#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j9s s THR 5 N 0.00 2.35 0.33 0.00 -4.23 -1.26 -4.87 115.64 107.96 1j9s s THR 5 Ca 0.00 -0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.36 1j9s s THR 5 Cb 0.00 -3.05 0.27 0.00 1.34 0.00 0.00 72.50 71.07 1j9s s THR 5 CO 0.00 -0.05 1.97 0.00 -0.54 0.00 0.00 174.62 176.00 1j9s h ALA 6 N -0.67 1.54 -0.20 3.99 0.00 -2.05 -1.46 119.26 120.42 1j9s h ALA 6 Ca -0.45 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1j9s h ALA 6 Cb 1.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1j9s h ALA 6 CO 0.62 0.39 0.04 0.00 0.00 0.00 0.00 179.25 180.30 1j9s h ALA 7 N 1.56 0.26 -0.73 0.00 0.00 -1.99 -1.06 119.26 117.30 1j9s h ALA 7 Ca 0.29 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1j9s h ALA 7 Cb 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1j9s h ALA 7 CO -0.08 -0.09 0.44 0.93 0.00 0.00 0.00 179.25 180.45 1j9s h GLU 8 N 0.13 0.99 -0.28 0.00 5.08 -1.79 -2.26 114.58 116.45 1j9s h GLU 8 Ca 0.06 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1j9s h GLU 8 Cb 0.29 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1j9s h GLU 8 CO 0.00 0.70 -0.18 0.82 -1.00 0.00 0.00 179.01 179.34 1j9s h ILE 9 N 1.01 1.30 0.00 3.13 2.04 -1.12 -2.84 117.51 121.04 1j9s h ILE 9 Ca 0.26 -1.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.81 1j9s h ILE 9 Cb -0.04 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1j9s h ILE 9 CO -0.05 0.42 -0.00 0.00 0.00 0.00 0.00 178.15 178.52 1j9s h ALA 10 N 0.73 1.29 0.00 1.87 0.00 -0.65 -0.93 119.26 121.57 1j9s h ALA 10 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1j9s h ALA 10 Cb 0.72 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1j9s h ALA 10 CO 0.05 0.00 -0.62 0.00 0.00 0.00 0.00 179.25 178.68 1j9s n ALA 11 N -2.22 3.16 -1.76 0.00 0.00 -0.91 -4.94 120.51 113.84 1j9s n ALA 11 Ca -0.03 -0.29 -0.37 0.00 0.00 0.00 0.00 53.44 52.75 1j9s n ALA 11 Cb 0.08 -1.14 0.03 0.00 0.00 0.00 0.00 19.45 18.41 1j9s n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1j9s s LEU 12 N -3.79 3.82 0.65 0.00 1.43 -0.36 -4.96 118.68 115.47 1j9s s LEU 12 Ca 0.08 2.50 -0.16 0.00 -1.03 0.00 0.00 54.13 55.51 1j9s s LEU 12 Cb 0.15 -4.39 -0.00 0.00 0.03 0.00 0.00 46.19 41.97 1j9s s LEU 12 CO 0.72 -1.41 1.17 -2.16 0.23 0.00 0.00 176.35 174.89 1j9s s PRO 13 N -3.01 2.71 0.02 1.29 0.04 -1.26 -4.73 135.00 130.05 1j9s s PRO 13 Ca 0.72 1.64 0.08 0.00 0.04 0.00 0.00 61.00 63.48 1j9s s PRO 13 Cb -0.34 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.26 1j9s s PRO 13 CO 0.39 -1.37 -0.25 1.03 0.04 0.00 0.00 177.00 176.84 1j9s s ARG 14 N -3.74 1.86 -0.08 4.56 0.52 -1.26 -1.24 118.95 119.57 1j9s s ARG 14 Ca 0.73 -1.00 -0.01 0.00 -0.52 0.00 0.00 55.73 54.93 1j9s s ARG 14 Cb -0.26 -1.93 0.03 0.00 0.52 0.00 0.00 34.95 33.31 1j9s s ARG 14 CO 0.39 0.51 -0.04 -1.14 0.02 0.00 0.00 175.30 175.04 1j9s s GLN 15 N -0.95 1.02 -0.22 3.54 0.74 -0.54 -4.95 119.66 118.30 1j9s s GLN 15 Ca 0.10 -0.07 -0.21 0.00 0.05 0.00 0.00 55.36 55.23 1j9s s GLN 15 Cb -0.10 -1.21 -0.02 0.00 1.10 0.00 0.00 33.01 32.79 1j9s s GLN 15 CO 0.01 -0.26 0.67 0.15 -0.55 0.00 0.00 175.29 175.31 1j9s s LYS 16 N 1.72 4.18 -0.05 1.67 1.02 -1.26 -0.08 119.74 126.95 1j9s s LYS 16 Ca 0.03 0.67 -0.03 0.00 0.02 0.00 0.00 55.97 56.66 1j9s s LYS 16 Cb -0.13 -3.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 1j9s s LYS 16 CO -0.06 -0.33 0.10 0.08 -0.92 0.00 0.00 175.35 174.22 1j9s s VAL 17 N 2.22 4.96 -0.30 3.17 1.01 0.11 -4.93 120.40 126.63 1j9s s VAL 17 Ca 0.29 -0.19 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 1j9s s VAL 17 Cb -0.16 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.00 1j9s s VAL 17 CO 0.10 0.45 0.12 -1.83 0.00 0.00 0.00 175.10 173.94 1j9s s GLU 18 N -1.46 3.20 0.57 2.72 1.03 -1.26 -4.65 118.70 118.85 1j9s s GLU 18 Ca 0.20 -0.80 -0.17 0.00 0.03 0.00 0.00 54.97 54.23 1j9s s GLU 18 Cb -0.12 -3.47 -0.04 0.00 -0.80 0.00 0.00 34.13 29.69 1j9s s GLU 18 CO 0.10 -0.44 1.07 -0.51 -1.33 0.00 0.00 175.26 174.16 1j9s s LEU 19 N 1.55 3.60 0.16 1.83 1.43 -1.26 -4.73 118.68 121.26 1j9s s LEU 19 Ca 0.04 1.93 0.09 0.00 -1.03 0.00 0.00 54.13 55.15 1j9s s LEU 19 Cb -0.17 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.46 1j9s s LEU 19 CO 0.04 -1.17 -0.19 0.68 0.23 0.00 0.00 176.35 175.94 1j9s s VAL 20 N -2.22 1.87 0.36 -1.59 -7.23 -1.26 -4.98 120.40 105.34 1j9s s VAL 20 Ca 0.66 -1.87 -0.27 0.00 -1.81 0.00 0.00 61.98 58.69 1j9s s VAL 20 Cb -0.18 -1.84 -0.09 0.00 0.56 0.00 0.00 36.38 34.83 1j9s s VAL 20 CO 0.32 -0.25 1.13 -1.81 -0.31 0.00 0.00 175.10 174.19 1j9s s ASP 21 N -2.55 6.83 0.80 4.85 -0.00 -1.26 -4.60 116.67 120.74 1j9s s ASP 21 Ca 0.15 2.28 -0.13 0.00 -0.00 0.00 0.00 52.55 54.85 1j9s s ASP 21 Cb -0.07 -2.62 0.08 0.00 -0.00 0.00 0.00 42.92 40.31 1j9s s ASP 21 CO 0.07 -0.45 1.20 -2.84 -0.00 0.00 0.00 175.17 173.14 1j9s s PRO 22 N -2.02 1.73 0.00 8.23 0.02 -1.26 -2.43 135.00 139.27 1j9s s PRO 22 Ca 0.52 1.72 0.30 0.00 0.02 0.00 0.00 61.00 63.56 1j9s s PRO 22 Cb -0.30 -1.79 1.69 0.00 0.02 0.00 0.00 34.50 34.12 1j9s s PRO 22 CO 0.38 -2.13 2.11 -0.35 -0.33 0.00 0.00 177.00 176.68 1j9s n PRO 23 N -3.24 0.73 -1.43 5.54 -0.04 -1.26 -5.06 135.00 130.23 1j9s n PRO 23 Ca 0.13 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.29 1j9s n PRO 23 Cb 0.51 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.55 1j9s n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1j9s s PHE 24 N -2.25 2.81 -0.02 0.54 0.40 -1.02 -0.15 117.98 118.30 1j9s s PHE 24 Ca 0.38 1.38 0.05 0.00 -0.60 0.00 0.00 56.93 58.15 1j9s s PHE 24 Cb 0.21 -3.01 -0.01 0.00 0.51 0.00 0.00 43.02 40.72 1j9s s PHE 24 CO 0.40 -1.64 -0.16 0.08 0.70 0.00 0.00 175.22 174.60 1j9s s VAL 25 N -3.01 1.30 0.84 -0.44 1.01 -1.26 -4.63 120.40 114.20 1j9s s VAL 25 Ca 0.60 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.76 1j9s s VAL 25 Cb -0.15 -1.08 0.08 0.00 0.00 0.00 0.00 36.38 35.22 1j9s s VAL 25 CO 0.55 0.37 1.01 0.00 0.00 0.00 0.00 175.10 177.03 1j9s n HIS 26 N 2.73 0.60 -1.73 5.22 1.44 -1.26 -4.90 115.22 117.31 1j9s n HIS 26 Ca -0.15 0.38 -0.41 0.00 -2.01 0.00 0.00 57.72 55.53 1j9s n HIS 26 Cb 0.54 -2.02 0.01 0.00 0.12 0.00 0.00 29.99 28.64 1j9s n HIS 26 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1j9s n ALA 27 N -3.45 1.72 -3.74 1.59 0.00 -1.26 -4.99 120.51 110.38 1j9s n ALA 27 Ca 0.12 0.28 -0.03 0.00 0.00 0.00 0.00 53.44 53.81 1j9s n ALA 27 Cb 0.51 -2.33 -0.01 0.00 0.00 0.00 0.00 19.45 17.61 1j9s n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1j9s s HIS 28 N -1.17 -0.13 -0.09 0.00 -3.43 -1.26 -5.02 115.29 104.18 1j9s s HIS 28 Ca 0.59 -0.15 0.03 0.00 -0.80 0.00 0.00 55.06 54.72 1j9s s HIS 28 Cb -0.49 0.63 -0.01 0.00 -1.43 0.00 0.00 32.58 31.28 1j9s s HIS 28 CO 0.59 -0.79 -0.17 -1.54 -2.00 0.00 0.00 174.74 170.83 1j9s s SER 29 N -2.93 3.69 0.09 7.38 1.04 -1.26 -5.02 113.70 116.69 1j9s s SER 29 Ca 0.12 -0.37 -0.22 0.00 0.48 0.00 0.00 55.95 55.97 1j9s s SER 29 Cb -0.01 -1.24 -0.12 0.00 0.10 0.00 0.00 66.02 64.75 1j9s s SER 29 CO 0.01 0.22 1.71 1.56 0.98 0.00 0.00 173.24 177.73 1j9s h GLN 30 N 6.24 0.11 -5.86 4.02 4.20 -1.98 -3.39 115.11 118.45 1j9s h GLN 30 Ca -0.31 -0.01 -0.57 0.00 0.06 0.00 0.00 58.65 57.82 1j9s h GLN 30 Cb 1.19 -0.02 -0.07 0.00 0.30 0.00 0.00 27.48 28.88 1j9s h GLN 30 CO 0.51 0.12 -0.01 0.08 -0.67 0.00 0.00 178.83 178.87 1j9s s VAL 31 N -5.99 5.11 0.24 -0.54 1.01 -1.26 -3.60 120.40 115.37 1j9s s VAL 31 Ca -0.13 1.20 -0.31 0.00 0.00 0.00 0.00 61.98 62.74 1j9s s VAL 31 Cb 0.07 -3.93 -0.13 0.00 0.00 0.00 0.00 36.38 32.38 1j9s s VAL 31 CO 0.68 0.27 1.49 0.00 0.00 0.00 0.00 175.10 177.53 1j9s n ALA 32 N 3.86 1.57 -2.99 5.51 0.00 0.48 -4.95 120.51 123.98 1j9s n ALA 32 Ca -0.04 0.41 -0.44 0.00 0.00 0.00 0.00 53.44 53.36 1j9s n ALA 32 Cb 0.51 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.57 1j9s n ALA 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1j9s s GLU 33 N -0.19 3.06 0.77 0.00 2.02 -1.26 -4.95 118.70 118.14 1j9s s GLU 33 Ca 0.69 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 54.45 1j9s s GLU 33 Cb -0.61 -4.20 0.00 0.00 0.10 0.00 0.00 34.13 29.42 1j9s s GLU 33 CO 0.47 -1.36 0.00 0.41 0.02 0.00 0.00 175.26 174.80 1j9s n GLY 34 N 5.24 -2.10 2.60 -1.39 0.00 -1.26 -4.97 105.19 103.29 1j9s n GLY 34 Ca -0.09 -1.53 -0.20 0.00 0.00 0.00 0.00 46.02 44.20 1j9s n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9s n GLY 35 N -0.09 -1.64 3.63 -0.02 0.00 -1.26 -5.00 105.19 100.80 1j9s n GLY 35 Ca 0.00 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 1j9s n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1j9s n PRO 36 N -3.10 1.25 -3.97 1.61 -0.02 -1.26 -5.00 135.00 124.51 1j9s n PRO 36 Ca 0.11 0.46 -0.10 0.00 -2.02 0.00 0.00 63.50 61.96 1j9s n PRO 36 Cb 0.40 -2.15 -0.07 0.00 -0.02 0.00 0.00 33.50 31.66 1j9s n PRO 36 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1j9s s LYS 37 N -2.36 1.26 -0.41 -0.52 -2.85 -1.26 -4.34 119.74 109.26 1j9s s LYS 37 Ca 0.68 -1.20 -0.17 0.00 -1.00 0.00 0.00 55.97 54.28 1j9s s LYS 37 Cb -0.49 0.40 0.02 0.00 -2.06 0.00 0.00 37.83 35.70 1j9s s LYS 37 CO 0.53 -0.48 0.44 0.08 0.10 0.00 0.00 175.35 176.02 1j9s s VAL 38 N -3.99 5.08 -0.24 1.79 1.01 -0.37 -0.90 120.40 122.79 1j9s s VAL 38 Ca 0.19 -0.28 -0.19 0.00 0.00 0.00 0.00 61.98 61.70 1j9s s VAL 38 Cb 0.02 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1j9s s VAL 38 CO 0.03 -0.40 0.58 -0.69 0.00 0.00 0.00 175.10 174.62 1j9s s VAL 39 N 2.16 5.03 -0.16 2.92 1.01 0.72 -1.46 120.40 130.62 1j9s s VAL 39 Ca 0.13 1.05 -0.09 0.00 0.00 0.00 0.00 61.98 63.07 1j9s s VAL 39 Cb -0.17 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 1j9s s VAL 39 CO 0.14 0.08 0.14 -1.61 0.00 0.00 0.00 175.10 173.85 1j9s s GLU 40 N 2.20 3.86 0.07 2.72 2.02 0.89 -0.74 118.70 129.72 1j9s s GLU 40 Ca 0.25 -0.16 0.03 0.00 0.02 0.00 0.00 54.97 55.10 1j9s s GLU 40 Cb -0.16 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.73 1j9s s GLU 40 CO 0.09 0.52 -0.09 -0.06 0.02 0.00 0.00 175.26 175.74 1j9s s PHE 41 N -0.27 0.88 -0.01 1.61 0.40 -0.70 -0.71 117.98 119.17 1j9s s PHE 41 Ca 0.12 -0.65 0.01 0.00 -0.60 0.00 0.00 56.93 55.81 1j9s s PHE 41 Cb -0.12 -0.50 0.01 0.00 0.51 0.00 0.00 43.02 42.92 1j9s s PHE 41 CO 0.01 -0.07 -0.04 0.99 0.70 0.00 0.00 175.22 176.81 1j9s s THR 42 N -2.25 0.39 -0.04 0.64 2.01 -1.26 -0.49 115.64 114.64 1j9s s THR 42 Ca 0.01 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 61.83 1j9s s THR 42 Cb -0.04 -0.37 0.03 0.00 0.01 0.00 0.00 72.50 72.13 1j9s s THR 42 CO -0.01 0.14 0.10 -0.04 -0.69 0.00 0.00 174.62 174.12 1j9s s MET 43 N 0.24 0.05 -0.18 4.92 -1.94 -0.39 -4.91 119.30 117.09 1j9s s MET 43 Ca -0.02 0.26 -0.07 0.00 -1.71 0.00 0.00 55.69 54.14 1j9s s MET 43 Cb -0.06 -0.15 -0.04 0.00 2.01 0.00 0.00 34.83 36.59 1j9s s MET 43 CO -0.00 -0.13 0.06 0.08 -0.01 0.00 0.00 175.02 175.01 1j9s s VAL 44 N 0.88 4.74 -0.01 -6.03 1.01 -1.26 -0.81 120.40 118.93 1j9s s VAL 44 Ca -0.07 -0.05 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 1j9s s VAL 44 Cb -0.09 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1j9s s VAL 44 CO -0.04 0.46 0.84 -0.63 0.00 0.00 0.00 175.10 175.73 1j9s s ILE 45 N 0.35 4.87 -0.16 2.22 1.01 0.74 -1.11 121.20 129.13 1j9s s ILE 45 Ca 0.03 1.75 -0.01 0.00 0.00 0.00 0.00 60.65 62.43 1j9s s ILE 45 Cb -0.12 -4.18 0.04 0.00 0.01 0.00 0.00 42.46 38.21 1j9s s ILE 45 CO 0.00 0.25 -0.05 -1.61 0.00 0.00 0.00 174.94 173.53 1j9s s GLU 46 N 0.63 1.40 -0.36 2.79 2.02 -0.06 -4.29 118.70 120.83 