#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 3.53 0.49 0.00 -4.23 -1.26 -4.89 115.64 109.28 1j9r s THR 5 Ca 0.00 0.09 0.15 0.00 -1.18 0.00 0.00 61.69 60.75 1j9r s THR 5 Cb 0.00 -3.43 0.29 0.00 1.34 0.00 0.00 72.50 70.70 1j9r s THR 5 CO 0.00 -0.47 2.09 0.00 -0.54 0.00 0.00 174.62 175.70 1j9r h ALA 6 N -0.31 2.00 -0.21 3.99 0.00 -2.05 -1.22 119.26 121.46 1j9r h ALA 6 Ca -0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 1j9r h ALA 6 Cb 1.26 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1j9r h ALA 6 CO 0.61 -0.04 -0.24 0.00 0.00 0.00 0.00 179.25 179.59 1j9r h ALA 7 N 1.88 0.32 -0.40 0.00 0.00 -1.98 -0.98 119.26 118.09 1j9r h ALA 7 Ca 0.10 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1j9r h ALA 7 Cb 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1j9r h ALA 7 CO -0.02 0.29 -0.06 0.93 0.00 0.00 0.00 179.25 180.39 1j9r h GLU 8 N 0.22 0.67 -0.11 0.00 5.08 -1.73 -2.16 114.58 116.55 1j9r h GLU 8 Ca 0.03 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1j9r h GLU 8 Cb 0.80 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 1j9r h GLU 8 CO 0.06 0.73 -0.12 0.82 -1.00 0.00 0.00 179.01 179.50 1j9r h ILE 9 N 0.63 1.36 0.00 3.13 2.04 -1.21 -2.87 117.51 120.58 1j9r h ILE 9 Ca 0.12 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.70 1j9r h ILE 9 Cb 0.48 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1j9r h ILE 9 CO 0.02 0.37 0.00 0.00 0.00 0.00 0.00 178.15 178.54 1j9r h ALA 10 N 0.59 1.00 0.00 1.87 0.00 -1.02 -0.55 119.26 121.14 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 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1j9r h ALA 10 CO 0.03 0.00 -0.71 0.00 0.00 0.00 0.00 179.25 178.57 1j9r n ALA 11 N -1.90 3.07 -1.77 0.00 0.00 -0.83 -4.93 120.51 114.14 1j9r n ALA 11 Ca -0.01 -0.29 -0.36 0.00 0.00 0.00 0.00 53.44 52.78 1j9r n ALA 11 Cb 0.10 -1.12 -0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -4.08 3.86 0.67 0.00 1.43 -0.22 -5.00 118.68 115.34 1j9r s LEU 12 Ca 0.06 2.23 -0.16 0.00 -1.03 0.00 0.00 54.13 55.23 1j9r s LEU 12 Cb 0.14 -4.44 0.00 0.00 0.03 0.00 0.00 46.19 41.92 1j9r s LEU 12 CO 0.74 -1.09 1.15 -2.16 0.23 0.00 0.00 176.35 175.22 1j9r s PRO 13 N -3.04 2.64 -0.02 1.29 0.04 -1.26 -4.77 135.00 129.88 1j9r s PRO 13 Ca 0.69 1.57 0.05 0.00 0.04 0.00 0.00 61.00 63.35 1j9r s PRO 13 Cb -0.26 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1j9r s PRO 13 CO 0.30 -1.41 -0.17 1.03 0.04 0.00 0.00 177.00 176.79 1j9r s ARG 14 N -3.90 1.47 -0.08 4.56 0.52 -1.26 -1.09 118.95 119.17 1j9r s ARG 14 Ca 0.71 -0.61 0.00 0.00 -0.52 0.00 0.00 55.73 55.32 1j9r s ARG 14 Cb -0.24 -1.38 0.02 0.00 0.52 0.00 0.00 34.95 33.86 1j9r s ARG 14 CO 0.41 0.33 -0.07 1.14 0.02 0.00 0.00 175.30 177.13 1j9r s GLN 15 N -0.29 1.33 -0.15 3.54 -2.07 -1.04 -4.97 119.66 116.02 1j9r s GLN 15 Ca 0.04 -0.22 -0.24 0.00 -1.82 0.00 0.00 55.36 53.11 1j9r s GLN 15 Cb -0.08 -1.34 -0.02 0.00 -1.09 0.00 0.00 33.01 30.48 1j9r s GLN 15 CO 0.00 -0.17 0.79 0.21 -1.32 0.00 0.00 175.29 174.80 1j9r s LYS 16 N 1.36 4.31 -0.07 9.60 2.47 -1.26 -1.18 119.74 134.98 1j9r s LYS 16 Ca -0.02 0.95 -0.00 0.00 -1.56 0.00 0.00 55.97 55.33 1j9r s LYS 16 Cb -0.14 -3.55 -0.03 0.00 -1.46 0.00 0.00 37.83 32.65 1j9r s LYS 16 CO -0.04 -0.25 -0.03 0.08 0.16 0.00 0.00 175.35 175.28 1j9r s VAL 17 N 1.89 4.04 -0.30 4.02 1.01 -0.40 -4.96 120.40 125.70 1j9r s VAL 17 Ca 0.37 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 1j9r s VAL 17 Cb -0.17 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1j9r s VAL 17 CO 0.13 0.57 0.23 -1.61 0.00 0.00 0.00 175.10 174.42 1j9r s GLU 18 N -0.95 3.79 0.55 2.72 8.01 -1.26 -4.65 118.70 126.90 1j9r s GLU 18 Ca 0.14 -0.40 -0.19 0.00 0.01 0.00 0.00 54.97 54.53 1j9r s GLU 18 Cb -0.11 -3.71 -0.06 0.00 -4.31 0.00 0.00 34.13 25.94 1j9r s GLU 18 CO 0.03 -0.29 1.08 -0.51 0.01 0.00 0.00 175.26 175.58 1j9r s LEU 19 N 1.79 3.70 0.17 1.80 1.43 -1.26 -4.77 118.68 121.54 1j9r s LEU 19 Ca 0.08 2.01 0.10 0.00 -1.03 0.00 0.00 54.13 55.29 1j9r s LEU 19 Cb -0.16 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.45 1j9r s LEU 19 CO 0.11 -1.11 -0.23 0.68 0.23 0.00 0.00 176.35 176.04 1j9r s VAL 20 N -2.03 2.18 0.38 -1.59 -7.23 -1.26 -4.99 120.40 105.86 1j9r s VAL 20 Ca 0.69 -1.95 -0.26 0.00 -1.81 0.00 0.00 61.98 58.65 1j9r s VAL 20 Cb -0.19 -2.01 -0.09 0.00 0.56 0.00 0.00 36.38 34.65 1j9r s VAL 20 CO 0.28 -0.14 1.14 -1.81 -0.31 0.00 0.00 175.10 174.26 1j9r s ASP 21 N -2.56 6.67 0.75 4.85 -0.00 -1.26 -4.58 116.67 120.54 1j9r s ASP 21 Ca 0.18 2.28 -0.14 0.00 -0.00 0.00 0.00 52.55 54.87 1j9r s ASP 21 Cb -0.08 -2.61 0.05 0.00 -0.00 0.00 0.00 42.92 40.28 1j9r s ASP 21 CO 0.08 -0.57 1.19 -2.84 -0.00 0.00 0.00 175.17 173.04 1j9r s PRO 22 N -2.21 2.04 0.00 8.23 0.02 -1.26 -1.97 135.00 139.84 1j9r s PRO 22 Ca 0.55 1.69 0.24 0.00 0.02 0.00 0.00 61.00 63.50 1j9r s PRO 22 Cb -0.29 -1.83 1.41 0.00 0.02 0.00 0.00 34.50 33.81 1j9r s PRO 22 CO 0.37 -1.90 1.86 -0.35 -0.33 0.00 0.00 177.00 176.66 1j9r n PRO 23 N -2.92 0.93 -1.76 5.54 -0.04 -1.26 -5.05 135.00 130.43 1j9r n PRO 23 Ca 0.13 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.28 1j9r n PRO 23 Cb 0.51 -1.40 0.03 0.00 -0.04 0.00 0.00 33.50 32.60 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 3.40 -0.02 0.54 0.40 -0.83 -0.93 117.98 118.54 1j9r s PHE 24 Ca 0.35 1.31 0.05 0.00 -0.60 0.00 0.00 56.93 58.05 1j9r s PHE 24 Cb 0.16 -2.82 -0.01 0.00 0.51 0.00 0.00 43.02 40.86 1j9r s PHE 24 CO 0.27 -0.95 -0.18 0.08 0.70 0.00 0.00 175.22 175.14 1j9r s VAL 25 N -3.15 1.44 0.75 -0.44 1.01 -1.26 -4.62 120.40 114.13 1j9r s VAL 25 Ca 0.56 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 1j9r s VAL 25 Cb -0.12 -1.20 0.05 0.00 0.00 0.00 0.00 36.38 35.11 1j9r s VAL 25 CO 0.54 0.41 1.23 -1.38 0.00 0.00 0.00 175.10 175.90 1j9r s HIS 26 N -0.36 1.90 0.32 5.22 -3.43 -1.26 -4.90 115.29 112.78 1j9r s HIS 26 Ca 0.05 1.61 -0.28 0.00 -0.80 0.00 0.00 55.06 55.64 1j9r s HIS 26 Cb -0.08 -3.55 -0.13 0.00 -1.43 0.00 0.00 32.58 27.40 1j9r s HIS 26 CO -0.00 -2.87 1.27 0.00 -2.00 0.00 0.00 174.74 171.14 1j9r n ALA 27 N -2.84 1.11 -3.82 -1.38 0.00 -1.26 -4.98 120.51 107.35 1j9r n ALA 27 Ca 0.14 0.37 -0.06 0.00 0.00 0.00 0.00 53.44 53.89 1j9r n ALA 27 Cb 0.50 -2.23 -0.02 0.00 0.00 0.00 0.00 19.45 17.70 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 -0.96 -0.18 -0.17 0.00 -3.43 -1.26 -5.05 115.29 104.24 1j9r s HIS 28 Ca 0.57 -0.23 -0.04 0.00 -0.80 0.00 0.00 55.06 54.56 1j9r s HIS 28 Cb -0.59 0.69 -0.02 0.00 -1.43 0.00 0.00 32.58 31.22 1j9r s HIS 28 CO 0.60 -1.12 -0.03 0.45 -2.00 0.00 0.00 174.74 172.64 1j9r s SER 29 N -2.92 4.70 0.14 7.38 0.15 -1.26 -5.00 113.70 116.89 1j9r s SER 29 Ca 0.11 -0.19 -0.16 0.00 0.70 0.00 0.00 55.95 56.41 1j9r s SER 29 Cb -0.05 -1.78 -0.00 0.00 -1.71 0.00 0.00 66.02 62.48 1j9r s SER 29 CO 0.05 0.12 1.70 1.56 1.20 0.00 0.00 173.24 177.88 1j9r h GLN 30 N 7.03 0.58 -5.83 5.44 4.20 -1.98 -3.40 115.11 121.16 1j9r h GLN 30 Ca -0.33 -0.09 -0.57 0.00 0.06 0.00 0.00 58.65 57.72 1j9r h GLN 30 Cb 1.19 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.79 1j9r h GLN 30 CO 0.61 0.53 -0.09 0.08 -0.67 0.00 0.00 178.83 179.29 1j9r s VAL 31 N -5.65 5.13 0.33 -0.54 1.01 -1.26 -3.55 120.40 115.88 1j9r s VAL 31 Ca -0.13 1.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.63 1j9r s VAL 31 Cb 0.10 -3.86 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 1j9r s VAL 31 CO 0.75 0.33 1.41 0.00 0.00 0.00 0.00 175.10 177.59 1j9r n ALA 32 N 3.54 1.82 -2.58 5.51 0.00 0.42 -4.96 120.51 124.26 1j9r n ALA 32 Ca -0.06 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.33 1j9r n ALA 32 Cb 0.52 -2.34 -0.07 0.00 0.00 0.00 0.00 19.45 17.56 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 -1.56 3.78 3.09 0.00 0.41 -1.26 -4.95 118.70 118.21 1j9r s GLU 33 Ca 0.58 0.13 0.00 0.00 -0.41 0.00 0.00 54.97 55.27 1j9r s GLU 33 Cb -0.54 -3.77 0.00 0.00 -1.78 0.00 0.00 34.13 28.04 1j9r s GLU 33 CO 0.59 -0.64 0.00 0.41 -0.49 0.00 0.00 175.26 175.13 1j9r n GLY 34 N 4.58 0.95 0.24 -1.39 0.00 -1.26 -4.87 105.19 103.45 1j9r n GLY 34 Ca -0.02 -0.77 -0.02 0.00 0.00 0.00 0.00 46.02 45.21 1j9r n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9r n GLY 35 N 0.00 -0.37 3.67 -0.02 0.00 -1.26 -5.00 105.19 102.20 1j9r n GLY 35 Ca 0.00 -1.79 -0.46 0.00 0.00 0.00 0.00 46.02 43.77 1j9r n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1j9r n PRO 36 N -1.15 2.04 -4.43 1.61 -0.02 -1.26 -5.01 135.00 126.78 1j9r n PRO 36 Ca 0.01 0.73 -0.21 0.00 -2.02 0.00 0.00 63.50 62.01 1j9r n PRO 36 Cb 0.04 -2.44 -0.10 0.00 -0.02 0.00 0.00 33.50 30.98 1j9r n PRO 36 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1j9r s LYS 37 N 0.21 1.56 -0.49 -0.52 1.02 -1.26 -4.43 119.74 115.83 1j9r s LYS 37 Ca 0.74 -1.82 -0.12 0.00 0.02 0.00 0.00 55.97 54.79 1j9r s LYS 37 Cb -0.68 -1.04 0.12 0.00 -0.52 0.00 0.00 37.83 35.71 1j9r s LYS 37 CO 0.44 -0.04 0.40 0.08 -0.92 0.00 0.00 175.35 175.32 1j9r s VAL 38 N -3.12 4.70 -0.22 3.17 1.01 -0.25 -0.43 120.40 125.26 1j9r s VAL 38 Ca 0.31 -1.57 -0.25 0.00 0.00 0.00 0.00 61.98 60.47 1j9r s VAL 38 Cb 0.05 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 1j9r s VAL 38 CO 0.13 -0.77 0.85 -0.69 0.00 0.00 0.00 175.10 174.61 1j9r s VAL 39 N 1.49 4.84 -0.19 2.92 1.01 0.76 -2.48 120.40 128.75 1j9r s VAL 39 Ca 0.04 1.63 -0.11 0.00 0.00 0.00 0.00 61.98 63.54 1j9r s VAL 39 Cb -0.27 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 1j9r s VAL 39 CO 0.02 -0.05 0.19 -1.61 0.00 0.00 0.00 175.10 173.65 1j9r s GLU 40 N 2.66 4.22 0.10 2.72 2.02 -0.32 -0.72 118.70 129.37 1j9r s GLU 40 Ca 0.37 -0.10 0.05 0.00 0.02 0.00 0.00 54.97 55.31 1j9r s GLU 40 Cb -0.16 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 30.62 1j9r s GLU 40 CO 0.09 0.28 -0.13 -0.06 0.02 0.00 0.00 175.26 175.45 1j9r s PHE 41 N 0.41 1.28 -0.03 1.61 0.40 -0.44 -1.27 117.98 119.93 1j9r s PHE 41 Ca 0.11 -0.54 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 1j9r s PHE 41 Cb -0.12 -0.69 0.02 0.00 0.51 0.00 0.00 43.02 42.74 1j9r s PHE 41 CO 0.00 0.09 -0.02 0.99 0.70 0.00 0.00 175.22 176.98 1j9r s THR 42 N -1.87 0.31 -0.02 0.64 2.01 -1.26 -0.62 115.64 114.82 1j9r s THR 42 Ca 0.04 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.01 1j9r s THR 42 Cb -0.06 -0.35 0.02 0.00 0.01 0.00 0.00 72.50 72.12 1j9r s THR 42 CO 0.02 0.15 0.00 -0.04 -0.69 0.00 0.00 174.62 174.07 1j9r s MET 43 N 0.68 0.21 -0.17 4.92 -1.94 -0.65 -4.90 119.30 117.45 1j9r s MET 43 Ca -0.07 0.08 -0.08 0.00 -1.71 0.00 0.00 55.69 53.90 1j9r s MET 43 Cb -0.11 -0.39 -0.04 0.00 2.01 0.00 0.00 34.83 36.30 1j9r s MET 43 CO -0.01 -0.12 0.11 0.08 -0.01 0.00 0.00 175.02 175.08 1j9r s VAL 44 N 0.89 5.26 -0.05 -6.03 1.01 -1.26 -1.41 120.40 118.80 1j9r s VAL 44 Ca -0.09 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.77 1j9r s VAL 44 Cb -0.12 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1j9r s VAL 44 CO -0.02 0.50 0.76 -0.63 0.00 0.00 0.00 175.10 175.72 1j9r s ILE 45 N -0.10 4.99 -0.15 2.22 1.01 0.87 -1.24 121.20 128.81 1j9r s ILE 45 Ca 0.09 1.59 0.00 0.00 0.00 0.00 0.00 60.65 62.33 1j9r s ILE 45 Cb -0.12 