#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j96 n ASP 2 N 0.00 1.14 -0.07 1.67 8.00 -1.26 -3.90 116.55 122.12 1j96 n ASP 2 Ca 0.00 -0.97 0.14 0.00 0.71 0.00 0.00 54.79 54.66 1j96 n ASP 2 Cb 0.00 0.16 0.56 0.00 -0.02 0.00 0.00 41.12 41.82 1j96 n ASP 2 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1j96 n SER 3 N -0.55 0.38 -4.56 -2.24 3.41 -1.26 -4.80 113.62 103.99 1j96 n SER 3 Ca 0.12 -0.31 -0.30 0.00 -0.26 0.00 0.00 58.87 58.12 1j96 n SER 3 Cb 0.36 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.10 1j96 n SER 3 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1j96 s LYS 4 N -2.66 2.14 0.03 4.33 1.02 -1.25 -5.12 119.74 118.23 1j96 s LYS 4 Ca 0.23 -1.00 -0.27 0.00 0.02 0.00 0.00 55.97 54.95 1j96 s LYS 4 Cb 0.19 -2.30 0.07 0.00 -0.52 0.00 0.00 37.83 35.27 1j96 s LYS 4 CO 0.52 0.52 0.63 1.52 -0.92 0.00 0.00 175.35 177.62 1j96 s TYR 5 N -1.16 -0.59 0.09 3.18 -0.85 -1.26 -5.01 117.35 111.76 1j96 s TYR 5 Ca 0.20 0.77 -0.31 0.00 -0.52 0.00 0.00 57.07 57.21 1j96 s TYR 5 Cb -0.11 0.45 -0.07 0.00 0.38 0.00 0.00 41.96 42.61 1j96 s TYR 5 CO 0.12 -0.69 1.36 -0.65 -1.52 0.00 0.00 175.55 174.16 1j96 s GLN 6 N -2.21 4.34 0.29 -3.49 -0.21 -1.26 -5.00 119.66 112.12 1j96 s GLN 6 Ca -0.06 2.01 0.04 0.00 0.02 0.00 0.00 55.36 57.37 1j96 s GLN 6 Cb -0.00 -3.30 -0.03 0.00 1.00 0.00 0.00 33.01 30.67 1j96 s GLN 6 CO 0.01 -0.42 0.21 0.00 -2.12 0.00 0.00 175.29 172.97 1j96 s VAL 8 N -3.67 0.85 -0.19 0.00 0.11 0.12 -4.84 120.40 112.77 1j96 s VAL 8 Ca 0.39 -0.45 -0.29 0.00 -2.93 0.00 0.00 61.98 58.70 1j96 s VAL 8 Cb 0.04 -0.72 0.00 0.00 -1.53 0.00 0.00 36.38 34.17 1j96 s VAL 8 CO 0.21 0.25 1.07 -0.75 -3.33 0.00 0.00 175.10 172.54 1j96 s LYS 9 N -0.16 4.29 0.74 1.54 2.20 -1.26 -1.12 119.74 125.97 1j96 s LYS 9 Ca 0.03 1.41 -0.12 0.00 -0.36 0.00 0.00 55.97 56.93 1j96 s LYS 9 Cb -0.05 -3.63 0.04 0.00 -1.51 0.00 0.00 37.83 32.67 1j96 s LYS 9 CO -0.00 -0.58 1.11 -0.51 -0.36 0.00 0.00 175.35 175.01 1j96 s LEU 10 N 2.99 2.76 0.00 5.43 1.43 0.70 -4.95 118.68 127.04 1j96 s LEU 10 Ca 0.46 1.09 0.19 0.00 -1.03 0.00 0.00 54.13 54.84 1j96 s LEU 10 Cb -0.17 -3.80 1.08 0.00 0.03 0.00 0.00 46.19 43.33 1j96 s LEU 10 CO 0.10 -1.56 1.52 -0.46 0.23 0.00 0.00 176.35 176.17 1j96 n ASN 11 N -3.14 0.00 -0.70 2.29 0.23 -1.26 -1.17 115.26 111.50 1j96 n ASN 11 Ca 0.07 -0.47 0.07 0.00 -0.53 0.00 0.00 54.58 53.73 1j96 n ASN 11 Cb 0.58 -0.06 0.13 0.00 -2.08 0.00 0.00 39.78 38.35 1j96 n ASN 11 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1j96 n ASP 12 N -1.06 2.69 0.00 0.53 5.75 -1.26 -4.99 116.55 118.21 1j96 n ASP 12 Ca 0.13 -1.79 0.00 0.00 -0.01 0.00 0.00 54.79 53.12 1j96 n ASP 12 Cb 0.08 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1j96 n ASP 12 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1j96 n GLY 13 N 0.83 1.78 3.87 6.12 0.00 -0.31 -5.06 105.19 112.42 1j96 n GLY 13 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1j96 n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j96 s HIS 14 N -2.34 3.60 -0.11 1.61 3.76 -1.26 -4.75 115.29 115.80 1j96 s HIS 14 Ca 0.00 1.24 -0.01 0.00 -0.15 0.00 0.00 55.06 56.14 1j96 s HIS 14 Cb 0.00 -2.72 -0.02 0.00 1.11 0.00 0.00 32.58 30.95 1j96 s HIS 14 CO 0.00 -0.70 -0.08 -0.06 -0.85 0.00 0.00 174.74 173.05 1j96 s PHE 15 N -3.17 2.91 -0.17 1.40 0.40 -1.26 -0.21 117.98 117.87 1j96 s PHE 15 Ca 0.55 -0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.57 1j96 s PHE 15 Cb -0.11 -1.82 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 1j96 s PHE 15 CO 0.53 0.05 -0.08 1.41 0.70 0.00 0.00 175.22 177.83 1j96 s MET 16 N -0.10 3.40 0.39 0.44 -2.45 -0.27 -4.90 119.30 115.81 1j96 s MET 16 Ca 0.00 -0.64 -0.27 0.00 -1.25 0.00 0.00 55.69 53.53 1j96 s MET 16 Cb -0.13 -2.82 -0.10 0.00 1.25 0.00 0.00 34.83 33.02 1j96 s MET 16 CO 0.03 0.03 1.43 -2.14 1.05 0.00 0.00 175.02 175.42 1j96 s PRO 17 N 0.86 4.05 0.16 4.11 0.02 -1.26 -0.71 135.00 142.23 1j96 s PRO 17 Ca -0.02 2.45 0.27 0.00 0.02 0.00 0.00 61.00 63.72 1j96 s PRO 17 Cb -0.15 -2.90 0.89 0.00 0.02 0.00 0.00 34.50 32.36 1j96 s PRO 17 CO 0.01 -0.54 1.80 1.33 -0.33 0.00 0.00 177.00 179.27 1j96 n VAL 18 N 0.34 0.46 -3.97 3.83 0.24 -0.61 -4.58 118.33 114.04 1j96 n VAL 18 Ca 0.02 -0.22 -0.34 0.00 -2.04 0.00 0.00 64.34 61.75 1j96 n VAL 18 Cb 0.40 -0.55 -0.15 0.00 -1.47 0.00 0.00 33.84 32.08 1j96 n VAL 18 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1j96 