1j9s s GLU 46 Ca 0.44 -0.47 -0.26 0.00 0.02 0.00 0.00 54.97 54.69 1j9s s GLU 46 Cb -0.20 -1.94 0.01 0.00 0.10 0.00 0.00 34.13 32.11 1j9s s GLU 46 CO 0.24 -0.42 0.94 -1.21 0.02 0.00 0.00 175.26 174.83 1j9s s GLU 47 N 1.65 3.87 0.09 1.61 2.02 -1.26 -1.47 118.70 125.21 1j9s s GLU 47 Ca 0.01 0.63 -0.11 0.00 0.02 0.00 0.00 54.97 55.52 1j9s s GLU 47 Cb -0.15 -3.79 0.01 0.00 0.10 0.00 0.00 34.13 30.30 1j9s s GLU 47 CO -0.08 -0.94 0.26 -1.59 0.02 0.00 0.00 175.26 172.93 1j9s s LYS 48 N 3.48 0.88 0.18 1.61 -2.85 -0.48 -4.99 119.74 117.57 1j9s s LYS 48 Ca 0.39 -0.81 -0.27 0.00 -1.00 0.00 0.00 55.97 54.28 1j9s s LYS 48 Cb -0.12 0.37 -0.08 0.00 -2.06 0.00 0.00 37.83 35.94 1j9s s LYS 48 CO 0.18 -0.30 0.85 0.15 0.10 0.00 0.00 175.35 176.33 1j9s s LYS 49 N -3.56 4.68 0.05 1.78 1.02 -1.26 -0.77 119.74 121.68 1j9s s LYS 49 Ca 0.02 1.29 0.05 0.00 0.02 0.00 0.00 55.97 57.35 1j9s s LYS 49 Cb 0.03 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 1j9s s LYS 49 CO -0.10 0.50 -0.14 0.96 -0.92 0.00 0.00 175.35 175.66 1j9s s ILE 50 N -0.98 1.06 -0.24 2.17 -4.36 -0.68 -4.92 121.20 113.25 1j9s s ILE 50 Ca 0.39 -1.12 -0.09 0.00 -0.26 0.00 0.00 60.65 59.57 1j9s s ILE 50 Cb -0.24 -1.00 -0.04 0.00 1.25 0.00 0.00 42.46 42.43 1j9s s ILE 50 CO 0.28 -0.12 0.12 -0.69 0.24 0.00 0.00 174.94 174.78 1j9s s VAL 51 N -1.05 4.92 -1.45 8.37 1.01 -1.26 -1.45 120.40 129.49 1j9s s VAL 51 Ca -0.01 0.03 0.19 0.00 0.00 0.00 0.00 61.98 62.19 1j9s s VAL 51 Cb -0.09 -3.30 -0.07 0.00 0.00 0.00 0.00 36.38 32.92 1j9s s VAL 51 CO 0.02 0.34 0.90 2.30 0.00 0.00 0.00 175.10 178.66 1j9s n ILE 52 N 4.55 0.00 -4.02 2.22 -5.35 -0.07 -4.82 119.36 111.87 1j9s n ILE 52 Ca -0.15 -0.22 -0.10 0.00 -0.27 0.00 0.00 62.75 62.01 1j9s n ILE 52 Cb 0.52 1.15 -0.05 0.00 -1.74 0.00 0.00 39.64 39.52 1j9s n ILE 52 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1j9s s ASP 53 N -2.38 0.08 0.00 7.28 3.84 -1.26 -0.49 116.67 123.75 1j9s s ASP 53 Ca 0.13 -1.05 0.20 0.00 -0.00 0.00 0.00 52.55 51.82 1j9s s ASP 53 Cb 0.15 0.59 1.19 0.00 -1.38 0.00 0.00 42.92 43.47 1j9s s ASP 53 CO 0.58 -1.17 1.65 -0.90 -0.00 0.00 0.00 175.17 175.33 1j9s n ASP 54 N -0.57 0.00 -0.88 2.11 5.68 -1.26 -2.23 116.55 119.41 1j9s n ASP 54 Ca -0.01 -0.99 0.11 0.00 -0.50 0.00 0.00 54.79 53.40 1j9s n ASP 54 Cb 0.62 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.88 1j9s n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1j9s n ALA 55 N -0.89 2.47 -1.03 2.12 0.00 -1.26 -4.92 120.51 117.00 1j9s n ALA 55 Ca 0.15 -0.77 -0.01 0.00 0.00 0.00 0.00 53.44 52.81 1j9s n ALA 55 Cb 0.07 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 18.55 1j9s n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j9s n GLY 56 N 1.33 0.48 3.75 0.00 0.00 -0.94 -4.99 105.19 104.81 1j9s n GLY 56 Ca 0.18 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1j9s n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j9s s THR 57 N -2.01 2.05 0.07 2.61 2.01 -1.26 -4.87 115.64 114.24 1j9s s THR 57 Ca 0.00 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.10 1j9s s THR 57 Cb 0.00 -3.02 -0.04 0.00 0.01 0.00 0.00 72.50 69.45 1j9s s THR 57 CO 0.00 0.01 -0.10 -1.61 -0.69 0.00 0.00 174.62 172.22 1j9s s GLU 58 N -0.30 2.22 -0.02 4.92 2.02 -1.26 -0.89 118.70 125.39 1j9s s GLU 58 Ca 0.65 -0.94 0.03 0.00 0.02 0.00 0.00 54.97 54.72 1j9s s GLU 58 Cb -0.48 -2.34 -0.00 0.00 0.10 0.00 0.00 34.13 31.41 1j9s s GLU 58 CO 0.46 0.54 -0.10 0.08 0.02 0.00 0.00 175.26 176.26 1j9s s VAL 59 N -1.12 0.84 -0.89 2.63 1.01 -0.53 -4.96 120.40 117.39 1j9s s VAL 59 Ca 0.19 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 1j9s s VAL 59 Cb -0.11 -0.73 0.10 0.00 0.00 0.00 0.00 36.38 35.64 1j9s s VAL 59 CO 0.11 0.25 1.17 -1.00 0.00 0.00 0.00 175.10 175.63 1j9s s HIS 60 N 0.04 2.87 0.45 5.22 3.76 -1.26 -1.68 115.29 124.68 1j9s s HIS 60 Ca -0.01 -1.05 -0.22 0.00 -0.15 0.00 0.00 55.06 53.64 1j9s s HIS 60 Cb -0.07 -4.39 -0.09 0.00 1.11 0.00 0.00 32.58 29.14 1j9s s HIS 60 CO 0.00 -1.64 1.03 0.00 -0.85 0.00 0.00 174.74 173.28 1j9s s ALA 61 N 3.58 2.97 -0.44 -1.40 0.00 0.05 -4.85 121.76 121.66 1j9s s ALA 61 Ca 0.33 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.94 1j9s s ALA 61 Cb -0.06 -3.24 0.12 0.00 0.00 0.00 0.00 23.12 19.93 1j9s s ALA 61 CO -0.05 -0.21 0.19 -1.64 0.00 0.00 0.00 175.76 174.05 1j9s s MET 62 N -2.96 1.61 -0.20 0.00 -1.94 -0.71 -1.39 119.30 113.71 1j9s s MET 62 Ca 0.63 -2.20 -0.04 0.00 -1.71 0.00 0.00 55.69 52.38 1j9s s MET 62 Cb -0.17 -2.97 -0.02 0.00 2.01 0.00 0.00 34.83 33.68 1j9s s MET 62 CO 0.21 -1.07 -0.04 0.00 -0.01 0.00 0.00 175.02 174.12 1j9s s ALA 63 N 0.27 2.89 0.16 3.03 0.00 -0.54 -2.51 121.76 125.05 1j9s s ALA 63 Ca 0.15 -1.03 -0.31 0.00 0.00 0.00 0.00 51.96 50.77 1j9s s ALA 63 Cb -0.23 -1.65 -0.09 0.00 0.00 0.00 0.00 23.12 21.15 1j9s s ALA 63 CO -0.04 -0.18 1.39 -0.06 0.00 0.00 0.00 175.76 176.87 1j9s s PHE 64 N 1.05 3.21 -1.95 0.00 0.08 -1.25 -0.88 117.98 118.23 1j9s s PHE 64 Ca 0.01 1.01 0.00 0.00 0.12 0.00 0.00 56.93 58.07 1j9s s PHE 64 Cb -0.15 -3.70 0.00 0.00 -0.57 0.00 0.00 43.02 38.61 1j9s s PHE 64 CO 0.00 -2.36 0.00 -1.71 -0.10 0.00 0.00 175.22 171.06 1j9s n ASN 65 N 3.36 -4.99 0.00 1.36 5.15 -0.27 -2.25 115.26 117.62 1j9s n ASN 65 Ca 0.10 0.45 0.00 0.00 -0.60 0.00 0.00 54.58 54.53 1j9s n ASN 65 Cb 0.42 -4.41 0.00 0.00 -0.53 0.00 0.00 39.78 35.26 1j9s n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1j9s n GLY 66 N -0.31 0.57 3.35 8.20 0.00 -0.94 -4.93 105.19 111.13 1j9s n GLY 66 Ca -0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 1j9s n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j9s s THR 67 N -2.42 1.61 -0.21 2.61 -4.23 -0.96 -4.96 115.64 107.08 1j9s s THR 67 Ca 0.00 -2.17 -0.01 0.00 -1.18 0.00 0.00 61.69 58.34 1j9s s THR 67 Cb 0.00 -2.12 0.06 0.00 1.34 0.00 0.00 72.50 71.77 1j9s s THR 67 CO 0.00 -0.54 -0.02 -0.69 -0.54 0.00 0.00 174.62 172.83 1j9s s VAL 68 N -3.05 1.13 1.04 2.29 1.01 -1.26 -3.33 120.40 118.23 1j9s s VAL 68 Ca 0.24 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 1j9s s VAL 68 Cb 0.01 -1.47 0.21 0.00 0.00 0.00 0.00 36.38 35.13 1j9s s VAL 68 CO 0.07 -0.12 1.18 -2.16 0.00 0.00 0.00 175.10 174.07 1j9s s PRO 69 N 1.58 0.09 0.86 2.72 0.04 -1.26 -1.72 135.00 137.31 1j9s s PRO 69 Ca -0.03 -0.03 -0.11 0.00 0.04 0.00 0.00 61.00 60.86 1j9s s PRO 69 Cb -0.18 -1.75 0.11 0.00 0.04 0.00 0.00 34.50 32.72 1j9s s PRO 69 CO -0.07 -2.84 1.09 0.20 0.04 0.00 0.00 177.00 175.42 1j9s s GLY 70 N -4.20 1.64 0.73 0.56 0.00 0.33 -4.76 107.32 101.62 1j9s s GLY 70 Ca 0.69 0.05 -0.14 0.00 0.00 0.00 0.00 44.72 45.33 1j9s s GLY 70 CO 0.54 0.50 1.16 2.56 0.00 0.00 0.00 173.10 177.85 1j9s s PRO 71 N -4.92 2.25 -0.15 2.90 0.04 -1.26 -4.49 135.00 129.38 1j9s s PRO 71 Ca 0.63 1.55 -0.25 0.00 0.04 0.00 0.00 61.00 62.97 1j9s s PRO 71 Cb -0.18 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1j9s s PRO 71 CO 0.57 -1.71 0.81 -1.17 0.04 0.00 0.00 177.00 175.54 1j9s s LEU 72 N -5.29 4.20 -0.21 -3.56 2.96 -1.26 -4.32 118.68 111.20 1j9s s LEU 72 Ca 0.70 1.17 -0.10 0.00 -0.22 0.00 0.00 54.13 55.69 1j9s s LEU 72 Cb -0.24 -3.20 -0.05 0.00 0.50 0.00 0.00 46.19 43.20 1j9s s LEU 72 CO 0.46 -0.34 0.12 -0.04 -1.32 0.00 0.00 176.35 175.23 1j9s s MET 73 N 1.89 4.10 -0.12 1.98 -1.94 -1.14 -4.52 119.30 119.54 1j9s s MET 73 Ca 0.38 -0.26 0.02 0.00 -1.71 0.00 0.00 55.69 54.12 1j9s s MET 73 Cb -0.17 -3.41 -0.01 0.00 2.01 0.00 0.00 34.83 33.25 1j9s s MET 73 CO 0.14 0.22 -0.18 0.08 -0.01 0.00 0.00 175.02 175.26 1j9s s VAL 74 N 0.58 2.55 0.12 -6.03 1.01 -1.26 -0.46 120.40 116.91 1j9s s VAL 74 Ca 0.07 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1j9s s VAL 74 Cb -0.12 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1j9s s VAL 74 CO 0.00 0.54 0.12 1.33 0.00 0.00 0.00 175.10 177.09 1j9s n VAL 75 N 3.63 0.00 -4.42 2.92 0.24 -0.57 -4.98 118.33 115.16 1j9s n VAL 75 Ca -0.19 -0.79 -0.24 0.00 -2.04 0.00 0.00 64.34 61.09 1j9s n VAL 75 Cb 0.53 0.41 -0.11 0.00 -1.47 0.00 0.00 33.84 33.20 1j9s n VAL 75 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1j9s s HIS 76 N -2.99 2.14 0.17 6.34 3.76 -1.26 -1.09 115.29 122.37 1j9s s HIS 76 Ca 0.13 -0.39 -0.33 0.00 -0.15 0.00 0.00 55.06 54.32 1j9s s HIS 76 Cb 0.00 -1.00 -0.15 0.00 1.11 0.00 0.00 32.58 32.54 1j9s s HIS 76 CO 0.09 0.54 1.27 0.94 -0.85 0.00 0.00 174.74 176.73 1j9s n GLN 77 N -0.14 1.43 -0.97 1.40 7.27 0.37 -1.48 117.38 125.26 1j9s n GLN 77 Ca -0.09 0.51 0.00 0.00 0.07 0.00 0.00 57.00 57.49 1j9s n GLN 77 Cb 0.58 -2.08 0.00 0.00 2.41 0.00 0.00 30.24 31.15 1j9s n GLN 77 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1j9s n ASP 78 N 2.22 -3.25 -4.76 1.69 10.43 0.20 -4.77 116.55 118.31 1j9s n ASP 78 Ca 0.15 0.00 -0.27 0.00 2.57 0.00 0.00 54.79 57.24 1j9s n ASP 78 Cb 0.26 -1.37 0.10 0.00 1.84 0.00 0.00 41.12 41.94 1j9s n ASP 78 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1j9s s ASP 79 N -2.12 4.40 -0.02 -2.24 -0.00 -0.55 -4.67 116.67 111.47 1j9s s ASP 79 Ca 0.00 0.41 0.04 0.00 -0.00 0.00 0.00 52.55 52.99 1j9s s ASP 79 Cb 0.00 -0.89 -0.03 0.00 -0.00 0.00 0.00 42.92 42.00 1j9s s ASP 79 CO 0.00 -1.89 -0.11 -0.31 -0.00 0.00 0.00 175.17 172.86 1j9s s TYR 80 N -3.42 2.78 -0.26 4.23 1.51 -0.08 -1.76 117.35 120.36 1j9s s TYR 80 Ca 0.64 -0.10 -0.05 0.00 -1.01 0.00 0.00 57.07 56.55 1j9s s TYR 80 Cb -0.09 -1.61 0.00 0.00 -0.11 0.00 0.00 41.96 40.15 1j9s s TYR 80 CO 0.47 0.29 0.01 -1.17 -1.11 0.00 0.00 175.55 174.04 1j9s s LEU 81 N -1.11 3.35 -0.37 -1.29 0.20 -0.18 -0.20 118.68 119.09 1j9s s LEU 81 Ca 0.14 -0.58 -0.03 0.00 0.69 0.00 0.00 54.13 54.35 1j9s s LEU 81 Cb -0.11 -1.80 0.08 0.00 -0.43 0.00 0.00 46.19 43.94 1j9s s LEU 81 CO 0.04 -0.10 0.13 -0.70 -0.29 0.00 0.00 176.35 175.43 1j9s s GLU 82 N 1.47 2.23 -0.20 1.98 2.12 0.08 -2.01 118.70 124.36 1j9s s GLU 82 Ca 0.04 -1.56 -0.11 0.00 0.36 0.00 0.00 54.97 53.70 1j9s s GLU 82 Cb -0.16 -3.