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.28 1j9r s ILE 45 CO 0.00 0.24 -0.11 -1.61 0.00 0.00 0.00 174.94 173.46 1j9r s GLU 46 N 0.79 2.02 -0.20 2.79 0.41 -0.38 -4.35 118.70 119.78 1j9r s GLU 46 Ca 0.41 -0.52 -0.22 0.00 -0.41 0.00 0.00 54.97 54.22 1j9r s GLU 46 Cb -0.19 -2.02 -0.02 0.00 -1.78 0.00 0.00 34.13 30.13 1j9r s GLU 46 CO 0.21 -0.28 0.71 -1.21 -0.49 0.00 0.00 175.26 174.19 1j9r s GLU 47 N 1.54 4.22 0.05 1.61 2.02 -1.26 -1.18 118.70 125.70 1j9r s GLU 47 Ca 0.04 0.76 -0.19 0.00 0.02 0.00 0.00 54.97 55.59 1j9r s GLU 47 Cb -0.13 -3.59 0.04 0.00 0.10 0.00 0.00 34.13 30.55 1j9r s GLU 47 CO -0.10 -0.31 0.44 -1.59 0.02 0.00 0.00 175.26 173.73 1j9r s LYS 48 N 2.12 0.95 -0.09 1.61 -2.85 -0.35 -5.00 119.74 116.14 1j9r s LYS 48 Ca 0.32 -0.34 -0.25 0.00 -1.00 0.00 0.00 55.97 54.70 1j9r s LYS 48 Cb -0.16 0.43 -0.03 0.00 -2.06 0.00 0.00 37.83 36.01 1j9r s LYS 48 CO 0.10 -0.33 0.78 0.15 0.10 0.00 0.00 175.35 176.15 1j9r s LYS 49 N -2.49 4.41 0.16 1.78 1.02 -1.26 -0.01 119.74 123.35 1j9r s LYS 49 Ca -0.05 1.00 0.09 0.00 0.02 0.00 0.00 55.97 57.02 1j9r s LYS 49 Cb -0.01 -3.49 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 1j9r s LYS 49 CO -0.02 -0.08 -0.19 0.96 -0.92 0.00 0.00 175.35 175.09 1j9r s ILE 50 N 1.28 1.85 -0.18 2.17 -4.36 0.39 -4.93 121.20 117.42 1j9r s ILE 50 Ca 0.40 -1.88 -0.08 0.00 -0.26 0.00 0.00 60.65 58.83 1j9r s ILE 50 Cb -0.18 -1.83 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 1j9r s ILE 50 CO 0.18 -0.26 0.09 -0.69 0.24 0.00 0.00 174.94 174.50 1j9r s VAL 51 N -1.90 5.07 -1.12 8.37 1.01 -1.26 -1.13 120.40 129.45 1j9r s VAL 51 Ca 0.15 0.07 0.10 0.00 0.00 0.00 0.00 61.98 62.30 1j9r s VAL 51 Cb -0.06 -3.28 0.17 0.00 0.00 0.00 0.00 36.38 33.20 1j9r s VAL 51 CO 0.07 0.48 1.01 2.30 0.00 0.00 0.00 175.10 178.95 1j9r n ILE 52 N 3.31 0.44 -3.82 2.22 -5.35 -0.35 -4.81 119.36 110.99 1j9r n ILE 52 Ca -0.17 -0.72 -0.08 0.00 -0.27 0.00 0.00 62.75 61.52 1j9r n ILE 52 Cb 0.52 0.90 -0.02 0.00 -1.74 0.00 0.00 39.64 39.31 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 -0.93 -0.28 0.59 7.28 3.84 -1.26 -1.16 116.67 124.76 1j9r s ASP 53 Ca 0.16 -0.57 0.35 0.00 -0.00 0.00 0.00 52.55 52.49 1j9r s ASP 53 Cb 0.10 0.70 1.83 0.00 -1.38 0.00 0.00 42.92 44.17 1j9r s ASP 53 CO 0.14 -1.28 2.19 0.44 -0.00 0.00 0.00 175.17 176.66 1j9r h ASP 54 N 2.03 0.00 1.46 2.11 5.19 -1.96 -1.89 116.42 123.36 1j9r h ASP 54 Ca -0.22 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1j9r h ASP 54 Cb 1.26 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.77 1j9r h ASP 54 CO 0.26 0.04 0.00 0.00 -3.12 0.00 0.00 179.24 176.42 1j9r h ALA 55 N 1.96 1.00 0.00 3.45 0.00 -2.02 -3.47 119.26 120.18 1j9r h ALA 55 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j9r h ALA 55 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1j9r h ALA 55 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1j9r n GLY 56 N 0.73 0.98 3.61 0.00 0.00 -0.71 -5.05 105.19 104.75 1j9r n GLY 56 Ca 0.03 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.78 0.46 -3.98 2.61 -1.04 -1.26 -4.80 114.28 104.50 1j9r n THR 57 Ca 0.00 -0.12 -0.32 0.00 -2.04 0.00 0.00 64.05 61.58 1j9r n THR 57 Cb 0.00 -1.07 -0.05 0.00 -1.82 0.00 0.00 70.33 67.39 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 0.11 3.23 -0.01 -2.82 2.02 -1.26 -1.21 118.70 118.76 1j9r s GLU 58 Ca 0.77 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 55.27 1j9r s GLU 58 Cb -0.82 -2.94 0.01 0.00 0.10 0.00 0.00 34.13 30.49 1j9r s GLU 58 CO 0.47 0.62 0.01 0.08 0.02 0.00 0.00 175.26 176.47 1j9r s VAL 59 N -1.38 -0.01 -0.99 2.63 1.01 -0.28 -4.95 120.40 116.42 1j9r s VAL 59 Ca 0.30 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.20 1j9r s VAL 59 Cb -0.13 -0.06 0.14 0.00 0.00 0.00 0.00 36.38 36.33 1j9r s VAL 59 CO 0.22 0.05 1.19 -1.00 0.00 0.00 0.00 175.10 175.56 1j9r s HIS 60 N 0.53 3.20 0.62 5.22 3.76 -1.26 -0.46 115.29 126.90 1j9r s HIS 60 Ca -0.05 -1.55 -0.15 0.00 -0.15 0.00 0.00 55.06 53.17 1j9r s HIS 60 Cb -0.07 -4.29 -0.03 0.00 1.11 0.00 0.00 32.58 29.31 1j9r s HIS 60 CO -0.01 -1.47 1.06 0.00 -0.85 0.00 0.00 174.74 173.47 1j9r s ALA 61 N 2.45 2.72 -0.41 -1.40 0.00 0.98 -4.85 121.76 121.26 1j9r s ALA 61 Ca 0.35 0.32 0.02 0.00 0.00 0.00 0.00 51.96 52.65 1j9r s ALA 61 Cb -0.04 -3.22 0.12 0.00 0.00 0.00 0.00 23.12 19.98 1j9r s ALA 61 CO -0.08 -0.91 0.17 -1.64 0.00 0.00 0.00 175.76 173.30 1j9r s MET 62 N -4.31 1.39 -0.16 0.00 -1.94 -0.78 -1.21 119.30 112.29 1j9r s MET 62 Ca 0.62 -1.94 -0.03 0.00 -1.71 0.00 0.00 55.69 52.63 1j9r s MET 62 Cb -0.15 -2.73 -0.02 0.00 2.01 0.00 0.00 34.83 33.94 1j9r s MET 62 CO 0.41 -1.06 -0.06 0.00 -0.01 0.00 0.00 175.02 174.30 1j9r s ALA 63 N 0.58 2.85 0.12 3.03 0.00 -0.33 -2.28 121.76 125.73 1j9r s ALA 63 Ca 0.14 -0.92 -0.31 0.00 0.00 0.00 0.00 51.96 50.88 1j9r s ALA 63 Cb -0.22 -1.49 -0.07 0.00 0.00 0.00 0.00 23.12 21.34 1j9r s ALA 63 CO -0.07 0.08 1.29 -0.06 0.00 0.00 0.00 175.76 177.00 1j9r s PHE 64 N 0.60 3.34 -1.43 0.00 0.08 -1.25 -1.25 117.98 118.07 1j9r s PHE 64 Ca -0.04 1.17 0.00 0.00 0.12 0.00 0.00 56.93 58.18 1j9r s PHE 64 Cb -0.15 -3.55 0.00 0.00 -0.57 0.00 0.00 43.02 38.75 1j9r s PHE 64 CO 0.03 -1.78 0.00 -1.71 -0.10 0.00 0.00 175.22 171.65 1j9r n ASN 65 N 3.58 -5.55 0.00 1.36 5.15 -0.37 -2.37 115.26 117.06 1j9r n ASN 65 Ca 0.09 0.33 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 1j9r n ASN 65 Cb 0.44 -4.30 0.00 0.00 -0.53 0.00 0.00 39.78 35.39 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 0.09 0.51 3.34 8.20 0.00 -0.94 -4.94 105.19 111.46 1j9r n GLY 66 Ca -0.13 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.18 1.59 -0.18 2.61 -4.23 -1.00 -4.94 115.64 107.30 1j9r s THR 67 Ca 0.00 -2.16 -0.01 0.00 -1.18 0.00 0.00 61.69 58.34 1j9r s THR 67 Cb 0.00 -2.11 0.05 0.00 1.34 0.00 0.00 72.50 71.78 1j9r s THR 67 CO 0.00 -0.55 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.80 1j9r s VAL 68 N -3.07 1.10 1.03 2.29 1.01 -1.26 -3.37 120.40 118.13 1j9r s VAL 68 Ca 0.23 -0.74 -0.15 0.00 0.00 0.00 0.00 61.98 61.32 1j9r s VAL 68 Cb 0.01 -1.35 0.20 0.00 0.00 0.00 0.00 36.38 35.24 1j9r s VAL 68 CO 0.07 0.02 1.14 -2.16 0.00 0.00 0.00 175.10 174.17 1j9r s PRO 69 N 1.62 0.19 0.84 2.72 0.04 -1.26 -2.00 135.00 137.14 1j9r s PRO 69 Ca -0.01 0.15 -0.11 0.00 0.04 0.00 0.00 61.00 61.07 1j9r s PRO 69 Cb -0.16 -1.74 0.09 0.00 0.04 0.00 0.00 34.50 32.73 1j9r s PRO 69 CO -0.07 -2.82 1.09 0.20 0.04 0.00 0.00 177.00 175.44 1j9r s GLY 70 N -3.95 1.64 0.75 0.56 0.00 0.29 -4.75 107.32 101.86 1j9r s GLY 70 Ca 0.68 0.07 -0.14 0.00 0.00 0.00 0.00 44.72 45.33 1j9r s GLY 70 CO 0.55 0.49 1.17 2.56 0.00 0.00 0.00 173.10 177.87 1j9r s PRO 71 N -4.93 2.12 -0.23 2.90 0.04 -1.26 -4.40 135.00 129.24 1j9r s PRO 71 Ca 0.62 1.59 -0.22 0.00 0.04 0.00 0.00 61.00 63.03 1j9r s PRO 71 Cb -0.17 -1.85 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1j9r s PRO 71 CO 0.56 -1.81 0.72 -1.17 0.04 0.00 0.00 177.00 175.34 1j9r s LEU 72 N -5.38 4.10 -0.16 -3.56 2.96 -1.26 -4.29 118.68 111.10 1j9r s LEU 72 Ca 0.70 0.90 -0.11 0.00 -0.22 0.00 0.00 54.13 55.40 1j9r s LEU 72 Cb -0.25 -3.01 -0.05 0.00 0.50 0.00 0.00 46.19 43.38 1j9r s LEU 72 CO 0.47 -0.40 0.22 -0.04 -1.32 0.00 0.00 176.35 175.28 1j9r s MET 73 N 2.42 4.07 -0.10 1.98 -1.94 -1.16 -4.51 119.30 120.07 1j9r s MET 73 Ca 0.31 -0.03 0.04 0.00 -1.71 0.00 0.00 55.69 54.29 1j9r s MET 73 Cb -0.16 -3.37 -0.00 0.00 2.01 0.00 0.00 34.83 33.31 1j9r s MET 73 CO 0.09 0.38 -0.23 0.08 -0.01 0.00 0.00 175.02 175.34 1j9r s VAL 74 N 0.07 2.20 0.31 -6.03 1.01 -1.26 0.02 120.40 116.73 1j9r s VAL 74 Ca 0.14 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1j9r s VAL 74 Cb -0.12 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1j9r s VAL 74 CO 0.02 0.56 0.29 0.68 0.00 0.00 0.00 175.10 176.66 1j9r s VAL 75 N 0.25 0.00 0.21 2.92 -7.23 -0.24 -4.98 120.40 111.33 1j9r s VAL 75 Ca -0.15 -1.93 0.09 0.00 -1.81 0.00 0.00 61.98 58.18 1j9r s VAL 75 Cb -0.17 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1j9r s VAL 75 CO 0.08 0.00 -0.09 -1.00 -0.31 0.00 0.00 175.10 173.78 1j9r s HIS 76 N -3.48 2.61 0.21 2.82 3.76 -1.26 -0.94 115.29 119.02 1j9r s HIS 76 Ca 0.39 -0.23 -0.32 0.00 -0.15 0.00 0.00 55.06 54.75 1j9r s HIS 76 Cb 0.02 -1.24 -0.15 0.00 1.11 0.00 0.00 32.58 32.33 1j9r s HIS 76 CO 0.24 0.55 1.26 0.94 -0.85 0.00 0.00 174.74 176.88 1j9r n GLN 77 N -0.19 1.56 -0.97 1.40 7.27 0.82 -1.19 117.38 126.08 1j9r n GLN 77 Ca -0.09 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.53 1j9r n GLN 77 Cb 0.56 -2.11 0.00 0.00 2.41 0.00 0.00 30.24 31.10 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 2.00 -2.23 -4.67 1.69 10.43 0.21 -4.71 116.55 119.27 1j9r n ASP 78 Ca 0.13 0.00 -0.27 0.00 2.57 0.00 0.00 54.79 57.22 1j9r n ASP 78 Cb 0.28 -0.82 0.11 0.00 1.84 0.00 0.00 41.12 42.53 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 -2.30 4.22 -0.05 -2.24 -0.00 -0.33 -4.67 116.67 111.29 1j9r s ASP 79 Ca 0.00 0.38 0.04 0.00 -0.00 0.00 0.00 52.55 52.98 1j9r s ASP 79 Cb 0.00 -0.80 -0.02 0.00 -0.00 0.00 0.00 42.92 42.10 1j9r s ASP 79 CO 0.00 -2.01 -0.17 -0.31 -0.00 0.00 0.00 175.17 172.68 1j9r s TYR 80 N -3.49 2.63 -0.29 4.23 1.51 0.43 -1.81 117.35 120.56 1j9r s TYR 80 Ca 0.65 -0.29 -0.08 0.00 -1.01 0.00 0.00 57.07 56.35 1j9r s TYR 80 Cb -0.08 -1.62 -0.00 0.00 -0.11 0.00 0.00 41.96 40.14 1j9r s TYR 80 CO 0.48 0.09 0.09 -1.17 -1.11 0.00 0.00 175.55 173.93 1j9r s LEU 81 N -0.58 3.79 -0.33 -1.29 0.20 -0.19 -0.17 118.68 120.11 1j9r s LEU 81 Ca 0.08 -0.53 -0.04 0.00 0.69 0.00 0.00 54.13 54.34 1j9r s LEU 81 Cb -0.11 -1.92 0.05 0.00 -0.43 0.00 0.00 46.19 43.78 1j9r s LEU 81 CO 0.01 -0.15 0.06 -0.70 -0.29 0.00 0.00 176.35 175.28 1j9r s GLU 82 N 1.56 2.48 -0.18 1.98 2.12 0.11 -1.97 118.70 124.79 1j9r s GLU 82 Ca 0.04 -1.28 -0.05 0.00 0.36 0.00 0.00 54.97 54.04 1j9r s GLU 82 Cb -0.17 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 1j9r s GLU 82 CO 0.04 -0.68 0.01 -1.17 -0.54 0.00 0.00 175.26 172.91 1j9r s LEU 83 N 1.31 3.43 -0.36 2.70 0.20 0.47 -1.33 118.68 125.10 1j9r s LEU 83 Ca -0.03 -0.09 -0.14 0.00 0.69 0.00 0.00 54.13 54.57 1j9r s LEU 83 Cb -0.20 -1.85 -0.00 0.00 -0.43 0.00 0.00 46.19 43.70 1j9r s LEU 83 CO 0.00 0.14 0.31 -0.89 -0.29 0.00 0.00 176.35 175.62 1j9r s THR 84 N 0.56 5.23 -0.18 3.68 2.01 0.21 -1.02 115.64 126.13 1j9r s THR 84 Ca -0.00 -0.23 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 1j9r s THR 84 Cb -0.14 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1j9r s THR 84 CO 0.02 -0.13 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.60 1j9r s LEU 85 N 1.85 3.35 -0.10 4.42 2.96 -0.01 -1.64 118.68 129.50 1j9r s LEU 85 Ca 0.08 -0.13 0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1j9r s LEU 85 Cb -0.17 -1.84 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1j9r s LEU 85 CO 0.11 0.12 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.43 1j9r s ILE 86 N 0.69 2.46 -0.47 6.68 1.01 -0.50 -1.84 121.20 129.22 1j9r s ILE 86 Ca -0.00 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.79 1j9r s ILE 86 Cb -0.14 -1.97 0.12 0.00 0.01 0.00 0.00 42.46 40.48 1j9r s ILE 86 CO 0.02 0.55 0.21 0.21 0.00 0.00 