4.11 -1.92 -1.98 114.58 114.31 1j9r h GLU 89 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1j9r h GLU 89 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1j9r h GLU 89 CO 0.44 0.00 0.00 1.79 0.07 0.00 0.00 179.01 181.31 1j9r h THR 90 N 0.00 0.00 -4.46 -1.06 1.35 -1.95 -3.45 112.91 103.34 1j9r h THR 90 Ca 0.00 -0.55 -0.48 0.00 -0.55 0.00 0.00 66.41 64.82 1j9r h THR 90 Cb 0.48 1.49 0.08 0.00 -1.73 0.00 0.00 68.15 68.47 1j9r h THR 90 CO 0.00 0.00 0.40 0.20 -0.25 0.00 0.00 175.52 175.87 1j9r s ASN 91 N -5.33 5.17 0.00 5.36 0.01 -0.75 -5.01 114.94 114.39 1j9r s ASN 91 Ca 0.04 1.00 0.00 0.00 -0.71 0.00 0.00 52.86 53.19 1j9r s ASN 91 Cb 0.09 -1.71 0.00 0.00 0.41 0.00 0.00 41.25 40.03 1j9r s ASN 91 CO 0.54 -1.49 0.00 0.35 -1.51 0.00 0.00 177.10 174.99 1j9r n THR 92 N -3.07 0.00 -4.18 1.60 -2.24 -1.26 -4.76 114.28 100.36 1j9r n THR 92 Ca 0.07 -0.38 -0.22 0.00 -2.27 0.00 0.00 64.05 61.24 1j9r n THR 92 Cb 0.58 0.91 -0.06 0.00 -2.10 0.00 0.00 70.33 69.67 1j9r n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1j9r s LEU 93 N -1.98 3.49 0.24 3.22 1.43 -1.26 -4.89 118.68 118.92 1j9r s LEU 93 Ca 0.00 -0.48 -0.24 0.00 -1.03 0.00 0.00 54.13 52.39 1j9r s LEU 93 Cb 0.00 -2.01 -0.09 0.00 0.03 0.00 0.00 46.19 44.12 1j9r s LEU 93 CO 0.00 -0.05 0.81 -0.32 0.23 0.00 0.00 176.35 177.02 1j9r s MET 94 N -3.77 4.47 0.12 1.70 -2.45 -1.26 -4.16 119.30 113.95 1j9r s MET 94 Ca 0.33 1.12 -0.02 0.00 -1.25 0.00 0.00 55.69 55.87 1j9r s MET 94 Cb -0.07 -2.99 -0.04 0.00 1.25 0.00 0.00 34.83 32.99 1j9r s MET 94 CO 0.23 0.42 0.07 -1.01 1.05 0.00 0.00 175.02 175.77 1j9r s HIS 95 N -1.43 0.76 0.19 4.11 0.09 -0.80 -4.94 115.29 113.27 1j9r s HIS 95 Ca 0.43 -1.15 -0.09 0.00 -0.00 0.00 0.00 55.06 54.25 1j9r s HIS 95 Cb -0.20 -0.42 0.03 0.00 -0.00 0.00 0.00 32.58 32.00 1j9r s HIS 95 CO 0.24 -0.52 0.46 0.27 -0.00 0.00 0.00 174.74 175.19 1j9r n ASN 96 N -0.08 -1.18 -3.85 1.40 6.94 -1.26 -0.38 115.26 116.86 1j9r n ASN 96 Ca -0.07 -1.77 -0.12 0.00 -0.02 0.00 0.00 54.58 52.60 1j9r n ASN 96 Cb 0.63 1.95 -0.13 0.00 -2.36 0.00 0.00 39.78 39.87 1j9r n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1j9r s ILE 97 N -2.46 0.00 -0.18 1.53 2.07 -1.26 -4.18 121.20 116.72 1j9r s ILE 97 Ca 0.10 -0.03 0.00 0.00 -1.41 0.00 0.00 60.65 59.31 1j9r s ILE 97 Cb -0.02 -0.11 0.04 0.00 0.13 0.00 0.00 42.46 42.49 1j9r s ILE 97 CO 0.06 -0.01 -0.10 0.21 -1.91 0.00 0.00 174.94 173.18 1j9r s ASN 98 N -0.01 3.14 -0.35 4.50 3.84 -0.02 -1.63 114.94 124.41 1j9r s ASN 98 Ca -0.00 -0.77 -0.14 0.00 0.21 0.00 0.00 52.86 52.16 1j9r s ASN 98 Cb -0.01 -1.15 -0.01 0.00 -0.55 0.00 0.00 41.25 39.53 1j9r s ASN 98 CO 0.00 -0.14 0.31 -0.36 -2.79 0.00 0.00 177.10 174.12 1j9r s PHE 99 N 1.46 3.22 0.54 0.43 0.40 0.11 -1.58 117.98 122.55 1j9r s PHE 99 Ca 0.00 -0.14 0.42 0.00 -0.60 0.00 0.00 56.93 56.62 1j9r s PHE 99 Cb -0.15 -2.59 2.19 0.00 0.51 0.00 0.00 43.02 42.98 1j9r s PHE 99 CO -0.09 -0.41 2.29 0.45 0.70 0.00 0.00 175.22 178.16 1j9r h HIS 100 N 8.49 0.00 0.00 0.36 3.86 -1.43 -0.85 115.15 125.58 1j9r h HIS 100 Ca -0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 1j9r h HIS 100 Cb 1.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.62 1j9r h HIS 100 CO 0.67 0.00 -0.01 0.00 0.86 0.00 0.00 177.93 179.46 1j9r n ALA 101 N -2.08 2.30 -2.65 2.45 0.00 -1.26 -4.88 120.51 114.39 1j9r n ALA 101 Ca -0.02 -0.05 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 1j9r n ALA 101 Cb 0.13 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.10 1j9r n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j9r s ALA 102 N -3.07 3.69 -0.22 0.00 0.00 -0.32 -4.64 121.76 117.19 1j9r s ALA 102 Ca 0.12 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.19 1j9r s ALA 102 Cb 0.14 -2.13 0.03 0.00 0.00 0.00 0.00 23.12 21.16 1j9r s ALA 102 CO 0.58 -0.01 -0.12 0.99 0.00 0.00 0.00 175.76 177.19 1j9r s THR 103 N -2.31 2.47 0.00 0.00 2.01 -1.26 -4.65 115.64 111.90 1j9r s THR 103 Ca 0.40 -1.04 0.00 0.00 0.31 0.00 0.00 61.69 61.37 1j9r s THR 103 Cb -0.10 -2.19 0.00 0.00 0.01 0.00 0.00 72.50 70.22 1j9r s THR 103 CO 0.36 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 175.22 1j9r n GLY 104 N 4.62 3.10 4.16 4.40 0.00 -1.26 -4.93 105.19 115.28 1j9r n GLY 104 Ca -0.18 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 1j9r n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9r n ALA 105 N -0.34 -2.24 -3.64 4.61 0.00 -1.26 -0.63 120.51 117.01 1j9r n ALA 105 Ca 0.00 -0.45 -0.27 0.00 0.00 0.00 0.00 53.44 52.72 1j9r n ALA 105 Cb 0.00 -1.64 0.03 0.00 0.00 0.00 0.00 19.45 17.83 1j9r n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j9r n LEU 106 N -4.71 -2.46 -0.10 0.00 4.77 -1.26 -0.80 117.00 112.44 1j9r n LEU 106 Ca -0.24 -0.60 -0.01 0.00 -0.03 0.00 0.00 56.01 55.12 1j9r n LEU 106 Cb 0.65 -2.59 -0.01 0.00 -2.33 0.00 0.00 43.42 39.14 1j9r n LEU 106 CO 0.79 0.39 -0.01 0.61 -1.33 0.00 0.00 177.39 177.85 1j9r n GLY 107 N -1.60 0.49 0.00 -0.72 0.00 0.19 -3.05 105.19 100.49 1j9r n GLY 107 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1j9r n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9r n GLY 108 N -2.21 1.13 0.25 -0.02 0.00 0.02 0.05 105.19 104.42 1j9r n GLY 108 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 1j9r n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1j9r h GLY 109 N 0.00 0.33 1.60 -0.02 0.00 -0.85 -2.17 103.07 101.96 1j9r h GLY 109 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1j9r h GLY 109 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 176.54 177.33 1j9r n GLY 110 N -0.98 -1.13 0.02 4.60 0.00 -0.95 -3.29 105.19 103.47 1j9r n GLY 110 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1j9r n GLY 110 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j9r n LEU 111 N -1.30 0.90 -0.17 0.99 4.77 -0.86 -4.75 117.00 116.57 1j9r n LEU 111 Ca 0.11 -0.92 0.09 0.00 -0.03 0.00 0.00 56.01 55.26 1j9r n LEU 111 Cb 0.20 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.43 1j9r n LEU 111 CO 0.19 0.22 0.52 0.35 -1.33 0.00 0.00 177.39 177.34 1j9r n THR 112 N -0.12 1.71 -2.04 -5.08 -2.24 -0.94 -4.94 114.28 100.63 1j9r n THR 112 Ca 0.00 -2.12 -0.43 0.00 -2.27 0.00 0.00 64.05 59.24 1j9r n THR 112 Cb 0.02 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 1j9r n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1j9r s GLU 113 N -2.59 3.53 -0.07 -0.78 2.02 -1.25 -4.22 118.70 115.34 1j9r s GLU 113 Ca 0.29 1.53 0.03 0.00 0.02 0.00 0.00 54.97 56.85 1j9r s GLU 113 Cb 0.26 -4.13 0.01 0.00 0.10 0.00 0.00 34.13 30.37 1j9r s GLU 113 CO 0.02 -1.62 -0.16 0.96 0.02 0.00 0.00 175.26 174.47 1j9r s ILE 114 N 6.17 1.45 0.65 -1.63 -4.36 0.49 -4.98 121.20 119.00 1j9r s ILE 114 Ca 0.77 -0.67 -0.08 0.00 -0.26 0.00 0.00 60.65 60.41 1j9r s ILE 114 Cb -0.24 -1.28 0.02 0.00 1.25 0.00 0.00 42.46 42.21 1j9r s ILE 114 CO 0.32 0.42 0.99 0.20 0.24 0.00 0.00 174.94 177.11 1j9r s ASN 115 N 0.48 5.34 0.18 4.36 0.02 -1.26 -1.90 114.94 122.15 1j9r s ASN 115 Ca -0.14 0.77 -0.33 0.00 -1.02 0.00 0.00 52.86 52.13 1j9r s ASN 115 Cb -0.16 -1.61 -0.13 0.00 0.02 0.00 0.00 41.25 39.37 1j9r s ASN 115 CO 0.05 -1.29 1.62 -2.65 0.02 0.00 0.00 177.10 174.85 1j9r n PRO 116 N -2.79 2.36 -0.17 -0.60 -0.02 -1.26 -1.31 135.00 131.20 1j9r n PRO 116 Ca 0.06 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1j9r n PRO 116 Cb 0.58 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1j9r n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j9r n GLY 117 N 3.52 0.91 3.43 -1.23 0.00 0.24 -4.73 105.19 107.34 1j9r n GLY 117 Ca 0.16 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 1j9r n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j9r s GLU 118 N -0.79 1.57 0.20 1.61 2.02 -0.43 -4.93 118.70 117.95 1j9r s GLU 118 Ca 0.00 -1.81 -0.07 0.00 0.02 0.00 0.00 54.97 53.12 1j9r s GLU 118 Cb 0.00 -1.11 -0.02 0.00 0.10 0.00 0.00 34.13 33.09 1j9r s GLU 118 CO 0.00 0.00 0.27 -1.59 0.02 0.00 0.00 175.26 173.96 1j9r s LYS 119 N -3.75 1.27 0.10 1.61 -2.85 -1.26 -1.11 119.74 113.75 1j9r s LYS 119 Ca 0.30 -1.38 -0.22 0.00 -1.00 0.00 0.00 55.97 53.68 1j9r s LYS 119 Cb 0.05 0.36 0.06 0.00 -2.06 0.00 0.00 37.83 36.23 1j9r s LYS 119 CO 0.12 -0.46 0.53 -0.08 0.10 0.00 0.00 175.35 175.56 1j9r s THR 120 N -4.06 0.03 -0.15 3.79 -1.32 -0.53 -5.00 115.64 108.39 1j9r s THR 120 Ca 0.27 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 60.54 1j9r s THR 120 Cb 0.04 -1.03 0.03 0.00 -1.51 0.00 0.00 72.50 70.03 1j9r s THR 120 CO 0.07 -0.11 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.64 1j9r s ILE 121 N -3.19 1.32 -0.05 5.08 1.01 -1.26 -1.12 121.20 