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.73 1j9s s GLU 82 CO -0.01 -0.88 0.17 -1.17 -0.54 0.00 0.00 175.26 172.84 1j9s s LEU 83 N 1.22 4.20 -0.35 2.70 0.20 0.26 -1.72 118.68 125.18 1j9s s LEU 83 Ca 0.03 0.28 -0.13 0.00 0.69 0.00 0.00 54.13 55.00 1j9s s LEU 83 Cb -0.21 -2.16 -0.00 0.00 -0.43 0.00 0.00 46.19 43.38 1j9s s LEU 83 CO -0.02 0.14 0.24 -0.89 -0.29 0.00 0.00 176.35 175.53 1j9s s THR 84 N 0.48 5.13 -0.14 3.68 2.01 0.36 -1.37 115.64 125.79 1j9s s THR 84 Ca 0.10 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 61.69 1j9s s THR 84 Cb -0.12 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1j9s s THR 84 CO 0.00 -0.08 -0.06 -0.22 -0.69 0.00 0.00 174.62 173.58 1j9s s LEU 85 N 1.69 3.15 -0.08 4.42 2.96 -0.33 -1.27 118.68 129.22 1j9s s LEU 85 Ca 0.05 -0.15 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1j9s s LEU 85 Cb -0.18 -1.75 -0.00 0.00 0.50 0.00 0.00 46.19 44.77 1j9s s LEU 85 CO 0.10 0.19 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.47 1j9s s ILE 86 N 0.24 1.85 -0.42 6.68 1.01 0.01 -1.63 121.20 128.95 1j9s s ILE 86 Ca -0.04 -0.92 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 1j9s s ILE 86 Cb -0.14 -1.60 0.11 0.00 0.01 0.00 0.00 42.46 40.85 1j9s s ILE 86 CO 0.03 0.52 0.20 0.21 0.00 0.00 0.00 174.94 175.90 1j9s s ASN 87 N 0.22 5.12 0.55 3.58 2.47 -0.39 -0.18 114.94 126.31 1j9s s ASN 87 Ca -0.13 -2.18 -0.20 0.00 0.42 0.00 0.00 52.86 50.78 1j9s s ASN 87 Cb -0.16 -1.78 -0.07 0.00 -1.45 0.00 0.00 41.25 37.79 1j9s s ASN 87 CO 0.06 -0.48 0.91 -2.65 -3.72 0.00 0.00 177.10 171.22 1j9s n PRO 88 N 4.35 0.96 0.21 0.43 -0.02 -1.26 0.84 135.00 140.50 1j9s n PRO 88 Ca 0.00 0.36 0.15 0.00 -2.02 0.00 0.00 63.50 61.99 1j9s n PRO 88 Cb 0.41 -2.07 0.70 0.00 -0.02 0.00 0.00 33.50 32.52 1j9s n PRO 88 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1j9s h GLU 89 N 0.71 0.00 0.00 -0.52 4.11 -1.90 -0.90 114.58 116.08 1j9s h GLU 89 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1j9s h GLU 89 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1j9s h GLU 89 CO 0.52 0.00 0.00 1.79 0.07 0.00 0.00 179.01 181.39 1j9s h THR 90 N 0.00 0.00 -4.19 -1.06 1.35 -1.95 -3.44 112.91 103.62 1j9s h THR 90 Ca 0.00 -0.38 -0.49 0.00 -0.55 0.00 0.00 66.41 64.99 1j9s h THR 90 Cb 0.21 1.24 0.07 0.00 -1.73 0.00 0.00 68.15 67.94 1j9s h THR 90 CO 0.00 0.00 0.33 0.20 -0.25 0.00 0.00 175.52 175.80 1j9s s ASN 91 N -4.59 5.60 -0.01 5.36 0.01 -0.35 -5.01 114.94 115.96 1j9s s ASN 91 Ca 0.06 1.03 0.11 0.00 -0.71 0.00 0.00 52.86 53.35 1j9s s ASN 91 Cb 0.10 -1.93 -0.15 0.00 0.41 0.00 0.00 41.25 39.68 1j9s s ASN 91 CO 0.49 -1.18 0.38 0.35 -1.51 0.00 0.00 177.10 175.63 1j9s n THR 92 N -2.83 0.00 -4.42 1.60 -2.24 -1.26 -4.75 114.28 100.38 1j9s n THR 92 Ca 0.06 -0.25 -0.22 0.00 -2.27 0.00 0.00 64.05 61.37 1j9s n THR 92 Cb 0.57 0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 69.38 1j9s n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1j9s s LEU 93 N -3.06 2.57 0.41 3.22 1.43 -1.26 -4.95 118.68 117.04 1j9s s LEU 93 Ca 0.01 -1.02 -0.22 0.00 -1.03 0.00 0.00 54.13 51.86 1j9s s LEU 93 Cb 0.08 -0.92 -0.10 0.00 0.03 0.00 0.00 46.19 45.28 1j9s s LEU 93 CO 0.47 -0.05 0.96 -0.32 0.23 0.00 0.00 176.35 177.64 1j9s s MET 94 N -3.56 4.28 0.12 1.70 -2.45 -1.26 -4.25 119.30 113.88 1j9s s MET 94 Ca 0.27 1.20 -0.03 0.00 -1.25 0.00 0.00 55.69 55.88 1j9s s MET 94 Cb -0.03 -2.34 -0.03 0.00 1.25 0.00 0.00 34.83 33.68 1j9s s MET 94 CO 0.11 0.01 0.09 -1.01 1.05 0.00 0.00 175.02 175.27 1j9s s HIS 95 N -2.01 0.66 0.00 4.11 0.09 -0.95 -4.93 115.29 112.25 1j9s s HIS 95 Ca 0.59 -1.07 0.00 0.00 -0.00 0.00 0.00 55.06 54.58 1j9s s HIS 95 Cb -0.12 -0.36 0.00 0.00 -0.00 0.00 0.00 32.58 32.10 1j9s s HIS 95 CO 0.17 -0.52 0.00 0.27 -0.00 0.00 0.00 174.74 174.65 1j9s n ASN 96 N -0.07 0.00 -3.71 1.40 6.94 -1.26 -1.06 115.26 117.50 1j9s n ASN 96 Ca -0.08 -0.85 -0.11 0.00 -0.02 0.00 0.00 54.58 53.51 1j9s n ASN 96 Cb 0.63 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.94 1j9s n ASN 96 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 1j9s s ILE 97 N -2.68 -0.02 -0.19 1.53 2.07 -1.26 -4.14 121.20 116.51 1j9s s ILE 97 Ca 0.00 0.08 -0.01 0.00 -1.41 0.00 0.00 60.65 59.30 1j9s s ILE 97 Cb 0.00 -0.56 -0.00 0.00 0.13 0.00 0.00 42.46 42.03 1j9s s ILE 97 CO 0.00 0.03 -0.11 -0.62 -1.91 0.00 0.00 174.94 172.33 1j9s s ASP 98 N 1.07 3.85 -0.28 4.50 -1.08 -0.41 -1.19 116.67 123.14 1j9s s ASP 98 Ca -0.07 -0.46 -0.10 0.00 -0.52 0.00 0.00 52.55 51.40 1j9s s ASP 98 Cb -0.07 -1.63 -0.04 0.00 -1.46 0.00 0.00 42.92 39.72 1j9s s ASP 98 CO -0.09 0.03 0.17 -0.36 0.52 0.00 0.00 175.17 175.44 1j9s s PHE 99 N 1.16 3.19 0.00 -5.34 0.40 0.50 -1.56 117.98 116.34 1j9s s PHE 99 Ca 0.01 -0.01 0.32 0.00 -0.60 0.00 0.00 56.93 56.65 1j9s s PHE 99 Cb -0.14 -2.35 1.39 0.00 0.51 0.00 0.00 43.02 42.42 1j9s s PHE 99 CO -0.04 -0.21 1.95 0.45 0.70 0.00 0.00 175.22 178.07 1j9s h HIS 100 N 8.35 0.00 0.00 0.36 3.86 -1.59 -2.13 115.15 124.00 1j9s h HIS 100 Ca -0.36 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.83 1j9s h HIS 100 Cb 1.19 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.65 1j9s h HIS 100 CO 0.74 0.00 -0.10 0.00 0.86 0.00 0.00 177.93 179.42 1j9s h ALA 101 N 2.07 0.97 -2.07 2.45 0.00 -1.91 -3.46 119.26 117.30 1j9s h ALA 101 Ca 0.00 -0.10 -0.46 0.00 0.00 0.00 0.00 54.91 54.36 1j9s h ALA 101 Cb 0.39 -0.02 0.09 0.00 0.00 0.00 0.00 17.79 18.25 1j9s h ALA 101 CO 0.00 0.13 0.21 0.00 0.00 0.00 0.00 179.25 179.59 1j9s s ALA 102 N -3.42 3.19 -0.14 0.00 0.00 -0.80 -4.62 121.76 115.97 1j9s s ALA 102 Ca 0.03 -1.13 -0.01 0.00 0.00 0.00 0.00 51.96 50.86 1j9s s ALA 102 Cb 0.08 -2.48 0.04 0.00 0.00 0.00 0.00 23.12 20.75 1j9s s ALA 102 CO 0.63 -1.42 -0.04 0.99 0.00 0.00 0.00 175.76 175.91 1j9s s THR 103 N -3.27 0.94 0.00 0.00 2.01 -1.26 -4.80 115.64 109.26 1j9s s THR 103 Ca 0.63 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.19 1j9s s THR 103 Cb -0.09 -1.10 0.00 0.00 0.01 0.00 0.00 72.50 71.32 1j9s s THR 103 CO 0.45 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 175.17 1j9s n GLY 104 N 4.94 3.06 4.12 4.40 0.00 -1.26 -4.94 105.19 115.52 1j9s n GLY 104 Ca -0.11 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1j9s n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9s n ALA 105 N -0.27 -2.45 -2.97 4.61 0.00 -1.26 -0.56 120.51 117.61 1j9s n ALA 105 Ca 0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 53.44 52.71 1j9s n ALA 105 Cb 0.00 -2.19 0.01 0.00 0.00 0.00 0.00 19.45 17.27 1j9s n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j9s n LEU 106 N -4.90 -1.78 0.00 0.00 4.77 -1.26 -0.23 117.00 113.60 1j9s n LEU 106 Ca -0.17 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1j9s n LEU 106 Cb 0.60 -2.41 0.00 0.00 -2.33 0.00 0.00 43.42 39.28 1j9s n LEU 106 CO 0.77 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 1j9s n GLY 107 N -1.16 0.78 0.00 -0.72 0.00 0.27 -3.50 105.19 100.86 1j9s n GLY 107 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1j9s n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9s n GLY 108 N -2.34 1.81 0.23 -0.02 0.00 0.68 -0.37 105.19 105.19 1j9s n GLY 108 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1j9s n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1j9s h GLY 109 N 0.00 0.00 2.00 -0.02 0.00 -0.87 -2.06 103.07 102.12 1j9s h GLY 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1j9s h GLY 109 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.21 1j9s h GLY 110 N 0.64 0.00 -0.82 4.60 0.00 -1.74 -3.18 103.07 102.58 1j9s h GLY 110 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1j9s h GLY 110 CO 0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.60 1j9s n LEU 111 N -2.41 1.94 -0.41 3.11 4.77 -0.82 -4.69 117.00 118.49 1j9s n LEU 111 Ca 0.04 -1.13 0.07 0.00 -0.03 0.00 0.00 56.01 54.95 1j9s n LEU 111 Cb 0.35 -0.03 0.12 0.00 -2.33 0.00 0.00 43.42 41.53 1j9s n LEU 111 CO 0.26 0.40 0.41 0.35 -1.33 0.00 0.00 177.39 177.48 1j9s n THR 112 N 0.52 1.43 -2.24 -5.08 -2.24 -0.95 -4.96 114.28 100.77 1j9s n THR 112 Ca 0.06 -1.95 -0.43 0.00 -2.27 0.00 0.00 64.05 59.46 1j9s n THR 112 Cb 0.26 0.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 1j9s n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1j9s s GLU 113 N -2.15 3.70 -0.10 -0.78 2.02 -1.25 -4.24 118.70 115.90 1j9s s GLU 113 Ca 0.27 1.33 0.03 0.00 0.02 0.00 0.00 54.97 56.62 1j9s s GLU 113 Cb 0.26 -4.02 0.01 0.00 0.10 0.00 0.00 34.13 30.48 1j9s s GLU 113 CO -0.02 -1.41 -0.17 0.96 0.02 0.00 0.00 175.26 174.64 1j9s s ILE 114 N 5.30 1.60 0.69 -1.63 -4.36 -0.23 -4.98 121.20 117.60 1j9s s ILE 114 Ca 0.66 -0.73 -0.11 0.00 -0.26 0.00 0.00 60.65 60.22 1j9s s ILE 114 Cb -0.19 -1.43 0.02 0.00 1.25 0.00 0.00 42.46 42.11 1j9s s ILE 114 CO 0.29 0.46 1.07 0.20 0.24 0.00 0.00 174.94 177.20 1j9s s ASN 115 N 0.69 5.41 0.26 4.36 0.02 -1.26 -2.23 114.94 122.19 1j9s s ASN 115 Ca -0.13 1.04 -0.31 0.00 -1.02 0.00 0.00 52.86 52.45 1j9s s ASN 115 Cb -0.16 -1.85 -0.13 0.00 0.02 0.00 0.00 41.25 39.13 1j9s s ASN 115 CO 0.03 -1.33 1.45 -2.65 0.02 0.00 0.00 177.10 174.62 1j9s n PRO 116 N -2.96 2.21 -0.07 -0.60 -0.02 -1.26 -0.92 135.00 131.37 1j9s n PRO 116 Ca 0.07 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1j9s n PRO 116 Cb 0.57 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1j9s n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j9s n GLY 117 N 2.10 0.50 3.68 -1.23 0.00 0.25 -4.70 105.19 105.78 1j9s n GLY 117 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1j9s n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j9s s GLU 118 N -0.86 2.20 0.17 1.61 2.02 -0.10 -4.89 118.70 118.85 1j9s s GLU 118 Ca 0.00 -1.72 -0.07 0.00 0.02 0.00 0.00 54.97 53.21 1j9s s GLU 118 Cb 0.00 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 32.20 1j9s s GLU 118 CO 0.00 0.07 0.24 -1.59 0.02 0.00 0.00 175.26 174.00 1j9s s LYS 119 N -3.80 1.15 0.08 1.61 -2.85 -1.26 -1.26 119.74 113.41 1j9s s LYS 119 Ca 0.37 -1.28 -0.19 0.00 -1.00 0.00 0.00 55.97 53.87 1j9s s LYS 119 Cb 0.00 0.35 0.04 0.00 -2.06 0.00 0.00 37.83 36.16 1j9s s LYS 119 CO 0.21 -0.41 0.46 -0.08 0.10 0.00 0.00 175.35 175.63 1j9s s THR 120 N -4.01 0.05 -0.19 3.79 -1.32 -0.64 -5.01 115.64 108.31 1j9s s THR 120 Ca 0.21 -0.40 0.01 0.00 -1.21 0.00 0.00 61.69 60.30 1j9s s THR 120 Cb 0.04 -1.03 0.04 0.00 -1.51 0.00 0.00 72.50 70.04 1j9s s THR 120 CO 0.02 -0.22 -0.10 -0.63 -2.21 0.00 0.00 174.62 171.48 1j9s s ILE 121 N -2.99 1.58 -0.09 5.08 1.01 -1.26 -1.19 121.20 123.33 1j9s s ILE 121 Ca -0.02 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.71 1j9s s ILE 121 Cb 0.00 -1.64 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 1j9s s ILE 121 CO -0.06 0.20 -0.11 -0.22 0.00 0.00 0.00 174.94 174.75 1j9s s LEU 122 N 1.43 2.91 -0.04 2.97 2.96 -0.47 -4.96 118.68 123.48 1j9s s LEU 122 Ca -0.00 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1j9s s LEU 122 Cb -0.16 -1.64 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 1j9s s LEU 122 CO -0.08 0.27 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.42 1j9s s ARG 123 N -0.25 1.95 0.04 1.98 3.52 -1.26 -0.57 118.95 124.36 1j9s s ARG 123 Ca 0.02 -0.70 -0.06 0.00 -0.13 0.00 0.00 55.73 54.86 1j9s s ARG 123 Cb -0.13 -1.71 -0.01 0.00 -1.56 0.00 0.00 34.95 31.54 1j9s s ARG 123 CO 0.03 0.31 0.11 -0.59 -0.81 0.00 0.00 175.30 174.34 1j9s s PHE 124 N -0.10 0.21 -0.18 5.12 -0.12 -0.85 -4.98 117.98 117.08 1j9s s PHE 124 Ca -0.02 -0.54 -0.18 0.00 -0.05 0.00 0.00 56.93 56.14 1j9s s PHE 124 Cb -0.11 -0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.10 1j9s s PHE 124 CO 0.02 -0.39 0.50 0.21 -0.05 0.00 0.00 175.22 175.51 1j9s s LYS 125 N -2.85 4.22 -1.35 1.99 2.20 -1.26 -1.01 119.74 121.68 1j9s s LYS 125 Ca -0.03 0.41 -0.15 0.00 -0.36 0.00 0.00 55.97 55.84 1j9s s LYS 125 Cb 0.00 -3.53 0.08 0.00 -1.51 0.00 0.00 37.83 32.87 1j9s s LYS 125 CO -0.06 -0.07 1.91 0.00 -0.36 0.00 0.00 175.35 176.77 1j9s n ALA 126 N 4.51 4.53 0.31 3.13 0.00 -0.72 -4.75 120.51 127.52 1j9s n ALA 126 Ca -0.05 -3.96 0.14 0.00 0.00 0.00 0.00 53.44 49.57 1j9s n ALA 126 Cb 0.51 -3.45 0.45 0.00 0.00 0.00 0.00 19.45 16.96 1j9s n ALA 126 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1j9s h THR 127 N 4.68 0.00 -3.36 0.00 1.35 -1.86 0.56 112.91 114.29 1j9s h THR 127 Ca 0.47 -0.64 -0.68 0.00 -0.55 0.00 0.00 66.41 65.02 1j9s h THR 127 Cb 0.76 1.61 -0.32 0.00 -1.73 0.00 0.00 68.15 68.46 1j9s h THR 127 CO 1.62 0.00 -0.86 -0.54 -0.25 0.00 0.00 175.52 175.48 1j9s s LYS 128 N -3.40 3.08 0.13 4.72 1.02 -1.26 -4.75 119.74 119.27 1j9s s LYS 128 Ca 0.05 -0.85 -0.27 0.00 0.02 0.00 0.00 55.97 54.91 1j9s s LYS 128 Cb 0.08 -2.34 -0.07 0.00 -0.52 0.00 0.00 37.83 34.98 1j9s s LYS 128 CO 0.57 0.19 0.86 -1.25 -0.92 0.00 0.00 175.35 174.80 1j9s s PRO 129 N 0.33 4.64 0.00 -1.68 0.04 -1.26 -4.78 135.00 132.28 1j9s s PRO 129 Ca -0.17 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1j9s s PRO 129 Cb -0.18 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1j9s s PRO 129 CO 0.08 0.37 0.00 0.41 0.04 0.00 0.00 177.00 177.90 1j9s n GLY 130 N 2.01 -0.10 3.78 0.56 0.00 0.81 -1.88 105.19 110.37 1j9s n GLY 130 Ca -0.02 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 1j9s n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j9s s VAL 131 N -2.04 5.12 0.04 1.61 -7.23 0.15 0.45 120.40 118.51 1j9s s VAL 131 Ca 0.00 0.07 0.02 0.00 -1.81 0.00 0.00 61.98 60.26 1j9s s VAL 131 Cb 0.00 -3.24 -0.02 0.00 0.56 0.00 0.00 36.38 33.67 1j9s s VAL 131 CO 0.00 0.57 -0.08 -0.36 -0.31 0.00 0.00 175.10 174.92 1j9s s PHE 132 N -0.61 0.66 0.42 2.82 0.08 -0.39 -4.44 117.98 116.53 1j9s s PHE 132 Ca 0.12 -0.51 -0.19 0.00 0.12 0.00 0.00 56.93 56.47 1j9s s PHE 132 Cb -0.12 -0.40 -0.10 0.00 -0.57 0.00 0.00 43.02 41.83 1j9s s PHE 132 CO 0.02 -0.09 0.90 0.08 -0.10 0.00 0.00 175.22 176.04 1j9s s VAL 133 N -1.44 4.48 0.02 -0.44 1.01 -1.26 -0.87 120.40 121.91 1j9s s VAL 133 Ca -0.10 1.31 0.02 0.00 0.00 0.00 0.00 61.98 63.21 1j9s s VAL 133 Cb -0.10 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1j9s s VAL 133 CO 0.00 -0.34 -0.07 -0.72 0.00 0.00 0.00 175.10 173.97 1j9s s TYR 134 N -2.20 0.63 0.02 5.22 -0.85 -0.50 -1.60 117.35 118.07 1j9s s TYR 134 Ca 0.60 -0.30 -0.28 0.00 -0.52 0.00 0.00 57.07 56.57 1j9s s TYR 134 Cb -0.09 -0.39 0.09 0.00 0.38 0.00 0.00 41.96 41.95 1j9s s TYR 134 CO 0.17 -0.04 0.77 -3.38 -1.52 0.00 0.00 175.55 171.55 1j9s s HIS 135 N -0.75 -0.47 0.52 -3.49 -3.43 -0.60 -0.16 115.29 106.90 1j9s s HIS 135 Ca -0.03 0.50 -0.19 0.00 -0.80 0.00 0.00 55.06 54.53 1j9s s HIS 135 Cb -0.06 0.51 -0.07 0.00 -1.43 0.00 0.00 32.58 31.52 1j9s s HIS 135 CO 0.00 -0.63 1.07 0.00 -2.00 0.00 0.00 174.74 173.18 1j9s n ALA 137 N -1.19 -1.08 -2.45 0.00 0.00 -1.26 -4.47 120.51 110.06 1j9s n ALA 137 Ca 0.10 -1.48 -0.42 0.00 0.00 0.00 0.00 53.44 51.63 1j9s n ALA 137 Cb 0.52 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 1j9s n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1j9s s PRO 138 N 0.61 4.36 0.08 0.00 0.02 -1.26 -4.87 135.00 133.93 1j9s s PRO 138 Ca 0.31 1.69 -0.37 0.00 0.02 0.00 0.00 61.00 62.66 1j9s s PRO 138 Cb 0.11 -3.54 -0.17 0.00 0.02 0.00 0.00 34.50 30.92 1j9s s PRO 138 CO -0.15 -0.43 1.31 -2.30 -0.33 0.00 0.00 177.00 175.10 1j9s n PRO 139 N 5.09 1.06 0.00 5.54 -0.02 -1.26 -0.52 135.00 144.89 1j9s n PRO 139 Ca 0.11 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1j9s n PRO 139 Cb 0.46 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1j9s n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j9s n GLY 140 N 2.42 3.08 2.53 -1.23 0.00 -1.26 -4.79 105.19 105.94 1j9s n GLY 140 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 1j9s n GLY 140 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1j9s n MET 141 N -2.00 1.63 0.23 1.61 2.81 0.32 -4.98 117.12 116.74 1j9s n MET 141 Ca 0.00 -3.33 -0.09 0.00 -1.81 0.00 0.00 57.70 52.46 1j9s n MET 141 Cb 0.00 -1.42 -0.04 0.00 -0.71 0.00 0.00 33.22 31.04 1j9s n MET 141 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1j9s h VAL 142 N 5.44 0.00 -0.22 2.03 2.07 -1.80 -3.06 116.25 120.71 1j9s h VAL 142 Ca -0.11 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1j9s h VAL 142 Cb 1.38 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1j9s h VAL 142 CO 0.21 0.00 0.15 1.55 0.02 0.00 0.00 177.57 179.51 1j9s h PRO 143 N -0.61 0.14 -0.48 1.57 0.13 -1.92 -2.49 132.00 128.34 1j9s h PRO 143 Ca -0.06 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.08 1j9s h PRO 143 Cb 0.45 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.52 1j9s h PRO 143 CO 0.10 0.09 0.28 2.35 -0.23 0.00 0.00 178.00 180.59 1j9s h TRP 144 N 0.15 0.53 -0.30 1.56 7.01 -1.96 0.70 115.95 123.63 1j9s h TRP 144 Ca 0.10 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.05 1j9s h TRP 144 Cb 0.21 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.09 1j9s h TRP 144 CO -0.00 0.30 -0.07 0.45 -2.79 0.00 0.00 178.44 176.33 1j9s h HIS 145 N 0.56 0.66 -0.53 2.65 3.86 -1.35 -2.79 115.15 118.21 1j9s h HIS 145 Ca 0.19 -0.14 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1j9s h HIS 145 Cb 0.02 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.30 1j9s h HIS 145 CO -0.07 0.77 0.33 0.28 0.86 0.00 0.00 177.93 180.10 1j9s h VAL 146 N 0.36 1.08 -0.11 2.45 2.07 -1.15 -1.81 116.25 119.14 1j9s h VAL 146 Ca 0.08 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1j9s h VAL 146 Cb 0.56 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1j9s h VAL 146 CO 0.03 0.12 0.00 1.33 0.02 0.00 0.00 177.57 179.07 1j9s n VAL 147 N -4.76 0.14 -0.28 2.57 0.24 0.21 -1.99 118.33 114.46 1j9s n VAL 147 Ca 0.04 -0.14 0.09 0.00 -2.04 0.00 0.00 64.34 62.28 1j9s n VAL 147 Cb 0.06 0.06 0.25 0.00 -1.47 0.00 0.00 33.84 32.74 1j9s n VAL 147 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1j9s n SER 148 N -0.20 3.53 0.00 -1.34 7.64 -0.75 -4.64 113.62 117.86 1j9s n SER 148 Ca 0.05 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 57.93 1j9s n SER 148 Cb 0.10 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1j9s n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j9s n GLY 149 N 1.19 0.76 2.79 0.23 0.00 -0.84 -1.74 105.19 107.57 1j9s n GLY 149 Ca 0.19 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1j9s n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1j9s n MET 150 N -2.47 3.43 -3.52 1.61 0.00 -0.83 -4.58 117.12 110.76 1j9s n MET 150 Ca 0.00 -3.21 -0.11 0.00 0.00 0.00 0.00 57.70 54.38 1j9s n MET 150 Cb 0.00 -3.02 -0.03 0.00 0.00 0.00 0.00 33.22 30.17 1j9s n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1j9s s ASN 151 N 1.57 -0.43 0.00 6.12 2.20 -1.26 -1.68 114.94 121.46 1j9s s ASN 151 Ca 0.43 -0.15 0.00 0.00 -0.94 0.00 0.00 52.86 52.21 1j9s s ASN 151 Cb 0.12 0.56 0.00 0.00 -2.00 0.00 0.00 41.25 39.92 1j9s s ASN 151 CO -0.03 -0.94 0.00 0.61 -2.94 0.00 0.00 177.10 173.80 1j9s n GLY 152 N -0.32 2.97 3.71 0.45 0.00 0.78 -0.51 105.19 112.26 1j9s n GLY 152 Ca -0.16 -0.46 -0.08 0.00 0.00 0.00 0.00 46.02 45.32 1j9s n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9s s ALA 153 N -1.00 -1.11 0.10 4.61 0.00 -1.26 -1.41 121.76 121.69 1j9s s ALA 153 Ca 0.00 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1j9s s ALA 153 Cb 0.00 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 1j9s s ALA 153 CO 0.00 -0.94 -0.03 0.96 0.00 0.00 0.00 175.76 175.75 1j9s s ILE 154 N -3.90 0.51 -0.11 0.00 -4.36 -0.05 -2.88 121.20 110.41 1j9s s ILE 154 Ca 0.11 -1.91 0.02 0.00 -0.26 0.00 0.00 60.65 58.60 1j9s s ILE 154 Cb -0.04 -1.75 0.01 0.00 1.25 0.00 0.00 42.46 41.94 1j9s s ILE 154 CO 0.03 -0.80 -0.15 -0.32 0.24 0.00 0.00 174.94 173.93 1j9s s MET 155 N -3.89 2.24 -0.51 0.37 -2.45 0.39 -1.26 119.30 114.19 1j9s s MET 155 Ca 0.14 -0.57 -0.08 0.00 -1.25 0.00 0.00 55.69 53.93 1j9s s MET 155 Cb 0.06 -1.91 0.13 0.00 1.25 0.00 0.00 34.83 34.37 1j9s s MET 155 CO -0.04 -0.06 0.37 0.08 1.05 0.00 0.00 175.02 176.42 1j9s s VAL 156 N 0.99 4.12 0.46 10.11 1.01 0.17 -1.51 120.40 135.76 1j9s s VAL 156 Ca -0.06 -2.05 -0.21 0.00 0.00 0.00 0.00 61.98 59.65 1j9s s VAL 156 Cb -0.15 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 1j9s s VAL 156 CO -0.02 -0.80 1.04 -0.76 0.00 0.00 0.00 175.10 174.57 1j9s s LEU 157 N 1.03 3.92 0.63 3.92 1.43 -0.25 -0.14 118.68 129.23 1j9s s LEU 157 Ca 0.09 1.97 -0.17 0.00 -1.03 0.00 0.00 54.13 54.98 1j9s s LEU 157 Cb -0.24 -4.46 -0.01 0.00 0.03 0.00 0.00 46.19 41.50 1j9s s LEU 157 CO -0.02 -0.72 1.14 -2.84 0.23 0.00 0.00 176.35 174.14 1j9s s PRO 158 N -3.05 2.87 0.53 1.29 0.02 -1.26 -0.48 135.00 134.92 1j9s s PRO 158 Ca 0.65 1.57 0.20 0.00 0.02 0.00 0.00 61.00 63.44 1j9s s PRO 158 Cb -0.18 -1.94 1.35 0.00 0.02 0.00 0.00 34.50 33.74 1j9s s PRO 158 CO 0.22 -1.23 2.10 0.00 -0.33 0.00 0.00 177.00 177.76 1j9s h ARG 159 N 0.41 0.00 -0.61 5.54 2.47 -1.89 -1.31 114.38 118.99 1j9s h ARG 159 Ca -0.48 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1j9s h ARG 159 Cb 1.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 1j9s h ARG 159 CO 0.54 0.00 0.00 -0.85 0.56 0.00 0.00 179.97 180.22 1j9s n GLU 160 N -4.43 2.94 0.00 0.04 0.00 -1.26 -0.39 120.64 117.54 1j9s n GLU 160 Ca 0.01 -2.16 0.00 0.00 0.00 0.00 0.00 57.16 55.01 1j9s n GLU 160 Cb 0.26 -1.69 0.00 0.00 0.00 0.00 0.00 31.44 30.01 1j9s n GLU 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1j9s n GLY 161 N 1.03 -2.15 3.85 -1.84 0.00 -0.50 -4.79 105.19 100.81 1j9s n GLY 161 Ca 0.20 -1.46 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 1j9s n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j9s s LEU 162 N 0.00 4.02 0.04 0.99 1.43 -1.26 -4.35 118.68 119.56 1j9s s LEU 162 Ca 0.00 1.24 -0.01 0.00 -1.03 0.00 0.00 54.13 54.33 1j9s s LEU 162 Cb 0.00 -4.06 -0.03 0.00 0.03 0.00 0.00 46.19 42.13 1j9s s LEU 162 CO 0.00 -0.24 -0.03 -1.00 0.23 0.00 0.00 176.35 175.30 1j9s s HIS 163 N -2.06 0.46 0.17 0.29 3.76 -1.26 -0.49 115.29 116.15 1j9s s HIS 163 Ca 0.53 -0.88 -0.02 0.00 -0.15 0.00 0.00 55.06 54.54 1j9s s HIS 163 Cb -0.10 -0.33 0.04 0.00 1.11 0.00 0.00 32.58 33.29 1j9s s HIS 163 CO 0.20 -0.30 0.23 -0.40 -0.85 0.00 0.00 174.74 173.62 1j9s n ASP 164 N 0.59 0.12 0.17 1.40 5.68 0.51 -4.81 116.55 120.20 1j9s n ASP 164 Ca -0.17 -1.14 0.13 0.00 -0.50 0.00 0.00 54.79 53.10 1j9s n ASP 164 Cb 0.59 -0.16 0.58 0.00 -1.14 0.00 0.00 41.12 40.99 1j9s n ASP 164 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1j9s h GLY 165 N -0.24 0.00 -1.51 6.12 0.00 -1.89 -2.43 103.07 103.12 1j9s h GLY 165 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1j9s h GLY 165 CO 0.06 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.88 1j9s n LYS 166 N -2.35 2.29 -0.13 4.80 4.01 -1.26 -4.97 118.16 120.55 1j9s n LYS 166 Ca 0.00 -1.96 0.00 0.00 -0.51 0.00 0.00 58.31 55.84 1j9s n LYS 166 Cb 0.15 -1.33 0.00 0.00 -0.51 0.00 0.00 35.03 33.34 1j9s n LYS 166 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1j9s n GLY 167 N 0.82 0.84 3.73 0.72 0.00 -0.91 -5.04 105.19 105.35 1j9s n GLY 167 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1j9s n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j9s s LYS 168 N -0.68 4.37 0.54 1.61 -0.14 -1.26 -4.67 119.74 119.50 1j9s s LYS 168 Ca 0.00 2.07 -0.22 0.00 -1.36 0.00 0.00 55.97 56.46 1j9s s LYS 168 Cb 0.00 -3.20 -0.05 0.00 -1.68 0.00 0.00 37.83 32.90 1j9s s LYS 168 CO 0.00 -0.30 1.37 0.00 -0.76 0.00 0.00 175.35 175.66 1j9s s ALA 169 N 0.32 2.85 -0.26 5.17 0.00 -1.26 -0.36 121.76 128.22 1j9s s ALA 169 Ca 0.59 1.36 0.01 0.00 0.00 0.00 0.00 51.96 53.91 1j9s s ALA 169 Cb -0.37 -3.57 0.07 0.00 0.00 0.00 0.00 23.12 19.25 1j9s s ALA 169 CO 0.37 -1.38 -0.01 -0.51 0.00 0.00 0.00 175.76 174.23 1j9s s LEU 170 N -3.46 2.66 -0.21 0.00 1.43 0.35 -4.75 118.68 114.70 1j9s s LEU 170 Ca 0.71 -1.