0.00 174.94 175.93 1j9r s ASN 87 N 0.18 4.55 0.38 3.58 2.47 -0.43 -0.09 114.94 125.59 1j9r s ASN 87 Ca -0.11 -2.71 -0.26 0.00 0.42 0.00 0.00 52.86 50.19 1j9r s ASN 87 Cb -0.16 -1.66 -0.11 0.00 -1.45 0.00 0.00 41.25 37.87 1j9r s ASN 87 CO 0.06 -0.30 1.14 -2.65 -3.72 0.00 0.00 177.10 171.64 1j9r n PRO 88 N 3.53 1.67 0.13 0.43 -0.02 -1.26 0.63 135.00 140.10 1j9r n PRO 88 Ca 0.05 0.59 0.08 0.00 -2.02 0.00 0.00 63.50 62.20 1j9r n PRO 88 Cb 0.36 -2.17 0.44 0.00 -0.02 0.00 0.00 33.50 32.12 1j9r n PRO 88 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1j9r n GLU 89 N 0.29 0.11 0.23 -0.52 0.28 -1.26 -0.60 120.64 119.16 1j9r n GLU 89 Ca 0.08 0.60 0.13 0.00 -0.16 0.00 0.00 57.16 57.80 1j9r n GLU 89 Cb 0.38 -1.88 0.39 0.00 1.43 0.00 0.00 31.44 31.76 1j9r n GLU 89 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 1j9r h THR 90 N 0.00 0.18 -4.25 3.84 1.35 -1.95 -3.44 112.91 108.64 1j9r h THR 90 Ca 0.00 -0.96 -0.46 0.00 -0.55 0.00 0.00 66.41 64.44 1j9r h THR 90 Cb 0.06 1.82 0.13 0.00 -1.73 0.00 0.00 68.15 68.43 1j9r h THR 90 CO 0.00 0.09 0.31 0.20 -0.25 0.00 0.00 175.52 175.86 1j9r s ASN 91 N -6.04 3.54 0.00 5.36 0.01 0.23 -5.02 114.94 113.02 1j9r s ASN 91 Ca 0.03 0.94 0.00 0.00 -0.71 0.00 0.00 52.86 53.13 1j9r s ASN 91 Cb 0.08 -1.50 0.00 0.00 0.41 0.00 0.00 41.25 40.23 1j9r s ASN 91 CO 0.63 -2.53 0.00 0.35 -1.51 0.00 0.00 177.10 174.04 1j9r n THR 92 N -3.75 0.00 -4.17 1.60 -2.24 -1.26 -4.77 114.28 99.69 1j9r n THR 92 Ca 0.07 -0.18 -0.22 0.00 -2.27 0.00 0.00 64.05 61.45 1j9r n THR 92 Cb 0.59 0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 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 -2.40 3.49 0.37 3.22 1.43 -1.26 -4.89 118.68 118.64 1j9r s LEU 93 Ca 0.00 -0.48 -0.21 0.00 -1.03 0.00 0.00 54.13 52.41 1j9r s LEU 93 Cb 0.00 -2.02 -0.10 0.00 0.03 0.00 0.00 46.19 44.10 1j9r s LEU 93 CO 0.00 -0.06 0.89 -0.32 0.23 0.00 0.00 176.35 177.09 1j9r s MET 94 N -3.78 4.28 0.20 1.70 -2.45 -1.26 -4.19 119.30 113.80 1j9r s MET 94 Ca 0.33 1.07 -0.02 0.00 -1.25 0.00 0.00 55.69 55.82 1j9r s MET 94 Cb -0.07 -2.44 -0.04 0.00 1.25 0.00 0.00 34.83 33.53 1j9r s MET 94 CO 0.23 0.12 0.16 -1.01 1.05 0.00 0.00 175.02 175.56 1j9r s HIS 95 N -1.94 1.10 0.21 4.11 0.09 -0.42 -4.95 115.29 113.49 1j9r s HIS 95 Ca 0.56 -1.33 -0.13 0.00 -0.00 0.00 0.00 55.06 54.16 1j9r s HIS 95 Cb -0.12 -0.50 0.05 0.00 -0.00 0.00 0.00 32.58 32.00 1j9r s HIS 95 CO 0.17 -0.67 0.65 0.27 -0.00 0.00 0.00 174.74 175.16 1j9r n ASN 96 N -0.28 -1.46 -3.86 1.40 0.23 -1.26 -0.38 115.26 109.66 1j9r n ASN 96 Ca 0.02 -1.91 -0.12 0.00 -0.53 0.00 0.00 54.58 52.04 1j9r n ASN 96 Cb 0.66 2.40 -0.14 0.00 -2.08 0.00 0.00 39.78 40.62 1j9r n ASN 96 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 1j9r s ILE 97 N -2.28 -0.00 -0.22 1.53 2.07 -1.26 -4.25 121.20 116.79 1j9r s ILE 97 Ca 0.14 0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.41 1j9r s ILE 97 Cb -0.03 -0.04 0.04 0.00 0.13 0.00 0.00 42.46 42.57 1j9r s ILE 97 CO 0.06 0.01 -0.12 0.21 -1.91 0.00 0.00 174.94 173.19 1j9r s ASN 98 N 0.09 3.70 -0.31 4.50 3.84 0.04 -1.41 114.94 125.39 1j9r s ASN 98 Ca -0.01 -1.02 -0.16 0.00 0.21 0.00 0.00 52.86 51.89 1j9r s ASN 98 Cb -0.01 -1.37 -0.02 0.00 -0.55 0.00 0.00 41.25 39.30 1j9r s ASN 98 CO -0.00 -0.14 0.40 -0.36 -2.79 0.00 0.00 177.10 174.21 1j9r s PHE 99 N 1.29 3.22 -0.18 0.43 0.40 0.65 -1.64 117.98 122.15 1j9r s PHE 99 Ca -0.03 0.20 0.26 0.00 -0.60 0.00 0.00 56.93 56.76 1j9r s PHE 99 Cb -0.17 -2.68 1.26 0.00 0.51 0.00 0.00 43.02 41.93 1j9r s PHE 99 CO -0.08 -0.37 1.80 0.45 0.70 0.00 0.00 175.22 177.72 1j9r h HIS 100 N 8.34 0.00 0.00 0.36 3.86 -1.45 -1.24 115.15 125.01 1j9r h HIS 100 Ca -0.30 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 58.84 1j9r h HIS 100 Cb 1.15 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.61 1j9r h HIS 100 CO 0.72 0.00 -0.40 0.00 0.86 0.00 0.00 177.93 179.12 1j9r h ALA 101 N 2.11 0.77 -2.34 2.45 0.00 -1.91 -3.47 119.26 116.87 1j9r h ALA 101 Ca 0.00 -0.32 -0.49 0.00 0.00 0.00 0.00 54.91 54.10 1j9r h ALA 101 Cb 0.20 -0.04 0.06 0.00 0.00 0.00 0.00 17.79 18.01 1j9r h ALA 101 CO 0.00 0.43 0.25 0.00 0.00 0.00 0.00 179.25 179.93 1j9r s ALA 102 N -3.04 3.21 -0.19 0.00 0.00 -0.47 -4.69 121.76 116.58 1j9r s ALA 102 Ca 0.05 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1j9r s ALA 102 Cb 0.07 -2.75 0.03 0.00 0.00 0.00 0.00 23.12 20.47 1j9r s ALA 102 CO 0.73 -0.75 -0.15 0.99 0.00 0.00 0.00 175.76 176.57 1j9r s THR 103 N -3.04 1.86 0.00 0.00 2.01 -1.26 -4.67 115.64 110.55 1j9r s THR 103 Ca 0.53 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.56 1j9r s THR 103 Cb -0.11 -1.79 0.00 0.00 0.01 0.00 0.00 72.50 70.61 1j9r s THR 103 CO 0.48 0.36 0.00 0.61 -0.69 0.00 0.00 174.62 175.38 1j9r n GLY 104 N 4.65 2.84 4.28 4.40 0.00 -1.26 -4.91 105.19 115.19 1j9r n GLY 104 Ca -0.18 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 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 0.24 -1.94 -2.36 4.61 0.00 -1.26 -0.07 120.51 119.73 1j9r n ALA 105 Ca 0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 53.44 52.86 1j9r n ALA 105 Cb 0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 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 -4.52 -1.89 0.00 0.00 4.77 -1.26 -1.12 117.00 112.98 1j9r n LEU 106 Ca -0.29 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 1j9r n LEU 106 Cb 0.68 -2.91 0.00 0.00 -2.33 0.00 0.00 43.42 38.86 1j9r n LEU 106 CO 0.84 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 1j9r n GLY 107 N -0.97 0.65 0.00 -0.72 0.00 0.90 -3.59 105.19 101.46 1j9r n GLY 107 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.69 2.17 0.34 -0.02 0.00 -0.28 -0.25 105.19 104.46 1j9r n GLY 108 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.47 1.47 -0.02 0.00 -0.65 -1.14 103.07 103.19 1j9r h GLY 109 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1j9r h GLY 109 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 176.54 177.25 1j9r n GLY 110 N -1.52 -1.11 0.00 4.60 0.00 -0.35 -3.33 105.19 103.48 1j9r n GLY 110 Ca 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.23 1.43 -0.17 0.99 4.77 -0.47 -4.75 117.00 117.56 1j9r n LEU 111 Ca 0.14 -1.43 0.05 0.00 -0.03 0.00 0.00 56.01 54.74 1j9r n LEU 111 Cb 0.19 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1j9r n LEU 111 CO 0.19 0.36 0.44 0.35 -1.33 0.00 0.00 177.39 177.40 1j9r n THR 112 N -0.30 1.02 -2.02 -5.08 -2.24 -1.00 -4.92 114.28 99.74 1j9r n THR 112 Ca 0.00 -1.19 -0.43 0.00 -2.27 0.00 0.00 64.05 60.16 1j9r n THR 112 Cb 0.22 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 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 -1.47 3.49 -0.04 -0.78 2.02 -1.25 -4.11 118.70 116.57 1j9r s GLU 113 Ca 0.14 1.54 0.04 0.00 0.02 0.00 0.00 54.97 56.71 1j9r s GLU 113 Cb 0.13 -4.15 -0.00 0.00 0.10 0.00 0.00 34.13 30.21 1j9r s GLU 113 CO 0.01 -1.67 -0.15 0.96 0.02 0.00 0.00 175.26 174.44 1j9r s ILE 114 N 6.33 1.25 0.56 -1.63 -4.36 0.49 -4.97 121.20 118.86 1j9r s ILE 114 Ca 0.78 -0.61 -0.03 0.00 -0.26 0.00 0.00 60.65 60.53 1j9r s ILE 114 Cb -0.24 -1.09 0.02 0.00 1.25 0.00 0.00 42.46 42.40 1j9r s ILE 114 CO 0.33 0.37 0.82 0.20 0.24 0.00 0.00 174.94 176.90 1j9r s ASN 115 N 0.12 5.46 0.25 4.36 0.02 -1.26 -1.29 114.94 122.60 1j9r s ASN 115 Ca -0.04 0.38 -0.31 0.00 -1.02 0.00 0.00 52.86 51.87 1j9r s ASN 115 Cb -0.11 -1.37 -0.13 0.00 0.02 0.00 0.00 41.25 39.66 1j9r s ASN 115 CO 0.02 -1.06 1.34 -2.65 0.02 0.00 0.00 177.10 174.76 1j9r n PRO 116 N -2.44 1.93 -0.46 -0.60 -0.02 -1.26 -1.00 135.00 131.15 1j9r n PRO 116 Ca 0.05 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1j9r n PRO 116 Cb 0.59 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 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 1.84 0.76 3.41 -1.23 0.00 0.20 -4.65 105.19 105.52 1j9r n GLY 117 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.54 1.50 0.17 1.61 2.02 -0.17 -4.87 118.70 118.43 1j9r s GLU 118 Ca 0.00 -1.71 -0.02 0.00 0.02 0.00 0.00 54.97 53.26 1j9r s GLU 118 Cb 0.00 -1.32 -0.04 0.00 0.10 0.00 0.00 34.13 32.88 1j9r s GLU 118 CO 0.00 0.17 0.13 -1.59 0.02 0.00 0.00 175.26 173.99 1j9r s LYS 119 N -3.64 1.11 0.11 1.61 -2.85 -1.26 -1.31 119.74 113.51 1j9r s LYS 119 Ca 0.27 -1.51 -0.24 0.00 -1.00 0.00 0.00 55.97 53.49 1j9r s LYS 119 Cb -0.00 0.27 0.06 0.00 -2.06 0.00 0.00 37.83 36.11 1j9r s LYS 119 CO 0.11 -0.35 0.58 -0.08 0.10 0.00 0.00 175.35 175.71 1j9r s THR 120 N -4.10 0.01 -0.11 3.79 -1.32 -0.77 -5.01 115.64 108.13 1j9r s THR 120 Ca 0.31 -0.08 0.00 0.00 -1.21 0.00 0.00 61.69 60.71 1j9r s THR 120 Cb 0.07 -1.01 0.02 0.00 -1.51 0.00 0.00 72.50 70.07 1j9r s THR 120 CO 0.07 -0.05 -0.10 -0.63 -2.21 0.00 0.00 174.62 171.71 1j9r s ILE 121 N -3.19 1.14 -0.05 5.08 1.01 -1.26 -0.83 121.20 123.10 1j9r s ILE 121 Ca -0.01 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.29 1j9r s ILE 121 Cb -0.01 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 1j9r s ILE 121 CO -0.08 0.38 -0.16 -0.22 0.00 0.00 0.00 174.94 174.86 1j9r s LEU 122 N 1.48 2.62 -0.04 2.97 2.96 -0.19 -4.95 118.68 123.53 1j9r s LEU 122 Ca 0.01 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1j9r s LEU 122 Cb -0.13 -1.52 0.00 0.00 0.50 0.00 0.00 46.19 45.04 1j9r s LEU 122 CO -0.06 0.33 -0.12 -0.60 -1.32 0.00 0.00 176.35 174.57 1j9r s ARG 123 N -0.65 1.36 0.02 1.98 3.52 -1.26 -0.39 118.95 123.52 1j9r s ARG 123 Ca 0.10 -0.43 -0.07 0.00 -0.13 0.00 0.00 55.73 55.20 1j9r s ARG 123 Cb -0.11 -1.21 -0.00 0.00 -1.56 0.00 0.00 34.95 32.07 1j9r s ARG 123 CO 0.01 0.15 0.12 -0.59 -0.81 0.00 0.00 175.30 174.18 1j9r s PHE 124 N 0.19 0.11 -0.16 5.12 -0.12 -0.83 -4.98 117.98 117.31 1j9r s PHE 124 Ca -0.05 -0.31 -0.21 0.00 -0.05 0.00 0.00 56.93 56.31 1j9r s PHE 124 Cb -0.11 -0.09 -0.03 0.00 -0.63 0.00 0.00 43.02 42.17 1j9r s PHE 124 CO 0.01 -0.33 0.64 0.21 -0.05 0.00 0.00 175.22 175.71 1j9r s LYS 125 N -1.99 4.28 -1.39 1.99 2.20 -1.26 -1.02 119.74 122.55 1j9r s LYS 125 Ca -0.10 0.68 -0.14 0.00 -0.36 0.00 0.00 55.97 56.05 1j9r s LYS 125 Cb -0.05 -3.53 0.07 0.00 -1.51 0.00 0.00 37.83 32.81 1j9r s LYS 125 CO -0.01 -0.14 2.05 0.00 -0.36 0.00 0.00 175.35 176.89 1j9r n ALA 126 N 4.63 5.08 0.27 3.13 0.00 -0.75 -4.77 120.51 128.11 1j9r n ALA 126 Ca -0.02 -3.96 0.16 0.00 0.00 0.00 0.00 53.44 49.63 1j9r n ALA 126 Cb 0.50 -3.45 0.73 0.00 0.00 0.00 0.00 19.45 17.23 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 4.28 0.22 -3.32 0.00 1.35 -1.86 0.63 112.91 114.21 1j9r h THR 127 Ca 0.51 -0.56 -0.66 0.00 -0.55 0.00 0.00 66.41 65.15 1j9r h THR 127 Cb 0.69 1.46 -0.33 0.00 -1.73 0.00 0.00 68.15 68.24 1j9r h THR 127 CO 1.74 0.07 -0.87 -0.54 -0.25 0.00 0.00 175.52 175.67 1j9r s LYS 128 N -3.83 2.88 0.37 4.72 1.02 -1.26 -4.75 119.74 118.89 1j9r s LYS 128 Ca -0.01 -0.82 -0.24 0.00 0.02 0.00 0.00 55.97 54.92 1j9r s LYS 128 Cb 0.11 -2.22 -0.10 0.00 -0.52 0.00 0.00 37.83 35.10 1j9r s LYS 128 CO 0.55 0.12 0.96 -1.25 -0.92 0.00 0.00 175.35 174.81 1j9r s PRO 129 N 0.47 4.42 0.00 -1.68 0.04 -1.26 -4.80 135.00 132.19 1j9r s PRO 129 Ca -0.16 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1j9r s PRO 129 Cb -0.17 