122.98 1j9r s ILE 121 Ca -0.01 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1j9r s ILE 121 Cb -0.00 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 1j9r s ILE 121 CO -0.08 0.29 -0.14 -0.22 0.00 0.00 0.00 174.94 174.79 1j9r s LEU 122 N 1.57 2.74 -0.07 2.97 2.96 -0.32 -4.96 118.68 123.57 1j9r s LEU 122 Ca 0.03 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1j9r s LEU 122 Cb -0.14 -1.56 0.02 0.00 0.50 0.00 0.00 46.19 45.01 1j9r s LEU 122 CO -0.09 0.34 -0.07 -0.60 -1.32 0.00 0.00 176.35 174.62 1j9r s ARG 123 N -0.71 1.19 0.10 1.98 3.52 -1.26 -0.30 118.95 123.47 1j9r s ARG 123 Ca 0.11 -0.19 0.03 0.00 -0.13 0.00 0.00 55.73 55.55 1j9r s ARG 123 Cb -0.11 -1.18 -0.04 0.00 -1.56 0.00 0.00 34.95 32.07 1j9r s ARG 123 CO 0.01 -0.12 -0.09 -0.59 -0.81 0.00 0.00 175.30 173.69 1j9r s PHE 124 N 1.17 1.00 -0.25 5.12 -0.12 -0.77 -4.96 117.98 119.16 1j9r s PHE 124 Ca -0.06 -0.71 -0.18 0.00 -0.05 0.00 0.00 56.93 55.92 1j9r s PHE 124 Cb -0.14 -0.55 -0.03 0.00 -0.63 0.00 0.00 43.02 41.67 1j9r s PHE 124 CO -0.01 -0.04 0.53 0.21 -0.05 0.00 0.00 175.22 175.86 1j9r s LYS 125 N -3.02 4.09 -1.33 1.99 2.20 -1.26 -1.27 119.74 121.15 1j9r s LYS 125 Ca 0.07 0.37 -0.16 0.00 -0.36 0.00 0.00 55.97 55.89 1j9r s LYS 125 Cb -0.01 -3.64 0.01 0.00 -1.51 0.00 0.00 37.83 32.68 1j9r s LYS 125 CO -0.01 -0.33 2.10 0.00 -0.36 0.00 0.00 175.35 176.74 1j9r n ALA 126 N 5.46 4.78 0.37 3.13 0.00 -0.80 -4.75 120.51 128.70 1j9r n ALA 126 Ca -0.04 -3.77 0.14 0.00 0.00 0.00 0.00 53.44 49.78 1j9r n ALA 126 Cb 0.50 -3.56 0.50 0.00 0.00 0.00 0.00 19.45 16.88 1j9r n ALA 126 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1j9r h THR 127 N 4.40 0.00 -3.25 0.00 1.35 -1.86 0.44 112.91 113.99 1j9r h THR 127 Ca 0.52 -0.49 -0.67 0.00 -0.55 0.00 0.00 66.41 65.22 1j9r h THR 127 Cb 0.69 1.39 -0.32 0.00 -1.73 0.00 0.00 68.15 68.18 1j9r h THR 127 CO 1.81 0.00 -0.84 -0.54 -0.25 0.00 0.00 175.52 175.69 1j9r s LYS 128 N -3.39 3.11 0.18 4.72 1.02 -1.26 -4.74 119.74 119.38 1j9r s LYS 128 Ca 0.05 -0.81 -0.30 0.00 0.02 0.00 0.00 55.97 54.92 1j9r s LYS 128 Cb 0.09 -2.49 -0.07 0.00 -0.52 0.00 0.00 37.83 34.84 1j9r s LYS 128 CO 0.52 0.03 0.96 -1.25 -0.92 0.00 0.00 175.35 174.69 1j9r s PRO 129 N 0.73 4.77 0.00 -1.68 0.04 -1.26 -4.79 135.00 132.80 1j9r s PRO 129 Ca -0.08 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1j9r s PRO 129 Cb -0.16 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1j9r s PRO 129 CO 0.01 0.35 0.00 0.41 0.04 0.00 0.00 177.00 177.81 1j9r n GLY 130 N 1.87 -0.01 3.81 0.56 0.00 0.55 -2.25 105.19 109.71 1j9r n GLY 130 Ca 0.00 -1.75 -0.37 0.00 0.00 0.00 0.00 46.02 43.90 1j9r n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j9r s VAL 131 N -1.59 5.34 0.05 1.61 -7.23 0.86 0.03 120.40 119.48 1j9r s VAL 131 Ca 0.00 0.42 0.03 0.00 -1.81 0.00 0.00 61.98 60.63 1j9r s VAL 131 Cb 0.00 -3.53 -0.02 0.00 0.56 0.00 0.00 36.38 33.38 1j9r s VAL 131 CO 0.00 0.52 -0.10 -0.36 -0.31 0.00 0.00 175.10 174.85 1j9r s PHE 132 N -0.43 0.90 0.36 2.82 0.08 -0.52 -4.47 117.98 116.73 1j9r s PHE 132 Ca 0.16 -0.45 -0.19 0.00 0.12 0.00 0.00 56.93 56.57 1j9r s PHE 132 Cb -0.13 -0.53 -0.10 0.00 -0.57 0.00 0.00 43.02 41.70 1j9r s PHE 132 CO 0.05 -0.02 0.84 0.08 -0.10 0.00 0.00 175.22 176.07 1j9r s VAL 133 N -1.23 4.52 0.01 -0.44 1.01 -1.26 -1.00 120.40 122.00 1j9r s VAL 133 Ca -0.06 1.26 0.02 0.00 0.00 0.00 0.00 61.98 63.20 1j9r s VAL 133 Cb -0.09 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 1j9r s VAL 133 CO 0.01 -0.20 -0.05 -0.72 0.00 0.00 0.00 175.10 174.13 1j9r s TYR 134 N -2.02 0.49 0.13 5.22 -0.85 -0.74 -1.15 117.35 118.42 1j9r s TYR 134 Ca 0.57 -0.17 -0.24 0.00 -0.52 0.00 0.00 57.07 56.70 1j9r s TYR 134 Cb -0.11 -0.31 0.07 0.00 0.38 0.00 0.00 41.96 42.00 1j9r s TYR 134 CO 0.16 -0.03 0.71 -3.38 -1.52 0.00 0.00 175.55 171.50 1j9r s HIS 135 N -0.39 -0.43 0.50 -3.49 -3.43 -0.62 0.27 115.29 107.70 1j9r s HIS 135 Ca -0.01 0.21 -0.19 0.00 -0.80 0.00 0.00 55.06 54.27 1j9r s HIS 135 Cb -0.04 0.57 -0.08 0.00 -1.43 0.00 0.00 32.58 31.61 1j9r s HIS 135 CO -0.00 -0.81 1.00 0.00 -2.00 0.00 0.00 174.74 172.93 1j9r s ALA 137 N -2.28 -1.00 -0.64 0.00 0.00 -1.26 -4.56 121.76 112.02 1j9r s ALA 137 Ca 0.63 -1.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.27 1j9r s ALA 137 Cb -0.13 -2.36 0.03 0.00 0.00 0.00 0.00 23.12 20.67 1j9r s ALA 137 CO 0.24 -2.15 1.20 -2.14 0.00 0.00 0.00 175.76 172.90 1j9r s PRO 138 N 0.64 3.38 -0.45 0.00 0.02 -1.26 -4.93 135.00 132.40 1j9r s PRO 138 Ca 0.30 0.01 -0.42 0.00 0.02 0.00 0.00 61.00 60.92 1j9r s PRO 138 Cb 0.01 -4.08 -0.18 0.00 0.02 0.00 0.00 34.50 30.27 1j9r s PRO 138 CO -0.10 -1.84 1.56 -2.30 -0.33 0.00 0.00 177.00 173.99 1j9r n PRO 139 N 8.70 0.00 0.00 5.54 -0.02 -1.26 -0.68 135.00 147.28 1j9r n PRO 139 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1j9r n PRO 139 Cb 0.49 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 1j9r n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j9r n GLY 140 N 4.34 2.28 2.10 -1.23 0.00 -1.26 -4.88 105.19 106.55 1j9r n GLY 140 Ca 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.35 1j9r n GLY 140 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j9r n MET 141 N -0.51 0.86 0.00 1.61 2.81 0.15 -5.03 117.12 117.00 1j9r n MET 141 Ca 0.00 -2.20 0.00 0.00 -1.81 0.00 0.00 57.70 53.69 1j9r n MET 141 Cb 0.00 -0.38 0.00 0.00 -0.71 0.00 0.00 33.22 32.13 1j9r n MET 141 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1j9r n VAL 142 N -0.36 0.00 -0.40 2.03 0.31 -1.18 -2.51 118.33 116.22 1j9r n VAL 142 Ca -0.04 1.43 0.32 0.00 -0.01 0.00 0.00 64.34 66.04 1j9r n VAL 142 Cb 0.90 -2.21 0.61 0.00 -0.91 0.00 0.00 33.84 32.24 1j9r n VAL 142 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1j9r h PRO 143 N 0.00 0.19 0.56 5.55 0.13 -1.93 -2.32 132.00 134.17 1j9r h PRO 143 Ca 0.00 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 1j9r h PRO 143 Cb 0.00 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.08 1j9r h PRO 143 CO 0.00 0.12 -0.41 2.35 -0.23 0.00 0.00 178.00 179.83 1j9r h TRP 144 N 0.19 -1.11 -0.38 1.56 7.01 -1.90 -0.93 115.95 120.39 1j9r h TRP 144 Ca 0.71 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.71 1j9r h TRP 144 Cb 2.18 0.41 -0.02 0.00 -2.10 0.00 0.00 29.16 29.63 1j9r h TRP 144 CO -0.00 -0.60 0.25 0.45 -2.79 0.00 0.00 178.44 175.75 1j9r h HIS 145 N -0.95 0.49 -0.73 2.65 3.86 -1.39 -2.66 115.15 116.42 1j9r h HIS 145 Ca -0.06 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.24 1j9r h HIS 145 Cb 0.79 -0.16 -0.07 0.00 1.06 0.00 0.00 27.41 29.03 1j9r h HIS 145 CO -0.15 0.32 0.39 0.28 0.86 0.00 0.00 177.93 179.62 1j9r h VAL 146 N 0.52 0.89 -0.17 2.45 2.07 -1.45 0.17 116.25 120.73 1j9r h VAL 146 Ca 0.14 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1j9r h VAL 146 Cb -0.05 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1j9r h VAL 146 CO -0.03 0.12 0.00 1.33 0.02 0.00 0.00 177.57 179.01 1j9r n VAL 147 N -4.81 0.43 -0.19 2.57 0.24 -0.36 -2.51 118.33 113.69 1j9r n VAL 147 Ca 0.11 -0.29 0.05 0.00 -2.04 0.00 0.00 64.34 62.17 1j9r n VAL 147 Cb 0.25 -0.11 0.14 0.00 -1.47 0.00 0.00 33.84 32.65 1j9r n VAL 147 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1j9r n SER 148 N 0.09 2.87 0.00 -1.34 7.64 0.02 -4.62 113.62 118.27 1j9r n SER 148 Ca 0.06 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.91 1j9r n SER 148 Cb 0.29 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 1j9r n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j9r n GLY 149 N 0.37 0.80 2.93 0.23 0.00 -1.05 -2.20 105.19 106.27 1j9r n GLY 149 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1j9r n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1j9r n MET 150 N -2.16 3.53 -3.46 1.61 0.00 -0.90 -4.59 117.12 111.15 1j9r n MET 150 Ca 0.00 -3.48 -0.11 0.00 0.00 0.00 0.00 57.70 54.10 1j9r n MET 150 Cb 0.00 -2.97 -0.03 0.00 0.00 0.00 0.00 33.22 30.22 1j9r n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1j9r s ASN 151 N 1.30 -0.51 0.00 6.12 2.20 -1.26 -2.15 114.94 120.64 1j9r s ASN 151 Ca 0.41 0.09 0.00 0.00 -0.94 0.00 0.00 52.86 52.41 1j9r s ASN 151 Cb 0.09 0.52 0.00 0.00 -2.00 0.00 0.00 41.25 39.85 1j9r s ASN 151 CO -0.00 -0.81 0.00 0.61 -2.94 0.00 0.00 177.10 173.96 1j9r n GLY 152 N -0.17 3.37 3.78 0.45 0.00 0.14 -1.13 105.19 111.64 1j9r n GLY 152 Ca -0.14 -0.38 -0.07 0.00 0.00 0.00 0.00 46.02 45.43 1j9r n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9r s ALA 153 N -1.00 -1.38 0.11 4.61 0.00 -1.26 -1.79 121.76 121.06 1j9r s ALA 153 Ca 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 