s LEU 19 N -4.18 2.70 0.13 1.34 2.96 -1.26 -1.41 118.68 118.96 1j96 s LEU 19 Ca 0.11 -0.51 0.09 0.00 -0.22 0.00 0.00 54.13 53.60 1j96 s LEU 19 Cb 0.14 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 1j96 s LEU 19 CO 0.59 -0.02 -0.16 -0.83 -1.32 0.00 0.00 176.35 174.60 1j96 s GLY 20 N 1.41 1.71 -0.31 7.98 0.00 0.29 -4.04 107.32 114.36 1j96 s GLY 20 Ca 0.05 -1.37 -0.16 0.00 0.00 0.00 0.00 44.72 43.24 1j96 s GLY 20 CO -0.06 -1.36 0.41 -0.12 0.00 0.00 0.00 173.10 171.97 1j96 s PHE 21 N -1.26 3.22 0.16 1.90 5.36 0.60 -0.93 117.98 127.03 1j96 s PHE 21 Ca 0.19 0.24 -0.29 0.00 -0.96 0.00 0.00 56.93 56.11 1j96 s PHE 21 Cb -0.10 -2.69 -0.07 0.00 -0.34 0.00 0.00 43.02 39.81 1j96 s PHE 21 CO 0.11 -0.37 0.92 0.20 -1.46 0.00 0.00 175.22 174.63 1j96 s GLY 22 N 1.69 3.02 0.00 13.12 0.00 -0.53 -0.76 107.32 123.86 1j96 s GLY 22 Ca 0.15 0.55 0.05 0.00 0.00 0.00 0.00 44.72 45.48 1j96 s GLY 22 CO 0.11 1.27 0.55 -1.30 0.00 0.00 0.00 173.10 173.73 1j96 n THR 23 N 2.18 0.00 -2.38 0.90 -2.24 -1.11 -4.19 114.28 107.44 1j96 n THR 23 Ca -0.00 -0.47 -0.40 0.00 -2.27 0.00 0.00 64.05 60.90 1j96 n THR 23 Cb 0.48 1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 1j96 n THR 23 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1j96 s TYR 24 N -0.73 3.44 -0.00 4.78 5.04 -1.26 -5.00 117.35 123.61 1j96 s TYR 24 Ca 0.05 1.61 -0.08 0.00 -2.44 0.00 0.00 57.07 56.21 1j96 s TYR 24 Cb 0.04 -3.39 0.00 0.00 0.35 0.00 0.00 41.96 38.97 1j96 s TYR 24 CO 0.11 -0.92 0.15 0.00 -1.34 0.00 0.00 175.55 173.55 1j96 s ALA 25 N -1.05 -0.37 0.70 3.97 0.00 -1.26 -5.00 121.76 118.74 1j96 s ALA 25 Ca 0.46 -0.05 -0.16 0.00 0.00 0.00 0.00 51.96 52.21 1j96 s ALA 25 Cb -0.34 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 1j96 s ALA 25 CO 0.43 -0.20 0.66 -2.30 0.00 0.00 0.00 175.76 174.35 1j96 n PRO 26 N 1.56 0.41 0.23 0.00 -0.02 -1.26 -4.86 135.00 131.06 1j96 n PRO 26 Ca -0.22 0.18 0.15 0.00 -2.02 0.00 0.00 63.50 61.59 1j96 n PRO 26 Cb 0.56 -1.92 0.82 0.00 -0.02 0.00 0.00 33.50 32.93 1j96 n PRO 26 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j96 h ALA 27 N -0.22 1.79 -0.12 3.55 0.00 -2.01 -1.84 119.26 120.41 1j96 h ALA 27 Ca -0.46 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.46 1j96 h ALA 27 Cb 1.35 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1j96 h ALA 27 CO 0.45 -0.16 0.08 0.93 0.00 0.00 0.00 179.25 180.54 1j96 h GLU 28 N 0.00 0.08 -6.15 0.00 4.39 -2.05 -3.42 114.58 107.43 1j96 h GLU 28 Ca 0.05 -0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.18 1j96 h GLU 28 Cb 0.27 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 1j96 h GLU 28 CO -0.00 0.05 0.79 0.08 -1.16 0.00 0.00 179.01 178.77 1j96 s VAL 29 N -5.12 4.52 0.52 3.13 1.01 -0.69 -5.01 120.40 118.76 1j96 s VAL 29 Ca -0.05 1.83 -0.22 0.00 0.00 0.00 0.00 61.98 63.54 1j96 s VAL 29 Cb 0.17 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 1j96 s VAL 29 CO 0.69 -0.12 1.16 -2.65 0.00 0.00 0.00 175.10 174.17 1j96 n PRO 30 N 6.13 1.42 0.28 2.72 -0.02 -1.26 -4.90 135.00 139.38 1j96 n PRO 30 Ca 0.12 0.52 0.16 0.00 -2.02 0.00 0.00 63.50 62.29 1j96 n PRO 30 Cb 0.46 -2.33 0.81 0.00 -0.02 0.00 0.00 33.50 32.42 1j96 n PRO 30 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1j96 h LYS 31 N 1.25 0.00 -0.39 -0.52 1.79 -1.95 -1.81 116.57 114.95 1j96 h LYS 31 Ca -0.49 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.06 1j96 h LYS 31 Cb 1.33 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.96 1j96 h LYS 31 CO 0.55 0.07 0.27 0.66 -1.08 0.00 0.00 179.45 179.92 1j96 h SER 32 N 0.00 0.19 -0.23 0.86 4.64 -2.01 -0.79 113.55 116.21 1j96 h SER 32 Ca -0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1j96 h SER 32 Cb 0.34 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1j96 h SER 32 CO 0.01 0.12 -0.19 0.11 -0.87 0.00 0.00 176.83 176.01 1j96 h LYS 33 N 0.22 0.68 -0.43 4.77 1.79 -1.69 -2.40 116.57 119.51 1j96 h LYS 33 Ca 0.18 -0.25 -0.12 0.00 -2.18 0.00 0.00 60.65 58.28 1j96 h LYS 33 Cb 0.43 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 1j96 h LYS 33 CO -0.03 0.83 -0.20 0.00 -1.08 0.00 0.00 179.45 178.97 1j96 h ALA 34 N 1.18 0.61 0.04 3.86 0.00 -1.27 -0.51 119.26 123.16 1j96 h ALA 34 Ca 0.09 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1j96 h ALA 34 Cb 0.66 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1j96 h ALA 34 CO 0.05 