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.80 1j9r s PRO 129 CO 0.06 0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.64 1j9r n GLY 130 N 0.14 1.02 3.88 0.56 0.00 0.10 -2.63 105.19 108.26 1j9r n GLY 130 Ca 0.04 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.14 5.33 0.02 1.61 -7.23 0.84 -0.54 120.40 119.30 1j9r s VAL 131 Ca 0.00 0.28 0.01 0.00 -1.81 0.00 0.00 61.98 60.46 1j9r s VAL 131 Cb 0.00 -3.53 -0.02 0.00 0.56 0.00 0.00 36.38 33.39 1j9r s VAL 131 CO 0.00 0.48 -0.04 -0.36 -0.31 0.00 0.00 175.10 174.87 1j9r s PHE 132 N -1.17 0.38 0.44 2.82 0.08 -0.36 -4.51 117.98 115.65 1j9r s PHE 132 Ca 0.23 -0.43 -0.18 0.00 0.12 0.00 0.00 56.93 56.67 1j9r s PHE 132 Cb -0.13 -0.25 -0.09 0.00 -0.57 0.00 0.00 43.02 41.98 1j9r s PHE 132 CO 0.12 -0.12 0.91 0.08 -0.10 0.00 0.00 175.22 176.11 1j9r s VAL 133 N -1.18 4.51 0.01 -0.44 1.01 -1.26 -0.82 120.40 122.23 1j9r s VAL 133 Ca -0.11 1.25 0.01 0.00 0.00 0.00 0.00 61.98 63.13 1j9r s VAL 133 Cb -0.08 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 1j9r s VAL 133 CO -0.00 -0.42 -0.04 -0.72 0.00 0.00 0.00 175.10 173.91 1j9r s TYR 134 N -2.30 0.34 0.11 5.22 -0.85 -0.76 -1.20 117.35 117.91 1j9r s TYR 134 Ca 0.59 -0.19 -0.25 0.00 -0.52 0.00 0.00 57.07 56.70 1j9r s TYR 134 Cb -0.10 -0.22 0.08 0.00 0.38 0.00 0.00 41.96 42.11 1j9r s TYR 134 CO 0.21 -0.04 0.66 -3.38 -1.52 0.00 0.00 175.55 171.48 1j9r s HIS 135 N -0.48 -0.51 0.54 -3.49 -3.43 -0.65 -0.28 115.29 106.99 1j9r s HIS 135 Ca -0.03 0.35 -0.18 0.00 -0.80 0.00 0.00 55.06 54.40 1j9r s HIS 135 Cb -0.04 0.55 -0.06 0.00 -1.43 0.00 0.00 32.58 31.60 1j9r s HIS 135 CO -0.00 -0.77 1.05 0.00 -2.00 0.00 0.00 174.74 173.01 1j9r n ALA 137 N -1.46 -0.83 -2.56 0.00 0.00 -1.26 -4.63 120.51 109.76 1j9r n ALA 137 Ca 0.09 -1.52 -0.43 0.00 0.00 0.00 0.00 53.44 51.58 1j9r n ALA 137 Cb 0.53 -1.32 -0.05 0.00 0.00 0.00 0.00 19.45 18.61 1j9r n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1j9r s PRO 138 N 0.63 3.46 -0.89 0.00 0.02 -1.26 -4.96 135.00 132.01 1j9r s PRO 138 Ca 0.31 0.02 -0.10 0.00 0.02 0.00 0.00 61.00 61.25 1j9r s PRO 138 Cb 0.04 -3.94 -0.29 0.00 0.02 0.00 0.00 34.50 30.32 1j9r s PRO 138 CO -0.10 -1.21 1.97 -2.30 -0.33 0.00 0.00 177.00 175.03 1j9r n PRO 139 N 7.02 0.00 0.00 5.54 -0.02 -1.26 -1.09 135.00 145.19 1j9r n PRO 139 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1j9r n PRO 139 Cb 0.48 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 33.03 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 5.01 0.95 2.69 -1.23 0.00 -1.26 -4.99 105.19 106.36 1j9r n GLY 140 Ca 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 1.17 0.37 1.61 2.81 -0.25 -5.03 117.12 117.80 1j9r n MET 141 Ca 0.00 -1.98 -0.15 0.00 -1.81 0.00 0.00 57.70 53.77 1j9r n MET 141 Cb 0.00 -0.30 -0.07 0.00 -0.71 0.00 0.00 33.22 32.14 1j9r n MET 141 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1j9r h VAL 142 N 2.21 0.00 -0.81 2.03 2.07 -1.93 -3.03 116.25 116.79 1j9r h VAL 142 Ca -0.23 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.15 1j9r h VAL 142 Cb 1.26 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 1j9r h VAL 142 CO 0.01 0.00 0.53 1.55 0.02 0.00 0.00 177.57 179.68 1j9r h PRO 143 N -1.14 0.89 -0.10 1.57 0.13 -1.94 -2.58 132.00 128.82 1j9r h PRO 143 Ca -0.10 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1j9r h PRO 143 Cb 0.73 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.66 1j9r h PRO 143 CO 0.16 0.59 0.06 2.35 -0.23 0.00 0.00 178.00 180.93 1j9r h TRP 144 N 0.91 0.13 -0.44 1.56 7.01 -1.97 -0.46 115.95 122.69 1j9r h TRP 144 Ca 0.34 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.33 1j9r h TRP 144 Cb 0.18 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 1j9r h TRP 144 CO -0.00 0.11 0.24 0.45 -2.79 0.00 0.00 178.44 176.45 1j9r h HIS 145 N 0.11 0.61 -0.35 2.65 3.86 -1.38 -2.32 115.15 118.33 1j9r h HIS 145 Ca 0.03 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1j9r h HIS 145 Cb 0.02 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 1j9r h HIS 145 CO -0.06 0.47 0.14 0.28 0.86 0.00 0.00 177.93 179.61 1j9r h VAL 146 N 0.57 1.19 0.00 2.45 2.07 -1.30 -1.64 116.25 119.59 1j9r h VAL 146 Ca 0.15 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1j9r h VAL 146 Cb 0.07 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1j9r h VAL 146 CO -0.02 0.20 0.00 1.33 0.02 0.00 0.00 177.57 179.10 1j9r n VAL 147 N -4.69 0.00 -0.44 2.57 0.24 -0.20 -1.39 118.33 114.42 1j9r n VAL 147 Ca -0.01 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.38 1j9r n VAL 147 Cb 0.14 -0.14 0.28 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 -0.59 3.92 0.00 -1.34 7.64 -0.64 -4.67 113.62 117.94 1j9r n SER 148 Ca 0.04 -2.21 0.00 0.00 1.01 0.00 0.00 58.87 57.71 1j9r n SER 148 Cb 0.02 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 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 1.03 0.75 2.92 0.23 0.00 -0.49 -1.87 105.19 107.76 1j9r n GLY 149 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.39 3.34 -3.45 1.61 0.00 -0.97 -4.58 117.12 110.68 1j9r n MET 150 Ca 0.00 -3.26 -0.11 0.00 0.00 0.00 0.00 57.70 54.33 1j9r n MET 150 Cb 0.00 -3.08 -0.02 0.00 0.00 0.00 0.00 33.22 30.12 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 1.97 -0.51 0.00 6.12 2.20 -1.26 -2.15 114.94 121.31 1j9r s ASN 151 Ca 0.43 0.01 0.00 0.00 -0.94 0.00 0.00 52.86 52.36 1j9r s ASN 151 Cb 0.09 0.54 0.00 0.00 -2.00 0.00 0.00 41.25 39.88 1j9r s ASN 151 CO -0.02 -0.86 0.00 0.61 -2.94 0.00 0.00 177.10 173.89 1j9r n GLY 152 N -0.33 3.20 3.66 0.45 0.00 0.61 -0.55 105.19 112.24 1j9r n GLY 152 Ca -0.15 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.23 0.12 4.61 0.00 -1.26 -1.83 121.76 121.17 1j9r s ALA 153 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1j9r s ALA 153 Cb 0.00 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.95 1j9r s ALA 153 CO 0.00 -0.91 -0.06 0.96 0.00 0.00 0.00 175.76 175.75 1j9r s ILE 154 N -3.87 0.76 -0.10 0.00 -4.36 -0.00 -2.96 121.20 110.67 1j9r s ILE 154 Ca 0.08 -1.96 0.02 0.00 -0.26 0.00 0.00 60.65 58.53 1j9r s ILE 154 Cb -0.03 -1.78 0.01 0.00 1.25 0.00 0.00 42.46 41.91 1j9r s ILE 154 CO -0.00 -0.79 -0.15 -0.32 0.24 0.00 0.00 174.94 173.92 1j9r s MET 155 N -3.84 2.18 -0.47 0.37 -2.45 0.10 -1.23 119.30 113.98 1j9r s MET 155 Ca 0.15 -0.55 -0.05 0.00 -1.25 0.00 0.00 55.69 53.99 1j9r s MET 155 Cb 0.05 -1.84 0.12 0.00 1.25 0.00 0.00 34.83 34.41 1j9r s MET 155 CO -0.03 -0.04 0.29 0.08 1.05 0.00 0.00 175.02 176.37 1j9r s VAL 156 N 0.93 3.65 0.40 10.11 1.01 0.30 -1.08 120.40 135.72 1j9r s VAL 156 Ca -0.08 -2.12 -0.23 0.00 0.00 0.00 0.00 61.98 59.55 1j9r s VAL 156 Cb -0.15 -3.45 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 1j9r s VAL 156 CO -0.01 -0.75 0.99 -0.76 0.00 0.00 0.00 175.10 174.58 1j9r s LEU 157 N 1.01 4.09 0.61 3.92 1.43 -0.11 0.02 118.68 129.65 1j9r s LEU 157 Ca 0.09 1.87 -0.19 0.00 -1.03 0.00 0.00 54.13 54.87 1j9r s LEU 157 Cb -0.23 -4.30 -0.03 0.00 0.03 0.00 0.00 46.19 41.66 1j9r s LEU 157 CO -0.03 -0.39 1.25 -2.84 0.23 0.00 0.00 176.35 174.57 1j9r s PRO 158 N -2.69 2.83 0.57 1.29 0.02 -1.26 -0.13 135.00 135.64 1j9r s PRO 158 Ca 0.58 1.94 0.30 0.00 0.02 0.00 0.00 61.00 63.84 1j9r s PRO 158 Cb -0.17 -1.92 1.72 0.00 0.02 0.00 0.00 34.50 34.16 1j9r s PRO 158 CO 0.21 -1.34 2.19 0.00 -0.33 0.00 0.00 177.00 177.73 1j9r h ARG 159 N 0.81 0.00 -0.47 5.54 3.08 -1.89 0.31 114.38 121.76 1j9r h ARG 159 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1j9r h ARG 159 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1j9r h ARG 159 CO 0.55 0.04 0.00 -0.85 -1.07 0.00 0.00 179.97 178.64 1j9r n GLU 160 N -3.72 2.09 -0.06 0.04 0.00 -1.26 -0.44 120.64 117.29 1j9r n GLU 160 Ca -0.03 -1.67 0.01 0.00 0.00 0.00 0.00 57.16 55.48 1j9r n GLU 160 Cb 0.14 -1.37 -0.00 0.00 0.00 0.00 0.00 31.44 30.21 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 1.22 -2.03 3.83 -1.84 0.00 0.10 -4.83 105.19 101.64 1j9r n GLY 161 Ca 0.15 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 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 4.10 0.03 0.99 1.43 -1.26 -4.31 118.68 119.67 1j9r s LEU 162 Ca 0.00 1.41 -0.06 0.00 -1.03 0.00 0.00 54.13 54.45 1j9r s LEU 162 Cb 0.00 -4.08 -0.01 0.00 0.03 0.00 0.00 46.19 42.14 1j9r s LEU 162 CO 0.00 -0.19 0.10 -1.00 0.23 0.00 0.00 176.35 175.49 1j9r s HIS 163 N -1.92 0.17 0.00 0.29 3.76 -1.26 -0.84 115.29 115.50 1j9r s HIS 163 Ca 0.53 -0.44 0.00 0.00 -0.15 0.00 0.00 55.06 55.00 1j9r s HIS 163 Cb -0.12 -0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.45 1j9r s HIS 163 CO 0.18 -0.35 0.00 -0.40 -0.85 0.00 0.00 174.74 173.32 1j9r n ASP 164 N 0.91 -0.31 0.02 1.40 5.68 0.10 -4.84 116.55 119.51 1j9r n ASP 164 Ca -0.20 -0.77 0.09 0.00 -0.50 0.00 0.00 54.79 53.40 1j9r n ASP 164 Cb 0.58 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.93 1j9r n ASP 164 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j9r n GLY 165 N 4.16 -1.11 0.75 6.12 0.00 -1.26 -3.46 105.19 110.40 1j9r n GLY 165 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1j9r n GLY 165 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1j9r n LYS 166 N -1.62 2.30 -0.04 1.61 4.76 -1.26 -4.97 118.16 118.94 1j9r n LYS 166 Ca 0.04 -2.87 0.00 0.00 -2.87 0.00 0.00 58.31 52.61 1j9r n LYS 166 Cb 0.20 -1.76 0.00 0.00 -1.84 0.00 0.00 35.03 31.63 1j9r n LYS 166 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1j9r n GLY 167 N -0.86 1.50 3.71 0.72 0.00 -1.22 -5.03 105.19 104.00 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 -0.48 4.49 0.56 1.61 3.01 -1.26 -4.82 119.74 122.85 1j9r s LYS 168 Ca 0.00 1.22 -0.21 0.00 -1.01 0.00 0.00 55.97 55.97 1j9r s LYS 168 Cb 0.00 -3.47 -0.05 0.00 -1.01 0.00 0.00 37.83 33.30 1j9r s LYS 168 CO 0.00 -0.06 1.18 0.00 0.51 0.00 0.00 175.35 176.99 1j9r n ALA 169 N 4.05 0.91 -3.79 5.17 0.00 -1.26 0.01 120.51 125.60 1j9r n ALA 169 Ca 0.04 0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 1j9r n ALA 169 Cb 0.51 -2.24 -0.16 0.00 0.00 0.00 0.00 19.45 17.56 1j9r n ALA 169 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1j9r s LEU 170 N -2.73 1.71 -0.23 0.00 1.43 -0.02 -4.71 118.68 114.13 1j9r s LEU 170 Ca 0.73 -1.05 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1j9r s LEU 170 Cb -0.43 -0.79 0.01 0.00 0.03 0.00 0.00 46.19 45.01 1j9r s LEU 170 CO 0.48 -0.31 -0.05 -0.89 0.23 0.00 0.00 176.35 175.82 1j9r s THR 171 N 1.70 3.14 0.27 5.49 2.01 -1.26 -4.16 115.64 122.83 1j9r s THR 171 Ca -0.01 -0.74 -0.11 0.00 0.31 0.00 0.00 61.69 61.14 1j9r s THR 171 Cb -0.18 -2.50 -0.08 0.00 0.01 0.00 0.00 72.50 69.76 1j9r s THR 171 CO -0.10 0.32 0.62 -0.72 -0.69 0.00 0.00 174.62 174.04 1j9r s TYR 172 N 1.41 3.41 -0.05 4.92 -0.85 -1.26 -4.87 117.35 120.06 1j9r s TYR 172 Ca 0.03 0.97 -0.05 0.00 -0.52 0.00 0.00 57.07 57.50 1j9r s TYR 172 Cb -0.15 -2.34 -0.28 0.00 0.38 0.00 0.00 41.96 39.56 1j9r s TYR 172 CO -0.04 0.19 0.65 -0.44 -1.52 0.00 0.00 175.55 174.38 1j9r h ASP 173 N 2.32 0.44 -4.37 -0.18 3.32 -0.50 -3.48 116.42 113.97 1j9r h ASP 173 Ca -0.47 -0.74 -0.30 0.00 0.02 0.00 0.00 57.03 55.54 1j9r h ASP 173 Cb 1.17 -0.14 -0.17 0.00 0.22 0.00 0.00 39.33 40.41 1j9r h ASP 