1j9r s ALA 153 Cb 0.00 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.87 1j9r s ALA 153 CO 0.00 -1.00 0.01 0.96 0.00 0.00 0.00 175.76 175.73 1j9r s ILE 154 N -3.73 0.33 -0.08 0.00 -4.36 -0.17 -2.84 121.20 110.35 1j9r s ILE 154 Ca 0.10 -1.90 0.03 0.00 -0.26 0.00 0.00 60.65 58.62 1j9r s ILE 154 Cb -0.04 -1.88 0.01 0.00 1.25 0.00 0.00 42.46 41.80 1j9r s ILE 154 CO 0.03 -0.66 -0.16 -0.32 0.24 0.00 0.00 174.94 174.07 1j9r s MET 155 N -3.96 2.16 -0.54 0.37 -2.45 0.14 -1.43 119.30 113.59 1j9r s MET 155 Ca 0.18 -0.57 -0.01 0.00 -1.25 0.00 0.00 55.69 54.04 1j9r s MET 155 Cb 0.07 -1.71 0.14 0.00 1.25 0.00 0.00 34.83 34.58 1j9r s MET 155 CO -0.02 0.08 0.33 0.08 1.05 0.00 0.00 175.02 176.54 1j9r s VAL 156 N 0.56 3.32 0.57 10.11 1.01 0.11 -1.53 120.40 134.55 1j9r s VAL 156 Ca -0.16 -2.80 -0.18 0.00 0.00 0.00 0.00 61.98 58.84 1j9r s VAL 156 Cb -0.17 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1j9r s VAL 156 CO 0.05 -0.81 1.11 -0.76 0.00 0.00 0.00 175.10 174.70 1j9r s LEU 157 N 0.20 3.65 0.74 3.92 1.43 -0.67 -0.33 118.68 127.62 1j9r s LEU 157 Ca 0.15 2.08 -0.13 0.00 -1.03 0.00 0.00 54.13 55.20 1j9r s LEU 157 Cb -0.22 -4.57 0.04 0.00 0.03 0.00 0.00 46.19 41.48 1j9r s LEU 157 CO -0.03 -1.27 1.12 -2.84 0.23 0.00 0.00 176.35 173.55 1j9r s PRO 158 N -3.53 2.31 0.35 1.29 0.02 -1.26 -0.57 135.00 133.60 1j9r s PRO 158 Ca 0.70 1.39 0.04 0.00 0.02 0.00 0.00 61.00 63.14 1j9r s PRO 158 Cb -0.22 -1.89 0.66 0.00 0.02 0.00 0.00 34.50 33.08 1j9r s PRO 158 CO 0.30 -1.63 1.98 0.00 -0.33 0.00 0.00 177.00 177.32 1j9r h ARG 159 N -0.64 0.82 -0.59 5.54 2.47 -1.90 -1.75 114.38 118.33 1j9r h ARG 159 Ca -0.45 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 1j9r h ARG 159 Cb 1.25 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 1j9r h ARG 159 CO 0.51 0.54 0.00 -0.85 0.56 0.00 0.00 179.97 180.73 1j9r n GLU 160 N -4.46 2.53 -0.04 0.04 0.00 -1.26 -0.20 120.64 117.26 1j9r n GLU 160 Ca 0.09 -1.59 0.00 0.00 0.00 0.00 0.00 57.16 55.67 1j9r n GLU 160 Cb 0.14 -1.61 -0.00 0.00 0.00 0.00 0.00 31.44 29.96 1j9r n GLU 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1j9r n GLY 161 N 0.75 -2.10 3.83 -1.84 0.00 -0.66 -4.83 105.19 100.33 1j9r n GLY 161 Ca 0.14 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 1j9r n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j9r s LEU 162 N 0.00 4.17 0.05 0.99 1.43 -1.26 -4.32 118.68 119.74 1j9r s LEU 162 Ca 0.00 1.44 -0.03 0.00 -1.03 0.00 0.00 54.13 54.51 1j9r s LEU 162 Cb 0.00 -3.98 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 1j9r s LEU 162 CO 0.00 -0.14 0.03 -1.00 0.23 0.00 0.00 176.35 175.47 1j9r s HIS 163 N -1.82 0.38 0.04 0.29 3.76 -1.26 -0.33 115.29 116.34 1j9r s HIS 163 Ca 0.51 -0.83 -0.01 0.00 -0.15 0.00 0.00 55.06 54.58 1j9r s HIS 163 Cb -0.13 -0.27 0.01 0.00 1.11 0.00 0.00 32.58 33.30 1j9r s HIS 163 CO 0.19 -0.38 0.05 -0.40 -0.85 0.00 0.00 174.74 173.34 1j9r n ASP 164 N 0.36 0.01 0.28 1.40 5.68 0.59 -4.83 116.55 120.06 1j9r n ASP 164 Ca -0.16 -1.02 0.17 0.00 -0.50 0.00 0.00 54.79 53.28 1j9r n ASP 164 Cb 0.60 -0.04 0.78 0.00 -1.14 0.00 0.00 41.12 41.33 1j9r n ASP 164 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1j9r h GLY 165 N -0.06 0.00 -2.46 6.12 0.00 -1.89 -2.72 103.07 102.05 1j9r h GLY 165 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1j9r h GLY 165 CO 0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.83 1j9r n LYS 166 N -3.20 2.59 -0.23 4.80 4.01 -1.26 -4.95 118.16 119.91 1j9r n LYS 166 Ca -0.01 -2.43 0.00 0.00 -0.51 0.00 0.00 58.31 55.37 1j9r n LYS 166 Cb 0.26 -1.54 0.00 0.00 -0.51 0.00 0.00 35.03 33.24 1j9r n LYS 166 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1j9r n GLY 167 N 1.57 0.95 3.76 0.72 0.00 -1.03 -5.04 105.19 106.13 1j9r n GLY 167 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 1j9r n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j9r s LYS 168 N -0.58 4.49 0.27 1.61 -0.14 -1.26 -4.69 119.74 119.43 1j9r s LYS 168 Ca 0.00 2.02 -0.29 0.00 -1.36 0.00 0.00 55.97 56.33 1j9r s LYS 168 Cb 0.00 -3.14 -0.10 0.00 -1.68 0.00 0.00 37.83 32.92 1j9r s LYS 168 CO 0.00 -0.01 1.30 0.00 -0.76 0.00 0.00 175.35 175.88 1j9r s ALA 169 N -1.05 3.52 -0.29 5.17 0.00 -1.26 -0.30 121.76 127.55 1j9r s ALA 169 Ca 0.47 1.18 0.02 0.00 0.00 0.00 0.00 51.96 53.63 1j9r s ALA 169 Cb -0.36 -3.47 0.07 0.00 0.00 0.00 0.00 23.12 19.35 1j9r s ALA 169 CO 0.46 -0.57 -0.05 -0.51 0.00 0.00 0.00 175.76 175.10 1j9r s LEU 170 N -0.97 3.84 -0.20 0.00 1.43 0.55 -4.83 118.68 118.51 1j9r s LEU 170 Ca 0.53 -1.52 -0.02 0.00 -1.03 0.00 0.00 54.13 52.09 1j9r s LEU 170 Cb -0.38 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1j9r s LEU 170 CO 0.45 -0.25 -0.11 -0.89 0.23 0.00 0.00 176.35 175.78 1j9r s THR 171 N 1.10 2.85 0.21 5.49 2.01 -1.26 -4.07 115.64 121.96 1j9r s THR 171 Ca -0.04 -0.68 -0.07 0.00 0.31 0.00 0.00 61.69 61.21 1j9r s THR 171 Cb -0.20 -2.26 -0.06 0.00 0.01 0.00 0.00 72.50 69.99 1j9r s THR 171 CO -0.05 0.48 0.49 -0.72 -0.69 0.00 0.00 174.62 174.13 1j9r s TYR 172 N 1.29 3.45 -0.07 4.92 -0.85 -1.26 -4.84 117.35 119.98 1j9r s TYR 172 Ca 0.04 0.73 -0.03 0.00 -0.52 0.00 0.00 57.07 57.29 1j9r s TYR 172 Cb -0.14 -2.15 -0.26 0.00 0.38 0.00 0.00 41.96 39.78 1j9r s TYR 172 CO -0.06 0.31 0.56 -0.44 -1.52 0.00 0.00 175.55 174.40 1j9r h ASP 173 N 2.50 0.35 -4.31 -0.18 3.32 -0.65 -3.48 116.42 113.97 1j9r h ASP 173 Ca -0.47 -0.69 -0.32 0.00 0.02 0.00 0.00 57.03 55.57 1j9r h ASP 173 Cb 1.17 -0.12 -0.17 0.00 0.22 0.00 0.00 39.33 40.43 1j9r h ASP 173 CO 0.70 1.60 -0.73 -0.54 -1.72 0.00 0.00 179.24 178.55 1j9r s LYS 174 N -2.58 0.88 -0.01 3.56 1.02 -0.69 -5.02 119.74 116.91 1j9r s LYS 174 Ca -0.16 -1.21 -0.00 0.00 0.02 0.00 0.00 55.97 54.63 1j9r s LYS 174 Cb 0.07 -0.56 0.01 0.00 -0.52 0.00 0.00 37.83 36.83 1j9r s LYS 174 CO 0.81 0.08 0.01 -1.50 -0.92 0.00 0.00 175.35 173.83 1j9r s ILE 175 N -2.57 -0.02 0.06 2.17 2.07 -1.26 -1.11 121.20 120.54 1j9r s ILE 175 Ca 0.07 0.08 0.05 0.00 -1.41 0.00 0.00 60.65 59.44 1j9r s ILE 175 Cb -0.02 -0.04 -0.03 0.00 0.13 0.00 0.00 42.46 42.51 1j9r s ILE 175 CO 0.00 0.03 -0.14 -0.31 -1.91 0.00 0.00 174.94 172.62 1j9r s TYR 176 N 0.38 1.17 -0.22 3.50 2.02 -0.59 -4.42 117.35 119.19 1j9r s TYR 176 Ca -0.03 -0.43 0.02 0.00 -0.37 0.00 0.00 57.07 56.26 1j9r s TYR 176 Cb -0.05 -0.67 0.04 0.00 -0.40 0.00 0.00 41.96 40.88 1j9r s TYR 176 CO -0.01 0.04 -0.15 -0.47 -1.57 0.00 0.00 175.55 173.39 1j9r s TYR 177 N -1.15 2.95 -0.36 2.71 5.04 0.52 -0.93 117.35 126.13 1j9r s TYR 177 Ca -0.02 -1.93 -0.09 0.00 -2.44 0.00 0.00 57.07 52.59 1j9r s TYR 177 Cb -0.09 -1.89 0.03 0.00 0.35 0.00 0.00 41.96 40.36 1j9r s TYR 177 CO 0.02 -0.83 0.16 0.08 -1.34 0.00 0.00 175.55 173.64 1j9r s VAL 178 N 1.22 4.21 -0.31 3.14 1.01 0.88 -4.14 120.40 126.41 1j9r s VAL 178 Ca -0.02 -1.00 -0.14 0.00 0.00 0.00 0.00 61.98 60.82 1j9r s VAL 178 Cb -0.16 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1j9r s VAL 178 CO -0.09 -0.22 0.33 -0.83 0.00 0.00 0.00 175.10 174.29 1j9r s GLY 179 N 1.49 1.90 -0.03 4.51 0.00 -1.26 -1.90 107.32 112.03 1j9r s GLY 179 Ca 0.00 -1.09 -0.16 0.00 0.00 0.00 0.00 44.72 43.47 1j9r s GLY 179 CO 0.05 0.92 0.45 1.85 0.00 0.00 0.00 173.10 176.36 1j9r s GLU 180 N 1.97 4.10 -0.07 2.90 2.12 -0.34 -1.71 118.70 127.68 1j9r s GLU 180 Ca 0.11 0.45 0.02 0.00 0.36 0.00 0.00 54.97 55.92 1j9r s GLU 180 Cb -0.16 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 30.94 1j9r s GLU 180 CO 0.11 0.50 -0.12 -1.14 -0.54 0.00 0.00 175.26 174.07 1j9r s GLN 181 N -0.48 1.66 -0.24 4.30 2.00 0.28 -4.53 119.66 122.66 1j9r s GLN 181 Ca 0.25 -0.40 -0.13 0.00 -2.00 0.00 0.00 55.36 53.08 1j9r s GLN 181 Cb -0.16 -1.39 -0.04 0.00 0.80 0.00 0.00 33.01 32.21 1j9r s GLN 181 CO 0.13 0.01 0.27 0.16 -0.50 0.00 0.00 175.29 175.36 1j9r s ASP 182 N 0.70 6.23 0.07 6.67 3.84 -1.26 -0.73 116.67 132.18 1j9r s ASP 182 Ca -0.14 0.25 0.06 0.00 -0.00 0.00 0.00 52.55 52.72 1j9r s ASP 182 Cb -0.16 -2.16 -0.04 0.00 -1.38 0.00 0.00 42.92 39.18 1j9r s ASP 182 CO 0.03 -0.03 -0.09 -0.36 -0.00 0.00 0.00 175.17 174.72 1j9r s PHE 183 N 1.35 2.77 -0.52 2.11 0.08 -0.00 -4.75 117.98 119.02 1j9r s PHE 183 Ca 0.12 -0.13 0.03 0.00 0.12 0.00 0.00 56.93 57.08 1j9r s PHE 183 Cb -0.14 -1.49 0.15 0.00 -0.57 0.00 0.00 43.02 40.96 1j9r s PHE 183 CO 0.07 0.39 0.32 0.71 -0.10 0.00 0.00 175.22 176.61 1j9r s TYR 184 N -1.12 2.56 -0.23 0.36 1.51 -1.26 -1.07 117.35 118.10 1j9r s TYR 184 Ca 0.20 -2.82 -0.17 0.00 -1.01 0.00 0.00 57.07 53.27 1j9r s TYR 184 Cb -0.11 -2.20 -0.03 0.00 -0.11 0.00 0.00 41.96 39.50 1j9r s TYR 184 CO 0.11 -0.72 0.46 0.08 -1.11 0.00 0.00 175.55 174.38 1j9r s VAL 185 N -0.28 5.13 0.67 0.71 1.01 -1.26 -4.76 120.40 121.62 1j9r s VAL 185 Ca 0.21 0.81 -0.17 0.00 0.00 0.00 0.00 61.98 62.83 1j9r s VAL 185 Cb -0.17 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1j9r s VAL 185 CO -0.06 0.17 1.26 -2.84 0.00 0.00 0.00 175.10 173.63 1j9r s PRO 186 N 1.77 2.44 0.18 2.72 0.02 -1.26 -4.89 135.00 135.98 1j9r s PRO 186 Ca 0.21 1.94 0.07 0.00 0.02 0.00 0.00 61.00 63.24 1j9r s PRO 186 Cb -0.15 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.47 1j9r s PRO 186 CO 0.09 -1.65 -0.15 1.03 -0.33 0.00 0.00 177.00 175.99 1j9r s ARG 187 N -3.55 1.26 0.65 5.54 0.52 -1.26 -1.54 118.95 120.57 1j9r s ARG 187 Ca 0.79 -1.50 -0.02 0.00 -0.52 0.00 0.00 55.73 54.49 1j9r s ARG 187 Cb -0.34 -1.10 0.13 0.00 0.52 0.00 0.00 34.95 34.16 1j9r s ARG 187 CO 0.41 0.19 0.90 -0.40 0.02 0.00 0.00 175.30 176.42 1j9r n ASP 188 N -0.11 1.05 0.00 0.23 5.68 0.21 -4.86 116.55 118.75 1j9r n ASP 188 Ca -0.10 -1.92 0.06 0.00 -0.50 0.00 0.00 54.79 52.32 1j9r n ASP 188 Cb 0.59 -0.59 0.35 0.00 -1.14 0.00 0.00 41.12 40.32 1j9r n ASP 188 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1j9r n GLU 189 N -2.69 0.49 -0.09 0.11 -0.58 -1.26 -1.11 120.64 115.50 1j9r n GLU 189 Ca 0.14 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.95 1j9r n GLU 189 Cb 0.51 -1.37 0.11 0.00 -0.57 0.00 0.00 31.44 30.12 1j9r n GLU 189 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1j9r n ASN 190 N -0.87 2.52 -0.09 1.62 5.03 -1.26 -4.96 115.26 117.24 1j9r n ASN 190 Ca 0.09 -1.75 -0.01 0.00 0.87 0.00 0.00 54.58 53.78 1j9r n ASN 190 Cb 0.04 -0.12 -0.01 0.00 -1.02 0.00 0.00 39.78 38.67 1j9r n ASN 190 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j9r n GLY 191 N 0.67 0.50 3.80 7.41 0.00 -0.27 -5.02 105.19 112.28 1j9r n GLY 191 Ca 0.10 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 1j9r n GLY 191 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j9r s LYS 192 N -1.03 4.07 0.30 1.61 2.20 -1.26 -4.80 119.74 120.84 1j9r s LYS 192 Ca 0.00 0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 55.75 1j9r s LYS 192 Cb 0.00 -3.29 -0.10 0.00 -1.51 0.00 0.00 37.83 32.93 1j9r s LYS 192 CO 0.00 0.52 1.37 0.71 -0.36 0.00 0.00 175.35 177.59 1j9r s TYR 193 N -0.54 3.00 0.30 4.03 1.51 -1.26 -0.62 117.35 123.77 1j9r s TYR 193 Ca 0.24 1.25 -0.07 0.00 -1.01 0.00 0.00 57.07 57.48 1j9r s TYR 193 Cb -0.16 -3.76 -0.06 0.00 -0.11 0.00 0.00 41.96 37.87 1j9r s TYR 193 CO 0.12 -2.25 0.59 0.15 -1.11 0.00 0.00 175.55 173.06 1j9r s LYS 194 N -1.26 3.69 0.12 -0.62 1.02 -0.59 -4.86 119.74 117.25 1j9r s LYS 194 Ca 0.53 0.14 0.11 0.00 0.02 0.00 0.00 55.97 56.77 1j9r s LYS 194 Cb -0.41 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 1j9r s LYS 194 CO 0.50 0.19 -0.27 0.15 -0.92 0.00 0.00 175.35 175.00 1j9r s LYS 195 N -3.45 1.44 0.06 1.68 1.02 -1.26 -4.74 119.74 114.49 1j9r s LYS 195 Ca 0.46 -1.32 0.05 0.00 0.02 0.00 0.00 55.97 55.18 1j9r s LYS 195 Cb -0.11 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.28 1j9r s LYS 195 CO 0.28 0.45 -0.13 0.71 -0.92 0.00 0.00 175.35 175.74 1j9r s TYR 196 N -1.04 1.14 -0.41 3.18 2.02 -1.26 -5.04 117.35 115.95 1j9r s TYR 196 Ca 0.14 -0.46 0.23 0.00 -0.37 0.00 0.00 57.07 56.61 1j9r s TYR 196 Cb -0.10 -0.65 0.26 0.00 -0.40 0.00 0.00 41.96 41.07 1j9r s TYR 196 CO 0.06 0.04 1.41 0.93 -1.57 0.00 0.00 175.55 176.42 1j9r h GLU 197 N 4.37 0.00 -4.39 -0.62 5.08 -2.01 -3.46 114.58 113.55 1j9r h GLU 197 Ca -0.40 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.71 1j9r h GLU 197 Cb 1.19 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.22 1j9r h GLU 197 CO 0.40 0.00 -0.73 0.00 -1.00 0.00 0.00 179.01 177.69 1j9r s ALA 198 N -3.25 0.44 0.09 3.43 0.00 -1.26 -5.07 121.76 116.14 1j9r s ALA 198 Ca 0.05 -0.67 -0.34 0.00 0.00 0.00 0.00 51.96 50.99 1j9r s ALA 198 Cb 0.08 0.06 -0.15 0.00 0.00 0.00 0.00 23.12 23.10 1j9r s ALA 198 CO 0.71 -0.04 1.57 -1.35 0.00 0.00 0.00 175.76 176.65 1j9r h PRO 199 N 4.67 -0.86 -1.07 0.00 0.11 -1.95 -2.15 132.00 130.75 1j9r h PRO 199 Ca -0.34 0.06 0.31 0.00 0.11 0.00 0.00 66.00 66.13 1j9r h PRO 199 Cb 1.20 0.20 -0.05 0.00 0.11 0.00 0.00 31.00 32.46 1j9r h PRO 199 CO 0.42 -0.57 0.76 0.78 -0.21 0.00 0.00 178.00 179.18 1j9r h GLY 200 N -0.89 0.08 1.05 -0.55 0.00 -1.99 -0.48 103.07 100.29 1j9r h GLY 200 Ca -0.04 -0.01 0.08 0.00 0.00 0.00 0.00 47.33 47.35 1j9r h GLY 200 CO -0.11 -0.01 0.44 -0.55 0.00 0.00 0.00 176.54 176.31 1j9r h ASP 201 N 0.03 0.54 0.36 0.19 3.45 -1.81 -2.33 116.42 116.86 1j9r h ASP 201 Ca 0.51 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.98 1j9r h ASP 201 Cb 2.01 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 40.67 1j9r h ASP 201 CO -0.02 0.34 -0.36 0.00 -1.57 0.00 0.00 179.24 177.62 1j9r n ALA 202 N -2.47 3.28 -0.03 3.45 0.00 -0.19 -4.54 120.51 120.01 1j9r n ALA 202 Ca 0.10 -0.37 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 1j9r n ALA 202 Cb 0.28 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.53 1j9r n ALA 202 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1j9r h TYR 203 N 0.63 -1.11 -0.24 0.00 5.03 -1.45 -0.09 116.97 119.74 1j9r h TYR 203 Ca 0.00 0.05 0.06 0.00 2.58 0.00 0.00 58.73 61.42 1j9r h TYR 203 Cb 0.50 0.50 -0.07 0.00 1.55 0.00 0.00 36.73 39.21 1j9r h TYR 203 CO 0.00 -0.36 -0.27 1.49 -1.32 0.00 0.00 178.16 177.70 1j9r h GLU 204 N -0.36 -0.27 -0.99 1.82 4.81 -1.80 -1.14 114.58 116.65 1j9r h GLU 204 Ca 0.03 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1j9r h GLU 204 Cb 0.44 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.83 1j9r h GLU 204 CO -0.32 -0.18 0.65 -0.44 -0.73 0.00 0.00 179.01 177.99 1j9r h ASP 205 N -0.28 1.08 -0.46 1.04 3.45 -1.81 -2.68 116.42 116.76 1j9r h ASP 205 Ca 0.13 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.56 1j9r h ASP 205 Cb 0.49 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.99 1j9r h ASP 205 CO -0.40 0.74 0.19 0.74 -1.57 0.00 0.00 179.24 178.94 1j9r h THR 206 N 1.26 1.20 -0.66 0.35 2.02 -0.29 -2.90 112.91 113.88 1j9r h THR 206 Ca 0.40 -0.60 0.10 0.00 0.77 0.00 0.00 66.41 67.07 1j9r h THR 206 Cb 0.00 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 1j9r h THR 206 CO -0.13 0.23 0.44 0.58 0.37 0.00 0.00 175.52 177.01 1j9r h VAL 207 N 0.59 0.91 -0.13 3.16 2.07 -0.89 -0.61 116.25 121.36 1j9r h VAL 207 Ca 0.15 -0.18 -0.15 0.00 0.82 0.00 0.00 66.70 67.34 1j9r h VAL 207 Cb 0.17 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1j9r h VAL 207 CO -0.01 0.09 -0.57 0.50 0.02 0.00 0.00 177.57 177.60 1j9r h LYS 208 N 0.52 0.41 -0.21 1.57 3.64 -1.40 -2.38 116.57 118.71 1j9r h LYS 208 Ca 0.31 -0.27 -0.21 0.00 -1.27 0.00 0.00 60.65 59.21 1j9r h LYS 208 Cb 0.51 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1j9r h LYS 208 CO -0.10 0.87 -0.68 0.28 -2.27 0.00 0.00 179.45 177.55 1j9r h VAL 209 N 0.31 1.27 -0.78 2.00 2.07 -1.21 -3.08 116.25 116.83 1j9r h VAL 209 Ca 0.00 -1.87 0.06 0.00 0.82 0.00 0.00 66.70 65.71 1j9r h VAL 209 Cb 1.10 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 32.65 1j9r h VAL 209 CO 0.10 0.60 0.51 0.24 0.02 0.00 0.00 177.57 179.04 1j9r h MET 210 N 0.60 0.84 0.00 1.57 2.86 -1.06 -1.65 114.93 118.09 1j9r h MET 210 Ca -0.02 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1j9r h MET 210 Cb 1.31 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.78 1j9r h MET 210 CO 0.15 0.56 -0.00 0.00 1.06 0.00 0.00 176.91 178.67 1j9r h ARG 211 N 0.86 0.00 0.00 1.72 3.08 -1.33 -0.37 114.38 118.35 1j9r h ARG 211 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1j9r h ARG 211 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1j9r h ARG 211 CO -0.11 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.04 1j9r n THR 212 N -3.52 0.21 -1.79 2.04 -2.24 -0.62 -4.89 114.28 103.48 1j9r n THR 212 Ca -0.03 -0.02 -0.17 0.00 -2.27 0.00 0.00 64.05 61.56 1j9r n THR 212 Cb 0.08 -0.57 -0.05 0.00 -2.10 0.00 0.00 70.33 67.68 1j9r n THR 212 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1j9r n LEU 213 N -1.64 -1.36 -3.94 3.22 4.77 -0.15 -4.92 117.00 112.99 1j9r n LEU 213 Ca 0.06 0.31 -0.31 0.00 -0.03 0.00 0.00 56.01 56.05 1j9r n LEU 213 Cb 0.34 -2.49 -0.15 0.00 -2.33 0.00 0.00 43.42 38.79 1j9r n LEU 213 CO 0.26 -0.67 -0.34 -0.89 -1.33 0.00 0.00 177.39 174.42 1j9r s THR 214 N -2.58 1.82 0.48 -5.08 2.01 -1.26 -5.11 115.64 105.92 1j9r s THR 214 Ca 0.00 -1.96 -0.23 0.00 0.31 0.00 0.00 61.69 59.81 1j9r s THR 214 Cb 0.00 -2.31 -0.07 0.00 0.01 0.00 0.00 72.50 70.13 1j9r s THR 214 CO 0.00 -0.56 1.23 -2.16 -0.69 0.00 0.00 174.62 172.44 1j9r s PRO 215 N 1.15 