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.44 1j9s s LEU 170 Cb -0.41 -1.13 -0.00 0.00 0.03 0.00 0.00 46.19 44.67 1j9s s LEU 170 CO 0.49 -0.29 -0.07 -0.89 0.23 0.00 0.00 176.35 175.82 1j9s s THR 171 N 1.41 3.16 0.24 5.49 2.01 -1.26 -4.02 115.64 122.67 1j9s s THR 171 Ca -0.01 -0.57 -0.11 0.00 0.31 0.00 0.00 61.69 61.32 1j9s s THR 171 Cb -0.18 -2.42 -0.08 0.00 0.01 0.00 0.00 72.50 69.83 1j9s s THR 171 CO -0.10 0.44 0.58 -0.72 -0.69 0.00 0.00 174.62 174.14 1j9s s TYR 172 N 1.41 3.42 -0.02 4.92 -0.85 -1.26 -4.84 117.35 120.13 1j9s s TYR 172 Ca 0.05 0.93 0.02 0.00 -0.52 0.00 0.00 57.07 57.56 1j9s s TYR 172 Cb -0.14 -2.31 -0.25 0.00 0.38 0.00 0.00 41.96 39.64 1j9s s TYR 172 CO -0.05 0.24 0.75 -0.44 -1.52 0.00 0.00 175.55 174.53 1j9s h ASP 173 N 2.51 0.23 -5.11 -0.18 3.32 -0.67 -3.48 116.42 113.04 1j9s h ASP 173 Ca -0.47 -0.39 -0.14 0.00 0.02 0.00 0.00 57.03 56.05 1j9s h ASP 173 Cb 1.17 -0.08 -0.18 0.00 0.22 0.00 0.00 39.33 40.47 1j9s h ASP 173 CO 0.68 1.33 -0.69 -0.54 -1.72 0.00 0.00 179.24 178.31 1j9s s LYS 174 N -2.61 0.46 -0.01 3.56 1.02 -0.70 -5.00 119.74 116.46 1j9s s LYS 174 Ca -0.09 -0.91 0.01 0.00 0.02 0.00 0.00 55.97 55.00 1j9s s LYS 174 Cb 0.07 0.16 0.01 0.00 -0.52 0.00 0.00 37.83 37.55 1j9s s LYS 174 CO 0.83 -0.08 -0.03 -1.50 -0.92 0.00 0.00 175.35 173.64 1j9s s ILE 175 N -2.69 0.29 0.06 2.17 2.07 -1.26 -1.31 121.20 120.54 1j9s s ILE 175 Ca -0.04 -0.11 0.05 0.00 -1.41 0.00 0.00 60.65 59.14 1j9s s ILE 175 Cb -0.01 -0.29 -0.03 0.00 0.13 0.00 0.00 42.46 42.27 1j9s s ILE 175 CO -0.05 0.11 -0.15 -0.31 -1.91 0.00 0.00 174.94 172.62 1j9s s TYR 176 N 0.23 1.31 -0.26 3.50 2.02 -0.49 -4.41 117.35 119.24 1j9s s TYR 176 Ca -0.02 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 1j9s s TYR 176 Cb -0.05 -0.75 0.06 0.00 -0.40 0.00 0.00 41.96 40.82 1j9s s TYR 176 CO -0.00 0.07 -0.11 -0.47 -1.57 0.00 0.00 175.55 173.47 1j9s s TYR 177 N -1.07 3.27 -0.35 2.71 5.04 0.79 -0.80 117.35 126.94 1j9s s TYR 177 Ca 0.01 -2.31 -0.11 0.00 -2.44 0.00 0.00 57.07 52.21 1j9s s TYR 177 Cb -0.09 -1.94 0.00 0.00 0.35 0.00 0.00 41.96 40.29 1j9s s TYR 177 CO 0.02 -0.88 0.21 0.08 -1.34 0.00 0.00 175.55 173.64 1j9s s VAL 178 N 1.11 4.82 -0.25 3.14 1.01 0.64 -4.18 120.40 126.68 1j9s s VAL 178 Ca -0.09 -0.55 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 1j9s s VAL 178 Cb -0.20 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1j9s s VAL 178 CO -0.05 -0.09 0.23 -0.83 0.00 0.00 0.00 175.10 174.37 1j9s s GLY 179 N 1.63 1.96 -0.14 4.51 0.00 -1.26 -2.18 107.32 111.83 1j9s s GLY 179 Ca 0.04 -0.91 -0.11 0.00 0.00 0.00 0.00 44.72 43.75 1j9s s GLY 179 CO 0.08 0.63 0.20 1.85 0.00 0.00 0.00 173.10 175.87 1j9s s GLU 180 N 1.51 3.94 -0.07 2.90 2.12 -0.42 -1.96 118.70 126.71 1j9s s GLU 180 Ca 0.10 -0.04 0.03 0.00 0.36 0.00 0.00 54.97 55.41 1j9s s GLU 180 Cb -0.15 -3.33 0.01 0.00 0.26 0.00 0.00 34.13 30.92 1j9s s GLU 180 CO 0.08 0.48 -0.15 -1.14 -0.54 0.00 0.00 175.26 173.99 1j9s s GLN 181 N -0.21 1.98 -0.27 4.30 2.00 0.13 -4.49 119.66 123.11 1j9s s GLN 181 Ca 0.14 -0.51 -0.15 0.00 -2.00 0.00 0.00 55.36 52.85 1j9s s GLN 181 Cb -0.12 -1.60 -0.04 0.00 0.80 0.00 0.00 33.01 32.05 1j9s s GLN 181 CO 0.03 0.05 0.36 0.16 -0.50 0.00 0.00 175.29 175.39 1j9s s ASP 182 N 0.62 6.24 0.07 6.67 3.84 -1.26 -0.96 116.67 131.89 1j9s s ASP 182 Ca -0.15 0.27 0.04 0.00 -0.00 0.00 0.00 52.55 52.71 1j9s s ASP 182 Cb -0.16 -2.20 -0.04 0.00 -1.38 0.00 0.00 42.92 39.14 1j9s s ASP 182 CO 0.04 -0.17 -0.01 -0.36 -0.00 0.00 0.00 175.17 174.67 1j9s s PHE 183 N 2.05 2.98 -0.56 2.11 0.08 -0.03 -4.78 117.98 119.83 1j9s s PHE 183 Ca 0.14 -0.02 0.04 0.00 0.12 0.00 0.00 56.93 57.22 1j9s s PHE 183 Cb -0.16 -1.56 0.16 0.00 -0.57 0.00 0.00 43.02 40.89 1j9s s PHE 183 CO 0.10 0.46 0.37 0.71 -0.10 0.00 0.00 175.22 176.76 1j9s s TYR 184 N -1.23 2.68 -0.24 0.36 1.51 -1.26 -1.04 117.35 118.13 1j9s s TYR 184 Ca 0.23 -2.91 -0.19 0.00 -1.01 0.00 0.00 57.07 53.19 1j9s s TYR 184 Cb -0.12 -2.20 -0.02 0.00 -0.11 0.00 0.00 41.96 39.51 1j9s s TYR 184 CO 0.15 -0.68 0.57 0.08 -1.11 0.00 0.00 175.55 174.57 1j9s s VAL 185 N -0.58 5.03 0.64 0.71 1.01 -1.26 -4.76 120.40 121.19 1j9s s VAL 185 Ca 0.23 1.03 -0.18 0.00 0.00 0.00 0.00 61.98 63.06 1j9s s VAL 185 Cb -0.11 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1j9s s VAL 185 CO -0.11 0.08 1.28 -2.84 0.00 0.00 0.00 175.10 173.52 1j9s s PRO 186 N 2.25 2.63 0.16 2.72 0.02 -1.26 -4.89 135.00 136.62 1j9s s PRO 186 Ca 0.24 2.04 0.07 0.00 0.02 0.00 0.00 61.00 63.38 1j9s s PRO 186 Cb -0.16 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 1j9s s PRO 186 CO 0.09 -1.53 -0.16 1.03 -0.33 0.00 0.00 177.00 176.10 1j9s s ARG 187 N -3.36 1.21 0.79 5.54 0.52 -1.26 -1.42 118.95 120.98 1j9s s ARG 187 Ca 0.82 -1.41 -0.06 0.00 -0.52 0.00 0.00 55.73 54.56 1j9s s ARG 187 Cb -0.37 -1.13 0.15 0.00 0.52 0.00 0.00 34.95 34.12 1j9s s ARG 187 CO 0.39 0.21 1.10 0.16 0.02 0.00 0.00 175.30 177.18 1j9s s ASP 188 N -2.80 3.98 0.00 0.23 1.47 0.41 -4.85 116.67 115.11 1j9s s ASP 188 Ca 0.16 -0.16 0.01 0.00 1.18 0.00 0.00 52.55 53.73 1j9s s ASP 188 Cb -0.04 -0.12 0.02 0.00 -0.34 0.00 0.00 42.92 42.44 1j9s s ASP 188 CO 0.05 -2.13 0.98 -0.62 0.68 0.00 0.00 175.17 174.14 1j9s n GLU 189 N -3.12 0.00 -0.55 2.11 -0.58 -1.26 -0.99 120.64 116.25 1j9s n GLU 189 Ca 0.15 0.45 0.10 0.00 -0.42 0.00 0.00 57.16 57.44 1j9s n GLU 189 Cb 0.60 -1.50 0.34 0.00 -0.57 0.00 0.00 31.44 30.31 1j9s n GLU 189 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1j9s n ASN 190 N -1.46 4.51 -0.56 1.62 5.03 -1.26 -4.93 115.26 118.21 1j9s n ASN 190 Ca 0.00 -2.37 -0.07 0.00 0.87 0.00 0.00 54.58 53.01 1j9s n ASN 190 Cb 0.01 -0.54 -0.03 0.00 -1.02 0.00 0.00 39.78 38.19 1j9s n ASN 190 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j9s n GLY 191 N 1.12 0.91 3.79 7.41 0.00 -0.16 -5.00 105.19 113.25 1j9s n GLY 191 Ca 0.25 -0.39 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 1j9s n GLY 191 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j9s s LYS 192 N -2.32 3.92 0.21 1.61 2.20 -1.25 -4.84 119.74 119.27 1j9s s LYS 192 Ca 0.00 -0.12 -0.31 0.00 -0.36 0.00 0.00 55.97 55.19 1j9s s LYS 192 Cb 0.00 -3.33 -0.10 0.00 -1.51 0.00 0.00 37.83 32.89 1j9s s LYS 192 CO 0.00 0.48 1.54 0.71 -0.36 0.00 0.00 175.35 177.72 1j9s s TYR 193 N -0.20 2.99 0.45 4.03 1.51 -1.26 -0.45 117.35 124.42 1j9s s TYR 193 Ca 0.12 0.76 -0.12 0.00 -1.01 0.00 0.00 57.07 56.83 1j9s s TYR 193 Cb -0.12 -3.93 -0.06 0.00 -0.11 0.00 0.00 41.96 37.74 1j9s s TYR 193 CO 0.02 -3.26 0.84 0.15 -1.11 0.00 0.00 175.55 172.18 1j9s s LYS 194 N 0.40 3.80 0.14 -0.62 1.02 -0.50 -4.87 119.74 119.10 1j9s s LYS 194 Ca 0.66 0.59 0.11 0.00 0.02 0.00 0.00 55.97 57.35 1j9s s LYS 194 Cb -0.44 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 1j9s s LYS 194 CO 0.38 -0.13 -0.27 0.15 -0.92 0.00 0.00 175.35 174.56 1j9s s LYS 195 N -4.03 1.41 0.10 1.68 1.02 -1.26 -4.74 119.74 113.92 1j9s s LYS 195 Ca 0.53 -1.37 0.03 0.00 0.02 0.00 0.00 55.97 55.18 1j9s s LYS 195 Cb -0.10 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 1j9s s LYS 195 CO 0.33 0.44 -0.09 0.71 -0.92 0.00 0.00 175.35 175.83 1j9s s TYR 196 N -1.14 0.99 -2.44 3.18 2.02 -1.26 -5.04 117.35 113.65 1j9s s TYR 196 Ca 0.15 -0.72 0.25 0.00 -0.37 0.00 0.00 57.07 56.38 1j9s s TYR 196 Cb -0.10 -0.55 0.45 0.00 -0.40 0.00 0.00 41.96 41.36 1j9s s TYR 196 CO 0.07 -0.04 1.39 0.39 -1.57 0.00 0.00 175.55 175.78 1j9s n GLU 197 N 0.42 1.66 -3.60 -0.62 1.02 -1.26 -4.94 120.64 113.31 1j9s n GLU 197 Ca -0.15 -1.24 -0.16 0.00 -0.02 0.00 0.00 57.16 55.59 1j9s n GLU 197 Cb 0.58 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.46 1j9s n GLU 197 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1j9s s ALA 198 N -2.20 -1.44 0.11 0.62 0.00 -1.26 -5.06 121.76 112.53 1j9s s ALA 198 Ca 0.28 1.01 -0.26 0.00 0.00 0.00 0.00 51.96 52.99 1j9s s ALA 198 Cb 0.20 -0.01 -0.08 0.00 0.00 0.00 0.00 23.12 23.23 1j9s s ALA 198 CO 0.41 -0.33 1.65 -1.35 0.00 0.00 0.00 175.76 176.14 1j9s h PRO 199 N 3.35 -0.39 -0.19 0.00 0.11 -1.95 -2.43 132.00 130.50 1j9s h PRO 199 Ca -0.28 0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.91 1j9s h PRO 199 Cb 1.15 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1j9s h PRO 199 CO 0.38 -0.26 0.15 0.78 -0.21 0.00 0.00 178.00 178.85 1j9s h GLY 200 N -0.41 0.00 1.66 -0.55 0.00 -1.99 -2.42 103.07 99.36 1j9s h GLY 200 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1j9s h GLY 200 CO -0.16 0.00 0.17 -0.55 0.00 0.00 0.00 176.54 176.00 1j9s h ASP 201 N 0.00 0.40 0.31 0.19 3.45 -1.85 -2.46 116.42 116.46 1j9s h ASP 201 Ca 0.09 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.53 1j9s h ASP 201 Cb 0.39 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.06 1j9s h ASP 201 CO -0.00 0.33 -0.28 0.00 -1.57 0.00 0.00 179.24 177.73 1j9s n ALA 202 N -2.48 3.10 0.02 3.45 0.00 -0.91 -4.56 120.51 119.12 1j9s n ALA 202 Ca 0.02 -0.37 -0.13 0.00 0.00 0.00 0.00 53.44 52.96 1j9s n ALA 202 Cb 0.10 -1.16 -0.08 0.00 0.00 0.00 0.00 19.45 18.31 1j9s n ALA 202 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1j9s h TYR 203 N 0.90 -1.34 -0.44 0.00 5.03 -1.47 0.73 116.97 120.38 1j9s h TYR 203 Ca 0.00 0.05 0.07 0.00 2.58 0.00 0.00 58.73 61.42 1j9s h TYR 203 Cb 0.49 0.59 -0.06 0.00 1.55 0.00 0.00 36.73 39.30 1j9s h TYR 203 CO 0.00 -0.47 0.12 1.49 -1.32 0.00 0.00 178.16 177.98 1j9s h GLU 204 N -0.52 0.26 -0.78 1.82 4.81 -1.80 -1.29 114.58 117.07 1j9s h GLU 204 Ca 0.02 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1j9s h GLU 204 Cb 0.59 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 1j9s h GLU 204 CO -0.34 0.17 0.36 -0.44 -0.73 0.00 0.00 179.01 178.03 1j9s h ASP 205 N 0.26 1.04 -0.42 1.04 3.45 -1.80 -3.01 116.42 116.98 1j9s h ASP 205 Ca 0.21 -0.15 -0.08 0.00 0.43 0.00 0.00 57.03 57.45 1j9s h ASP 205 Cb 0.24 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.73 1j9s h ASP 205 CO -0.25 0.90 -0.06 0.74 -1.57 0.00 0.00 179.24 179.00 1j9s h THR 206 N 1.11 1.27 -0.63 0.35 2.02 -0.31 -2.97 112.91 113.75 1j9s h THR 206 Ca 0.27 -1.13 0.03 0.00 0.77 0.00 0.00 66.41 66.35 1j9s h THR 206 Cb 0.15 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.67 1j9s h THR 206 CO -0.03 0.38 0.42 0.58 0.37 0.00 0.00 175.52 177.24 1j9s h VAL 207 N 0.61 1.09 -0.65 3.16 2.07 -1.18 0.18 116.25 121.52 1j9s h VAL 207 Ca 0.11 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 1j9s h VAL 207 Cb 0.57 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 1j9s h VAL 207 CO 0.03 0.14 0.17 0.50 0.02 0.00 0.00 177.57 178.43 1j9s h LYS 208 N 0.76 1.03 -0.24 1.57 3.64 -1.39 -1.52 116.57 120.41 1j9s h LYS 208 Ca 0.25 -0.24 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 1j9s h LYS 208 Cb 0.07 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1j9s h LYS 208 CO -0.07 0.92 -0.54 0.28 -2.27 0.00 0.00 179.45 177.77 1j9s h VAL 209 N 0.95 1.30 -0.88 2.00 2.07 -1.15 -3.14 116.25 117.40 1j9s h VAL 209 Ca 0.21 -1.75 0.05 0.00 0.82 0.00 0.00 66.70 66.02 1j9s h VAL 209 Cb 0.34 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 1j9s h VAL 209 CO -0.00 0.56 0.56 0.24 0.02 0.00 0.00 177.57 178.95 1j9s h MET 210 N 0.55 1.01 0.00 1.57 2.86 -0.39 -2.23 114.93 118.29 1j9s h MET 210 Ca 0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1j9s h MET 210 Cb 1.11 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.54 1j9s h MET 210 CO 0.11 0.67 0.00 0.00 1.06 0.00 0.00 176.91 178.75 1j9s h ARG 211 N 1.04 0.00 0.00 1.72 3.08 -1.23 -0.59 114.38 118.40 1j9s h ARG 211 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.42 1j9s h ARG 211 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1j9s h ARG 211 CO -0.15 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.00 1j9s n THR 212 N -2.94 0.31 -1.87 2.04 -2.24 -0.84 -4.88 114.28 103.86 1j9s n THR 212 Ca -0.02 0.02 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1j9s n THR 212 Cb 0.12 -0.64 -0.05 0.00 -2.10 0.00 0.00 70.33 67.66 1j9s n THR 212 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1j9s n LEU 213 N -1.64 -1.45 -3.91 3.22 4.77 -0.23 -4.93 117.00 112.83 1j9s n LEU 213 Ca 0.06 0.29 -0.31 0.00 -0.03 0.00 0.00 56.01 56.03 1j9s n LEU 213 Cb 0.32 -2.59 -0.15 0.00 -2.33 0.00 0.00 43.42 38.66 1j9s n LEU 213 CO 0.25 -0.64 -0.33 -0.89 -1.33 0.00 0.00 177.39 174.44 1j9s s THR 214 N -2.67 1.73 0.58 -5.08 2.01 -1.26 -5.11 115.64 105.83 1j9s s THR 214 Ca 0.00 -1.96 -0.19 0.00 0.31 0.00 0.00 61.69 59.86 1j9s s THR 