173 CO 0.67 1.63 -0.72 -0.54 -1.72 0.00 0.00 179.24 178.57 1j9r s LYS 174 N -2.59 0.87 -0.00 3.56 1.02 -0.90 -5.03 119.74 116.67 1j9r s LYS 174 Ca -0.14 -1.23 0.00 0.00 0.02 0.00 0.00 55.97 54.62 1j9r s LYS 174 Cb 0.06 -0.47 0.01 0.00 -0.52 0.00 0.00 37.83 36.91 1j9r s LYS 174 CO 0.83 0.06 0.00 -1.50 -0.92 0.00 0.00 175.35 173.82 1j9r s ILE 175 N -2.81 0.00 0.04 2.17 2.07 -1.26 -1.51 121.20 119.90 1j9r s ILE 175 Ca 0.08 0.04 0.05 0.00 -1.41 0.00 0.00 60.65 59.41 1j9r s ILE 175 Cb -0.00 -0.04 -0.02 0.00 0.13 0.00 0.00 42.46 42.52 1j9r s ILE 175 CO -0.01 0.03 -0.14 -0.31 -1.91 0.00 0.00 174.94 172.60 1j9r s TYR 176 N 0.24 1.21 -0.28 3.50 2.02 -0.66 -4.48 117.35 118.91 1j9r s TYR 176 Ca -0.02 -0.35 -0.01 0.00 -0.37 0.00 0.00 57.07 56.32 1j9r s TYR 176 Cb -0.03 -0.72 0.05 0.00 -0.40 0.00 0.00 41.96 40.85 1j9r s TYR 176 CO -0.01 0.03 -0.05 -0.47 -1.57 0.00 0.00 175.55 173.49 1j9r s TYR 177 N -0.84 3.20 -0.42 2.71 5.04 -0.10 -0.32 117.35 126.62 1j9r s TYR 177 Ca 0.01 -1.89 -0.12 0.00 -2.44 0.00 0.00 57.07 52.63 1j9r s TYR 177 Cb -0.08 -2.05 0.05 0.00 0.35 0.00 0.00 41.96 40.24 1j9r s TYR 177 CO 0.01 -0.80 0.29 0.08 -1.34 0.00 0.00 175.55 173.78 1j9r s VAL 178 N 1.24 4.73 -0.25 3.14 1.01 0.25 -4.27 120.40 126.24 1j9r s VAL 178 Ca -0.05 -1.06 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 1j9r s VAL 178 Cb -0.19 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 1j9r s VAL 178 CO -0.03 -0.42 0.46 -0.83 0.00 0.00 0.00 175.10 174.28 1j9r s GLY 179 N 2.03 1.91 -0.18 4.51 0.00 -1.26 -2.13 107.32 112.20 1j9r s GLY 179 Ca 0.03 -0.62 -0.10 0.00 0.00 0.00 0.00 44.72 44.03 1j9r s GLY 179 CO 0.06 1.10 0.16 1.85 0.00 0.00 0.00 173.10 176.27 1j9r s GLU 180 N 2.03 4.12 -0.08 2.90 2.12 -0.36 -1.66 118.70 127.77 1j9r s GLU 180 Ca 0.20 -0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.42 1j9r s GLU 180 Cb -0.15 -3.40 0.00 0.00 0.26 0.00 0.00 34.13 30.84 1j9r s GLU 180 CO 0.09 0.34 -0.20 -1.14 -0.54 0.00 0.00 175.26 173.82 1j9r s GLN 181 N 0.22 2.39 -0.19 4.30 2.00 0.85 -4.45 119.66 124.78 1j9r s GLN 181 Ca 0.10 -0.70 -0.12 0.00 -2.00 0.00 0.00 55.36 52.64 1j9r s GLN 181 Cb -0.12 -1.90 -0.05 0.00 0.80 0.00 0.00 33.01 31.75 1j9r s GLN 181 CO -0.00 0.17 0.24 0.16 -0.50 0.00 0.00 175.29 175.36 1j9r s ASP 182 N 0.32 6.32 0.06 6.67 3.84 -1.26 -1.24 116.67 131.37 1j9r s ASP 182 Ca -0.13 0.36 0.08 0.00 -0.00 0.00 0.00 52.55 52.85 1j9r s ASP 182 Cb -0.16 -2.15 -0.03 0.00 -1.38 0.00 0.00 42.92 39.20 1j9r s ASP 182 CO 0.06 0.09 -0.19 -0.36 -0.00 0.00 0.00 175.17 174.77 1j9r s PHE 183 N 0.66 2.54 -0.51 2.11 0.08 0.27 -4.75 117.98 118.38 1j9r s PHE 183 Ca 0.13 -0.27 0.03 0.00 0.12 0.00 0.00 56.93 56.94 1j9r s PHE 183 Cb -0.13 -1.44 0.14 0.00 -0.57 0.00 0.00 43.02 41.03 1j9r s PHE 183 CO 0.03 0.27 0.30 0.71 -0.10 0.00 0.00 175.22 176.43 1j9r s TYR 184 N -0.96 2.50 -0.18 0.36 1.51 -1.26 -0.40 117.35 118.92 1j9r s TYR 184 Ca 0.15 -2.78 -0.16 0.00 -1.01 0.00 0.00 57.07 53.27 1j9r s TYR 184 Cb -0.10 -2.19 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1j9r s TYR 184 CO 0.06 -0.73 0.42 0.08 -1.11 0.00 0.00 175.55 174.26 1j9r s VAL 185 N -0.18 5.20 0.65 0.71 1.01 -1.26 -4.78 120.40 121.75 1j9r s VAL 185 Ca 0.20 0.77 -0.18 0.00 0.00 0.00 0.00 61.98 62.77 1j9r s VAL 185 Cb -0.18 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1j9r s VAL 185 CO -0.05 0.27 1.29 -2.84 0.00 0.00 0.00 175.10 173.77 1j9r s PRO 186 N 1.12 2.55 0.12 2.72 0.02 -1.26 -4.90 135.00 135.37 1j9r s PRO 186 Ca 0.21 2.05 0.08 0.00 0.02 0.00 0.00 61.00 63.35 1j9r s PRO 186 Cb -0.15 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 1j9r s PRO 186 CO 0.08 -1.60 -0.18 1.03 -0.33 0.00 0.00 177.00 176.00 1j9r s ARG 187 N -3.39 1.10 0.69 5.54 0.52 -1.26 -1.48 118.95 120.67 1j9r s ARG 187 Ca 0.82 -1.20 -0.01 0.00 -0.52 0.00 0.00 55.73 54.82 1j9r s ARG 187 Cb -0.37 -1.24 0.14 0.00 0.52 0.00 0.00 34.95 34.00 1j9r s ARG 187 CO 0.40 0.27 0.95 -0.40 0.02 0.00 0.00 175.30 176.53 1j9r n ASP 188 N 0.85 1.20 0.28 0.23 5.68 0.83 -4.86 116.55 120.76 1j9r n ASP 188 Ca -0.18 -2.03 0.18 0.00 -0.50 0.00 0.00 54.79 52.26 1j9r n ASP 188 Cb 0.55 -0.62 0.89 0.00 -1.14 0.00 0.00 41.12 40.80 1j9r n ASP 188 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1j9r h GLU 189 N 0.00 0.00 -0.01 0.11 4.39 -2.02 0.53 114.58 117.59 1j9r h GLU 189 Ca -0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.39 1j9r h GLU 189 Cb 1.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1j9r h GLU 189 CO 0.33 0.00 -0.13 0.09 -1.16 0.00 0.00 179.01 178.14 1j9r n ASN 190 N -3.18 0.66 0.00 1.42 3.02 -1.26 -4.89 115.26 111.02 1j9r n ASN 190 Ca -0.00 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 1j9r n ASN 190 Cb 0.34 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 1j9r n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j9r n GLY 191 N 1.27 0.47 3.85 7.41 0.00 0.19 -5.03 105.19 113.35 1j9r n GLY 191 Ca 0.15 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.72 3.86 0.18 1.61 2.47 -1.25 -4.77 119.74 121.11 1j9r s LYS 192 Ca 0.00 0.32 -0.30 0.00 -1.56 0.00 0.00 55.97 54.43 1j9r s LYS 192 Cb 0.00 -3.04 -0.09 0.00 -1.46 0.00 0.00 37.83 33.24 1j9r s LYS 192 CO 0.00 0.58 1.37 0.71 0.16 0.00 0.00 175.35 178.17 1j9r s TYR 193 N -1.33 3.19 0.37 4.03 1.51 -1.26 -0.12 117.35 123.75 1j9r s TYR 193 Ca 0.32 1.07 -0.14 0.00 -1.01 0.00 0.00 57.07 57.32 1j9r s TYR 193 Cb -0.15 -3.69 -0.08 0.00 -0.11 0.00 0.00 41.96 37.93 1j9r s TYR 193 CO 0.17 -2.27 0.78 0.15 -1.11 0.00 0.00 175.55 173.27 1j9r s LYS 194 N 0.24 3.92 0.20 -0.62 1.02 -0.55 -4.86 119.74 119.08 1j9r s LYS 194 Ca 0.60 0.63 0.09 0.00 0.02 0.00 0.00 55.97 57.31 1j9r s LYS 194 Cb -0.38 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 1j9r s LYS 194 CO 0.37 0.04 -0.05 0.15 -0.92 0.00 0.00 175.35 174.93 1j9r s LYS 195 N -3.42 2.20 0.05 1.68 1.02 -1.26 -4.77 119.74 115.24 1j9r s LYS 195 Ca 0.54 -1.27 0.02 0.00 0.02 0.00 0.00 55.97 55.28 1j9r s LYS 195 Cb -0.10 -2.21 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1j9r s LYS 195 CO 0.24 0.42 -0.08 0.71 -0.92 0.00 0.00 175.35 175.72 1j9r s TYR 196 N -1.86 0.73 -0.03 3.18 2.02 -1.26 -5.06 117.35 115.06 1j9r s TYR 196 Ca 0.27 -0.58 -0.25 0.00 -0.37 0.00 0.00 57.07 56.14 1j9r s TYR 196 Cb -0.08 -0.43 -0.19 0.00 -0.40 0.00 0.00 41.96 40.85 1j9r s TYR 196 CO 0.17 -0.09 1.15 0.93 -1.57 0.00 0.00 175.55 176.13 1j9r h GLU 197 N 4.19 -0.09 -5.72 -0.62 5.08 -2.01 -3.46 114.58 111.95 1j9r h GLU 197 Ca -0.36 0.01 -0.49 0.00 -1.00 0.00 0.00 59.36 57.52 1j9r h GLU 197 Cb 1.19 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 30.32 1j9r h GLU 197 CO 0.45 0.39 -0.75 0.00 -1.00 0.00 0.00 179.01 178.11 1j9r s ALA 198 N -4.08 2.12 0.35 3.43 0.00 -1.26 -5.05 121.76 117.27 1j9r s ALA 198 Ca -0.15 -1.66 0.05 0.00 0.00 0.00 0.00 51.96 50.20 1j9r s ALA 198 Cb 0.01 -0.13 0.70 0.00 0.00 0.00 0.00 23.12 23.70 1j9r s ALA 198 CO 0.62 0.13 1.93 -1.00 0.00 0.00 0.00 175.76 177.44 1j9r h PRO 199 N 2.63 0.79 -0.88 0.00 0.13 -1.93 -2.46 132.00 130.28 1j9r h PRO 199 Ca -0.39 -0.05 0.02 0.00 -0.87 0.00 0.00 66.00 64.72 1j9r h PRO 199 Cb 1.22 -0.18 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 1j9r h PRO 199 CO 0.60 0.52 0.58 0.78 -0.23 0.00 0.00 178.00 180.26 1j9r h GLY 200 N 0.82 1.26 1.35 1.56 0.00 -1.99 -2.61 103.07 103.46 1j9r h GLY 200 Ca 0.35 -0.45 0.08 0.00 0.00 0.00 0.00 47.33 47.32 1j9r h GLY 200 CO -0.13 0.41 0.25 -0.55 0.00 0.00 0.00 176.54 176.52 1j9r h ASP 201 N 1.14 0.09 0.79 0.19 3.45 -1.86 -2.50 116.42 117.72 1j9r h ASP 201 Ca 0.34 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.80 1j9r h ASP 201 Cb -0.04 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 1j9r h ASP 201 CO -0.09 0.06 -0.41 0.00 -1.57 0.00 0.00 179.24 177.23 1j9r n ALA 202 N -2.58 3.01 -0.04 3.45 0.00 -0.98 -4.54 120.51 118.83 1j9r n ALA 202 Ca 0.05 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 1j9r n ALA 202 Cb 0.36 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 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 0.00 -0.94 -0.01 0.00 5.03 -1.49 -0.37 116.97 119.20 1j9r h TYR 203 Ca 0.00 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1j9r h TYR 203 Cb 0.60 0.44 -0.00 0.00 1.55 0.00 0.00 36.73 39.32 1j9r h TYR 203 CO 0.00 -0.40 0.01 1.49 -1.32 0.00 0.00 178.16 177.93 1j9r h GLU 204 N -0.36 0.01 -0.77 1.82 4.81 -1.81 -0.36 114.58 117.93 1j9r h GLU 204 Ca 0.12 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 1j9r h GLU 204 Cb 0.55 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.89 1j9r h GLU 204 CO -0.42 0.02 0.37 -0.44 -0.73 0.00 0.00 179.01 177.81 1j9r h ASP 205 N 0.01 1.00 -0.28 1.04 3.45 -1.83 -2.79 116.42 117.01 1j9r h ASP 205 Ca 0.00 -0.11 -0.04 0.00 0.43 0.00 0.00 57.03 57.31 1j9r h ASP 205 Cb 0.01 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.51 1j9r h ASP 205 CO -0.00 0.84 0.02 0.74 -1.57 0.00 0.00 179.24 179.27 1j9r h THR 206 N 1.10 1.25 -0.99 0.35 2.02 -0.76 -2.84 112.91 113.03 1j9r h THR 206 Ca 0.27 -0.86 0.11 0.00 0.77 0.00 0.00 66.41 66.69 1j9r h THR 206 Cb 0.11 1.27 -0.08 0.00 -1.74 0.00 0.00 68.15 67.70 1j9r h THR 206 CO -0.03 0.28 0.62 0.58 0.37 0.00 0.00 175.52 177.34 1j9r h VAL 207 N 0.28 0.95 -0.79 3.16 2.07 -0.89 0.15 116.25 121.19 1j9r h VAL 207 Ca 0.08 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1j9r h VAL 207 Cb 0.38 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 1j9r h VAL 207 CO 0.01 0.19 0.51 0.50 0.02 0.00 0.00 177.57 178.80 1j9r h LYS 208 N 1.02 1.00 -0.29 1.57 3.64 -1.31 -0.77 116.57 121.43 1j9r h LYS 208 Ca 0.48 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.72 1j9r h LYS 208 Cb 0.41 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1j9r h LYS 208 CO -0.25 0.66 -0.10 0.28 -2.27 0.00 0.00 179.45 177.77 1j9r h VAL 209 N 1.03 1.29 -0.92 2.00 2.07 -0.81 -2.96 116.25 117.95 1j9r h VAL 209 Ca 0.30 -1.17 0.12 0.00 0.82 0.00 0.00 66.70 66.77 1j9r h VAL 209 Cb -0.07 1.44 -0.07 0.00 -1.52 0.00 0.00 31.29 31.07 1j9r h VAL 209 CO -0.08 0.37 0.59 0.24 0.02 0.00 0.00 177.57 178.71 1j9r h MET 210 N 0.34 0.82 0.00 1.57 2.86 -0.26 -0.82 114.93 119.44 1j9r h MET 210 Ca 0.07 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1j9r h MET 210 Cb 0.60 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 1j9r h MET 210 CO 0.04 0.54 -0.00 0.00 1.06 0.00 0.00 176.91 178.55 1j9r h ARG 211 N 0.84 0.00 0.00 1.72 3.08 -0.98 -0.46 114.38 118.59 1j9r h ARG 211 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 1j9r h ARG 211 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1j9r h ARG 211 CO -0.21 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.94 1j9r n THR 212 N -3.09 0.53 -2.14 2.04 -2.24 -0.31 -4.88 114.28 104.18 1j9r n THR 212 Ca -0.01 -0.08 -0.20 0.00 -2.27 0.00 0.00 64.05 61.49 1j9r n THR 212 Cb 0.18 -0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 67.67 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 -2.01 -1.71 -3.86 3.22 4.77 -0.18 -4.94 117.00 112.29 1j9r n LEU 213 Ca 0.05 0.17 -0.30 0.00 -0.03 0.00 0.00 56.01 55.89 1j9r n LEU 213 Cb 0.35 -2.81 -0.15 0.00 -2.33 0.00 0.00 43.42 38.48 1j9r n