0.57 -0.06 1.25 0.00 0.00 0.00 179.25 181.07 1j96 h LEU 35 N 0.73 -0.16 -0.56 0.00 5.85 -1.47 -1.32 115.31 118.39 1j96 h LEU 35 Ca 0.10 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1j96 h LEU 35 Cb 0.77 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1j96 h LEU 35 CO 0.06 -0.09 0.18 -0.08 -0.34 0.00 0.00 178.44 178.18 1j96 h GLU 36 N -0.12 0.86 -0.51 1.25 4.57 -1.40 -2.52 114.58 116.71 1j96 h GLU 36 Ca 0.01 -0.18 -0.00 0.00 -1.18 0.00 0.00 59.36 58.01 1j96 h GLU 36 Cb 0.13 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1j96 h GLU 36 CO -0.03 0.77 0.30 0.00 -1.18 0.00 0.00 179.01 178.88 1j96 h ALA 37 N 1.05 0.65 -0.74 2.92 0.00 -0.87 -1.00 119.26 121.26 1j96 h ALA 37 Ca 0.18 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1j96 h ALA 37 Cb 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1j96 h ALA 37 CO -0.01 0.14 0.24 0.28 0.00 0.00 0.00 179.25 179.90 1j96 h VAL 38 N 0.68 1.26 -0.51 0.00 2.07 -1.15 0.42 116.25 119.02 1j96 h VAL 38 Ca 0.18 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1j96 h VAL 38 Cb -0.00 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 1j96 h VAL 38 CO -0.03 0.35 0.34 0.11 0.02 0.00 0.00 177.57 178.36 1j96 h LYS 39 N 1.10 0.68 -0.70 1.57 1.57 -1.16 -0.97 116.57 118.65 1j96 h LYS 39 Ca 0.24 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1j96 h LYS 39 Cb 0.30 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1j96 h LYS 39 CO -0.01 0.45 0.24 -0.07 -0.57 0.00 0.00 179.45 179.50 1j96 h LEU 40 N 0.69 0.98 -0.35 2.94 3.38 -0.83 -1.54 115.31 120.59 1j96 h LEU 40 Ca 0.19 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1j96 h LEU 40 Cb -0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 1j96 h LEU 40 CO -0.04 0.90 0.12 0.00 0.09 0.00 0.00 178.44 179.52 1j96 h ALA 41 N 1.23 0.45 -0.59 1.53 0.00 -0.53 -0.34 119.26 121.01 1j96 h ALA 41 Ca 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1j96 h ALA 41 Cb 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1j96 h ALA 41 CO -0.01 0.07 0.31 0.82 0.00 0.00 0.00 179.25 180.44 1j96 h ILE 42 N 0.41 1.20 -0.86 0.00 2.04 -1.02 -1.24 117.51 118.03 1j96 h ILE 42 Ca 0.11 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.52 1j96 h ILE 42 Cb 0.22 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.70 1j96 h ILE 42 CO -0.01 0.21 0.54 -0.08 0.00 0.00 0.00 178.15 178.82 1j96 h GLU 43 N 0.79 0.97 0.00 2.37 4.57 -1.05 -2.23 114.58 120.01 1j96 h GLU 43 Ca 0.21 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1j96 h GLU 43 Cb 0.06 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 1j96 h GLU 43 CO -0.03 0.64 0.00 0.00 -1.18 0.00 0.00 179.01 178.44 1j96 h ALA 44 N 1.39 1.00 0.00 2.92 0.00 -0.65 -3.47 119.26 120.46 1j96 h ALA 44 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1j96 h ALA 44 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1j96 h ALA 44 CO -0.16 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.50 1j96 n GLY 45 N 0.29 1.23 3.74 0.00 0.00 -0.84 -4.94 105.19 104.68 1j96 n GLY 45 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1j96 n GLY 45 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j96 s PHE 46 N -2.00 3.47 -0.21 1.61 0.08 -0.51 -4.92 117.98 115.49 1j96 s PHE 46 Ca 0.00 1.45 0.02 0.00 0.12 0.00 0.00 56.93 58.53 1j96 s PHE 46 Cb 0.00 -3.39 -0.00 0.00 -0.57 0.00 0.00 43.02 39.06 1j96 s PHE 46 CO 0.00 -1.07 0.36 0.72 -0.10 0.00 0.00 175.22 175.13 1j96 n HIS 47 N 2.60 0.00 -4.74 0.36 8.25 -1.26 -4.34 115.22 116.09 1j96 n HIS 47 Ca 0.04 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.20 1j96 n HIS 47 Cb 0.45 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.39 1j96 n HIS 47 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1j96 s HIS 48 N -0.66 2.28 -0.09 4.41 5.65 -1.26 0.06 115.29 125.68 1j96 s HIS 48 Ca 0.02 -1.04 0.02 0.00 0.25 0.00 0.00 55.06 54.31 1j96 s HIS 48 Cb 0.02 -1.58 0.01 0.00 -1.18 0.00 0.00 32.58 29.86 1j96 s HIS 48 CO 0.06 -0.48 -0.14 0.42 -0.65 0.00 0.00 174.74 173.94 1j96 s ILE 49 N 0.73 1.36 -0.17 0.89 1.01 0.11 -0.29 121.20 124.83 1j96 s ILE 49 Ca -0.11 -0.59 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 1j96 s ILE 49 Cb -0.16 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.06 1j96 s ILE 49 CO 0.02 0.41 -0.09 -0.62 0.00 0.00 0.00 174.94 174.66 1j96 s ASP 50 N 0.79 4.19 0.00 3.58 2.15 0.06 -1.42 116.67 126.01 1j96 s ASP 