3.57 0.17 4.92 0.04 -1.26 -4.91 135.00 138.69 1j9r s PRO 215 Ca 0.08 1.93 0.12 0.00 0.04 0.00 0.00 61.00 63.18 1j9r s PRO 215 Cb -0.19 -2.37 -0.08 0.00 0.04 0.00 0.00 34.50 31.90 1j9r s PRO 215 CO -0.13 -0.75 1.26 1.79 0.04 0.00 0.00 177.00 179.22 1j9r h THR 216 N 1.76 1.13 -3.82 1.26 1.35 -1.46 -3.46 112.91 109.68 1j9r h THR 216 Ca -0.50 -2.67 -0.20 0.00 -0.55 0.00 0.00 66.41 62.50 1j9r h THR 216 Cb 1.26 2.53 -0.24 0.00 -1.73 0.00 0.00 68.15 69.98 1j9r h THR 216 CO 0.59 0.65 -0.69 -1.00 -0.25 0.00 0.00 175.52 174.82 1j9r s HIS 217 N -2.84 0.12 -0.19 4.73 3.76 -1.08 -4.87 115.29 114.92 1j9r s HIS 217 Ca 0.02 -0.24 -0.03 0.00 -0.15 0.00 0.00 55.06 54.65 1j9r s HIS 217 Cb 0.09 -0.09 0.06 0.00 1.11 0.00 0.00 32.58 33.74 1j9r s HIS 217 CO 0.79 -0.11 0.05 0.08 -0.85 0.00 0.00 174.74 174.69 1j9r s VAL 218 N -0.76 0.39 0.18 -0.90 1.01 -0.55 -0.82 120.40 118.94 1j9r s VAL 218 Ca -0.08 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1j9r s VAL 218 Cb -0.05 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 1j9r s VAL 218 CO -0.00 -0.22 0.01 0.68 0.00 0.00 0.00 175.10 175.56 1j9r s VAL 219 N 1.92 0.68 -0.06 2.92 -7.23 0.09 0.33 120.40 119.04 1j9r s VAL 219 Ca -0.00 -1.98 -0.01 0.00 -1.81 0.00 0.00 61.98 58.17 1j9r s VAL 219 Cb -0.17 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 1j9r s VAL 219 CO -0.08 -0.43 -0.00 -0.36 -0.31 0.00 0.00 175.10 173.91 1j9r s PHE 220 N -3.66 3.12 -1.58 2.82 0.08 -1.26 0.99 117.98 118.50 1j9r s PHE 220 Ca 0.25 0.15 -0.14 0.00 0.12 0.00 0.00 56.93 57.31 1j9r s PHE 220 Cb 0.06 -1.75 0.10 0.00 -0.57 0.00 0.00 43.02 40.86 1j9r s PHE 220 CO 0.05 0.46 0.89 -1.71 -0.10 0.00 0.00 175.22 174.81 1j9r n ASN 221 N 1.98 -4.04 0.00 1.36 4.05 -0.69 -2.94 115.26 114.98 1j9r n ASN 221 Ca -0.18 -0.86 0.00 0.00 0.45 0.00 0.00 54.58 53.99 1j9r n ASN 221 Cb 0.53 -3.50 0.00 0.00 1.23 0.00 0.00 39.78 38.04 1j9r n ASN 221 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1j9r n GLY 222 N -1.61 2.76 3.46 8.20 0.00 -0.80 -4.76 105.19 112.45 1j9r n GLY 222 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1j9r n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9r s ALA 223 N -2.89 -1.67 0.28 4.61 0.00 -1.15 -4.57 121.76 116.37 1j9r s ALA 223 Ca 0.00 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 52.47 1j9r s ALA 223 Cb 0.00 0.54 -0.12 0.00 0.00 0.00 0.00 23.12 23.54 1j9r s ALA 223 CO 0.00 -0.63 1.55 0.28 0.00 0.00 0.00 175.76 176.97 1j9r n VAL 224 N 0.07 1.01 -1.02 0.00 0.31 0.56 -1.32 118.33 117.94 1j9r n VAL 224 Ca -0.17 -0.25 -0.01 0.00 -0.01 0.00 0.00 64.34 63.90 1j9r n VAL 224 Cb 0.62 -1.85 -0.00 0.00 -0.91 0.00 0.00 33.84 31.70 1j9r n VAL 224 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j9r n GLY 225 N 2.16 0.15 0.26 2.92 0.00 -1.26 -4.86 105.19 104.56 1j9r n GLY 225 Ca 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 46.12 1j9r n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9r h ALA 226 N 0.00 0.94 -0.96 4.61 0.00 -1.43 -2.49 119.26 119.93 1j9r h ALA 226 Ca -0.01 0.06 -0.70 0.00 0.00 0.00 0.00 54.91 54.26 1j9r h ALA 226 Cb 0.82 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.32 1j9r h ALA 226 CO 0.02 -0.08 0.93 1.28 0.00 0.00 0.00 179.25 181.40 1j9r n LEU 227 N -4.89 7.53 -4.35 0.00 4.77 -1.26 -4.50 117.00 114.29 1j9r n LEU 227 Ca 0.10 -4.49 -0.18 0.00 -0.03 0.00 0.00 56.01 51.42 1j9r n LEU 227 Cb 0.27 -1.04 -0.10 0.00 -2.33 0.00 0.00 43.42 40.22 1j9r n LEU 227 CO 0.24 1.60 -0.28 0.42 -1.33 0.00 0.00 177.39 178.05 1j9r s THR 228 N -4.73 0.83 0.00 -5.08 -4.23 -0.94 -1.37 115.64 100.13 1j9r s THR 228 Ca 0.57 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1j9r s THR 228 Cb 0.46 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.70 1j9r s THR 228 CO -0.21 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 1j9r n GLY 229 N -0.51 2.37 0.15 3.99 0.00 -1.26 -1.35 105.19 108.58 1j9r n GLY 229 Ca -0.02 0.36 0.12 0.00 0.00 0.00 0.00 46.02 46.48 1j9r n GLY 229 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j9r n ASP 230 N 8.71 0.65 -0.31 1.61 5.75 -1.26 -2.37 116.55 129.33 1j9r n ASP 230 Ca 0.00 0.71 0.08 0.00 -0.01 0.00 0.00 54.79 55.58 1j9r n ASP 230 Cb 0.00 -0.83 0.16 0.00 -1.03 0.00 0.00 41.12 39.41 1j9r n ASP 230 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1j9r n LYS 231 N -2.28 2.01 -2.19 0.11 5.02 -0.46 -5.03 118.16 115.34 1j9r n LYS 231 Ca 0.01 -2.49 -0.40 0.00 -2.02 0.00 0.00 58.31 53.41 1j9r n LYS 231 Cb 0.15 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 1j9r n LYS 231 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j9r s ALA 232 N -2.54 3.32 0.34 7.82 0.00 -1.00 -4.14 121.76 125.56 1j9r s ALA 232 Ca 0.30 1.13 -0.26 0.00 0.00 0.00 0.00 51.96 53.13 1j9r s ALA 232 Cb 0.25 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 1j9r s ALA 232 CO 0.05 -0.60 1.01 -1.64 0.00 0.00 0.00 175.76 174.58 1j9r s MET 233 N -2.02 4.45 0.31 0.00 -1.94 -0.26 -4.81 119.30 115.03 1j9r s MET 233 Ca 0.53 1.50 0.09 0.00 -1.71 0.00 0.00 55.69 56.10 1j9r s MET 233 Cb -0.36 -2.80 -0.05 0.00 2.01 0.00 0.00 34.83 33.63 1j9r s MET 233 CO 0.46 0.12 -0.00 0.95 -0.01 0.00 0.00 175.02 176.54 1j9r s THR 234 N -1.52 2.93 0.04 2.05 -4.23 -1.26 -0.09 115.64 113.56 1j9r s THR 234 Ca 0.51 -1.97 -0.27 0.00 -1.18 0.00 0.00 61.69 58.78 1j9r s THR 234 Cb -0.23 -2.77 0.09 0.00 1.34 0.00 0.00 72.50 70.93 1j9r s THR 234 CO 0.29 -0.28 1.21 0.00 -0.54 0.00 0.00 174.62 175.30 1j9r s ALA 235 N -2.44 -2.17 0.02 3.99 0.00 -0.94 -4.91 121.76 115.31 1j9r s ALA 235 Ca 0.33 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 52.28 1j9r s ALA 235 Cb -0.03 0.79 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 1j9r s ALA 235 CO 0.19 -1.11 0.01 0.00 0.00 0.00 0.00 175.76 174.85 1j9r s ALA 236 N -2.14 0.09 0.17 0.00 0.00 -1.26 -2.08 121.76 116.55 1j9r s ALA 236 Ca 0.25 -0.61 -0.33 0.00 0.00 0.00 0.00 51.96 51.27 1j9r s ALA 236 Cb -0.00 0.18 -0.16 0.00 0.00 0.00 0.00 23.12 23.13 1j9r s ALA 236 CO 0.01 -0.22 1.14 0.28 0.00 0.00 0.00 175.76 176.97 1j9r n VAL 237 N 1.25 0.94 -0.05 0.00 0.31 -0.56 -0.55 118.33 119.67 1j9r n VAL 237 Ca -0.22 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1j9r n VAL 237 Cb 0.56 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 1j9r n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j9r n GLY 238 N 1.97 1.56 3.77 2.92 0.00 0.19 -4.98 105.19 110.62 1j9r n GLY 238 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1j9r n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j9r s GLU 239 N -0.45 4.61 -0.22 1.61 2.12 0.28 -4.85 118.70 121.80 1j9r s GLU 239 Ca 0.00 1.21 -0.15 0.00 0.36 0.00 0.00 54.97 56.39 1j9r s GLU 239 Cb 0.00 -3.28 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 1j9r s GLU 239 CO 0.00 0.52 0.37 0.15 -0.54 0.00 0.00 175.26 175.76 1j9r s LYS 240 N -0.99 4.14 -0.05 4.30 1.02 -1.26 -2.22 119.74 124.68 1j9r s LYS 240 Ca 0.37 0.13 0.05 0.00 0.02 0.00 0.00 55.97 56.54 1j9r s LYS 240 Cb -0.23 -3.56 -0.01 0.00 -0.52 0.00 0.00 37.83 33.51 1j9r s LYS 240 CO 0.27 -0.07 -0.20 0.08 -0.92 0.00 0.00 175.35 174.50 1j9r s VAL 241 N 1.43 1.70 -0.21 3.17 1.01 0.66 0.18 120.40 128.33 1j9r s VAL 241 Ca 0.17 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.22 1j9r s VAL 241 Cb -0.15 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 1j9r s VAL 241 CO 0.08 0.48 0.05 -0.22 0.00 0.00 0.00 175.10 175.49 1j9r s LEU 242 N -0.00 3.55 -0.37 3.92 2.96 -0.26 -0.95 118.68 127.53 1j9r s LEU 242 Ca -0.05 -0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 53.73 1j9r s LEU 242 Cb -0.13 -1.92 0.08 0.00 0.50 0.00 0.00 46.19 44.72 1j9r s LEU 242 CO 0.03 0.07 0.14 -0.63 -1.32 0.00 0.00 176.35 174.63 1j9r s ILE 243 N 1.01 3.40 0.07 6.68 1.01 0.11 -1.54 121.20 131.94 1j9r s ILE 243 Ca 0.04 -1.63 -0.25 0.00 0.00 0.00 0.00 60.65 58.81 1j9r s ILE 243 Cb -0.14 -3.12 -0.06 0.00 0.01 0.00 0.00 42.46 39.15 1j9r s ILE 243 CO 0.03 -0.42 0.75 -0.69 0.00 0.00 0.00 174.94 174.61 1j9r s VAL 244 N 1.25 4.66 -0.02 2.92 1.01 -0.11 -1.66 120.40 128.45 1j9r s VAL 244 Ca 0.02 1.61 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1j9r s VAL 244 Cb -0.21 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.08 1j9r s VAL 244 CO -0.01 0.41 -0.00 -2.28 0.00 0.00 0.00 175.10 173.21 1j9r s HIS 245 N -0.35 0.25 0.10 5.22 5.04 -0.22 -0.08 115.29 125.25 1j9r s HIS 245 Ca 0.37 0.00 0.03 0.00 -1.54 0.00 0.00 55.06 53.92 1j9r s HIS 245 Cb -0.21 -0.30 -0.04 0.00 0.04 0.00 0.00 32.58 32.07 1j9r s HIS 245 CO 0.23 -0.08 -0.09 -1.54 -2.34 0.00 0.00 174.74 170.92 1j9r s SER 246 N 0.68 1.38 -0.24 