LEU 213 CO 0.26 -0.47 -0.33 -0.89 -1.33 0.00 0.00 177.39 174.63 1j9r s THR 214 N -2.88 1.51 0.54 -5.08 2.01 -1.26 -5.11 115.64 105.36 1j9r s THR 214 Ca 0.00 -1.85 -0.21 0.00 0.31 0.00 0.00 61.69 59.94 1j9r s THR 214 Cb 0.00 -2.13 -0.05 0.00 0.01 0.00 0.00 72.50 70.33 1j9r s THR 214 CO 0.00 -0.65 1.27 -2.16 -0.69 0.00 0.00 174.62 172.39 1j9r s PRO 215 N 1.27 3.25 0.15 4.92 0.04 -1.26 -4.92 135.00 138.45 1j9r s PRO 215 Ca 0.11 2.01 0.13 0.00 0.04 0.00 0.00 61.00 63.28 1j9r s PRO 215 Cb -0.18 -2.21 -0.09 0.00 0.04 0.00 0.00 34.50 32.06 1j9r s PRO 215 CO -0.17 -1.03 1.18 1.79 0.04 0.00 0.00 177.00 178.81 1j9r h THR 216 N 1.41 1.04 -3.84 1.26 1.35 -1.08 -3.46 112.91 109.59 1j9r h THR 216 Ca -0.50 -2.58 -0.20 0.00 -0.55 0.00 0.00 66.41 62.57 1j9r h THR 216 Cb 1.29 2.47 -0.25 0.00 -1.73 0.00 0.00 68.15 69.93 1j9r h THR 216 CO 0.57 0.59 -0.71 -1.00 -0.25 0.00 0.00 175.52 174.73 1j9r s HIS 217 N -2.84 0.12 -0.21 4.73 3.76 -1.09 -4.85 115.29 114.90 1j9r s HIS 217 Ca 0.01 -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 0.07 0.00 1.11 0.00 0.00 32.58 33.76 1j9r s HIS 217 CO 0.79 -0.09 0.06 0.08 -0.85 0.00 0.00 174.74 174.73 1j9r s VAL 218 N -0.66 0.42 0.18 -0.90 1.01 -0.44 -0.56 120.40 119.45 1j9r s VAL 218 Ca -0.07 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.36 1j9r s VAL 218 Cb -0.05 -1.02 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 1j9r s VAL 218 CO -0.00 -0.30 -0.08 0.68 0.00 0.00 0.00 175.10 175.39 1j9r s VAL 219 N 1.90 1.24 -0.09 2.92 -7.23 -0.38 0.07 120.40 118.82 1j9r s VAL 219 Ca 0.01 -2.08 -0.03 0.00 -1.81 0.00 0.00 61.98 58.07 1j9r s VAL 219 Cb -0.17 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.73 1j9r s VAL 219 CO -0.12 -0.61 0.03 -0.36 -0.31 0.00 0.00 175.10 173.73 1j9r s PHE 220 N -3.29 3.25 -1.52 2.82 0.08 -1.26 -0.11 117.98 117.96 1j9r s PHE 220 Ca 0.21 0.26 -0.13 0.00 0.12 0.00 0.00 56.93 57.39 1j9r s PHE 220 Cb 0.03 -1.82 0.08 0.00 -0.57 0.00 0.00 43.02 40.74 1j9r s PHE 220 CO 0.04 0.52 1.00 -1.71 -0.10 0.00 0.00 175.22 174.97 1j9r n ASN 221 N 2.12 -4.93 0.00 1.36 4.05 -0.67 -3.06 115.26 114.13 1j9r n ASN 221 Ca -0.19 -0.76 0.00 0.00 0.45 0.00 0.00 54.58 54.08 1j9r n ASN 221 Cb 0.54 -3.99 0.00 0.00 1.23 0.00 0.00 39.78 37.56 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 -1.72 2.12 3.54 8.20 0.00 -0.85 -4.77 105.19 111.70 1j9r n GLY 222 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.38 -1.87 0.31 4.61 0.00 -1.17 -4.57 121.76 115.68 1j9r s ALA 223 Ca 0.00 1.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.96 1j9r s ALA 223 Cb 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 23.12 22.89 1j9r s ALA 223 CO 0.00 -0.50 1.33 0.28 0.00 0.00 0.00 175.76 176.86 1j9r n VAL 224 N 0.25 1.63 -0.97 0.00 0.31 -0.31 -1.57 118.33 117.68 1j9r n VAL 224 Ca -0.10 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1j9r n VAL 224 Cb 0.60 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 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 1.27 0.00 0.36 2.92 0.00 -1.26 -4.82 105.19 103.67 1j9r n GLY 225 Ca 0.07 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.28 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 2.33 -1.36 4.61 0.00 -1.50 -2.40 119.26 120.93 1j9r h ALA 226 Ca 0.00 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.23 1j9r h ALA 226 Cb 0.94 0.03 -0.36 0.00 0.00 0.00 0.00 17.79 18.40 1j9r h ALA 226 CO 0.00 -0.53 0.02 1.28 0.00 0.00 0.00 179.25 180.02 1j9r n LEU 227 N -4.28 5.87 -4.26 0.00 4.77 -1.26 -4.73 117.00 113.12 1j9r n LEU 227 Ca 0.07 -5.11 -0.15 0.00 -0.03 0.00 0.00 56.01 50.79 1j9r n LEU 227 Cb 0.51 -0.72 -0.10 0.00 -2.33 0.00 0.00 43.42 40.78 1j9r n LEU 227 CO 0.35 2.06 -0.22 0.42 -1.33 0.00 0.00 177.39 178.67 1j9r s THR 228 N -5.25 0.17 0.00 -5.08 -4.23 -0.91 -1.33 115.64 99.01 1j9r s THR 228 Ca 0.49 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1j9r s THR 228 Cb 0.40 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.71 1j9r s THR 228 CO -0.27 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1j9r n GLY 229 N -0.40 3.29 0.09 3.99 0.00 -1.26 -1.43 105.19 109.47 1j9r n GLY 229 Ca 0.02 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 2.82 0.36 -1.01 1.61 5.75 -1.26 -0.93 116.55 123.89 1j9r n ASP 230 Ca 0.00 0.64 0.10 0.00 -0.01 0.00 0.00 54.79 55.51 1j9r n ASP 230 Cb 0.00 -0.70 0.21 0.00 -1.03 0.00 0.00 41.12 39.61 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 -1.95 2.49 -1.86 0.11 4.76 -0.51 -4.99 118.16 116.21 1j9r n LYS 231 Ca 0.00 -2.23 -0.37 0.00 -2.87 0.00 0.00 58.31 52.83 1j9r n LYS 231 Cb 0.08 -1.44 0.04 0.00 -1.84 0.00 0.00 35.03 31.88 1j9r n LYS 231 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j9r s ALA 232 N -1.15 2.64 0.69 7.82 0.00 -0.10 -4.01 121.76 127.65 1j9r s ALA 232 Ca 0.35 1.20 -0.11 0.00 0.00 0.00 0.00 51.96 53.40 1j9r s ALA 232 Cb 0.19 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1j9r s ALA 232 CO 0.26 -1.34 1.06 -1.64 0.00 0.00 0.00 175.76 174.10 1j9r s MET 233 N -3.12 2.96 0.13 0.00 -1.94 -0.23 -4.83 119.30 112.27 1j9r s MET 233 Ca 0.75 0.86 0.04 0.00 -1.71 0.00 0.00 55.69 55.63 1j9r s MET 233 Cb -0.36 -2.00 -0.04 0.00 2.01 0.00 0.00 34.83 34.43 1j9r s MET 233 CO 0.41 -1.05 -0.09 0.95 -0.01 0.00 0.00 175.02 175.22 1j9r s THR 234 N -3.10 1.02 0.22 2.05 -4.23 -1.26 -0.19 115.64 110.15 1j9r s THR 234 Ca 0.58 -1.94 -0.21 0.00 -1.18 0.00 0.00 61.69 58.93 1j9r s THR 234 Cb -0.13 -1.71 0.07 0.00 1.34 0.00 0.00 72.50 72.07 1j9r s THR 234 CO 0.55 -0.73 1.00 0.00 -0.54 0.00 0.00 174.62 174.89 1j9r s ALA 235 N -3.20 -1.44 0.04 3.99 0.00 -0.70 -4.90 121.76 115.54 1j9r s ALA 235 Ca 0.13 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 1j9r s ALA 235 Cb 0.02 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1j9r s ALA 235 CO -0.01 -1.05 0.00 0.00 0.00 0.00 0.00 175.76 174.70 1j9r s ALA 236 N -2.18 0.24 0.21 0.00 0.00 -1.26 -2.19 121.76 116.58 1j9r s ALA 236 Ca 0.21 -0.85 -0.32 0.00 0.00 0.00 0.00 51.96 51.00 1j9r s ALA 236 Cb -0.03 0.23 -0.14 0.00 0.00 0.00 0.00 23.12 23.18 1j9r s ALA 236 CO 0.06 -0.29 1.36 0.28 0.00 0.00 0.00 175.76 177.17 1j9r n VAL 237 N 0.75 0.81 0.00 0.00 0.31 -0.19 -0.93 118.33 119.08 1j9r n VAL 237 Ca -0.18 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1j9r n VAL 237 Cb 0.58 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 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 2.25 3.34 3.74 2.92 0.00 0.91 -4.98 105.19 113.37 1j9r n GLY 238 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.68 4.60 -0.24 1.61 2.12 -0.11 -4.76 118.70 121.25 1j9r s GLU 239 Ca 0.00 1.75 -0.13 0.00 0.36 0.00 0.00 54.97 56.95 1j9r s GLU 239 Cb 0.00 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.10 1j9r s GLU 239 CO 0.00 0.11 0.27 0.15 -0.54 0.00 0.00 175.26 175.25 1j9r s LYS 240 N -0.68 4.08 -0.05 4.30 1.02 -1.26 -2.15 119.74 124.99 1j9r s LYS 240 Ca 0.48 -0.09 0.05 0.00 0.02 0.00 0.00 55.97 56.43 1j9r s LYS 240 Cb -0.30 -3.57 -0.00 0.00 -0.52 0.00 0.00 37.83 33.43 1j9r s LYS 240 CO 0.37 -0.05 -0.19 0.08 -0.92 0.00 0.00 175.35 174.63 1j9r s VAL 241 N 1.39 1.57 -0.22 3.17 1.01 -0.02 0.34 120.40 127.64 1j9r s VAL 241 Ca 0.12 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 1j9r s VAL 241 Cb -0.15 -1.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1j9r s VAL 241 CO 0.07 0.45 0.05 -0.22 0.00 0.00 0.00 175.10 175.45 1j9r s LEU 242 N 0.01 3.51 -0.32 3.92 2.96 -0.57 -1.21 118.68 126.98 1j9r s LEU 242 Ca -0.04 -0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.68 1j9r s LEU 242 Cb -0.12 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.68 1j9r s LEU 242 CO 0.03 0.04 0.09 -0.63 -1.32 0.00 0.00 176.35 174.56 1j9r s ILE 243 N 1.14 3.80 -0.10 6.68 1.01 0.12 -1.65 121.20 132.20 1j9r s ILE 243 Ca 0.04 -0.99 -0.18 0.00 0.00 0.00 0.00 60.65 59.52 1j9r s ILE 243 Cb -0.14 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1j9r s ILE 243 CO 0.03 -0.08 0.47 -0.69 0.00 0.00 0.00 174.94 174.67 1j9r s VAL 244 N 1.43 5.16 -0.03 2.92 1.01 0.56 -1.60 120.40 129.85 1j9r s VAL 244 Ca -0.00 0.95 0.03 0.00 0.00 0.00 0.00 61.98 62.95 1j9r s VAL 244 Cb -0.19 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1j9r s VAL 244 CO 0.02 0.36 -0.11 -2.28 0.00 0.00 0.00 175.10 173.09 1j9r s HIS 245 N 0.40 1.16 0.10 5.22 2.46 -0.45 0.86 115.29 125.04 1j9r s HIS 245 Ca 0.26 -0.31 0.03 0.00 0.47 0.00 0.00 55.06 55.51 1j9r s HIS 245 Cb -0.15 -0.81 -0.04 0.00 -0.13 0.00 0.00 32.58 31.44 1j9r s HIS 245 CO 0.11 -0.12 -0.08 -1.54 -2.47 0.00 0.00 174.74 170.63 1j9r s SER 246 N 0.18 1.29 -0.29 9.88 1.04 -0.90 -0.33 113.70 124.57 1j9r s SER 246 Ca -0.04 -0.90 0.02 0.00 0.48 0.00 0.00 55.95 55.52 1j9r s SER 246 Cb -0.10 0.05 0.18 0.00 0.10 0.00 0.00 66.02 66.25 1j9r s SER 246 CO 0.01 -0.36 0.52 -1.58 0.98 0.00 0.00 173.24 172.81 1j9r s GLN 247 N -3.26 0.50 0.00 4.02 -0.44 -0.85 -1.22 119.66 118.41 1j9r s GLN 247 Ca 0.08 0.55 0.29 0.00 -2.50 0.00 0.00 55.36 53.78 1j9r s GLN 247 Cb 0.01 0.08 1.58 0.00 -1.64 0.00 0.00 33.01 33.04 1j9r s GLN 247 CO -0.02 -0.89 2.05 0.00 0.50 0.00 0.00 175.29 176.92 1j9r n ALA 248 N 5.40 2.49 0.00 1.58 0.00 -1.26 0.11 120.51 128.83 1j9r n ALA 248 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1j9r n ALA 248 Cb 0.52 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1j9r n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1j9r n ASN 249 N -1.19 1.04 -3.99 0.00 5.15 -1.26 -3.39 115.26 111.61 1j9r n ASN 249 Ca 0.17 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.04 1j9r n ASN 249 Cb 0.19 0.14 -0.12 0.00 -0.53 0.00 0.00 39.78 39.46 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 -0.96 0.35 0.77 1.20 3.52 -1.26 -4.64 118.95 117.94 1j9r s ARG 250 Ca 0.00 -0.57 -0.15 0.00 -0.13 0.00 0.00 55.73 54.88 1j9r s ARG 250 Cb 0.00 -0.06 0.04 0.00 -1.56 0.00 0.00 34.95 33.37 1j9r s ARG 250 CO 0.00 -0.00 1.04 -0.25 -0.81 0.00 0.00 175.30 175.27 1j9r n ASP 251 N 1.78 0.59 -3.80 -2.12 10.43 -1.26 -3.63 116.55 118.54 1j9r n ASP 251 Ca -0.22 0.62 -0.09 0.00 2.57 0.00 0.00 54.79 57.67 1j9r n ASP 251 Cb 0.56 -1.44 -0.07 0.00 1.84 0.00 0.00 41.12 42.01 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 -1.97 0.12 -0.42 -3.53 -1.32 -0.23 -4.82 115.64 103.48 1j9r s THR 252 Ca 0.73 -1.03 0.03 0.00 -1.21 0.00 0.00 61.69 60.21 1j9r s THR 252 Cb -0.32 -1.30 0.16 0.00 -1.51 0.00 0.00 72.50 69.54 1j9r s THR 252 CO 0.51 -0.56 0.32 0.00 -2.21 0.00 0.00 174.62 172.68 1j9r s ARG 253 N -3.85 0.94 0.37 7.08 1.70 -1.26 -1.24 118.95 122.69 1j9r s ARG 253 Ca 0.05 -2.02 -0.28 0.00 -0.47 0.00 0.00 55.73 53.00 1j9r s ARG 253 Cb 0.04 -1.54 -0.11 0.00 -0.57 0.00 0.00 34.95 32.76 1j9r s ARG 253 CO -0.11 -1.34 1.45 -2.30 -1.08 0.00 0.00 175.30 171.92 1j9r n PRO 254 N 3.06 2.57 -3.73 3.89 -0.02 -1.14 0.83 135.00 140.47 1j9r n PRO 254 Ca 0.25 0.90 -0.12 0.00 -2.02 0.00 0.00 63.50 62.51 1j9r n PRO 254 Cb 0.44 -2.61 -0.12 0.00 -0.02 0.00 0.00 33.50 31.20 1j9r n PRO 254 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1j9r s HIS 255 N -1.10 -0.41 -0.45 6.00 2.46 0.68 -2.08 115.29 120.39 1j9r s HIS 255 Ca 0.54 0.94 -0.15 0.00 0.47 0.00 0.00 