214 Cb 0.00 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 1j9s s THR 214 CO 0.00 -0.61 1.17 -2.16 -0.69 0.00 0.00 174.62 172.34 1j9s s PRO 215 N 1.18 3.10 0.15 4.92 0.04 -1.26 -4.92 135.00 138.22 1j9s s PRO 215 Ca 0.10 1.73 0.14 0.00 0.04 0.00 0.00 61.00 63.01 1j9s s PRO 215 Cb -0.18 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.32 1j9s s PRO 215 CO -0.14 -1.08 1.14 1.79 0.04 0.00 0.00 177.00 178.75 1j9s h THR 216 N 0.96 0.89 -3.75 1.26 1.35 -1.44 -3.46 112.91 108.72 1j9s h THR 216 Ca -0.50 -2.39 -0.19 0.00 -0.55 0.00 0.00 66.41 62.78 1j9s h THR 216 Cb 1.28 2.36 -0.24 0.00 -1.73 0.00 0.00 68.15 69.83 1j9s h THR 216 CO 0.56 0.50 -0.65 -1.00 -0.25 0.00 0.00 175.52 174.68 1j9s s HIS 217 N -2.87 0.09 -0.17 4.73 3.76 -1.12 -4.88 115.29 114.83 1j9s s HIS 217 Ca 0.00 -0.19 -0.03 0.00 -0.15 0.00 0.00 55.06 54.70 1j9s s HIS 217 Cb 0.08 -0.08 0.05 0.00 1.11 0.00 0.00 32.58 33.75 1j9s s HIS 217 CO 0.79 -0.14 0.03 0.08 -0.85 0.00 0.00 174.74 174.65 1j9s s VAL 218 N -0.83 0.47 0.18 -0.90 1.01 -0.55 -0.85 120.40 118.93 1j9s s VAL 218 Ca -0.09 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1j9s s VAL 218 Cb -0.06 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1j9s s VAL 218 CO -0.00 -0.13 -0.02 0.68 0.00 0.00 0.00 175.10 175.63 1j9s s VAL 219 N 1.89 0.86 -0.05 2.92 -7.23 -0.13 0.03 120.40 118.70 1j9s s VAL 219 Ca 0.00 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.15 1j9s s VAL 219 Cb -0.16 -2.10 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 1j9s s VAL 219 CO -0.08 -0.51 0.05 -0.36 -0.31 0.00 0.00 175.10 173.89 1j9s s PHE 220 N -3.53 3.24 -1.49 2.82 0.08 -1.26 0.21 117.98 118.04 1j9s s PHE 220 Ca 0.23 0.22 -0.14 0.00 0.12 0.00 0.00 56.93 57.36 1j9s s PHE 220 Cb 0.05 -1.77 0.11 0.00 -0.57 0.00 0.00 43.02 40.84 1j9s s PHE 220 CO 0.04 0.53 0.71 -1.71 -0.10 0.00 0.00 175.22 174.69 1j9s n ASN 221 N 1.66 -3.80 0.00 1.36 4.05 -0.83 -2.79 115.26 114.90 1j9s n ASN 221 Ca -0.16 -0.70 0.00 0.00 0.45 0.00 0.00 54.58 54.16 1j9s n ASN 221 Cb 0.53 -3.11 0.00 0.00 1.23 0.00 0.00 39.78 38.44 1j9s n ASN 221 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1j9s n GLY 222 N -1.36 1.59 3.50 8.20 0.00 -0.70 -4.76 105.19 111.66 1j9s n GLY 222 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1j9s n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9s s ALA 223 N -3.65 -1.79 0.21 4.61 0.00 -1.12 -4.61 121.76 115.41 1j9s s ALA 223 Ca 0.00 1.02 -0.31 0.00 0.00 0.00 0.00 51.96 52.66 1j9s s ALA 223 Cb 0.00 0.31 -0.11 0.00 0.00 0.00 0.00 23.12 23.32 1j9s s ALA 223 CO 0.00 -0.62 1.63 0.08 0.00 0.00 0.00 175.76 176.85 1j9s s VAL 224 N -2.77 2.27 0.00 0.00 1.01 0.36 -1.91 120.40 119.36 1j9s s VAL 224 Ca 0.02 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.20 1j9s s VAL 224 Cb -0.01 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1j9s s VAL 224 CO -0.06 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.66 1j9s n GLY 225 N 3.51 0.31 0.32 4.51 0.00 -1.26 -4.84 105.19 107.73 1j9s n GLY 225 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1j9s n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9s h ALA 226 N 0.00 1.33 -1.04 4.61 0.00 -1.60 -2.44 119.26 120.12 1j9s h ALA 226 Ca 0.00 0.07 -0.73 0.00 0.00 0.00 0.00 54.91 54.25 1j9s h ALA 226 Cb 0.38 -0.07 -0.29 0.00 0.00 0.00 0.00 17.79 17.81 1j9s h ALA 226 CO 0.00 -0.01 0.83 1.28 0.00 0.00 0.00 179.25 181.36 1j9s n LEU 227 N -4.80 7.28 -4.27 0.00 4.77 -1.26 -4.50 117.00 114.22 1j9s n LEU 227 Ca 0.17 -4.75 -0.15 0.00 -0.03 0.00 0.00 56.01 51.25 1j9s n LEU 227 Cb 0.41 -0.98 -0.10 0.00 -2.33 0.00 0.00 43.42 40.42 1j9s n LEU 227 CO 0.23 1.75 -0.23 0.42 -1.33 0.00 0.00 177.39 178.22 1j9s s THR 228 N -5.05 0.24 0.00 -5.08 -4.23 -0.92 -1.02 115.64 99.59 1j9s s THR 228 Ca 0.54 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1j9s s THR 228 Cb 0.45 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.74 1j9s s THR 228 CO -0.30 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1j9s n GLY 229 N -0.40 3.47 0.22 3.99 0.00 -1.26 -1.04 105.19 110.17 1j9s n GLY 229 Ca 0.01 0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1j9s n GLY 229 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1j9s h ASP 230 N 0.00 0.00 -0.04 1.61 2.03 -1.94 -1.25 116.42 116.82 1j9s h ASP 230 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1j9s h ASP 230 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1j9s h ASP 230 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 1j9s n LYS 231 N -2.36 1.66 -2.09 4.15 5.02 -0.21 -5.03 118.16 119.29 1j9s n LYS 231 Ca -0.01 -2.53 -0.40 0.00 -2.02 0.00 0.00 58.31 53.35 1j9s n LYS 231 Cb 0.27 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 33.76 1j9s n LYS 231 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j9s s ALA 232 N -2.71 3.36 0.56 7.82 0.00 -0.48 -3.98 121.76 126.34 1j9s s ALA 232 Ca 0.31 1.23 -0.16 0.00 0.00 0.00 0.00 51.96 53.34 1j9s s ALA 232 Cb 0.27 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 1j9s s ALA 232 CO 0.04 -0.73 1.03 -1.64 0.00 0.00 0.00 175.76 174.46 1j9s s MET 233 N -2.04 3.56 0.21 0.00 -1.94 -0.22 -4.82 119.30 114.04 1j9s s MET 233 Ca 0.53 1.12 0.07 0.00 -1.71 0.00 0.00 55.69 55.70 1j9s s MET 233 Cb -0.38 -2.07 -0.05 0.00 2.01 0.00 0.00 34.83 34.34 1j9s s MET 233 CO 0.50 -0.61 -0.12 0.95 -0.01 0.00 0.00 175.02 175.73 1j9s s THR 234 N -2.51 1.67 0.12 2.05 -4.23 -1.26 -0.46 115.64 111.02 1j9s s THR 234 Ca 0.62 -2.19 -0.25 0.00 -1.18 0.00 0.00 61.69 58.70 1j9s s THR 234 Cb -0.14 -2.10 0.08 0.00 1.34 0.00 0.00 72.50 71.68 1j9s s THR 234 CO 0.35 -0.55 1.11 0.00 -0.54 0.00 0.00 174.62 174.98 1j9s s ALA 235 N -3.01 -1.85 0.07 3.99 0.00 -1.04 -4.93 121.76 114.98 1j9s s ALA 235 Ca 0.23 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1j9s s ALA 235 Cb 0.00 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1j9s s ALA 235 CO 0.07 -1.08 -0.08 0.00 0.00 0.00 0.00 175.76 174.68 1j9s s ALA 236 N -2.27 0.76 0.17 0.00 0.00 -1.26 -1.80 121.76 117.35 1j9s s ALA 236 Ca 0.22 -1.00 -0.34 0.00 0.00 0.00 0.00 51.96 50.84 1j9s s ALA 236 Cb -0.01 0.08 -0.14 0.00 0.00 0.00 0.00 23.12 23.04 1j9s s ALA 236 CO 0.03 -0.09 1.48 0.28 0.00 0.00 0.00 175.76 177.46 1j9s n VAL 237 N 0.88 0.24 0.00 0.00 0.31 0.33 -1.00 118.33 119.09 1j9s n VAL 237 Ca -0.19 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1j9s n VAL 237 Cb 0.57 -1.37 0.00 0.00 -0.91 0.00 0.00 33.84 32.13 1j9s n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j9s n GLY 238 N 2.93 2.63 3.77 2.92 0.00 0.14 -4.99 105.19 112.60 1j9s n GLY 238 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1j9s n GLY 238 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j9s s GLU 239 N -0.91 4.58 -0.22 1.61 2.02 -0.17 -4.79 118.70 120.83 1j9s s GLU 239 Ca 0.00 1.52 -0.12 0.00 0.02 0.00 0.00 54.97 56.39 1j9s s GLU 239 Cb 0.00 -2.97 -0.05 0.00 0.10 0.00 0.00 34.13 31.22 1j9s s GLU 239 CO 0.00 0.24 0.22 0.15 0.02 0.00 0.00 175.26 175.89 1j9s s LYS 240 N -1.77 4.12 -0.05 1.61 1.02 -1.26 -1.96 119.74 121.45 1j9s s LYS 240 Ca 0.48 -0.12 0.03 0.00 0.02 0.00 0.00 55.97 56.38 1j9s s LYS 240 Cb -0.24 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.55 1j9s s LYS 240 CO 0.31 0.08 -0.14 0.08 -0.92 0.00 0.00 175.35 174.75 1j9s s VAL 241 N 1.00 1.23 -0.20 3.17 1.01 -0.02 0.16 120.40 126.74 1j9s s VAL 241 Ca 0.11 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.43 1j9s s VAL 241 Cb -0.13 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1j9s s VAL 241 CO 0.04 0.37 0.08 -0.22 0.00 0.00 0.00 175.10 175.37 1j9s s LEU 242 N 0.30 3.80 -0.33 3.92 2.96 -0.42 -1.11 118.68 127.80 1j9s s LEU 242 Ca -0.08 0.04 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1j9s s LEU 242 Cb -0.13 -1.98 0.06 0.00 0.50 0.00 0.00 46.19 44.65 1j9s s LEU 242 CO 0.03 0.12 0.05 -0.63 -1.32 0.00 0.00 176.35 174.59 1j9s s ILE 243 N 0.70 3.02 -0.01 6.68 1.01 0.12 -1.40 121.20 131.32 1j9s s ILE 243 Ca 0.04 -1.57 -0.21 0.00 0.00 0.00 0.00 60.65 58.91 1j9s s ILE 243 Cb -0.13 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.45 1j9s s ILE 243 CO 0.02 -0.26 0.63 -0.69 0.00 0.00 0.00 174.94 174.64 1j9s s VAL 244 N 1.21 4.91 -0.02 2.92 1.01 0.02 -1.64 120.40 128.82 1j9s s VAL 244 Ca -0.02 1.31 0.02 0.00 0.00 0.00 0.00 61.98 63.29 1j9s s VAL 244 Cb -0.20 -3.96 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1j9s s VAL 244 CO -0.02 0.39 -0.06 -2.28 0.00 0.00 0.00 175.10 173.13 1j9s s HIS 245 N -0.02 0.67 0.13 5.22 2.46 -0.36 -0.26 115.29 123.14 1j9s s HIS 245 Ca 0.33 -0.15 0.04 0.00 0.47 0.00 0.00 55.06 55.74 1j9s s HIS 245 Cb -0.18 -0.52 -0.04 0.00 -0.13 0.00 0.00 32.58 31.70 1j9s s HIS 245 CO 0.18 -0.10 -0.09 -1.54 -2.47 0.00 0.00 174.74 170.72 1j9s s SER 246 N 0.37 1.56 -0.28 9.88 1.04 -0.92 -0.34 113.70 125.01 1j9s s SER 246 Ca -0.05 -1.00 -0.01 0.00 0.48 0.00 0.00 55.95 55.37 1j9s s SER 246 Cb -0.09 0.03 0.17 0.00 0.10 0.00 0.00 66.02 66.23 1j9s s SER 246 CO -0.00 -0.37 0.53 -1.58 0.98 0.00 0.00 173.24 172.80 1j9s s GLN 247 N -3.75 0.50 0.06 4.02 -0.44 -0.97 -1.30 119.66 117.79 1j9s s GLN 247 Ca 0.15 0.82 0.28 0.00 -2.50 0.00 0.00 55.36 54.11 1j9s s GLN 247 Cb 0.03 0.23 1.11 0.00 -1.64 0.00 0.00 33.01 32.74 1j9s s GLN 247 CO -0.01 -0.67 1.88 0.00 0.50 0.00 0.00 175.29 176.99 1j9s n ALA 248 N 5.41 2.31 0.00 1.58 0.00 -1.26 -0.18 120.51 128.37 1j9s n ALA 248 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1j9s n ALA 248 Cb 0.51 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1j9s n ALA 248 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1j9s n ASN 249 N -1.72 1.48 -3.94 0.00 5.15 -1.26 -3.16 115.26 111.81 1j9s n ASN 249 Ca 0.07 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 53.95 1j9s n ASN 249 Cb 0.36 0.26 -0.11 0.00 -0.53 0.00 0.00 39.78 39.76 1j9s n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1j9s s ARG 250 N -0.77 0.32 0.73 1.20 3.52 -1.26 -4.69 118.95 117.99 1j9s s ARG 250 Ca 0.00 -0.49 -0.16 0.00 -0.13 0.00 0.00 55.73 54.95 1j9s s ARG 250 Cb 0.00 0.12 0.03 0.00 -1.56 0.00 0.00 34.95 33.54 1j9s s ARG 250 CO 0.00 -0.06 1.24 -0.25 -0.81 0.00 0.00 175.30 175.42 1j9s n ASP 251 N 1.73 1.52 -3.91 -2.12 10.43 -1.26 -3.51 116.55 119.42 1j9s n ASP 251 Ca -0.22 0.71 -0.09 0.00 2.57 0.00 0.00 54.79 57.76 1j9s n ASP 251 Cb 0.56 -1.53 -0.07 0.00 1.84 0.00 0.00 41.12 41.91 1j9s n ASP 251 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 1j9s s THR 252 N -1.75 0.12 -0.43 -3.53 -1.32 -0.24 -4.83 115.64 103.66 1j9s s THR 252 Ca 0.78 -1.30 0.04 0.00 -1.21 0.00 0.00 61.69 60.00 1j9s s THR 252 Cb -0.34 -1.54 0.17 0.00 -1.51 0.00 0.00 72.50 69.28 1j9s s THR 252 CO 0.46 -0.54 0.35 0.00 -2.21 0.00 0.00 174.62 172.67 1j9s s ARG 253 N -3.91 1.02 0.58 7.08 1.70 -1.26 -1.23 118.95 122.94 1j9s s ARG 253 Ca 0.10 -2.19 -0.21 0.00 -0.47 0.00 0.00 55.73 52.96 1j9s s ARG 253 Cb 0.05 -1.58 -0.04 0.00 -0.57 0.00 0.00 34.95 32.80 1j9s s ARG 253 CO -0.07 -1.37 1.33 -2.14 -1.08 0.00 0.00 175.30 171.96 1j9s s PRO 254 N -0.03 2.98 -0.24 3.89 0.02 -1.08 -0.32 135.00 140.21 1j9s s PRO 254 Ca 0.32 2.15 -0.12 0.00 0.02 0.00 0.00 61.00 63.36 1j9s s PRO 254 Cb 0.02 -2.12 0.08 0.00 0.02 0.00 0.00 34.50 32.50 1j9s s PRO 254 CO -0.19 -1.29 0.58 1.21 -0.33 0.00 0.00 177.00 176.98 1j9s s ASN 255 N -1.13 -0.79 -0.56 2.53 3.84 -0.34 -1.19 114.94 117.31 1j9s s ASN 255 Ca 0.75 1.30 -0.20 0.00 0.21 0.00 0.00 52.86 54.92 1j9s s ASN 255 Cb -0.39 1.35 0.08 0.00 -0.55 0.00 0.00 41.25 41.74 1j9s s ASN 255 CO 0.44 -0.22 