50 Ca -0.11 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.52 1j96 s ASP 50 Cb -0.16 -1.68 0.00 0.00 -0.30 0.00 0.00 42.92 40.79 1j96 s ASP 50 CO 0.02 0.08 0.00 -0.24 -0.17 0.00 0.00 175.17 174.86 1j96 n SER 51 N 4.09 0.00 -3.57 -0.34 2.88 -0.46 -2.76 113.62 113.46 1j96 n SER 51 Ca -0.18 -0.32 -0.07 0.00 -1.33 0.00 0.00 58.87 56.96 1j96 n SER 51 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 1j96 n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j96 s ALA 52 N -1.83 -1.96 0.18 -1.46 0.00 -1.26 -3.94 121.76 111.49 1j96 s ALA 52 Ca 0.00 1.48 -0.13 0.00 0.00 0.00 0.00 51.96 53.31 1j96 s ALA 52 Cb 0.00 -0.37 0.13 0.00 0.00 0.00 0.00 23.12 22.89 1j96 s ALA 52 CO 0.00 -0.47 1.79 1.25 0.00 0.00 0.00 175.76 178.33 1j96 h HIS 53 N 2.21 0.51 0.00 0.00 -0.00 -1.94 -2.70 115.15 113.24 1j96 h HIS 53 Ca -0.16 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.23 1j96 h HIS 53 Cb 1.19 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 1j96 h HIS 53 CO 0.27 0.26 0.00 1.33 -0.00 0.00 0.00 177.93 179.79 1j96 n VAL 54 N -4.85 1.05 0.74 5.26 0.24 -1.26 -2.42 118.33 117.09 1j96 n VAL 54 Ca 0.04 0.26 0.12 0.00 -2.04 0.00 0.00 64.34 62.73 1j96 n VAL 54 Cb 0.12 -1.04 0.49 0.00 -1.47 0.00 0.00 33.84 31.94 1j96 n VAL 54 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1j96 n TYR 55 N -1.47 0.26 -3.78 6.34 4.01 -1.02 -4.93 117.16 116.57 1j96 n TYR 55 Ca 0.04 0.08 -0.26 0.00 -0.16 0.00 0.00 57.90 57.60 1j96 n TYR 55 Cb 0.15 -0.64 0.04 0.00 -0.31 0.00 0.00 39.34 38.58 1j96 n TYR 55 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1j96 n ASN 56 N -1.72 -3.72 0.00 7.72 5.15 -1.01 -4.86 115.26 116.82 1j96 n ASN 56 Ca 0.05 -0.75 0.00 0.00 -0.60 0.00 0.00 54.58 53.28 1j96 n ASN 56 Cb 0.30 -4.17 0.00 0.00 -0.53 0.00 0.00 39.78 35.38 1j96 n ASN 56 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1j96 n ASN 57 N -2.95 0.00 0.14 1.20 2.04 -1.26 -4.91 115.26 109.52 1j96 n ASN 57 Ca -0.09 -1.00 0.04 0.00 -0.44 0.00 0.00 54.58 53.09 1j96 n ASN 57 Cb 0.59 0.00 0.44 0.00 -2.53 0.00 0.00 39.78 38.27 1j96 n ASN 57 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 1j96 h GLU 58 N 0.00 0.20 -0.38 -3.83 5.08 -1.89 0.36 114.58 114.13 1j96 h GLU 58 Ca 0.00 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1j96 h GLU 58 Cb 0.79 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 1j96 h GLU 58 CO 0.00 0.30 0.22 1.49 -1.00 0.00 0.00 179.01 180.02 1j96 h GLU 59 N 0.20 0.44 -0.32 2.33 4.81 -1.91 -0.01 114.58 120.11 1j96 h GLU 59 Ca 0.04 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 1j96 h GLU 59 Cb 0.28 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1j96 h GLU 59 CO 0.01 0.29 -0.29 1.96 -0.73 0.00 0.00 179.01 180.26 1j96 h GLN 60 N 0.45 0.75 -0.53 1.92 7.50 -1.53 -2.01 115.11 121.67 1j96 h GLN 60 Ca 0.15 -0.39 -0.04 0.00 0.50 0.00 0.00 58.65 58.87 1j96 h GLN 60 Cb 0.01 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.53 1j96 h GLN 60 CO -0.07 1.01 0.17 0.28 -1.50 0.00 0.00 178.83 178.71 1j96 h VAL 61 N 0.52 1.23 -0.69 -0.54 2.07 -0.88 -1.29 116.25 116.67 1j96 h VAL 61 Ca 0.05 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 1j96 h VAL 61 Cb 0.86 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1j96 h VAL 61 CO 0.07 0.29 0.26 1.23 0.02 0.00 0.00 177.57 179.45 1j96 h GLY 62 N 0.74 1.12 1.04 2.17 0.00 -1.02 -1.75 103.07 105.37 1j96 h GLY 62 Ca 0.17 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1j96 h GLY 62 CO -0.01 0.59 0.31 -2.00 0.00 0.00 0.00 176.54 175.43 1j96 h LEU 63 N 0.99 1.06 -0.07 3.11 5.85 -1.15 -0.40 115.31 124.70 1j96 h LEU 63 Ca 0.23 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1j96 h LEU 63 Cb 0.23 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1j96 h LEU 63 CO -0.02 0.94 0.04 0.00 -0.34 0.00 0.00 178.44 179.07 1j96 h ALA 64 N 1.16 0.09 -0.14 1.25 0.00 -0.91 0.22 119.26 120.94 1j96 h ALA 64 Ca 0.26 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1j96 h ALA 64 Cb 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1j96 h ALA 64 CO -0.02 -0.39 0.04 0.82 0.00 0.00 0.00 179.25 179.70 1j96 h ILE 65 N 0.06 0.96 -0.54 0.00 2.04 -1.13 -1.56 117.51 117.33 1j96 h ILE 65 Ca 0.03 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1j96 h ILE 65 Cb 0.04 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1j96 h ILE 65 CO -0.00 0.02 0.19 0.03 0.00 0.00 0.00 