9.88 1.04 -0.80 -0.05 113.70 125.59 1j9r s SER 246 Ca -0.07 -0.87 -0.02 0.00 0.48 0.00 0.00 55.95 55.47 1j9r s SER 246 Cb -0.10 0.03 0.13 0.00 0.10 0.00 0.00 66.02 66.18 1j9r s SER 246 CO -0.01 -0.32 0.34 -1.58 0.98 0.00 0.00 173.24 172.66 1j9r s GLN 247 N -3.09 0.32 0.31 4.02 -0.44 -0.74 -1.20 119.66 118.84 1j9r s GLN 247 Ca 0.07 0.38 0.26 0.00 -2.50 0.00 0.00 55.36 53.58 1j9r s GLN 247 Cb -0.01 -0.62 0.84 0.00 -1.64 0.00 0.00 33.01 31.58 1j9r s GLN 247 CO -0.01 -0.71 1.76 0.00 0.50 0.00 0.00 175.29 176.83 1j9r h ALA 248 N 8.21 1.00 0.00 1.58 0.00 -1.81 0.54 119.26 128.79 1j9r h ALA 248 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1j9r h ALA 248 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1j9r h ALA 248 CO 0.28 0.00 -0.17 -1.71 0.00 0.00 0.00 179.25 177.65 1j9r n ASN 249 N -2.52 0.83 -3.85 0.00 5.15 -1.26 -3.19 115.26 110.42 1j9r n ASN 249 Ca 0.04 -0.05 -0.12 0.00 -0.60 0.00 0.00 54.58 53.85 1j9r n ASN 249 Cb 0.38 0.26 -0.11 0.00 -0.53 0.00 0.00 39.78 39.79 1j9r n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1j9r s ARG 250 N -0.43 0.36 0.73 1.20 3.52 -1.26 -4.68 118.95 118.40 1j9r s ARG 250 Ca 0.00 -0.13 -0.16 0.00 -0.13 0.00 0.00 55.73 55.32 1j9r s ARG 250 Cb 0.00 0.16 0.01 0.00 -1.56 0.00 0.00 34.95 33.55 1j9r s ARG 250 CO 0.00 -0.08 0.92 -0.25 -0.81 0.00 0.00 175.30 175.08 1j9r n ASP 251 N 2.11 0.25 -3.71 -2.12 10.43 -1.26 -3.62 116.55 118.63 1j9r n ASP 251 Ca -0.18 0.64 -0.11 0.00 2.57 0.00 0.00 54.79 57.71 1j9r n ASP 251 Cb 0.57 -1.39 -0.06 0.00 1.84 0.00 0.00 41.12 42.08 1j9r n ASP 251 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 1j9r s THR 252 N -1.87 0.08 -0.42 -3.53 -1.32 -0.09 -4.82 115.64 103.67 1j9r s THR 252 Ca 0.72 -0.68 0.02 0.00 -1.21 0.00 0.00 61.69 60.54 1j9r s THR 252 Cb -0.34 -1.08 0.15 0.00 -1.51 0.00 0.00 72.50 69.72 1j9r s THR 252 CO 0.52 -0.38 0.30 0.00 -2.21 0.00 0.00 174.62 172.85 1j9r s ARG 253 N -3.17 0.99 0.54 7.08 1.70 -1.26 -0.45 118.95 124.38 1j9r s ARG 253 Ca -0.01 -1.95 -0.21 0.00 -0.47 0.00 0.00 55.73 53.09 1j9r s ARG 253 Cb 0.01 -1.71 -0.05 0.00 -0.57 0.00 0.00 34.95 32.63 1j9r s ARG 253 CO -0.07 -1.28 1.28 -2.14 -1.08 0.00 0.00 175.30 172.00 1j9r s PRO 254 N 0.30 3.22 -0.19 3.89 0.02 -1.14 0.28 135.00 141.39 1j9r s PRO 254 Ca 0.25 2.03 -0.13 0.00 0.02 0.00 0.00 61.00 63.17 1j9r s PRO 254 Cb -0.10 -2.20 0.06 0.00 0.02 0.00 0.00 34.50 32.28 1j9r s PRO 254 CO -0.10 -1.06 0.47 -1.58 -0.33 0.00 0.00 177.00 174.41 1j9r s HIS 255 N -1.43 -0.65 -0.49 6.54 2.46 0.30 -1.55 115.29 120.48 1j9r s HIS 255 Ca 0.72 1.42 -0.17 0.00 0.47 0.00 0.00 55.06 57.50 1j9r s HIS 255 Cb -0.35 0.30 0.07 0.00 -0.13 0.00 0.00 32.58 32.47 1j9r s HIS 255 CO 0.41 -0.35 0.47 -1.17 -2.47 0.00 0.00 174.74 171.63 1j9r s LEU 256 N 1.09 5.47 -0.24 8.88 2.96 -1.26 -1.06 118.68 134.52 1j9r s LEU 256 Ca -0.07 -1.24 -0.29 0.00 -0.22 0.00 0.00 54.13 52.32 1j9r s LEU 256 Cb -0.06 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 1j9r s LEU 256 CO -0.10 -0.73 1.88 -0.63 -1.32 0.00 0.00 176.35 175.45 1j9r s ILE 257 N 1.93 3.37 0.00 6.68 1.01 0.21 -0.96 121.20 133.44 1j9r s ILE 257 Ca 0.07 0.39 0.00 0.00 0.00 0.00 0.00 60.65 61.11 1j9r s ILE 257 Cb -0.23 -3.44 0.00 0.00 0.01 0.00 0.00 42.46 38.80 1j9r s ILE 257 CO 0.08 -0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.39 1j9r n GLY 258 N 5.24 0.83 0.00 6.18 0.00 -1.26 -3.60 105.19 112.58 1j9r n GLY 258 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1j9r n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9r n GLY 259 N -1.41 5.86 2.04 -0.02 0.00 -0.14 -5.02 105.19 106.50 1j9r n GLY 259 Ca 0.00 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.39 1j9r n GLY 259 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1j9r n HIS 260 N 0.00 -1.12 -3.84 1.61 -0.00 -1.26 -4.68 115.22 105.93 1j9r n HIS 260 Ca 0.00 -1.38 -0.34 0.00 -0.00 0.00 0.00 57.72 56.00 1j9r n HIS 260 Cb 0.00 0.35 -0.12 0.00 -0.00 0.00 0.00 29.99 30.22 1j9r n HIS 260 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1j9r s GLY 261 N -2.30 2.28 0.26 -1.41 0.00 -0.07 -4.74 107.32 101.35 1j9r s GLY 261 Ca 0.17 -2.98 -0.02 0.00 0.00 0.00 0.00 44.72 41.89 1j9r s GLY 261 CO 0.12 1.03 1.81 -0.55 0.00 0.00 0.00 173.10 175.51 1j9r h ASP 262 N 7.22 0.73 -3.42 1.64 3.32 -1.57 -0.81 116.42 123.53 1j9r h ASP 262 Ca -0.06 0.06 -0.38 0.00 0.02 0.00 0.00 57.03 56.66 1j9r h ASP 262 Cb 0.97 -0.08 -0.35 0.00 0.22 0.00 0.00 39.33 40.09 1j9r h ASP 262 CO 0.67 0.38 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.51 1j9r s TYR 263 N -5.99 0.47 -0.10 4.55 1.51 -0.96 -1.38 117.35 115.45 1j9r s TYR 263 Ca -0.12 -0.07 -0.01 0.00 -1.01 0.00 0.00 57.07 55.86 1j9r s TYR 263 Cb 0.21 -0.56 0.03 0.00 -0.11 0.00 0.00 41.96 41.53 1j9r s TYR 263 CO 0.79 -0.19 -0.01 0.08 -1.11 0.00 0.00 175.55 175.11 1j9r s VAL 264 N 1.28 0.55 -1.11 0.71 1.01 0.91 -0.19 120.40 123.56 1j9r s VAL 264 Ca -0.06 -0.06 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 1j9r s VAL 264 Cb -0.13 -0.72 0.15 0.00 0.00 0.00 0.00 36.38 35.68 1j9r s VAL 264 CO -0.02 0.22 1.33 0.26 0.00 0.00 0.00 175.10 176.90 1j9r s TRP 265 N 1.90 3.33 0.29 5.22 0.51 -0.25 -0.07 118.94 129.88 1j9r s TRP 265 Ca 0.04 -1.84 -0.01 0.00 -2.12 0.00 0.00 56.10 52.17 1j9r s TRP 265 Cb -0.13 -4.32 0.47 0.00 -0.81 0.00 0.00 33.47 28.68 1j9r s TRP 265 CO -0.06 -1.45 1.93 0.00 -0.51 0.00 0.00 176.95 176.86 1j9r h ALA 266 N 7.80 1.46 0.00 0.98 0.00 -1.90 0.67 119.26 128.27 1j9r h ALA 266 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1j9r h ALA 266 Cb 0.93 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1j9r h ALA 266 CO 1.20 0.44 0.00 0.25 0.00 0.00 0.00 179.25 181.15 1j9r n THR 267 N -4.46 0.02 -0.98 0.00 -2.24 -1.26 -4.50 114.28 100.86 1j9r n THR 267 Ca 0.12 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1j9r n THR 267 Cb 0.13 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1j9r n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9r n GLY 268 N 1.41 0.82 3.55 3.38 0.00 0.20 -4.69 105.19 109.86 1j9r n GLY 268 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1j9r n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j9r s LYS 269 N -0.07 3.84 0.52 1.61 -0.14 -1.26 -0.10 119.74 124.14 1j9r s LYS 269 Ca 0.00 -0.40 0.30 0.00 -1.36 0.00 0.00 55.97 54.51 1j9r s LYS 269 Cb 0.00 -3.29 1.38 0.00 -1.68 0.00 0.00 37.83 34.24 1j9r s LYS 269 CO 0.00 0.05 2.01 0.74 -0.76 0.00 0.00 175.35 177.38 1j9r h PHE 270 N 7.46 0.00 -0.01 3.18 0.05 -1.82 -2.47 116.94 123.34 1j9r h PHE 270 Ca -0.37 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.42 1j9r h PHE 270 Cb 1.17 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.12 1j9r h PHE 270 CO 0.62 0.10 -0.02 0.09 -0.18 0.00 0.00 178.31 178.93 1j9r n ASN 271 N -3.34 0.95 -4.48 2.17 3.02 -1.26 -4.58 115.26 107.74 1j9r n ASN 271 Ca -0.01 -1.25 -0.40 0.00 -0.03 0.00 0.00 54.58 52.89 1j9r n ASN 271 Cb 0.30 -0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.36 1j9r n ASN 271 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1j9r s THR 272 N -2.06 5.04 0.16 3.41 2.01 -0.93 -5.04 115.64 118.22 1j9r s THR 272 Ca 0.40 -0.38 -0.33 0.00 0.31 0.00 0.00 61.69 61.69 1j9r s THR 272 Cb 0.21 -3.63 -0.16 0.00 0.01 0.00 0.00 72.50 68.93 1j9r s THR 272 CO 0.36 -0.05 1.10 -2.65 -0.69 0.00 0.00 174.62 172.70 1j9r n PRO 273 N 5.07 0.94 -2.45 4.92 -0.02 -1.26 -4.84 135.00 137.35 1j9r n PRO 273 Ca -0.13 0.33 -0.34 0.00 -2.02 0.00 0.00 63.50 61.35 1j9r n PRO 273 Cb 0.49 -1.79 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 1j9r n PRO 273 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1j9r s PRO 274 N -0.39 3.68 0.68 0.52 0.04 -1.26 -4.92 135.00 133.36 1j9r s PRO 274 Ca 0.74 1.38 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 1j9r s PRO 274 Cb -0.90 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 31.56 1j9r s PRO 274 CO 0.53 -0.53 1.06 -0.51 0.04 0.00 0.00 177.00 177.59 1j9r s ASP 275 N -2.04 5.67 0.15 6.66 1.01 0.90 -4.72 116.67 124.30 1j9r s ASP 275 Ca 0.68 1.36 0.06 0.00 0.71 0.00 0.00 52.55 55.35 1j9r s ASP 275 Cb -0.17 -2.27 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 1j9r s ASP 275 CO 0.23 -1.22 -0.13 0.68 0.21 0.00 0.00 175.17 174.93 1j9r s VAL 276 N -3.21 1.38 -1.55 -1.27 -7.23 -1.26 -0.06 120.40 107.20 1j9r s VAL 276 Ca 0.57 -1.92 -0.03 0.00 -1.81 0.00 0.00 61.98 58.79 1j9r s VAL 276 Cb -0.12 -1.73 0.01 0.00 0.56 0.00 0.00 36.38 35.10 1j9r s VAL 276 CO 0.54 -0.54 0.31 0.47 -0.31 0.00 0.00 175.10 175.57 1j9r n ASP 277 N 0.14 -5.57 -4.77 4.85 10.43 -0.48 -4.94 116.55 116.22 