0.72 -0.22 -2.79 0.00 0.00 177.10 175.03 1j9s s LEU 256 N 1.86 5.01 -0.18 3.21 2.96 -1.26 -1.50 118.68 128.78 1j9s s LEU 256 Ca -0.08 -1.09 -0.29 0.00 -0.22 0.00 0.00 54.13 52.44 1j9s s LEU 256 Cb -0.08 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.17 1j9s s LEU 256 CO -0.17 -1.07 1.67 -0.63 -1.32 0.00 0.00 176.35 174.83 1j9s s ILE 257 N 2.91 3.61 0.00 6.68 1.01 0.78 -1.16 121.20 135.04 1j9s s ILE 257 Ca 0.15 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.50 1j9s s ILE 257 Cb -0.20 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.67 1j9s s ILE 257 CO 0.10 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.42 1j9s n GLY 258 N 4.63 2.24 0.00 6.18 0.00 -1.26 -3.48 105.19 113.50 1j9s n GLY 258 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1j9s n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9s n GLY 259 N -1.57 6.01 3.71 -0.02 0.00 -0.31 -4.99 105.19 108.01 1j9s n GLY 259 Ca 0.00 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.14 1j9s n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j9s s HIS 260 N 1.33 0.42 -0.52 1.61 0.09 -1.25 -4.77 115.29 112.20 1j9s s HIS 260 Ca 0.00 -0.95 -0.06 0.00 -0.00 0.00 0.00 55.06 54.05 1j9s s HIS 260 Cb 0.00 0.54 0.13 0.00 -0.00 0.00 0.00 32.58 33.25 1j9s s HIS 260 CO 0.00 -1.42 0.36 0.20 -0.00 0.00 0.00 174.74 173.88 1j9s s GLY 261 N -3.12 2.19 0.18 -2.22 0.00 -0.10 -4.73 107.32 99.51 1j9s s GLY 261 Ca 0.20 -2.77 -0.13 0.00 0.00 0.00 0.00 44.72 42.02 1j9s s GLY 261 CO 0.14 1.10 1.83 -0.55 0.00 0.00 0.00 173.10 175.62 1j9s h ASP 262 N 7.95 0.66 -3.37 1.64 3.32 -1.57 0.23 116.42 125.29 1j9s h ASP 262 Ca -0.12 -0.03 -0.44 0.00 0.02 0.00 0.00 57.03 56.46 1j9s h ASP 262 Cb 1.03 -0.17 -0.35 0.00 0.22 0.00 0.00 39.33 40.07 1j9s h ASP 262 CO 0.77 0.49 -0.78 -0.31 -1.72 0.00 0.00 179.24 177.70 1j9s s TYR 263 N -6.09 0.88 -0.14 4.55 1.51 -0.96 -1.89 117.35 115.21 1j9s s TYR 263 Ca -0.13 -0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1j9s s TYR 263 Cb 0.13 -0.80 0.04 0.00 -0.11 0.00 0.00 41.96 41.21 1j9s s TYR 263 CO 0.75 -0.27 -0.01 0.08 -1.11 0.00 0.00 175.55 174.98 1j9s s VAL 264 N 1.27 0.72 -1.10 0.71 1.01 0.11 -0.17 120.40 122.94 1j9s s VAL 264 Ca -0.05 -0.35 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 1j9s s VAL 264 Cb -0.14 -0.97 0.15 0.00 0.00 0.00 0.00 36.38 35.42 1j9s s VAL 264 CO -0.02 0.10 1.33 0.26 0.00 0.00 0.00 175.10 176.77 1j9s s TRP 265 N 1.80 3.29 0.36 5.22 0.51 0.26 -0.31 118.94 130.08 1j9s s TRP 265 Ca 0.02 -1.79 0.05 0.00 -2.12 0.00 0.00 56.10 52.26 1j9s s TRP 265 Cb -0.15 -4.33 0.69 0.00 -0.81 0.00 0.00 33.47 28.87 1j9s s TRP 265 CO -0.07 -1.47 1.94 0.00 -0.51 0.00 0.00 176.95 176.84 1j9s h ALA 266 N 7.90 1.49 -0.00 0.98 0.00 -1.90 -0.11 119.26 127.62 1j9s h ALA 266 Ca 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1j9s h ALA 266 Cb 0.94 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1j9s h ALA 266 CO 1.21 0.38 -0.08 0.25 0.00 0.00 0.00 179.25 181.01 1j9s n THR 267 N -4.35 0.00 -0.98 0.00 -2.24 -1.26 -4.50 114.28 100.95 1j9s n THR 267 Ca 0.02 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1j9s n THR 267 Cb 0.17 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 1j9s n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9s n GLY 268 N 1.49 0.92 3.56 3.38 0.00 -0.11 -4.69 105.19 109.75 1j9s n GLY 268 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1j9s n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j9s s LYS 269 N -0.05 3.88 0.56 1.61 -0.14 -1.26 0.33 119.74 124.67 1j9s s LYS 269 Ca 0.00 -0.37 0.35 0.00 -1.36 0.00 0.00 55.97 54.59 1j9s s LYS 269 Cb 0.00 -3.44 1.55 0.00 -1.68 0.00 0.00 37.83 34.26 1j9s s LYS 269 CO 0.00 -0.05 2.05 0.74 -0.76 0.00 0.00 175.35 177.33 1j9s h PHE 270 N 7.85 0.00 -0.00 3.18 0.05 -1.74 -2.10 116.94 124.18 1j9s h PHE 270 Ca -0.37 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.42 1j9s h PHE 270 Cb 1.18 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.13 1j9s h PHE 270 CO 0.68 0.03 -0.04 0.09 -0.18 0.00 0.00 178.31 178.88 1j9s n ASN 271 N -3.15 0.19 -4.48 2.17 3.02 -1.26 -4.55 115.26 107.19 1j9s n ASN 271 Ca -0.00 -0.42 -0.42 0.00 -0.03 0.00 0.00 54.58 53.72 1j9s n ASN 271 Cb 0.27 -0.17 -0.10 0.00 -0.61 0.00 0.00 39.78 39.16 1j9s n ASN 271 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1j9s s THR 272 N -2.46 5.20 0.19 3.41 2.01 -0.79 -5.05 115.64 118.14 1j9s s THR 272 Ca 0.31 -0.48 -0.31 0.00 0.31 0.00 0.00 61.69 61.52 1j9s s THR 272 Cb 0.20 -3.79 -0.16 0.00 0.01 0.00 0.00 72.50 68.76 1j9s s THR 272 CO 0.46 -0.16 0.86 -2.65 -0.69 0.00 0.00 174.62 172.43 1j9s n PRO 273 N 5.12 0.61 -2.45 4.92 -0.02 -1.26 -4.86 135.00 137.06 1j9s n PRO 273 Ca -0.12 0.21 -0.34 0.00 -2.02 0.00 0.00 63.50 61.23 1j9s n PRO 273 Cb 0.48 -1.49 -0.02 0.00 -0.02 0.00 0.00 33.50 32.45 1j9s n PRO 273 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1j9s s PRO 274 N -0.85 3.66 0.62 0.52 0.04 -1.26 -4.93 135.00 132.80 1j9s s PRO 274 Ca 0.68 1.43 -0.11 0.00 0.04 0.00 0.00 61.00 63.04 1j9s s PRO 274 Cb -0.90 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.54 1j9s s PRO 274 CO 0.56 -0.56 1.03 -0.51 0.04 0.00 0.00 177.00 177.56 1j9s s ASP 275 N -1.94 6.15 0.14 6.66 1.01 0.58 -4.74 116.67 124.53 1j9s s ASP 275 Ca 0.69 1.45 0.05 0.00 0.71 0.00 0.00 52.55 55.45 1j9s s ASP 275 Cb -0.18 -2.47 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 1j9s s ASP 275 CO 0.22 -0.92 -0.12 0.68 0.21 0.00 0.00 175.17 175.24 1j9s s VAL 276 N -3.14 1.26 -1.46 -1.27 -7.23 -1.26 0.04 120.40 107.34 1j9s s VAL 276 Ca 0.56 -1.95 -0.05 0.00 -1.81 0.00 0.00 61.98 58.72 1j9s s VAL 276 Cb -0.11 -1.74 0.02 0.00 0.56 0.00 0.00 36.38 35.11 1j9s s VAL 276 CO 0.53 -0.63 0.48 0.47 -0.31 0.00 0.00 175.10 175.64 1j9s n ASP 277 N 0.03 -5.23 -4.77 4.85 10.43 -0.79 -4.94 116.55 116.13 1j9s n ASP 277 Ca -0.12 -0.26 -0.39 0.00 2.57 0.00 0.00 54.79 56.59 1j9s n ASP 277 Cb 0.59 -4.27 -0.02 0.00 1.84 0.00 0.00 41.12 39.26 1j9s n ASP 277 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1j9s s GLN 278 N -5.69 4.20 -0.26 -1.24 -1.52 0.04 -4.81 119.66 110.37 1j9s s GLN 278 Ca 0.28 1.92 -0.16 0.00 -1.95 0.00 0.00 55.36 55.46 1j9s s GLN 278 Cb -0.14 -2.83 -0.13 0.00 -0.22 0.00 0.00 33.01 29.69 1j9s s GLN 278 CO 0.35 -0.22 -0.23 -0.85 -0.25 0.00 0.00 175.29 174.09 1j9s n GLU 279 N 0.39 0.58 -3.85 2.91 0.28 -1.26 -0.92 120.64 118.77 1j9s n GLU 279 Ca 0.03 0.33 -0.19 0.00 -0.16 0.00 0.00 57.16 57.17 1j9s n GLU 279 Cb 0.45 -1.55 -0.17 0.00 1.43 0.00 0.00 31.44 31.60 1j9s n GLU 279 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1j9s s THR 280 N -2.48 0.19 0.47 3.84 2.01 -1.26 -4.28 115.64 114.12 1j9s s THR 280 Ca -0.36 0.15 0.08 0.00 0.31 0.00 0.00 61.69 61.87 1j9s s THR 280 Cb 0.13 -0.33 0.02 0.00 0.01 0.00 0.00 72.50 72.33 1j9s s THR 280 CO 0.51 0.18 0.49 -1.66 -0.69 0.00 0.00 174.62 173.46 1j9s s TRP 281 N 1.48 2.27 -0.06 4.92 -2.14 -0.33 -4.97 118.94 120.11 1j9s s TRP 281 Ca -0.03 -0.59 0.03 0.00 2.66 0.00 0.00 56.10 58.16 1j9s s TRP 281 Cb -0.13 -2.16 0.01 0.00 -3.10 0.00 0.00 33.47 28.09 1j9s s TRP 281 CO -0.03 -0.44 -0.13 0.12 -2.66 0.00 0.00 176.95 173.82 1j9s s PHE 282 N -2.55 1.44 -0.19 1.66 5.36 -1.26 -2.64 117.98 119.81 1j9s s PHE 282 Ca 0.49 -0.50 0.01 0.00 -0.96 0.00 0.00 56.93 55.96 1j9s s PHE 282 Cb -0.05 -1.05 0.04 0.00 -0.34 0.00 0.00 43.02 41.63 1j9s s PHE 282 CO 0.30 -0.25 -0.10 0.42 -1.46 0.00 0.00 175.22 174.13 1j9s s ILE 283 N 0.55 1.55 0.54 3.12 1.01 -0.36 -4.72 121.20 122.88 1j9s s ILE 283 Ca -0.12 -0.89 -0.18 0.00 0.00 0.00 0.00 60.65 59.46 1j9s s ILE 283 Cb -0.15 -1.61 -0.06 0.00 0.01 0.00 0.00 42.46 40.65 1j9s s ILE 283 CO 0.03 0.21 1.06 -2.16 0.00 0.00 0.00 174.94 174.08 1j9s s PRO 284 N 1.45 3.52 0.24 2.79 0.04 -1.26 -1.08 135.00 140.70 1j9s s PRO 284 Ca 0.00 1.34 -0.31 0.00 0.04 0.00 0.00 61.00 62.07 1j9s s PRO 284 Cb -0.15 -2.05 -0.13 0.00 0.04 0.00 0.00 34.50 32.20 1j9s s PRO 284 CO -0.08 -0.66 1.45 0.41 0.04 0.00 0.00 177.00 178.16 1j9s n GLY 285 N -0.48 0.90 0.39 0.56 0.00 -1.23 -2.13 105.19 103.20 1j9s n GLY 285 Ca 0.09 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1j9s n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9s n GLY 286 N 2.28 0.89 3.46 -0.02 0.00 0.75 -4.76 105.19 107.78 1j9s n GLY 286 Ca 0.12 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 1j9s n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9s s ALA 287 N -2.00 0.28 0.14 4.61 0.00 -0.90 -4.76 121.76 119.12 1j9s s ALA 287 Ca 0.00 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 50.86 1j9s s ALA 287 Cb 0.00 1.18 -0.04 0.00 0.00 0.00 0.00 23.12 24.26 1j9s s ALA 287 CO 0.00 -0.76 -0.18 0.00 0.00 0.00 0.00 175.76 174.81 1j9s s ALA 288 N -4.01 1.89 0.23 0.00 0.00 -1.26 -2.30 121.76 116.30 1j9s s ALA 288 Ca 0.28 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1j9s s ALA 288 Cb 0.02 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 1j9s s ALA 288 CO 0.11 0.25 0.11 0.20 0.00 0.00 0.00 175.76 176.43 1j9s s GLY 289 N -2.44 1.57 -0.08 0.00 0.00 0.54 -3.21 107.32 103.70 1j9s s GLY 289 Ca 0.12 -1.78 -0.05 0.00 0.00 0.00 0.00 44.72 43.01 1j9s s GLY 289 CO 0.06 -1.50 0.21 0.00 0.00 0.00 0.00 173.10 171.86 1j9s s ALA 290 N -3.94 -0.47 -0.03 3.20 0.00 -0.88 -1.22 121.76 118.42 1j9s s ALA 290 Ca 0.38 0.77 0.07 0.00 0.00 0.00 0.00 51.96 53.18 1j9s s ALA 290 Cb 0.07 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1j9s s ALA 290 CO 0.12 -0.15 -0.25 0.00 0.00 0.00 0.00 175.76 175.48 1j9s s ALA 291 N 0.84 2.20 -0.16 0.00 0.00 -0.65 -0.57 121.76 123.41 1j9s s ALA 291 Ca -0.06 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 50.79 1j9s s ALA 291 Cb -0.07 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 1j9s s ALA 291 CO -0.05 0.51 -0.11 0.12 0.00 0.00 0.00 175.76 176.23 1j9s s PHE 292 N -0.51 2.85 -0.04 0.00 2.19 0.76 0.11 117.98 123.34 1j9s s PHE 292 Ca 0.07 -0.83 -0.03 0.00 0.33 0.00 0.00 56.93 56.47 1j9s s PHE 292 Cb -0.11 -1.93 0.01 0.00 -1.31 0.00 0.00 43.02 39.69 1j9s s PHE 292 CO 0.00 -0.37 0.10 -0.47 1.83 0.00 0.00 175.22 176.31 1j9s s TYR 293 N 0.78 -0.11 -0.34 10.12 5.04 -0.27 -1.52 117.35 131.05 1j9s s TYR 293 Ca -0.04 0.28 -0.10 0.00 -2.44 0.00 0.00 57.07 54.77 1j9s s TYR 293 Cb -0.15 0.01 0.01 0.00 0.35 0.00 0.00 41.96 42.18 1j9s s TYR 293 CO 0.01 -0.07 0.17 0.99 -1.34 0.00 0.00 175.55 175.32 1j9s s THR 294 N 0.26 4.50 0.27 4.34 2.01 -1.26 -0.84 115.64 124.91 1j9s s THR 294 Ca -0.02 -0.70 -0.30 0.00 0.31 0.00 0.00 61.69 60.98 1j9s s THR 294 Cb -0.03 -3.42 -0.11 0.00 0.01 0.00 0.00 72.50 68.96 1j9s s THR 294 CO -0.01 -0.10 1.50 -0.36 -0.69 0.00 0.00 174.62 174.96 1j9s s PHE 295 N 1.56 2.90 0.00 4.92 0.40 -0.83 -4.87 117.98 122.07 1j9s s PHE 295 Ca 0.03 0.94 0.00 0.00 -0.60 0.00 0.00 56.93 57.30 1j9s s PHE 295 Cb -0.18 -3.92 0.00 0.00 0.51 0.00 0.00 43.02 39.42 1j9s s PHE 295 CO 0.06 -3.03 0.00 1.04 0.70 0.00 0.00 175.22 173.99 1j9s n GLN 296 N 2.19 5.70 -4.31 0.44 6.02 -1.26 0.28 117.38 126.44 1j9s n GLN 296 Ca 0.07 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.88 1j9s n GLN 296 Cb 0.39 -0.58 -0.15 0.00 1.02 0.00 0.00 30.24 30.93 1j9s n GLN 296 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1j9s s GLN 297 N -1.15 0.66 0.80 -1.09 -1.52 -1.26 -4.55 119.66 111.55 1j9s s GLN 297 Ca 0.00 -0.31 -0.11 0.00 -1.95 0.00 0.00 55.36 52.99 1j9s s GLN 297 Cb 0.00 -0.63 0.09 0.00 -0.22 0.00 0.00 33.01 32.25 1j9s s GLN 297 CO 0.00 0.17 1.15 -1.25 -0.25 0.00 0.00 175.29 175.11 1j9s s PRO 298 N -0.25 1.83 0.00 2.91 0.04 -1.26 -4.80 135.00 133.48 1j9s s PRO 298 Ca 0.03 -0.11 0.00 0.00 0.04 0.00 0.00 61.00 60.95 1j9s s PRO 298 Cb -0.03 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1j9s s PRO 298 CO -0.00 -1.61 0.00 0.41 0.04 0.00 0.00 177.00 175.84 1j9s n GLY 299 N -3.25 -0.33 3.79 0.56 0.00 0.94 -4.92 105.19 101.98 1j9s n GLY 299 Ca 0.09 -2.25 -0.38 0.00 0.00 0.00 0.00 46.02 43.48 1j9s n GLY 299 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1j9s s ILE 300 N -0.19 5.08 0.11 -0.61 2.07 -1.26 -0.33 121.20 126.08 1j9s s ILE 300 Ca 0.00 0.86 0.10 0.00 -1.41 0.00 0.00 60.65 60.20 1j9s s ILE 300 Cb 0.00 -3.74 -0.04 0.00 0.13 0.00 0.00 42.46 38.81 1j9s s ILE 300 CO 0.00 0.49 -0.24 -0.31 -1.91 0.00 0.00 174.94 172.97 1j9s s TYR 301 N -0.47 2.06 -0.08 3.50 1.51 0.26 -4.97 117.35 119.16 1j9s s TYR 301 Ca 0.24 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 1j9s s TYR 301 Cb -0.16 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.53 1j9s s TYR 301 CO 0.12 0.26 -0.08 0.00 -1.11 0.00 0.00 175.55 174.74 1j9s s ALA 302 N -1.09 2.91 -0.20 3.71 0.00 -1.23 -0.75 121.76 125.13 1j9s s ALA 302 Ca 0.10 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 1j9s s ALA 302 Cb -0.10 -1.24 0.01 0.00 0.00 0.00 0.00 23.12 21.80 1j9s s ALA 302 CO 0.05 0.50 -0.15 -0.47 0.00 0.00 0.00 175.76 175.69 1j9s s TYR 303 N -0.55 2.85 0.25 0.00 5.04 0.17 -0.16 117.35 124.96 1j9s s TYR 303 Ca 0.08 -1.45 0.01 0.00 -2.44 0.00 0.00 57.07 53.28 1j9s s TYR 303 Cb -0.12 -1.98 -0.04 0.00 0.35 0.00 0.00 41.96 40.17 1j9s s TYR 303 CO 0.02 -0.73 0.13 0.14 -1.34 0.00 0.00 175.55 173.77 1j9s s VAL 304 N 1.34 0.29 -0.26 3.14 -7.23 -0.56 0.10 120.40 117.23 1j9s s VAL 304 Ca 0.05 -2.00 -0.19 0.00 -1.81 0.00 0.00 61.98 58.03 1j9s s VAL 304 Cb -0.14 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 1j9s s VAL 304 CO -0.10 0.00 0.57 0.21 -0.31 0.00 0.00 175.10 175.47 1j9s s ASN 305 N -3.28 6.50 0.00 4.85 3.84 -1.07 -1.19 114.94 124.59 1j9s s ASN 305 Ca 0.38 0.61 0.00 0.00 0.21 0.00 0.00 52.86 54.05 1j9s s ASN 305 Cb 0.07 -2.31 0.00 0.00 -0.55 0.00 0.00 41.25 38.46 1j9s s ASN 305 CO 0.15 -0.33 0.66 1.57 -2.79 0.00 0.00 177.10 176.36 1j9s n HIS 306 N 5.63 0.00 -3.09 0.43 -0.00 0.57 -3.97 115.22 114.78 1j9s n HIS 306 Ca -0.02 -0.18 -0.44 0.00 -0.00 0.00 0.00 57.72 57.08 1j9s n HIS 306 Cb 0.49 -0.15 -0.05 0.00 -0.00 0.00 0.00 29.99 30.28 1j9s n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1j9s s ASN 307 N 0.35 6.21 0.63 0.26 3.84 -1.26 -4.90 114.94 120.07 1j9s s ASN 307 Ca 0.00 -1.11 0.35 0.00 0.21 0.00 0.00 52.86 52.32 1j9s s ASN 307 Cb 0.00 -2.32 2.00 0.00 -0.55 0.00 0.00 41.25 40.38 1j9s s ASN 307 CO 0.00 -1.06 2.22 -0.07 -2.79 0.00 0.00 177.10 175.40 1j9s h LEU 308 N 10.05 0.00 -0.15 3.21 3.38 -1.99 0.67 115.31 130.48 1j9s h LEU 308 Ca -0.28 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.58 1j9s h LEU 308 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1j9s h LEU 308 CO 1.05 0.00 -0.30 0.40 0.09 0.00 0.00 178.44 179.68 1j9s h ILE 309 N 0.00 1.36 -0.38 1.22 2.04 -1.90 0.13 117.51 119.97 1j9s h ILE 309 Ca 0.02 -1.56 -0.06 0.00 1.00 0.00 0.00 64.86 64.27 1j9s h ILE 309 Cb 0.21 1.98 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 1j9s h ILE 309 CO -0.00 0.47 0.00 -0.33 0.00 0.00 0.00 178.15 178.29 1j9s h GLU 310 N 0.10 0.60 -0.03 2.37 5.08 -1.25 0.18 114.58 121.63 1j9s h GLU 310 Ca 0.01 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.13 1j9s h GLU 310 Cb 0.90 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.07 1j9s h GLU 310 CO 0.07 0.62 -0.36 0.00 -1.00 0.00 0.00 179.01 178.34 1j9s h ALA 311 N 1.44 0.08 0.00 3.43 0.00 -1.07 -0.86 119.26 122.28 1j9s h ALA 311 Ca 0.12 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1j9s h ALA 311 Cb 0.36 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1j9s h ALA 311 CO 0.01 0.19 -0.80 1.19 0.00 0.00 0.00 179.25 179.83 1j9s n PHE 312 N -4.41 0.00 -0.07 0.00 3.01 0.43 -2.58 117.46 113.84 1j9s n PHE 312 Ca -0.09 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.27 1j9s n PHE 312 Cb 0.54 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 39.94 1j9s n PHE 312 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1j9s n GLU 313 N -1.41 0.51 0.04 -1.08 -0.58 0.55 -4.73 120.64 113.94 1j9s n GLU 313 Ca 0.03 0.08 0.11 0.00 -0.42 0.00 0.00 57.16 56.96 1j9s n GLU 313 Cb 0.26 -1.29 0.01 0.00 -0.57 0.00 0.00 31.44 29.86 1j9s n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1j9s n LEU 314 N -2.88 0.60 0.00 -4.62 4.32 -0.58 -5.01 117.00 108.83 1j9s n LEU 314 Ca -0.25 0.04 0.00 0.00 -0.02 0.00 0.00 56.01 55.78 1j9s n LEU 314 Cb 0.78 -0.09 0.00 0.00 -1.62 0.00 0.00 43.42 42.49 1j9s n LEU 314 CO 0.15 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.94 1j9s n GLY 315 N 1.33 0.83 2.53 -0.72 0.00 -0.88 -1.48 105.19 106.81 1j9s n GLY 315 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1j9s n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9s n ALA 316 N -0.70 6.57 -3.63 4.61 0.00 0.10 -4.25 120.51 123.22 1j9s n ALA 316 Ca 0.00 -3.80 -0.14 0.00 0.00 0.00 0.00 53.44 49.50 1j9s n ALA 316 Cb 0.00 -3.32 -0.14 0.00 0.00 0.00 0.00 19.45 15.99 1j9s n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j9s s ALA 317 N 1.93 -0.23 0.30 0.00 0.00 -1.25 -2.59 121.76 119.92 1j9s s ALA 317 Ca 0.57 0.59 0.07 0.00 0.00 0.00 0.00 51.96 53.19 1j9s s ALA 317 Cb 0.16 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.82 1j9s s ALA 317 CO -0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 175.76 175.51 1j9s s ALA 318 N 0.99 2.52 0.16 0.00 0.00 0.12 -4.56 121.76 120.99 1j9s s ALA 318 Ca -0.08 -1.98 0.10 0.00 0.00 0.00 0.00 51.96 50.00 1j9s s ALA 318 Cb -0.10 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 1j9s s ALA 318 CO -0.05 -0.07 -0.22 -1.01 0.00 0.00 0.00 175.76 174.41 1j9s s HIS 319 N -2.94 2.10 -0.07 0.00 3.76 -0.18 0.41 115.29 118.36 1j9s s HIS 319 Ca 0.31 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.85 1j9s s HIS 319 Cb 0.04 -1.07 0.01 0.00 1.11 0.00 0.00 32.58 32.68 1j9s s HIS 319 CO 0.14 0.39 -0.14 -0.06 -0.85 0.00 0.00 174.74 174.21 1j9s s PHE 320 N -1.62 1.63 -0.28 1.40 0.08 0.08 -1.06 117.98 118.21 1j9s s PHE 320 Ca 0.16 -0.62 -0.06 0.00 0.12 0.00 0.00 56.93 56.54 1j9s s PHE 320 Cb -0.08 -1.17 0.00 0.00 -0.57 0.00 0.00 43.02 41.20 1j9s s PHE 320 CO 0.08 -0.30 0.06 0.15 -0.10 0.00 0.00 175.22 175.11 1j9s s LYS 321 N 0.60 3.20 -0.12 0.44 1.02 0.39 -0.58 119.74 124.69 1j9s s LYS 321 Ca -0.15 -0.78 -0.00 0.00 0.02 0.00 0.00 55.97 55.06 1j9s s LYS 321 Cb -0.16 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 1j9s s LYS 321 CO 0.05 -0.37 -0.12 0.08 -0.92 0.00 0.00 175.35 174.06 1j9s s VAL 322 N 1.51 3.14 0.38 3.17 1.01 0.55 -2.51 120.40 127.66 1j9s s VAL 322 Ca 0.03 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1j9s s VAL 322 Cb -0.16 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1j9s s VAL 322 CO 0.02 0.53 0.58 0.42 0.00 0.00 0.00 175.10 176.64 1j9s s THR 323 N 0.21 4.42 -3.23 3.92 -4.23 -0.74 -0.04 115.64 115.95 1j9s s THR 323 Ca -0.08 -0.62 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 1j9s s THR 323 Cb -0.15 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1j9s s THR 323 CO 0.05 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1j9s n GLY 324 N -1.87 0.90 3.79 3.99 0.00 -1.26 -0.51 105.19 110.24 1j9s n GLY 324 Ca -0.01 -2.07 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 1j9s n GLY 324 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j9s s GLU 325 N -1.09 4.09 0.34 1.61 0.41 -1.26 -4.69 118.70 118.11 1j9s s GLU 325 Ca 0.00 0.45 -0.28 0.00 -0.41 0.00 0.00 54.97 54.73 1j9s s GLU 325 Cb 0.00 -3.30 -0.10 0.00 -1.78 0.00 0.00 34.13 28.96 1j9s s GLU 325 CO 0.00 0.51 1.24 -0.46 -0.49 0.00 0.00 175.26 176.05 1j9s s TRP 326 N -0.51 3.15 -0.47 1.61 -0.11 -1.26 -4.43 118.94 116.92 1j9s s TRP 326 Ca 0.25 1.50 -0.10 0.00 1.22 0.00 0.00 56.10 58.97 1j9s s TRP 326 Cb -0.16 -3.54 0.11 0.00 -1.50 0.00 0.00 33.47 28.37 1j9s s TRP 326 CO 0.13 -1.50 0.35 1.21 -4.62 0.00 0.00 176.95 172.52 1j9s s ASN 327 N -0.71 5.77 0.47 5.86 3.84 -1.26 -4.95 114.94 123.97 1j9s s ASN 327 Ca 0.50 -1.80 0.31 0.00 0.21 0.00 0.00 52.86 52.09 1j9s s ASN 327 Cb -0.36 -2.04 1.31 0.00 -0.55 0.00 0.00 41.25 39.61 1j9s s ASN 327 CO 0.47 -0.68 1.92 0.44 -2.79 0.00 0.00 177.10 176.46 1j9s h ASP 328 N 8.51 0.00 -0.08 -4.21 5.19 -1.95 -2.67 116.42 121.22 1j9s h ASP 328 Ca -0.23 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.16 1j9s h ASP 328 Cb 1.08 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.59 1j9s h ASP 328 CO 0.87 0.00 -0.04 -0.78 -3.12 0.00 0.00 179.24 176.16 1j9s h ASP 329 N 0.00 0.17 -0.72 6.45 -0.00 -2.02 -3.22 116.42 117.08 1j9s h ASP 329 Ca 0.00 -0.42 -0.06 0.00 -0.00 0.00 0.00 57.03 56.54 1j9s h ASP 329 Cb 0.44 -0.05 -0.03 0.00 -0.00 0.00 0.00 39.33 39.69 1j9s h ASP 329 CO 0.00 0.56 0.20 -0.07 -0.00 0.00 0.00 179.24 179.93 1j9s h LEU 330 N -0.21 1.08 -7.00 2.28 3.38 -1.94 -3.45 115.31 109.45 1j9s h LEU 330 Ca 0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1j9s h LEU 330 Cb 0.49 -0.28 -0.22 0.00 0.09 0.00 0.00 40.66 40.75 1j9s h LEU 330 CO 0.01 1.02 0.14 -0.32 0.09 0.00 0.00 178.44 179.38 1j9s s MET 331 N -5.36 0.78 -0.10 1.13 0.00 -1.03 -5.14 119.30 109.58 1j9s s MET 331 Ca -0.12 1.01 -0.19 0.00 0.00 0.00 0.00 55.69 56.38 1j9s s MET 331 Cb 0.15 0.34 0.04 0.00 0.00 0.00 0.00 34.83 35.36 1j9s s MET 331 CO 0.84 -0.11 0.47 -0.08 0.00 0.00 0.00 175.02 176.15 1j9s s THR 332 N 0.62 0.02 -0.73 10.11 -1.32 -1.26 -4.09 115.64 119.00 1j9s s THR 332 Ca -0.02 -0.15 -0.22 0.00 -1.21 0.00 0.00 61.69 60.09 1j9s s THR 332 Cb -0.05 -0.72 0.08 0.00 -1.51 0.00 0.00 72.50 70.30 1j9s s THR 332 CO -0.04 -0.09 1.03 -0.55 -2.21 0.00 0.00 174.62 172.76 1j9s s SER 333 N -0.55 6.26 0.17 8.08 0.15 -1.26 -4.87 113.70 121.69 1j9s s SER 333 Ca -0.07 -1.17 -0.14 0.00 0.70 0.00 0.00 55.95 55.28 1j9s s SER 333 Cb -0.03 -2.43 0.08 0.00 -1.71 0.00 0.00 66.02 61.93 1j9s s SER 333 CO 0.04 -1.40 1.82 0.58 1.20 0.00 0.00 173.24 175.48 1j9s h VAL 334 N 5.99 1.08 -3.23 4.45 2.07 -2.01 -3.39 116.25 121.19 1j9s h VAL 334 Ca -0.19 -0.22 -0.46 0.00 0.82 0.00 0.00 66.70 66.65 1j9s h VAL 334 Cb 1.06 0.39 -0.39 0.00 -1.52 0.00 0.00 31.29 30.82 1j9s h VAL 334 CO 1.18 0.12 -0.76 -0.22 0.02 0.00 0.00 177.57 177.91 1j9s s LEU 335 N -10.19 0.70 0.71 2.57 2.96 -1.26 -5.14 118.68 109.03 1j9s s LEU 335 Ca -0.13 -0.39 -0.13 0.00 -0.22 0.00 0.00 54.13 53.26 1j9s s LEU 335 Cb 0.13 -0.43 0.03 0.00 0.50 0.00 0.00 46.19 46.41 1j9s s LEU 335 CO 0.74 -0.26 1.11 0.00 -1.32 0.00 0.00 176.35 176.62 1j9s s ALA 336 N 1.98 2.34 -0.25 5.97 0.00 -1.26 -4.87 121.76 125.66 1j9s s ALA 336 Ca 0.03 0.49 -0.41 0.00 0.00 0.00 0.00 51.96 52.07 1j9s s ALA 336 Cb -0.14 -3.32 -0.17 0.00 0.00 0.00 0.00 23.12 19.49 1j9s s ALA 336 CO -0.06 -1.53 1.63 -2.30 0.00 0.00 0.00 175.76 173.49 1j9s n PRO 337 N -2.85 0.88 -3.79 0.00 -0.02 -1.26 -4.91 135.00 123.05 1j9s n PRO 337 Ca 0.10 0.32 -0.08 0.00 -2.02 0.00 0.00 63.50 61.83 1j9s n PRO 337 Cb 0.52 -1.96 -0.02 0.00 -0.02 0.00 0.00 33.50 32.02 1j9s n PRO 337 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1j9s s SER 338 N 2.82 -0.30 0.00 2.55 1.04 -1.26 -5.29 113.70 113.26 1j9s s SER 338 Ca 0.97 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1j9s s SER 338 Cb -1.14 0.70 0.00 0.00 0.10 0.00 0.00 66.02 65.67 1j9s s SER 338 CO 0.66 -1.27 0.26 0.61 0.98 0.00 0.00 173.24 174.48