178.15 178.38 1j96 h ARG 66 N 0.10 0.80 -0.56 2.37 3.08 -0.98 -1.53 114.38 117.66 1j96 h ARG 66 Ca 0.06 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.88 1j96 h ARG 66 Cb 0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 1j96 h ARG 66 CO -0.07 0.68 -0.02 1.03 -1.07 0.00 0.00 179.97 180.52 1j96 h SER 67 N 0.79 0.96 1.58 7.04 0.87 -0.63 -0.53 113.55 123.63 1j96 h SER 67 Ca 0.18 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 1j96 h SER 67 Cb 0.20 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1j96 h SER 67 CO -0.01 1.03 -0.05 0.11 -0.53 0.00 0.00 176.83 177.38 1j96 h LYS 68 N 0.90 0.00 0.12 2.24 1.79 -0.79 -1.23 116.57 119.60 1j96 h LYS 68 Ca 0.16 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.45 1j96 h LYS 68 Cb 0.55 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.22 1j96 h LYS 68 CO 0.03 0.05 -0.77 0.82 -1.08 0.00 0.00 179.45 178.50 1j96 h ILE 69 N 0.00 1.51 0.00 1.86 2.04 -1.06 -1.15 117.51 120.71 1j96 h ILE 69 Ca -0.00 -2.48 -0.04 0.00 1.00 0.00 0.00 64.86 63.34 1j96 h ILE 69 Cb 0.85 3.13 -0.01 0.00 -0.74 0.00 0.00 36.82 40.06 1j96 h ILE 69 CO 0.01 0.70 -0.19 0.00 0.00 0.00 0.00 178.15 178.66 1j96 h ALA 70 N 0.11 1.16 -0.29 1.87 0.00 -0.98 -1.91 119.26 119.22 1j96 h ALA 70 Ca -0.13 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1j96 h ALA 70 Cb 1.59 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1j96 h ALA 70 CO 0.15 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.24 1j96 n ASP 71 N -3.56 2.36 0.00 0.00 5.68 -0.48 -4.95 116.55 115.61 1j96 n ASP 71 Ca -0.01 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 1j96 n ASP 71 Cb 0.34 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1j96 n ASP 71 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j96 n GLY 72 N 1.26 0.53 0.17 6.12 0.00 -0.72 -4.94 105.19 107.61 1j96 n GLY 72 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.14 1j96 n GLY 72 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1j96 h SER 73 N 0.00 0.26 -5.06 1.61 0.02 -1.44 -3.46 113.55 105.48 1j96 h SER 73 Ca 0.00 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 1j96 h SER 73 Cb 0.00 -0.08 -0.15 0.00 0.14 0.00 0.00 62.40 62.31 1j96 h SER 73 CO 0.00 0.81 -0.13 0.54 -1.14 0.00 0.00 176.83 176.92 1j96 s VAL 74 N -3.74 0.07 0.16 2.27 0.11 -0.94 -5.03 120.40 113.31 1j96 s VAL 74 Ca -0.04 -0.57 0.02 0.00 -2.93 0.00 0.00 61.98 58.46 1j96 s VAL 74 Cb 0.12 -1.05 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 1j96 s VAL 74 CO 0.80 -0.32 0.30 -0.54 -3.33 0.00 0.00 175.10 172.02 1j96 s LYS 75 N -3.07 3.45 0.35 1.54 1.02 -1.26 -4.07 119.74 117.70 1j96 s LYS 75 Ca -0.02 -0.58 0.04 0.00 0.02 0.00 0.00 55.97 55.43 1j96 s LYS 75 Cb 0.01 -2.94 0.68 0.00 -0.52 0.00 0.00 37.83 35.05 1j96 s LYS 75 CO -0.07 0.50 1.97 -0.09 -0.92 0.00 0.00 175.35 176.74 1j96 h ARG 76 N 2.02 0.80 0.00 1.68 9.65 -1.96 -0.59 114.38 125.98 1j96 h ARG 76 Ca -0.49 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.34 1j96 h ARG 76 Cb 1.20 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 1j96 h ARG 76 CO 0.68 0.53 0.00 -0.85 2.80 0.00 0.00 179.97 183.13 1j96 n GLU 77 N -4.47 0.13 -0.53 0.20 0.28 -1.26 -1.89 120.64 113.11 1j96 n GLU 77 Ca 0.10 0.41 0.08 0.00 -0.16 0.00 0.00 57.16 57.59 1j96 n GLU 77 Cb 0.17 -1.78 0.29 0.00 1.43 0.00 0.00 31.44 31.55 1j96 n GLU 77 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1j96 n ASP 78 N -2.03 4.31 -4.23 -1.84 8.00 -0.23 -4.86 116.55 115.65 1j96 n ASP 78 Ca 0.02 -2.76 -0.32 0.00 0.71 0.00 0.00 54.79 52.44 1j96 n ASP 78 Cb 0.18 -0.54 -0.17 0.00 -0.02 0.00 0.00 41.12 40.58 1j96 n ASP 78 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1j96 s ILE 79 N -2.38 2.11 -0.38 0.53 -1.09 -0.79 -4.71 121.20 114.49 1j96 s ILE 79 Ca 0.44 -1.01 -0.03 0.00 -2.23 0.00 0.00 60.65 57.82 1j96 s ILE 79 Cb 0.32 -1.80 0.09 0.00 -1.58 0.00 0.00 42.46 39.49 1j96 s ILE 79 CO 0.14 0.56 0.15 0.12 -1.23 0.00 0.00 174.94 174.68 1j96 s PHE 80 N 0.27 3.48 -0.17 3.97 2.19 0.11 -4.93 117.98 122.91 1j96 s PHE 80 Ca -0.16 -2.20 -0.06 0.00 0.33 0.00 0.00 56.93 54.84 1j96 s PHE 80 Cb -0.17 -2.88 -0.03 0.00 -1.31 0.00 0.00 43.02 38.63 1j96 s PHE 80 CO 0.08 -0.91 0.02 -0.47 1.83 0.00 0.00 175.22 175.77 1j96 s TYR 81 N 1.19 3.15 -0.11 10.12 5.04 -1.26 -0.71 117.35 134.76 1j96 s TYR 81 Ca 0.04 -0.09 -0.00 0.00 -2.44 0.00 0.00 57.07 54.58 1j96 s TYR 81 