55.06 56.86 1j9r s HIS 255 Cb -0.49 0.13 0.06 0.00 -0.13 0.00 0.00 32.58 32.14 1j9r s HIS 255 CO 0.63 -0.25 0.35 -1.17 -2.47 0.00 0.00 174.74 171.83 1j9r s LEU 256 N 1.05 5.40 -0.10 8.88 2.96 -1.26 -0.93 118.68 134.67 1j9r s LEU 256 Ca -0.07 -1.20 -0.29 0.00 -0.22 0.00 0.00 54.13 52.34 1j9r s LEU 256 Cb -0.08 -2.15 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 1j9r s LEU 256 CO -0.08 -0.57 1.68 -0.63 -1.32 0.00 0.00 176.35 175.43 1j9r s ILE 257 N 1.63 3.57 0.00 6.68 1.01 0.73 -1.37 121.20 133.46 1j9r s ILE 257 Ca 0.04 0.68 0.00 0.00 0.00 0.00 0.00 60.65 61.37 1j9r s ILE 257 Cb -0.22 -3.49 0.00 0.00 0.01 0.00 0.00 42.46 38.75 1j9r s ILE 257 CO 0.07 -0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.50 1j9r n GLY 258 N 4.35 0.32 0.00 6.18 0.00 -1.26 -3.82 105.19 110.96 1j9r n GLY 258 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.00 5.69 3.70 -0.02 0.00 -0.47 -5.00 105.19 107.09 1j9r n GLY 259 Ca 0.00 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 1j9r n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j9r s HIS 260 N 0.90 0.45 -0.48 1.61 0.09 -1.26 -4.75 115.29 111.85 1j9r s HIS 260 Ca 0.00 -0.97 -0.06 0.00 -0.00 0.00 0.00 55.06 54.03 1j9r s HIS 260 Cb 0.00 0.51 0.13 0.00 -0.00 0.00 0.00 32.58 33.22 1j9r s HIS 260 CO 0.00 -1.42 0.32 0.20 -0.00 0.00 0.00 174.74 173.84 1j9r s GLY 261 N -3.13 2.11 0.22 -2.22 0.00 -0.32 -4.74 107.32 99.24 1j9r s GLY 261 Ca 0.21 -2.68 -0.09 0.00 0.00 0.00 0.00 44.72 42.17 1j9r s GLY 261 CO 0.15 1.08 1.86 -0.55 0.00 0.00 0.00 173.10 175.64 1j9r h ASP 262 N 8.06 0.81 -3.31 1.64 3.32 -1.51 -0.75 116.42 124.68 1j9r h ASP 262 Ca -0.14 -0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.48 1j9r h ASP 262 Cb 1.04 -0.18 -0.37 0.00 0.22 0.00 0.00 39.33 40.05 1j9r h ASP 262 CO 0.77 0.56 -0.77 -0.31 -1.72 0.00 0.00 179.24 177.78 1j9r s TYR 263 N -6.11 0.71 -0.11 4.55 1.51 -0.95 -1.72 117.35 115.22 1j9r s TYR 263 Ca -0.13 -0.19 -0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1j9r s TYR 263 Cb 0.16 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 41.27 1j9r s TYR 263 CO 0.78 -0.29 -0.08 0.08 -1.11 0.00 0.00 175.55 174.93 1j9r s VAL 264 N 1.66 1.02 -1.11 0.71 1.01 0.47 -0.28 120.40 123.87 1j9r s VAL 264 Ca 0.00 -0.29 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 1j9r s VAL 264 Cb -0.13 -1.04 0.18 0.00 0.00 0.00 0.00 36.38 35.39 1j9r s VAL 264 CO -0.04 0.37 1.28 0.26 0.00 0.00 0.00 175.10 176.97 1j9r s TRP 265 N 1.70 3.56 0.43 5.22 0.51 0.14 -0.11 118.94 130.38 1j9r s TRP 265 Ca 0.05 -2.06 0.10 0.00 -2.12 0.00 0.00 56.10 52.07 1j9r s TRP 265 Cb -0.13 -4.21 0.95 0.00 -0.81 0.00 0.00 33.47 29.28 1j9r s TRP 265 CO -0.08 -1.32 2.05 0.00 -0.51 0.00 0.00 176.95 177.09 1j9r h ALA 266 N 7.47 1.82 -0.01 0.98 0.00 -1.89 0.38 119.26 128.01 1j9r h ALA 266 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1j9r h ALA 266 Cb 0.92 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1j9r h ALA 266 CO 1.15 0.13 -0.12 0.25 0.00 0.00 0.00 179.25 180.66 1j9r n THR 267 N -4.48 0.00 -0.80 0.00 -2.24 -1.26 -4.53 114.28 100.97 1j9r n THR 267 Ca 0.04 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1j9r n THR 267 Cb 0.14 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 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 1.26 0.89 3.52 3.38 0.00 0.07 -4.75 105.19 109.55 1j9r n GLY 268 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.23 3.80 0.56 1.61 -0.14 -1.26 -0.11 119.74 123.98 1j9r s LYS 269 Ca 0.00 -0.40 0.32 0.00 -1.36 0.00 0.00 55.97 54.53 1j9r s LYS 269 Cb 0.00 -3.47 1.69 0.00 -1.68 0.00 0.00 37.83 34.37 1j9r s LYS 269 CO 0.00 -0.16 2.14 0.74 -0.76 0.00 0.00 175.35 177.31 1j9r h PHE 270 N 8.23 0.00 -0.04 3.18 0.05 -1.87 -1.83 116.94 124.66 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 1.18 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.13 1j9r h PHE 270 CO 0.71 0.06 0.00 0.09 -0.18 0.00 0.00 178.31 178.99 1j9r n ASN 271 N -3.46 0.69 -4.37 2.17 3.02 -1.26 -4.58 115.26 107.47 1j9r n ASN 271 Ca -0.02 -1.38 -0.38 0.00 -0.03 0.00 0.00 54.58 52.77 1j9r n ASN 271 Cb 0.20 -0.02 -0.12 0.00 -0.61 0.00 0.00 39.78 39.22 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 -1.96 4.26 0.16 3.41 2.01 -0.69 -5.06 115.64 117.78 1j9r s THR 272 Ca 0.37 -0.72 -0.32 0.00 0.31 0.00 0.00 61.69 61.32 1j9r s THR 272 Cb 0.18 -3.27 -0.17 0.00 0.01 0.00 0.00 72.50 69.26 1j9r s THR 272 CO 0.30 -0.04 0.96 -2.65 -0.69 0.00 0.00 174.62 172.50 1j9r n PRO 273 N 4.92 0.66 -2.49 4.92 -0.02 -1.26 -4.85 135.00 136.87 1j9r n PRO 273 Ca -0.13 0.23 -0.33 0.00 -2.02 0.00 0.00 63.50 61.25 1j9r n PRO 273 Cb 0.47 -1.59 -0.04 0.00 -0.02 0.00 0.00 33.50 32.33 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 -0.60 3.87 0.69 0.52 0.04 -1.26 -4.93 135.00 133.33 1j9r s PRO 274 Ca 0.73 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.82 1j9r s PRO 274 Cb -0.94 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 31.49 1j9r s PRO 274 CO 0.55 -0.35 1.07 -0.51 0.04 0.00 0.00 177.00 177.80 1j9r s ASP 275 N -2.46 5.58 0.21 6.66 1.01 0.84 -4.74 116.67 123.77 1j9r s ASP 275 Ca 0.63 1.35 0.06 0.00 0.71 0.00 0.00 52.55 55.31 1j9r s ASP 275 Cb -0.13 -2.25 -0.05 0.00 1.01 0.00 0.00 42.92 41.51 1j9r s ASP 275 CO 0.24 -1.28 -0.11 0.68 0.21 0.00 0.00 175.17 174.91 1j9r s VAL 276 N -3.21 1.53 -1.28 -1.27 -7.23 -1.26 -0.40 120.40 107.28 1j9r s VAL 276 Ca 0.57 -2.15 -0.07 0.00 -1.81 0.00 0.00 61.98 58.52 1j9r s VAL 276 Cb -0.12 -2.10 0.05 0.00 0.56 0.00 0.00 36.38 34.77 1j9r s VAL 276 CO 0.54 -0.55 0.44 0.47 -0.31 0.00 0.00 175.10 175.68 1j9r n ASP 277 N -0.38 -4.07 -4.76 4.85 10.43 -0.70 -4.91 116.55 117.01 1j9r n ASP 277 Ca -0.08 -0.29 -0.41 0.00 2.57 0.00 0.00 54.79 56.59 1j9r n ASP 277 Cb 0.61 -3.37 -0.03 0.00 1.84 0.00 0.00 41.12 40.18 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 -5.83 4.49 -0.21 -1.24 -1.52 -0.30 -4.84 119.66 110.21 1j9r s GLN 278 Ca 0.33 2.02 -0.11 0.00 -1.95 0.00 0.00 55.36 55.64 1j9r s GLN 278 Cb -0.17 -3.14 -0.19 0.00 -0.22 0.00 0.00 33.01 29.29 1j9r s GLN 278 CO 0.41 -0.02 0.03 -0.85 -0.25 0.00 0.00 175.29 174.61 1j9r n GLU 279 N 1.16 0.64 -3.67 2.91 0.28 -1.26 -1.17 120.64 119.52 1j9r n GLU 279 Ca 0.00 0.34 -0.15 0.00 -0.16 0.00 0.00 57.16 57.19 1j9r n GLU 279 Cb 0.43 -1.63 -0.14 0.00 1.43 0.00 0.00 31.44 31.53 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 -0.31 0.50 3.84 2.01 -1.26 -4.39 115.64 113.55 1j9r s THR 280 Ca -0.31 0.30 0.08 0.00 0.31 0.00 0.00 61.69 62.08 1j9r s THR 280 Cb 0.09 -0.37 0.04 0.00 0.01 0.00 0.00 72.50 72.27 1j9r s THR 280 CO 0.62 0.12 0.63 -1.66 -0.69 0.00 0.00 174.62 173.64 1j9r s TRP 281 N 2.22 2.09 -0.05 4.92 -2.14 -0.88 -4.98 118.94 120.12 1j9r s TRP 281 Ca 0.01 -0.59 0.02 0.00 2.66 0.00 0.00 56.10 58.20 1j9r s TRP 281 Cb -0.12 -2.24 0.02 0.00 -3.10 0.00 0.00 33.47 28.02 1j9r s TRP 281 CO -0.07 -0.71 -0.09 0.12 -2.66 0.00 0.00 176.95 173.54 1j9r s PHE 282 N -2.54 1.13 -0.17 1.66 5.36 -1.26 -2.87 117.98 119.29 1j9r s PHE 282 Ca 0.55 -0.38 0.01 0.00 -0.96 0.00 0.00 56.93 56.15 1j9r s PHE 282 Cb -0.07 -0.87 0.03 0.00 -0.34 0.00 0.00 43.02 41.77 1j9r s PHE 282 CO 0.34 -0.22 -0.12 0.42 -1.46 0.00 0.00 175.22 174.17 1j9r s ILE 283 N 0.70 1.62 0.50 3.12 1.01 -0.37 -4.71 121.20 123.08 1j9r s ILE 283 Ca -0.12 -0.83 -0.19 0.00 0.00 0.00 0.00 60.65 59.51 1j9r s ILE 283 Cb -0.15 -1.61 -0.08 0.00 0.01 0.00 0.00 42.46 40.64 1j9r s ILE 283 CO 0.02 0.32 1.03 -2.16 0.00 0.00 0.00 174.94 174.15 1j9r s PRO 284 N 1.44 3.75 0.23 2.79 0.04 -1.26 -1.06 135.00 140.92 1j9r s PRO 284 Ca 0.02 1.28 -0.31 0.00 0.04 0.00 0.00 61.00 62.02 1j9r s PRO 284 Cb -0.14 -2.09 -0.14 0.00 0.04 0.00 0.00 34.50 32.16 1j9r s PRO 284 CO -0.10 -0.46 1.25 0.41 0.04 0.00 0.00 177.00 178.14 1j9r n GLY 285 N -0.54 0.33 1.00 0.56 0.00 -1.24 -2.09 105.19 103.22 1j9r n GLY 285 Ca 0.09 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 1.86 0.77 3.50 -0.02 0.00 0.12 -4.79 105.19 106.63 1j9r n GLY 286 Ca 0.12 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.13 0.08 4.61 0.00 -0.89 -4.80 121.76 118.63 1j9r s ALA 287 Ca 0.00 -0.89 0.09 0.00 0.00 0.00 0.00 51.96 51.15 1j9r s ALA 287 Cb 0.00 1.04 -0.03 0.00 0.00 0.00 0.00 23.12 24.13 1j9r s ALA 287 CO 0.00 -0.79 -0.22 0.00 0.00 0.00 0.00 175.76 174.75 1j9r s ALA 288 N -4.01 1.94 0.30 0.00 0.00 -1.26 -2.00 121.76 116.72 1j9r s ALA 288 Ca 0.22 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1j9r s ALA 288 Cb 0.01 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 1j9r s ALA 288 CO 0.07 0.42 0.11 0.20 0.00 0.00 0.00 175.76 176.56 1j9r s GLY 289 N -1.62 1.96 -0.13 0.00 0.00 0.55 -3.11 107.32 104.97 1j9r s GLY 289 Ca 0.09 -1.81 -0.12 0.00 0.00 0.00 0.00 44.72 42.88 1j9r s GLY 289 CO 0.03 -1.65 0.35 0.00 0.00 0.00 0.00 173.10 171.83 1j9r s ALA 290 N -3.59 -0.86 -0.01 3.20 0.00 -0.89 -1.34 121.76 118.27 1j9r s ALA 290 Ca 0.36 1.02 0.06 0.00 0.00 0.00 0.00 51.96 53.40 1j9r s ALA 290 Cb 0.07 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1j9r s ALA 290 CO 0.15 -0.17 -0.18 0.00 0.00 0.00 0.00 175.76 175.55 1j9r s ALA 291 N 0.32 1.53 -0.14 0.00 0.00 -0.63 -0.69 121.76 122.16 1j9r s ALA 291 Ca -0.01 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 1j9r s ALA 291 Cb -0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 1j9r s ALA 291 CO -0.01 0.37 -0.12 0.12 0.00 0.00 0.00 175.76 176.13 1j9r s PHE 292 N -0.43 2.83 -0.06 0.00 2.19 0.61 0.14 117.98 123.26 1j9r s PHE 292 Ca 0.07 -0.69 -0.06 0.00 0.33 0.00 0.00 56.93 56.58 1j9r s PHE 292 Cb -0.07 -1.88 0.02 0.00 -1.31 0.00 0.00 43.02 39.78 1j9r s PHE 292 CO -0.01 -0.26 0.17 -0.47 1.83 0.00 0.00 175.22 176.49 1j9r s TYR 293 N 0.49 -0.19 -0.29 10.12 5.04 -0.35 -1.35 117.35 130.82 1j9r s TYR 293 Ca -0.08 0.46 -0.07 0.00 -2.44 0.00 0.00 57.07 54.93 1j9r s TYR 293 Cb -0.16 0.06 0.00 0.00 0.35 0.00 0.00 41.96 42.22 1j9r s TYR 293 CO 0.04 -0.09 0.08 0.99 -1.34 0.00 0.00 175.55 175.23 1j9r s THR 294 N 0.11 4.06 0.34 4.34 2.01 -1.26 -0.84 115.64 124.40 1j9r s THR 294 Ca -0.00 -0.61 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 1j9r s THR 294 Cb -0.01 -3.06 -0.10 0.00 0.01 0.00 0.00 72.50 69.33 1j9r s THR 294 CO 0.00 0.11 1.34 -0.36 -0.69 0.00 0.00 174.62 175.03 1j9r s PHE 295 N 1.52 2.95 0.00 4.92 0.40 -0.91 -4.87 117.98 121.99 1j9r s PHE 295 Ca 0.03 1.36 0.00 0.00 -0.60 0.00 0.00 56.93 57.73 1j9r s PHE 295 Cb -0.17 -3.75 0.00 0.00 0.51 0.00 0.00 43.02 39.61 1j9r s PHE 295 CO 0.03 -2.10 0.05 1.04 0.70 0.00 0.00 175.22 174.95 1j9r n GLN 296 N 0.72 4.75 -4.10 0.44 1.13 -1.26 -0.06 117.38 118.99 1j9r n GLN 296 Ca 0.00 -0.05 -0.15 0.00 -1.94 0.00 0.00 57.00 54.86 1j9r n GLN 296 Cb 0.41 -0.47 -0.14 0.00 0.11 0.00 0.00 30.24 30.15 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 -0.69 0.36 0.81 -1.09 -1.52 -1.26 -4.59 119.66 111.68 1j9r s GLN 297 Ca 0.00 -0.21 -0.09 0.00 -1.95 0.00 0.00 55.36 53.11 1j9r s GLN 297 Cb 0.00 -0.32 0.13 0.00 -0.22 0.00 0.00 33.01 32.59 1j9r s GLN 297 CO 0.00 0.09 1.13 -1.25 -0.25 0.00 0.00 175.29 175.01 1j9r s PRO 298 N -0.24 1.50 0.00 2.91 0.04 -1.26 -4.77 135.00 133.17 1j9r s PRO 298 Ca 0.00 