1j9r n ASP 277 Ca -0.12 -0.14 -0.40 0.00 2.57 0.00 0.00 54.79 56.69 1j9r n ASP 277 Cb 0.59 -4.57 -0.02 0.00 1.84 0.00 0.00 41.12 38.95 1j9r n ASP 277 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1j9r s GLN 278 N -5.43 4.34 -0.22 -1.24 -1.52 -0.32 -4.82 119.66 110.45 1j9r s GLN 278 Ca 0.17 2.05 -0.11 0.00 -1.95 0.00 0.00 55.36 55.52 1j9r s GLN 278 Cb -0.08 -3.01 -0.18 0.00 -0.22 0.00 0.00 33.01 29.53 1j9r s GLN 278 CO 0.21 -0.14 -0.02 -0.85 -0.25 0.00 0.00 175.29 174.24 1j9r n GLU 279 N 0.71 0.63 -3.72 2.91 0.28 -1.26 -0.89 120.64 119.30 1j9r n GLU 279 Ca 0.01 0.33 -0.15 0.00 -0.16 0.00 0.00 57.16 57.19 1j9r n GLU 279 Cb 0.43 -1.61 -0.15 0.00 1.43 0.00 0.00 31.44 31.54 1j9r n GLU 279 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1j9r s THR 280 N -2.48 -0.11 0.53 3.84 2.01 -1.26 -4.32 115.64 113.84 1j9r s THR 280 Ca -0.32 0.23 0.07 0.00 0.31 0.00 0.00 61.69 61.99 1j9r s THR 280 Cb 0.09 -0.25 0.04 0.00 0.01 0.00 0.00 72.50 72.40 1j9r s THR 280 CO 0.60 0.10 0.52 -1.66 -0.69 0.00 0.00 174.62 173.49 1j9r s TRP 281 N 1.50 1.78 -0.07 4.92 -2.14 -0.60 -4.97 118.94 119.36 1j9r s TRP 281 Ca -0.06 -0.73 0.01 0.00 2.66 0.00 0.00 56.10 57.98 1j9r s TRP 281 Cb -0.12 -2.06 0.02 0.00 -3.10 0.00 0.00 33.47 28.21 1j9r s TRP 281 CO -0.06 -0.62 -0.09 0.12 -2.66 0.00 0.00 176.95 173.64 1j9r s PHE 282 N -2.68 1.22 -0.20 1.66 5.36 -1.26 -2.88 117.98 119.20 1j9r s PHE 282 Ca 0.46 -0.46 0.01 0.00 -0.96 0.00 0.00 56.93 55.98 1j9r s PHE 282 Cb -0.04 -0.97 0.04 0.00 -0.34 0.00 0.00 43.02 41.72 1j9r s PHE 282 CO 0.28 -0.29 -0.13 0.42 -1.46 0.00 0.00 175.22 174.04 1j9r s ILE 283 N 0.96 1.83 0.44 3.12 1.01 0.41 -4.73 121.20 124.23 1j9r s ILE 283 Ca -0.10 -1.09 -0.24 0.00 0.00 0.00 0.00 60.65 59.23 1j9r s ILE 283 Cb -0.15 -1.84 -0.08 0.00 0.01 0.00 0.00 42.46 40.40 1j9r s ILE 283 CO 0.00 0.23 1.15 -2.16 0.00 0.00 0.00 174.94 174.16 1j9r s PRO 284 N 1.32 3.89 0.28 2.79 0.04 -1.26 -0.91 135.00 141.15 1j9r s PRO 284 Ca -0.01 1.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.48 1j9r s PRO 284 Cb -0.16 -2.49 -0.13 0.00 0.04 0.00 0.00 34.50 31.76 1j9r s PRO 284 CO -0.09 -0.43 1.23 0.41 0.04 0.00 0.00 177.00 178.16 1j9r n GLY 285 N 0.46 0.35 0.89 0.56 0.00 -1.24 -2.10 105.19 104.12 1j9r n GLY 285 Ca 0.06 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1j9r n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9r n GLY 286 N 1.41 0.73 3.49 -0.02 0.00 0.19 -4.75 105.19 106.23 1j9r n GLY 286 Ca 0.09 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.60 1j9r n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9r s ALA 287 N -2.00 0.20 0.09 4.61 0.00 -0.89 -4.80 121.76 118.96 1j9r s ALA 287 Ca 0.00 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 50.88 1j9r s ALA 287 Cb 0.00 1.16 -0.03 0.00 0.00 0.00 0.00 23.12 24.24 1j9r s ALA 287 CO 0.00 -0.79 -0.15 0.00 0.00 0.00 0.00 175.76 174.82 1j9r s ALA 288 N -3.95 1.34 0.29 0.00 0.00 -1.26 -1.80 121.76 116.38 1j9r s ALA 288 Ca 0.27 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 51.16 1j9r s ALA 288 Cb 0.01 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1j9r s ALA 288 CO 0.11 0.18 0.12 0.20 0.00 0.00 0.00 175.76 176.37 1j9r s GLY 289 N -1.91 1.96 -0.07 0.00 0.00 0.93 -3.34 107.32 104.89 1j9r s GLY 289 Ca 0.02 -1.78 -0.05 0.00 0.00 0.00 0.00 44.72 42.90 1j9r s GLY 289 CO 0.03 -1.62 0.18 0.00 0.00 0.00 0.00 173.10 171.68 1j9r s ALA 290 N -3.62 -0.41 -0.02 3.20 0.00 -1.02 -1.06 121.76 118.82 1j9r s ALA 290 Ca 0.36 0.58 0.06 0.00 0.00 0.00 0.00 51.96 52.96 1j9r s ALA 290 Cb 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1j9r s ALA 290 CO 0.15 -0.11 -0.22 0.00 0.00 0.00 0.00 175.76 175.59 1j9r s ALA 291 N 0.40 1.82 -0.19 0.00 0.00 -0.66 -1.09 121.76 122.05 1j9r s ALA 291 Ca -0.03 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 50.98 1j9r s ALA 291 Cb -0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 1j9r s ALA 291 CO -0.02 0.43 -0.09 0.12 0.00 0.00 0.00 175.76 176.20 1j9r s PHE 292 N -0.44 2.89 -0.01 0.00 2.19 0.73 0.06 117.98 123.41 1j9r s PHE 292 Ca 0.07 -0.96 -0.01 0.00 0.33 0.00 0.00 56.93 56.36 1j9r s PHE 292 Cb -0.09 -2.00 0.00 0.00 -1.31 0.00 0.00 43.02 39.62 1j9r s PHE 292 CO -0.00 -0.48 0.02 -0.47 1.83 0.00 0.00 175.22 176.11 1j9r s TYR 293 N 1.10 -0.01 -0.38 10.12 5.04 -0.12 -1.56 117.35 131.54 1j9r s TYR 293 Ca 0.01 0.02 -0.07 0.00 -2.44 0.00 0.00 57.07 54.58 1j9r s TYR 293 Cb -0.15 -0.00 0.06 0.00 0.35 0.00 0.00 41.96 42.23 1j9r s TYR 293 CO -0.02 -0.02 0.19 0.99 -1.34 0.00 0.00 175.55 175.35 1j9r s THR 294 N -0.06 3.94 0.31 4.34 2.01 -1.26 -0.25 115.64 124.68 1j9r s THR 294 Ca -0.01 -1.35 -0.29 0.00 0.31 0.00 0.00 61.69 60.35 1j9r s THR 294 Cb -0.01 -3.36 -0.12 0.00 0.01 0.00 0.00 72.50 69.02 1j9r s THR 294 CO -0.00 -0.38 1.44 0.49 -0.69 0.00 0.00 174.62 175.48 1j9r n PHE 295 N 4.84 2.57 0.00 4.92 3.01 -0.94 -4.81 117.46 127.05 1j9r n PHE 295 Ca -0.10 0.42 0.00 0.00 1.01 0.00 0.00 57.45 58.78 1j9r n PHE 295 Cb 0.43 -2.50 0.00 0.00 -0.01 0.00 0.00 39.48 37.40 1j9r n PHE 295 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1j9r n GLN 296 N 1.28 5.66 -4.27 -1.08 1.13 -1.26 0.54 117.38 119.38 1j9r n GLN 296 Ca 0.06 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 54.95 1j9r n GLN 296 Cb 0.36 -0.52 -0.13 0.00 0.11 0.00 0.00 30.24 30.06 1j9r n GLN 296 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1j9r s GLN 297 N -1.02 0.73 0.82 -1.09 -1.52 -1.26 -4.59 119.66 111.73 1j9r s GLN 297 Ca 0.00 -0.57 -0.11 0.00 -1.95 0.00 0.00 55.36 52.73 1j9r s GLN 297 Cb 0.00 -0.67 0.12 0.00 -0.22 0.00 0.00 33.01 32.24 1j9r s GLN 297 CO 0.00 0.17 1.17 -1.25 -0.25 0.00 0.00 175.29 175.12 1j9r s PRO 298 N -0.87 1.54 0.00 2.91 0.04 -1.26 -4.75 135.00 132.61 1j9r s PRO 298 Ca -0.00 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.74 1j9r s PRO 298 Cb -0.06 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1j9r s PRO 298 CO 0.00 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 175.69 1j9r n GLY 299 N -3.32 1.78 3.71 0.56 0.00 0.16 -4.93 105.19 103.15 1j9r n GLY 299 Ca 0.11 -2.18 -0.39 0.00 0.00 0.00 0.00 46.02 43.56 1j9r n GLY 299 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1j9r s ILE 300 N -1.63 5.09 0.10 -0.61 2.07 -1.26 -1.21 121.20 123.75 1j9r s ILE 300 Ca 0.00 1.27 0.08 0.00 -1.41 0.00 0.00 60.65 60.59 1j9r s ILE 300 Cb 0.00 -3.96 -0.04 0.00 0.13 0.00 0.00 42.46 38.59 1j9r s ILE 300 CO 0.00 0.27 -0.15 -0.31 -1.91 0.00 0.00 174.94 172.83 1j9r s TYR 301 N 0.82 2.61 -0.02 3.50 1.51 0.11 -4.95 117.35 120.93 1j9r s TYR 301 Ca 0.33 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 56.17 1j9r s TYR 301 Cb -0.17 -1.39 -0.04 0.00 -0.11 0.00 0.00 41.96 40.26 1j9r s TYR 301 CO 0.15 0.39 0.02 0.00 -1.11 0.00 0.00 175.55 175.00 1j9r s ALA 302 N -1.14 3.35 -0.18 3.71 0.00 -1.24 -0.24 121.76 126.03 1j9r s ALA 302 Ca 0.19 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1j9r s ALA 302 Cb -0.11 -1.42 0.03 0.00 0.00 0.00 0.00 23.12 21.62 1j9r s ALA 302 CO 0.11 0.65 -0.13 -0.47 0.00 0.00 0.00 175.76 175.92 1j9r s TYR 303 N -1.08 2.36 0.19 0.00 5.04 0.25 0.67 117.35 124.78 1j9r s TYR 303 Ca 0.19 -1.45 -0.01 0.00 -2.44 0.00 0.00 57.07 53.37 1j9r s TYR 303 Cb -0.12 -1.65 -0.04 0.00 0.35 0.00 0.00 41.96 40.50 1j9r s TYR 303 CO 0.10 -0.72 0.10 0.14 -1.34 0.00 0.00 175.55 173.83 1j9r s VAL 304 N 1.42 0.12 -0.32 3.14 -7.23 -0.22 -0.31 120.40 116.99 1j9r s VAL 304 Ca 0.02 -1.97 -0.23 0.00 -1.81 0.00 0.00 61.98 57.98 1j9r s VAL 304 Cb -0.14 -2.37 0.00 0.00 0.56 0.00 0.00 36.38 34.42 1j9r s VAL 304 CO -0.10 -0.15 0.78 0.21 -0.31 0.00 0.00 175.10 175.54 1j9r s ASN 305 N -3.15 6.64 0.00 4.85 3.84 -1.15 -0.54 114.94 125.43 1j9r s ASN 305 Ca 0.34 0.60 0.00 0.00 0.21 0.00 0.00 52.86 54.01 1j9r s ASN 305 Cb 0.07 -2.40 0.00 0.00 -0.55 0.00 0.00 41.25 38.37 1j9r s ASN 305 CO 0.09 -0.63 0.47 1.57 -2.79 0.00 0.00 177.10 175.81 1j9r n HIS 306 N 6.23 0.00 -3.22 0.43 -0.00 0.14 -3.95 115.22 114.86 1j9r n HIS 306 Ca 0.03 -0.15 -0.45 0.00 -0.00 0.00 0.00 57.72 57.15 1j9r n HIS 306 Cb 0.48 -0.13 -0.05 0.00 -0.00 0.00 0.00 29.99 30.30 1j9r n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1j9r s ASN 307 N 0.28 6.24 0.64 0.26 3.84 -1.26 -4.92 114.94 120.01 1j9r s ASN 307 Ca 0.00 -1.71 0.28 0.00 0.21 0.00 0.00 52.86 51.64 1j9r s ASN 307 Cb 0.00 -2.25 1.51 0.00 -0.55 0.00 0.00 41.25 39.96 1j9r s ASN 307 CO 0.00 -0.95 1.88 -0.07 -2.79 0.00 0.00 177.10 175.17 1j9r h LEU 308 N 9.30 0.00 -0.06 3.21 3.38 -1.99 0.16 115.31 129.30 1j9r h LEU 308 Ca -0.26 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1j9r