Cb -0.22 -2.02 -0.02 0.00 0.35 0.00 0.00 41.96 40.05 1j96 s TYR 81 CO -0.03 0.08 -0.09 0.99 -1.34 0.00 0.00 175.55 175.16 1j96 s THR 82 N 0.34 3.43 0.41 4.34 2.01 -0.51 -0.77 115.64 124.90 1j96 s THR 82 Ca -0.00 -0.55 0.06 0.00 0.31 0.00 0.00 61.69 61.51 1j96 s THR 82 Cb -0.13 -2.44 -0.07 0.00 0.01 0.00 0.00 72.50 69.87 1j96 s THR 82 CO 0.01 0.54 0.02 -0.55 -0.69 0.00 0.00 174.62 173.95 1j96 s SER 83 N -0.03 3.70 -0.01 3.53 0.15 -0.52 -1.35 113.70 119.18 1j96 s SER 83 Ca -0.01 -1.42 -0.01 0.00 0.70 0.00 0.00 55.95 55.21 1j96 s SER 83 Cb -0.14 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 1j96 s SER 83 CO 0.03 -0.54 0.02 -0.54 1.20 0.00 0.00 173.24 173.42 1j96 s LYS 84 N -3.76 0.05 -0.34 5.44 1.02 -1.25 -1.84 119.74 119.07 1j96 s LYS 84 Ca 0.31 -0.01 -0.28 0.00 0.02 0.00 0.00 55.97 56.00 1j96 s LYS 84 Cb 0.08 0.02 0.02 0.00 -0.52 0.00 0.00 37.83 37.43 1j96 s LYS 84 CO 0.15 -0.01 1.05 -1.17 -0.92 0.00 0.00 175.35 174.46 1j96 s LEU 85 N -0.10 3.92 0.71 3.17 2.96 0.47 -3.25 118.68 126.57 1j96 s LEU 85 Ca -0.01 0.94 -0.11 0.00 -0.22 0.00 0.00 54.13 54.73 1j96 s LEU 85 Cb -0.01 -3.49 0.01 0.00 0.50 0.00 0.00 46.19 43.20 1j96 s LEU 85 CO -0.00 -0.89 1.07 0.86 -1.32 0.00 0.00 176.35 176.06 1j96 s TRP 86 N 3.66 3.12 -0.73 5.38 -0.11 -1.26 -1.89 118.94 127.11 1j96 s TRP 86 Ca 0.44 1.34 0.17 0.00 1.22 0.00 0.00 56.10 59.28 1j96 s TRP 86 Cb -0.12 -2.92 0.75 0.00 -1.50 0.00 0.00 33.47 29.69 1j96 s TRP 86 CO 0.17 -1.28 1.54 0.43 -4.62 0.00 0.00 176.95 173.19 1j96 n SER 87 N -3.15 0.31 -0.17 5.86 7.64 -1.26 -1.51 113.62 121.35 1j96 n SER 87 Ca 0.07 0.59 0.15 0.00 1.01 0.00 0.00 58.87 60.69 1j96 n SER 87 Cb 0.54 -0.65 0.75 0.00 -1.01 0.00 0.00 64.21 63.84 1j96 n SER 87 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1j96 n ASN 88 N -1.86 0.56 -0.70 6.43 6.94 -1.26 -1.49 115.26 123.88 1j96 n ASN 88 Ca 0.02 -1.06 0.06 0.00 -0.02 0.00 0.00 54.58 53.59 1j96 n ASN 88 Cb 0.17 -0.02 0.14 0.00 -2.36 0.00 0.00 39.78 37.71 1j96 n ASN 88 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1j96 n SER 89 N -0.63 1.55 0.18 0.53 7.64 -0.57 -3.99 113.62 118.33 1j96 n SER 89 Ca 0.20 -3.24 0.04 0.00 1.01 0.00 0.00 58.87 56.88 1j96 n SER 89 Cb 0.22 -0.44 0.31 0.00 -1.01 0.00 0.00 64.21 63.29 1j96 n SER 89 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 1j96 h HIS 90 N 0.77 0.00 -2.91 1.43 3.86 -1.69 -3.29 115.15 113.32 1j96 h HIS 90 Ca -0.05 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.59 1j96 h HIS 90 Cb 1.22 0.00 0.09 0.00 1.06 0.00 0.00 27.41 29.78 1j96 h HIS 90 CO 0.47 0.43 0.61 0.54 0.86 0.00 0.00 177.93 180.84 1j96 n ARG 91 N -3.69 2.13 -0.23 2.45 1.74 -1.26 -4.42 116.66 113.39 1j96 n ARG 91 Ca -0.01 0.76 0.15 0.00 -0.77 0.00 0.00 57.85 57.98 1j96 n ARG 91 Cb 0.51 -2.41 0.45 0.00 -1.02 0.00 0.00 32.46 30.00 1j96 n ARG 91 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1j96 h PRO 92 N 3.83 0.51 0.00 5.56 0.13 -1.86 0.68 132.00 140.85 1j96 h PRO 92 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1j96 h PRO 92 Cb 1.27 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1j96 h PRO 92 CO 0.73 0.34 0.00 0.93 -0.23 0.00 0.00 178.00 179.76 1j96 h GLU 93 N 0.52 0.00 -0.01 0.86 3.07 -1.93 -3.08 114.58 114.01 1j96 h GLU 93 Ca 0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 1j96 h GLU 93 Cb 0.88 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1j96 h GLU 93 CO -0.17 0.00 -0.24 1.28 -1.40 0.00 0.00 179.01 178.48 1j96 n LEU 94 N -2.36 1.85 0.11 1.33 4.77 0.22 -4.63 117.00 118.29 1j96 n LEU 94 Ca 0.02 -0.83 -0.13 0.00 -0.03 0.00 0.00 56.01 55.04 1j96 n LEU 94 Cb 0.22 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.23 1j96 n LEU 94 CO 0.20 0.34 0.56 0.58 -1.33 0.00 0.00 177.39 177.75 1j96 h VAL 95 N 2.23 0.84 -0.46 4.08 2.07 -1.44 -2.56 116.25 120.99 1j96 h VAL 95 Ca 0.00 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1j96 h VAL 95 Cb 0.59 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1j96 h VAL 95 CO 0.00 0.15 0.25 -0.09 0.02 0.00 0.00 177.57 177.90 1j96 h ARG 96 N -0.68 0.65 -1.00 1.57 2.43 -1.82 -1.85 114.38 113.66 1j96 h ARG 96 Ca -0.03 -0.08 0.12 0.00 -0.81 0.00 0.00 59.98 59.18 1j96 h ARG 96 Cb 0.48 -0.13 -0.08 0.00 -0.42 0.00 0.00 29.97 29.82 1j96 h ARG 96 CO 0.05 0.51 0.63 -1.35 -1.51 0.00 0.00 179.97 178.31 1j96 h PRO 97 N 0.61 0.95 -0.59 0.20 0.11 -1.82 0.24 132.00 131.70 