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 60.57 1j9r s PRO 298 Cb -0.02 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1j9r s PRO 298 CO -0.00 -1.74 0.00 0.41 0.04 0.00 0.00 177.00 175.71 1j9r n GLY 299 N -3.24 -0.45 3.76 0.56 0.00 0.17 -4.93 105.19 101.05 1j9r n GLY 299 Ca 0.12 -2.27 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.80 5.01 0.16 -0.61 2.07 -1.26 -1.28 121.20 124.49 1j9r s ILE 300 Ca 0.00 1.13 0.11 0.00 -1.41 0.00 0.00 60.65 60.47 1j9r s ILE 300 Cb 0.00 -3.88 -0.04 0.00 0.13 0.00 0.00 42.46 38.67 1j9r s ILE 300 CO 0.00 0.40 -0.23 -0.31 -1.91 0.00 0.00 174.94 172.89 1j9r s TYR 301 N -0.01 2.37 -0.01 3.50 1.51 0.01 -4.97 117.35 119.75 1j9r s TYR 301 Ca 0.29 -0.34 0.04 0.00 -1.01 0.00 0.00 57.07 56.05 1j9r s TYR 301 Cb -0.17 -1.22 -0.03 0.00 -0.11 0.00 0.00 41.96 40.43 1j9r s TYR 301 CO 0.15 0.43 -0.13 0.00 -1.11 0.00 0.00 175.55 174.89 1j9r s ALA 302 N -1.37 2.76 -0.17 3.71 0.00 -1.25 -0.61 121.76 124.84 1j9r s ALA 302 Ca 0.18 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 51.10 1j9r s ALA 302 Cb -0.09 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.09 1j9r s ALA 302 CO 0.09 0.58 -0.19 -0.47 0.00 0.00 0.00 175.76 175.77 1j9r s TYR 303 N -0.88 2.64 0.17 0.00 5.04 0.61 -0.19 117.35 124.74 1j9r s TYR 303 Ca 0.14 -1.51 -0.01 0.00 -2.44 0.00 0.00 57.07 53.25 1j9r s TYR 303 Cb -0.11 -1.84 -0.04 0.00 0.35 0.00 0.00 41.96 40.33 1j9r s TYR 303 CO 0.04 -0.75 0.10 0.14 -1.34 0.00 0.00 175.55 173.74 1j9r s VAL 304 N 1.24 0.05 -0.23 3.14 -7.23 -0.11 0.04 120.40 117.30 1j9r s VAL 304 Ca 0.03 -1.95 -0.23 0.00 -1.81 0.00 0.00 61.98 58.02 1j9r s VAL 304 Cb -0.13 -2.27 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 1j9r s VAL 304 CO -0.11 -0.22 0.77 0.21 -0.31 0.00 0.00 175.10 175.44 1j9r s ASN 305 N -3.10 6.78 0.00 4.85 3.84 -1.07 -0.23 114.94 126.00 1j9r s ASN 305 Ca 0.32 0.96 0.00 0.00 0.21 0.00 0.00 52.86 54.35 1j9r s ASN 305 Cb 0.07 -2.41 0.00 0.00 -0.55 0.00 0.00 41.25 38.36 1j9r s ASN 305 CO 0.07 -0.45 0.64 1.57 -2.79 0.00 0.00 177.10 176.13 1j9r n HIS 306 N 5.79 0.00 -3.32 0.43 -0.00 0.24 -3.91 115.22 114.46 1j9r n HIS 306 Ca 0.04 -0.24 -0.44 0.00 -0.00 0.00 0.00 57.72 57.08 1j9r n HIS 306 Cb 0.48 -0.16 -0.08 0.00 -0.00 0.00 0.00 29.99 30.23 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 0.51 6.18 0.63 0.26 3.84 -1.26 -4.93 114.94 120.17 1j9r s ASN 307 Ca 0.00 -0.95 0.36 0.00 0.21 0.00 0.00 52.86 52.48 1j9r s ASN 307 Cb 0.00 -2.22 2.08 0.00 -0.55 0.00 0.00 41.25 40.56 1j9r s ASN 307 CO 0.00 -0.66 2.30 -0.07 -2.79 0.00 0.00 177.10 175.88 1j9r h LEU 308 N 9.07 0.00 -0.23 3.21 3.38 -1.99 -0.76 115.31 127.99 1j9r h LEU 308 Ca -0.27 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.59 1j9r h LEU 308 Cb 1.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 1j9r h LEU 308 CO 0.85 0.00 -0.29 0.40 0.09 0.00 0.00 178.44 179.50 1j9r h ILE 309 N 0.00 1.32 -0.64 1.22 2.04 -1.91 0.81 117.51 120.35 1j9r h ILE 309 Ca 0.00 -1.48 -0.07 0.00 1.00 0.00 0.00 64.86 64.32 1j9r h ILE 309 Cb 0.04 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1j9r h ILE 309 CO -0.00 0.46 0.12 -0.33 0.00 0.00 0.00 178.15 178.40 1j9r h GLU 310 N 0.29 1.03 0.30 2.37 5.08 -1.51 0.24 114.58 122.38 1j9r h GLU 310 Ca 0.03 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1j9r h GLU 310 Cb 0.86 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1j9r h GLU 310 CO 0.07 0.94 -0.14 0.00 -1.00 0.00 0.00 179.01 178.87 1j9r h ALA 311 N 1.15 -0.40 0.00 3.43 0.00 -1.09 -1.64 119.26 120.70 1j9r h ALA 311 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j9r h ALA 311 Cb 0.40 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1j9r h ALA 311 CO 0.01 -0.55 -1.53 1.19 0.00 0.00 0.00 179.25 178.37 1j9r n PHE 312 N -5.12 0.29 -0.11 0.00 3.01 0.26 -2.14 117.46 113.66 1j9r n PHE 312 Ca -0.09 0.08 -0.14 0.00 1.01 0.00 0.00 57.45 58.32 1j9r n PHE 312 Cb 0.26 -0.58 -0.12 0.00 -0.01 0.00 0.00 39.48 39.03 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 -2.27 0.74 0.01 -1.08 -0.58 0.78 -4.65 120.64 113.58 1j9r n GLU 313 Ca -0.02 0.08 0.11 0.00 -0.42 0.00 0.00 57.16 56.91 1j9r n GLU 313 Cb 0.53 -1.47 -0.00 0.00 -0.57 0.00 0.00 31.44 29.92 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 0.69 0.00 -4.62 4.32 -0.72 -5.01 117.00 108.66 1j9r n LEU 314 Ca -0.37 -0.20 0.00 0.00 -0.02 0.00 0.00 56.01 55.42 1j9r n LEU 314 Cb 1.01 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.72 1j9r n LEU 314 CO 0.30 0.13 0.00 0.61 -1.22 0.00 0.00 177.39 177.21 1j9r n GLY 315 N 1.44 0.84 2.45 -0.72 0.00 -0.97 -1.32 105.19 106.90 1j9r n GLY 315 Ca 0.03 0.00 -0.40 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 -0.69 6.98 -3.68 4.61 0.00 0.11 -4.24 120.51 123.59 1j9r n ALA 316 Ca 0.00 -3.79 -0.13 0.00 0.00 0.00 0.00 53.44 49.52 1j9r n ALA 316 Cb 0.00 -3.19 -0.14 0.00 0.00 0.00 0.00 19.45 16.12 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 1.19 -0.30 0.38 0.00 0.00 -1.24 -2.61 121.76 119.18 1j9r s ALA 317 Ca 0.61 0.69 0.07 0.00 0.00 0.00 0.00 51.96 53.32 1j9r s ALA 317 Cb 0.17 -0.45 -0.07 0.00 0.00 0.00 0.00 23.12 22.76 1j9r s ALA 317 CO -0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 175.76 175.53 1j9r s ALA 318 N 1.09 2.97 0.07 0.00 0.00 0.11 -4.48 121.76 121.52 1j9r s ALA 318 Ca -0.08 -2.21 0.06 0.00 0.00 0.00 0.00 51.96 49.72 1j9r s ALA 318 Cb -0.11 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1j9r s ALA 318 CO -0.06 -0.11 -0.16 -1.01 0.00 0.00 0.00 175.76 174.42 1j9r s HIS 319 N -2.79 1.42 -0.11 0.00 3.76 -0.45 -0.28 115.29 116.85 1j9r s HIS 319 Ca 0.34 -0.42 0.03 0.00 -0.15 0.00 0.00 55.06 54.86 1j9r s HIS 319 Cb 0.08 -0.80 0.01 0.00 1.11 0.00 0.00 32.58 32.98 1j9r s HIS 319 CO 0.17 0.10 -0.21 -0.06 -0.85 0.00 0.00 174.74 173.89 1j9r s PHE 320 N -1.13 2.35 -0.27 1.40 0.08 0.22 -1.07 117.98 119.56 1j9r s PHE 320 Ca 0.02 -1.03 -0.12 0.00 0.12 0.00 0.00 56.93 55.92 1j9r s PHE 320 Cb -0.09 -1.61 -0.05 0.00 -0.57 0.00 0.00 43.02 40.70 1j9r s PHE 320 CO 0.03 -0.45 0.22 0.15 -0.10 0.00 0.00 175.22 175.06 1j9r s LYS 321 N 0.58 3.99 -0.15 0.44 1.02 0.74 -0.81 119.74 125.54 1j9r s LYS 321 Ca -0.14 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 55.62 1j9r s LYS 321 Cb -0.17 -3.64 0.02 0.00 -0.52 0.00 0.00 37.83 33.52 1j9r s LYS 321 CO 0.04 -0.15 -0.19 0.08 -0.92 0.00 0.00 175.35 174.21 1j9r s VAL 322 N 1.68 1.91 0.39 3.17 1.01 -0.40 -1.72 120.40 126.44 1j9r s VAL 322 Ca 0.09 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1j9r s VAL 322 Cb -0.16 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1j9r s VAL 322 CO 0.10 0.52 0.62 0.42 0.00 0.00 0.00 175.10 176.76 1j9r s THR 323 N 1.10 5.04 0.00 3.92 -4.23 -0.93 0.43 115.64 120.97 1j9r s THR 323 Ca -0.01 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 1j9r s THR 323 Cb -0.14 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.84 1j9r s THR 323 CO -0.07 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 173.97 1j9r n GLY 324 N -1.92 1.58 3.76 3.99 0.00 -1.26 -1.02 105.19 110.31 1j9r n GLY 324 Ca -0.03 -1.94 -0.39 0.00 0.00 0.00 0.00 46.02 43.65 1j9r n GLY 324 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j9r s GLU 325 N -1.27 4.39 0.36 1.61 2.02 -1.26 -4.65 118.70 119.90 1j9r s GLU 325 Ca 0.00 0.87 -0.27 0.00 0.02 0.00 0.00 54.97 55.59 1j9r s GLU 325 Cb 0.00 -3.35 -0.09 0.00 0.10 0.00 0.00 34.13 30.79 1j9r s GLU 325 CO 0.00 0.33 1.22 -0.46 0.02 0.00 0.00 175.26 176.37 1j9r s TRP 326 N -0.13 3.12 -0.40 1.61 -0.11 -1.26 -4.48 118.94 117.28 1j9r s TRP 326 Ca 0.34 1.51 -0.08 0.00 1.22 0.00 0.00 56.10 59.09 1j9r s TRP 326 Cb -0.19 -3.51 0.08 0.00 -1.50 0.00 0.00 33.47 28.35 1j9r s TRP 326 CO 0.20 -1.47 0.23 1.21 -4.62 0.00 0.00 176.95 172.50 1j9r s ASN 327 N -0.82 5.54 0.36 5.86 3.84 -1.26 -4.95 114.94 123.51 1j9r s ASN 327 Ca 0.52 -1.50 0.27 0.00 0.21 0.00 0.00 52.86 52.36 1j9r s ASN 327 Cb -0.35 -1.95 0.93 0.00 -0.55 0.00 0.00 41.25 39.33 1j9r s ASN 327 CO 0.45 -0.50 1.78 0.44 -2.79 0.00 0.00 177.10 176.48 1j9r h ASP 328 N 8.34 0.00 -0.22 -4.21 5.19 -1.95 -2.55 116.42 121.01 1j9r h ASP 328 Ca -0.22 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 56.07 1j9r h ASP 328 Cb 1.08 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.59 1j9r h ASP 328 CO 0.73 0.00 -0.33 -0.78 -3.12 0.00 0.00 179.24 175.73 1j9r h ASP 329 N 0.00 0.67 -0.08 6.45 -0.00 -2.02 -3.18 116.42 118.26 1j9r h ASP 329 Ca 0.00 -0.52 -0.17 0.00 -0.00 0.00 0.00 57.03 56.34 1j9r h ASP 329 Cb 0.61 -0.19 -0.00 0.00 -0.00 0.00 0.00 39.33 39.75 1j9r h ASP 329 CO 0.00 1.06 -0.55 -0.07 -0.00 0.00 0.00 179.24 179.69 1j9r h LEU 330 N 0.30 0.74 -7.00 2.28 3.38 -1.96 -3.46 115.31 109.59 1j9r h LEU 330 Ca 0.02 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1j9r h LEU 330 Cb 0.92 -0.21 -0.22 0.00 0.09 0.00 0.00 40.66 41.24 1j9r h LEU 330 CO 0.08 1.14 0.19 -0.32 0.09 0.00 0.00 178.44 179.61 1j9r s MET 331 N -4.04 0.78 -0.10 1.13 0.00 -0.97 -5.14 119.30 110.95 1j9r s MET 331 Ca -0.08 0.93 -0.24 0.00 0.00 0.00 0.00 55.69 56.30 1j9r s MET 331 Cb 0.11 0.38 0.06 0.00 0.00 0.00 0.00 34.83 35.38 1j9r s MET 331 CO 0.86 -0.09 0.57 -0.08 0.00 0.00 0.00 175.02 176.27 1j9r s THR 332 N 0.35 0.01 -0.68 10.11 -1.32 -1.25 -3.87 115.64 118.99 1j9r s THR 332 Ca 0.01 -0.10 -0.22 0.00 -1.21 0.00 0.00 61.69 60.16 1j9r s THR 332 Cb -0.05 -0.85 0.08 0.00 -1.51 0.00 0.00 72.50 70.16 1j9r s THR 332 CO -0.00 -0.06 0.98 -0.55 -2.21 0.00 0.00 174.62 172.78 1j9r s SER 333 N -0.68 6.21 0.13 8.08 0.15 -1.26 -4.89 113.70 121.44 1j9r s SER 333 Ca -0.08 -1.09 -0.17 0.00 0.70 0.00 0.00 55.95 55.31 1j9r s SER 333 Cb -0.03 -2.42 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 1j9r s SER 333 CO 0.05 -1.41 1.75 0.58 1.20 0.00 0.00 173.24 175.42 1j9r h VAL 334 N 5.97 1.12 -3.27 4.45 2.07 -2.02 -3.39 116.25 121.18 1j9r h VAL 334 Ca -0.25 -0.30 -0.51 0.00 0.82 0.00 0.00 66.70 66.47 1j9r h VAL 334 Cb 1.07 0.72 -0.40 0.00 -1.52 0.00 0.00 31.29 31.16 1j9r h VAL 334 CO 1.18 0.12 -0.76 -0.22 0.02 0.00 0.00 177.57 177.90 1j9r s LEU 335 N -10.04 1.14 0.81 2.57 2.96 -1.26 -5.13 118.68 109.72 1j9r s LEU 335 Ca -0.13 -0.74 -0.12 0.00 -0.22 0.00 0.00 54.13 52.91 1j9r s LEU 335 Cb 0.10 -0.59 0.08 0.00 0.50 0.00 0.00 46.19 46.28 1j9r s LEU 335 CO 0.72 -0.29 1.17 0.00 -1.32 0.00 0.00 176.35 176.62 1j9r s ALA 336 N 1.86 1.89 -0.02 5.97 0.00 -1.26 -4.83 121.76 125.37 1j9r s ALA 336 Ca -0.00 0.68 -0.38 0.00 0.00 0.00 0.00 51.96 52.25 1j9r s ALA 336 Cb -0.17 -3.43 -0.16 0.00 0.00 0.00 0.00 23.12 19.36 1j9r s ALA 336 CO -0.08 -2.21 1.45 -2.30 0.00 0.00 0.00 175.76 172.63 1j9r n PRO 337 N -3.43 1.13 -3.46 0.00 -0.02 -1.26 -4.93 135.00 123.03 1j9r n PRO 337 Ca 0.12 0.41 -0.13 0.00 -2.02 0.00 0.00 63.50 61.88 1j9r n PRO 337 Cb 0.51 -2.06 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 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 1.38 -0.55 0.00 2.55 1.04 -1.26 -5.29 113.70 111.57 1j9r s SER 338 Ca 0.89 0.09 0.00 0.00 0.48 0.00 0.00 55.95 57.40 1j9r s SER 338 Cb -0.99 0.58 0.00 0.00 0.10 0.00 0.00 66.02 65.70 1j9r s SER 338 CO 0.53 -0.90 0.13 0.61 0.98 0.00 0.00 173.24 174.58