h LEU 308 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1j9r h LEU 308 CO 1.05 0.00 -0.17 0.40 0.09 0.00 0.00 178.44 179.80 1j9r h ILE 309 N 0.00 1.43 -0.98 1.22 2.04 -1.91 -0.00 117.51 119.32 1j9r h ILE 309 Ca 0.08 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.39 1j9r h ILE 309 Cb 0.90 2.30 -0.05 0.00 -0.74 0.00 0.00 36.82 39.23 1j9r h ILE 309 CO -0.00 0.43 0.62 -0.33 0.00 0.00 0.00 178.15 178.87 1j9r h GLU 310 N -0.29 1.31 0.08 2.37 5.08 -1.06 0.11 114.58 122.18 1j9r h GLU 310 Ca -0.00 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1j9r h GLU 310 Cb 0.79 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1j9r h GLU 310 CO 0.04 0.89 -0.04 0.00 -1.00 0.00 0.00 179.01 178.90 1j9r h ALA 311 N 1.34 -0.11 0.00 3.43 0.00 -1.19 -1.65 119.26 121.09 1j9r h ALA 311 Ca 0.35 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1j9r h ALA 311 Cb -0.11 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1j9r h ALA 311 CO -0.07 -0.27 -0.86 1.19 0.00 0.00 0.00 179.25 179.23 1j9r n PHE 312 N -4.88 0.00 -0.07 0.00 3.01 -0.02 -2.38 117.46 113.12 1j9r n PHE 312 Ca -0.08 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.28 1j9r n PHE 312 Cb 0.28 -0.08 -0.06 0.00 -0.01 0.00 0.00 39.48 39.60 1j9r n PHE 312 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1j9r n GLU 313 N -1.51 0.33 0.05 -1.08 -0.58 0.29 -4.72 120.64 113.41 1j9r n GLU 313 Ca 0.04 0.09 0.12 0.00 -0.42 0.00 0.00 57.16 56.99 1j9r n GLU 313 Cb 0.34 -1.23 0.12 0.00 -0.57 0.00 0.00 31.44 30.10 1j9r n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1j9r n LEU 314 N -3.00 0.66 0.00 -4.62 4.32 -0.56 -5.00 117.00 108.80 1j9r n LEU 314 Ca -0.24 0.14 0.00 0.00 -0.02 0.00 0.00 56.01 55.88 1j9r n LEU 314 Cb 0.74 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 42.39 1j9r n LEU 314 CO 0.12 -0.02 0.00 0.61 -1.22 0.00 0.00 177.39 176.88 1j9r n GLY 315 N 1.35 0.83 2.46 -0.72 0.00 -0.90 -1.48 105.19 106.74 1j9r n GLY 315 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1j9r n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9r n ALA 316 N -0.76 6.81 -3.34 4.61 0.00 0.15 -4.29 120.51 123.69 1j9r n ALA 316 Ca 0.00 -3.59 -0.14 0.00 0.00 0.00 0.00 53.44 49.72 1j9r n ALA 316 Cb 0.00 -3.42 -0.15 0.00 0.00 0.00 0.00 19.45 15.88 1j9r n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j9r s ALA 317 N 2.57 0.04 0.17 0.00 0.00 -1.24 -2.93 121.76 120.36 1j9r s ALA 317 Ca 0.62 0.16 0.04 0.00 0.00 0.00 0.00 51.96 52.78 1j9r s ALA 317 Cb 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.11 1j9r s ALA 317 CO -0.07 -0.06 -0.08 0.00 0.00 0.00 0.00 175.76 175.56 1j9r s ALA 318 N 0.57 1.55 0.09 0.00 0.00 0.57 -4.52 121.76 120.03 1j9r s ALA 318 Ca -0.05 -1.56 0.09 0.00 0.00 0.00 0.00 51.96 50.44 1j9r s ALA 318 Cb -0.07 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1j9r s ALA 318 CO -0.02 -0.13 -0.23 -1.01 0.00 0.00 0.00 175.76 174.38 1j9r s HIS 319 N -3.34 1.96 -0.13 0.00 3.76 -0.47 0.86 115.29 117.94 1j9r s HIS 319 Ca 0.20 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.73 1j9r s HIS 319 Cb 0.03 -1.10 0.01 0.00 1.11 0.00 0.00 32.58 32.64 1j9r s HIS 319 CO 0.03 0.21 -0.19 -0.06 -0.85 0.00 0.00 174.74 173.87 1j9r s PHE 320 N -1.04 2.38 -0.32 1.40 0.08 0.67 -1.10 117.98 120.05 1j9r s PHE 320 Ca 0.09 -1.17 -0.10 0.00 0.12 0.00 0.00 56.93 55.86 1j9r s PHE 320 Cb -0.10 -1.65 -0.01 0.00 -0.57 0.00 0.00 43.02 40.69 1j9r s PHE 320 CO 0.04 -0.56 0.17 0.15 -0.10 0.00 0.00 175.22 174.92 1j9r s LYS 321 N 0.90 3.31 -0.16 0.44 1.02 0.87 0.09 119.74 126.20 1j9r s LYS 321 Ca -0.07 -0.74 -0.01 0.00 0.02 0.00 0.00 55.97 55.17 1j9r s LYS 321 Cb -0.15 -3.63 -0.01 0.00 -0.52 0.00 0.00 37.83 33.52 1j9r s LYS 321 CO -0.02 -0.45 -0.11 0.08 -0.92 0.00 0.00 175.35 173.93 1j9r s VAL 322 N 1.63 3.02 0.53 3.17 1.01 -0.35 -2.22 120.40 127.18 1j9r s VAL 322 Ca 0.05 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1j9r s VAL 322 Cb -0.17 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 33.93 1j9r s VAL 322 CO 0.07 0.49 0.74 0.42 0.00 0.00 0.00 175.10 176.83 1j9r s THR 323 N 0.82 2.84 -2.01 3.92 -4.23 -0.88 0.36 115.64 116.44 1j9r s THR 323 Ca -0.04 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.79 1j9r s THR 323 Cb -0.15 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.64 1j9r s THR 323 CO 0.01 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1j9r n GLY 324 N -2.27 0.82 3.87 3.99 0.00 -1.26 -1.49 105.19 108.85 1j9r n GLY 324 Ca 0.07 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.57 1j9r n GLY 324 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1j9r s GLU 325 N -0.94 3.63 0.37 1.61 -1.05 -1.26 -4.68 118.70 116.37 1j9r s GLU 325 Ca 0.00 0.01 -0.26 0.00 -0.15 0.00 0.00 54.97 54.57 1j9r s GLU 325 Cb 0.00 -3.11 -0.09 0.00 -0.44 0.00 0.00 34.13 30.49 1j9r s GLU 325 CO 0.00 0.67 1.18 -0.46 0.95 0.00 0.00 175.26 177.60 1j9r s TRP 326 N -1.23 3.14 -0.47 4.83 -0.11 -1.26 -4.36 118.94 119.48 1j9r s TRP 326 Ca 0.25 1.55 -0.10 0.00 1.22 0.00 0.00 56.10 59.03 1j9r s TRP 326 Cb -0.14 -3.42 0.12 0.00 -1.50 0.00 0.00 33.47 28.53 1j9r s TRP 326 CO 0.14 -1.29 0.35 1.21 -4.62 0.00 0.00 176.95 172.74 1j9r s ASN 327 N -0.99 5.73 0.23 5.86 3.84 -1.26 -4.95 114.94 123.39 1j9r s ASN 327 Ca 0.54 -1.89 0.23 0.00 0.21 0.00 0.00 52.86 51.95 1j9r s ASN 327 Cb -0.32 -2.02 0.94 0.00 -0.55 0.00 0.00 41.25 39.30 1j9r s ASN 327 CO 0.41 -0.70 1.70 0.47 -2.79 0.00 0.00 177.10 176.19 1j9r n ASP 328 N 4.93 0.62 -0.02 -4.21 9.92 -1.26 -2.42 116.55 124.11 1j9r n ASP 328 Ca -0.08 0.65 -0.17 0.00 -0.53 0.00 0.00 54.79 54.65 1j9r n ASP 328 Cb 0.41 -0.78 -0.08 0.00 -0.64 0.00 0.00 41.12 40.03 1j9r n ASP 328 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1j9r h ASP 329 N 0.00 0.81 0.12 -2.24 -0.00 -2.01 -3.29 116.42 109.80 1j9r h ASP 329 Ca 0.00 -0.64 -0.23 0.00 -0.00 0.00 0.00 57.03 56.15 1j9r h ASP 329 Cb 0.38 -0.24 0.01 0.00 -0.00 0.00 0.00 39.33 39.48 1j9r h ASP 329 CO 0.00 1.33 -0.91 -0.07 -0.00 0.00 0.00 179.24 179.59 1j9r h LEU 330 N 0.35 0.73 -7.05 2.28 3.38 -1.96 -3.46 115.31 109.59 1j9r h LEU 330 Ca -0.05 -0.55 -0.04 0.00 0.09 0.00 0.00 57.88 57.33 1j9r h LEU 330 Cb 1.32 -0.22 -0.22 0.00 0.09 0.00 0.00 40.66 41.63 1j9r h LEU 330 CO 0.14 1.34 0.03 -0.32 0.09 0.00 0.00 178.44 179.72 1j9r s MET 331 N -3.44 0.73 -0.06 1.13 0.00 -1.02 -5.15 119.30 111.50 1j9r s MET 331 Ca -0.08 1.00 -0.24 0.00 0.00 0.00 0.00 55.69 56.38 1j9r s MET 331 Cb 0.08 0.29 0.05 0.00 0.00 0.00 0.00 34.83 35.25 1j9r s MET 331 CO 0.89 -0.11 0.53 -0.08 0.00 0.00 0.00 175.02 176.25 1j9r s THR 332 N 0.79 0.02 -0.69 10.11 -1.32 -1.26 -3.98 115.64 119.32 1j9r s THR 332 Ca -0.03 -0.17 -0.19 0.00 -1.21 0.00 0.00 61.69 60.09 1j9r s THR 332 Cb -0.05 -0.83 0.11 0.00 -1.51 0.00 0.00 72.50 70.22 1j9r s THR 332 CO -0.06 -0.09 0.84 -0.55 -2.21 0.00 0.00 174.62 172.55 1j9r s SER 333 N -1.01 6.32 0.21 8.08 0.15 -1.26 -4.89 113.70 121.30 1j9r s SER 333 Ca -0.10 -1.59 -0.10 0.00 0.70 0.00 0.00 55.95 54.86 1j9r s SER 333 Cb -0.02 -2.33 0.16 0.00 -1.71 0.00 0.00 66.02 62.12 1j9r s SER 333 CO 0.07 -1.12 1.88 0.58 1.20 0.00 0.00 173.24 175.85 1j9r h VAL 334 N 5.81 1.19 -3.17 4.45 2.07 -2.01 -3.39 116.25 121.20 1j9r h VAL 334 Ca -0.17 -0.35 -0.49 0.00 0.82 0.00 0.00 66.70 66.50 1j9r h VAL 334 Cb 1.07 0.07 -0.40 0.00 -1.52 0.00 0.00 31.29 30.51 1j9r h VAL 334 CO 1.09 0.19 -0.76 -0.22 0.02 0.00 0.00 177.57 177.88 1j9r s LEU 335 N -10.14 0.83 0.63 2.57 2.96 -1.26 -5.14 118.68 109.13 1j9r s LEU 335 Ca -0.13 -0.75 -0.17 0.00 -0.22 0.00 0.00 54.13 52.86 1j9r s LEU 335 Cb 0.15 -0.44 -0.02 0.00 0.50 0.00 0.00 46.19 46.38 1j9r s LEU 335 CO 0.78 -0.33 1.18 0.00 -1.32 0.00 0.00 176.35 176.66 1j9r s ALA 336 N 1.98 2.46 -0.30 5.97 0.00 -1.26 -4.85 121.76 125.76 1j9r s ALA 336 Ca 0.01 0.87 -0.44 0.00 0.00 0.00 0.00 51.96 52.39 1j9r s ALA 336 Cb -0.17 -3.42 -0.20 0.00 0.00 0.00 0.00 23.12 19.34 1j9r s ALA 336 CO -0.09 -1.29 1.40 -2.30 0.00 0.00 0.00 175.76 173.48 1j9r n PRO 337 N -1.96 0.04 -3.82 0.00 -0.02 -1.26 -4.91 135.00 123.07 1j9r n PRO 337 Ca 0.13 0.01 -0.06 0.00 -2.02 0.00 0.00 63.50 61.56 1j9r n PRO 337 Cb 0.50 -1.52 -0.02 0.00 -0.02 0.00 0.00 33.50 32.45 1j9r n PRO 337 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1j9r s SER 338 N 1.82 -0.22 0.00 2.55 1.04 -1.26 -5.29 113.70 112.34 1j9r s SER 338 Ca 0.99 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 56.86 1j9r s SER 338 Cb -1.40 0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.37 1j9r s SER 338 CO 0.72 -1.21 0.19 0.61 0.98 0.00 0.00 173.24 174.53