1j96 h PRO 97 Ca 0.16 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.11 1j96 h PRO 97 Cb 0.06 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.93 1j96 h PRO 97 CO -0.03 0.63 -0.03 0.00 -0.21 0.00 0.00 178.00 178.37 1j96 h ALA 98 N 1.55 0.80 -0.44 -0.75 0.00 -0.98 -1.35 119.26 118.09 1j96 h ALA 98 Ca 0.50 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1j96 h ALA 98 Cb 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1j96 h ALA 98 CO -0.26 0.67 -0.04 1.25 0.00 0.00 0.00 179.25 180.86 1j96 h LEU 99 N 0.96 0.79 -1.15 0.00 5.85 -0.53 -2.01 115.31 119.21 1j96 h LEU 99 Ca 0.17 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1j96 h LEU 99 Cb 0.59 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1j96 h LEU 99 CO 0.04 0.94 0.28 -0.33 -0.34 0.00 0.00 178.44 179.02 1j96 h GLU 100 N 0.63 0.87 -0.35 1.25 5.08 -0.83 -0.36 114.58 120.88 1j96 h GLU 100 Ca 0.12 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1j96 h GLU 100 Cb 0.55 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1j96 h GLU 100 CO 0.03 0.69 0.06 -0.09 -1.00 0.00 0.00 179.01 178.70 1j96 h ARG 101 N 0.87 0.57 -0.23 2.33 2.43 -1.03 -0.11 114.38 119.21 1j96 h ARG 101 Ca 0.21 -0.15 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1j96 h ARG 101 Cb 0.11 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 1j96 h ARG 101 CO -0.03 0.64 0.12 0.77 -1.51 0.00 0.00 179.97 179.96 1j96 h SER 102 N 0.41 0.18 -0.77 -3.80 0.02 -0.94 -1.70 113.55 106.95 1j96 h SER 102 Ca 0.11 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1j96 h SER 102 Cb 0.34 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 1j96 h SER 102 CO 0.01 0.14 0.48 -0.07 -1.14 0.00 0.00 176.83 176.24 1j96 h LEU 103 N 0.25 0.92 -0.62 5.07 3.38 -0.84 -0.57 115.31 122.89 1j96 h LEU 103 Ca 0.09 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1j96 h LEU 103 Cb 0.02 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1j96 h LEU 103 CO -0.06 0.69 -0.09 0.50 0.09 0.00 0.00 178.44 179.57 1j96 h LYS 104 N 1.07 0.99 -0.64 1.13 3.64 -0.81 0.13 116.57 122.07 1j96 h LYS 104 Ca 0.28 -0.35 -0.08 0.00 -1.27 0.00 0.00 60.65 59.23 1j96 h LYS 104 Cb -0.07 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1j96 h LYS 104 CO -0.06 1.03 0.09 -0.91 -2.27 0.00 0.00 179.45 177.33 1j96 h ASN 105 N 0.88 1.03 0.64 4.20 -0.26 -0.75 -2.98 115.58 118.34 1j96 h ASN 105 Ca 0.14 -0.27 -0.12 0.00 -0.56 0.00 0.00 56.30 55.50 1j96 h ASN 105 Cb 0.64 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.61 1j96 h ASN 105 CO 0.04 1.03 -0.57 -0.07 -1.06 0.00 0.00 177.43 176.81 1j96 h LEU 106 N 0.98 0.00 -0.47 1.61 3.38 -0.91 -3.33 115.31 116.56 1j96 h LEU 106 Ca 0.19 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.78 1j96 h LEU 106 Cb 0.45 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.32 1j96 h LEU 106 CO 0.01 0.57 -0.64 0.00 0.09 0.00 0.00 178.44 178.48 1j96 n GLN 107 N -3.77 -7.02 -4.28 1.13 1.13 0.44 -4.38 117.38 100.63 1j96 n GLN 107 Ca -0.01 0.81 -0.26 0.00 -1.94 0.00 0.00 57.00 55.60 1j96 n GLN 107 Cb 0.59 -5.72 -0.09 0.00 0.11 0.00 0.00 30.24 25.13 1j96 n GLN 107 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1j96 s LEU 108 N -6.90 3.04 0.23 1.08 1.43 -1.13 -5.05 118.68 111.38 1j96 s LEU 108 Ca 0.50 -0.56 0.14 0.00 -1.03 0.00 0.00 54.13 53.18 1j96 s LEU 108 Cb -0.22 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.30 1j96 s LEU 108 CO 0.62 0.09 1.35 0.44 0.23 0.00 0.00 176.35 179.09 1j96 h ASP 109 N 2.76 0.00 -5.03 2.29 3.32 -1.96 -3.44 116.42 114.36 1j96 h ASP 109 Ca -0.46 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.54 1j96 h ASP 109 Cb 1.21 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.63 1j96 h ASP 109 CO 0.56 0.59 0.06 -0.72 -1.72 0.00 0.00 179.24 178.00 1j96 s TYR 110 N -2.92 -0.39 0.04 4.55 1.13 -1.26 -4.77 117.35 113.74 1j96 s TYR 110 Ca 0.03 0.20 -0.00 0.00 -1.41 0.00 0.00 57.07 55.89 1j96 s TYR 110 Cb 0.08 0.39 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 1j96 s TYR 110 CO 0.76 -0.74 0.17 0.14 -2.51 0.00 0.00 175.55 173.37 1j96 s VAL 111 N -3.44 5.17 0.28 -3.49 -7.23 -0.49 -5.01 120.40 106.19 1j96 s VAL 111 Ca 0.00 -0.41 0.11 0.00 -1.81 0.00 0.00 61.98 59.87 1j96 s VAL 111 Cb 0.00 -3.48 -0.00 0.00 0.56 0.00 0.00 36.38 33.46 1j96 s VAL 111 CO -0.10 0.20 1.64 0.44 -0.31 0.00 0.00 175.10 176.98 1j96 h ASP 112 N 3.39 0.00 -3.50 4.85 3.32 -1.27 -1.33 116.42 121.89 1j96 h ASP 112 Ca -0.47 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.42 1j96 h ASP 112 Cb 1.17 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.44 1j96 h ASP 112 CO 0.71 0.58 -0.42 -0.22 -1.72 0.00 0.00 179.24 178.17 1j96 s LEU 113 N -7.65 0.51 -0.11 1.55 2.96 -0.92 -1.40 118.68 113.62 1j96 s LEU 113 Ca -0.01 0.60 0.03 0.00 -0.22 0.00 0.00 54.13 54.52 1j96 s LEU 113 Cb 0.13 0.91 0.01 0.00 0.50 0.00 0.00 46.19 47.74 1j96 s LEU 113 CO 0.75 -0.15 -0.20 -0.47 -1.32 0.00 0.00 176.35 174.97 1j96 s TYR 114 N 0.90 2.32 0.11 5.38 5.04 -0.79 -1.44 117.35 128.87 1j96 s TYR 114 Ca -0.06 -1.02 0.09 0.00 -2.44 0.00 0.00 57.07 53.64 1j96 s TYR 114 Cb -0.07 -1.59 -0.04 0.00 0.35 0.00 0.00 41.96 40.61 1j96 s TYR 114 CO -0.06 -0.45 -0.18 -0.51 -1.34 0.00 0.00 175.55 173.00 1j96 s LEU 115 N 0.61 2.68 -0.25 6.97 1.43 -0.77 -1.57 118.68 127.79 1j96 s LEU 115 Ca -0.13 -0.56 -0.29 0.00 -1.03 0.00 0.00 54.13 52.11 1j96 s LEU 115 Cb -0.17 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 1j96 s LEU 115 CO 0.04 0.18 1.45 -0.63 0.23 0.00 0.00 176.35 177.62 1j96 s ILE 116 N -1.13 3.93 0.13 -0.59 1.01 -0.92 -0.39 121.20 123.23 1j96 s ILE 116 Ca 0.18 1.06 -0.15 0.00 0.00 0.00 0.00 60.65 61.74 1j96 s ILE 116 Cb -0.11 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 1j96 s ILE 116 CO 0.10 -0.37 1.60 -0.74 0.00 0.00 0.00 174.94 175.53 1j96 h HIS 117 N 9.90 0.74 -2.41 3.97 2.76 -1.65 -1.11 115.15 127.35 1j96 h HIS 117 Ca -0.30 -0.11 -0.08 0.00 -2.20 0.00 0.00 60.37 57.68 1j96 h HIS 117 Cb 1.12 -0.20 -0.23 0.00 1.55 0.00 0.00 27.41 29.65 1j96 h HIS 117 CO 0.89 0.73 -0.10 0.12 -1.30 0.00 0.00 177.93 178.28 1j96 s PHE 118 N -5.14 -0.65 -1.53 5.26 2.19 -1.26 -4.32 117.98 112.53 1j96 s PHE 118 Ca -0.13 1.51 0.28 0.00 0.33 0.00 0.00 56.93 58.91 1j96 s PHE 118 Cb 0.10 0.26 1.44 0.00 -1.31 0.00 0.00 43.02 43.50 1j96 s PHE 118 CO 0.78 -0.32 1.95 -0.35 1.83 0.00 0.00 175.22 179.12 1j96 n PRO 119 N 3.14 0.48 -3.35 10.12 -0.04 -1.26 -4.71 135.00 139.38 1j96 n PRO 119 Ca -0.15 0.02 -0.38 0.00 -0.04 0.00 0.00 63.50 62.95 1j96 n PRO 119 Cb 0.56 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 1j96 n PRO 119 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1j96 s VAL 120 N -2.47 5.20 0.08 0.52 1.01 -1.26 -4.83 120.40 118.65 1j96 s VAL 120 Ca 0.29 0.86 -0.10 0.00 0.00 0.00 0.00 61.98 63.03 1j96 s VAL 120 Cb 0.19 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 1j96 s VAL 120 CO 0.40 0.31 0.41 -0.44 0.00 0.00 0.00 175.10 175.77 1j96 s SER 121 N 0.71 6.65 0.21 3.32 0.01 -1.26 -4.73 113.70 118.62 1j96 s SER 121 Ca 0.24 0.81 0.09 0.00 1.31 0.00 0.00 55.95 58.39 1j96 s SER 121 Cb -0.15 -2.18 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 1j96 s SER 121 CO 0.09 0.18 -0.16 0.68 0.41 0.00 0.00 173.24 174.43 1j96 s VAL 122 N -1.38 1.92 0.38 3.43 -7.23 -0.56 -1.61 120.40 115.35 1j96 s VAL 122 Ca 0.33 -2.21 -0.27 0.00 -1.81 0.00 0.00 61.98 58.01 1j96 s VAL 122 Cb -0.14 -2.07 -0.11 0.00 0.56 0.00 0.00 36.38 34.62 1j96 s VAL 122 CO 0.18 -0.51 1.40 1.17 -0.31 0.00 0.00 175.10 177.03 1j96 n LYS 123 N -0.32 2.39 -2.11 4.82 4.81 -0.29 -4.25 118.16 123.21 1j96 n LYS 123 Ca -0.08 0.84 -0.35 0.00 -0.87 0.00 0.00 58.31 57.85 1j96 n LYS 123 Cb 0.60 -2.54 0.02 0.00 0.02 0.00 0.00 35.03 33.13 1j96 n LYS 123 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1j96 s PRO 124 N -2.10 3.15 0.00 1.64 0.04 -1.26 -4.73 135.00 131.75 1j96 s PRO 124 Ca 0.56 1.63 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1j96 s PRO 124 Cb -0.50 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1j96 s PRO 124 CO 0.62 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 177.06 1j96 n GLY 125 N 0.13 -0.14 0.20 0.56 0.00 -1.26 -4.94 105.19 99.75 1j96 n GLY 125 Ca 0.12 -1.75 0.06 0.00 0.00 0.00 0.00 46.02 44.45 1j96 n GLY 125 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1j96 h GLU 126 N 4.35 0.00 -6.61 1.61 4.39 -1.97 -3.43 114.58 112.92 1j96 h GLU 126 Ca 0.00 0.00 -0.52 0.00 0.34 0.00 0.00 59.36 59.18 1j96 h GLU 126 Cb 0.00 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1j96 h GLU 126 CO 0.00 0.33 0.56 -1.21 -1.16 0.00 0.00 179.01 177.53 1j96 s GLU 127 N -3.82 4.48 0.22 2.33 2.02 -1.26 -4.93 118.70 117.73 1j96 s GLU 127 Ca -0.01 1.84 0.20 0.00 0.02 0.00 0.00 54.97 57.02 1j96 s GLU 127 Cb 0.12 -3.27 0.03 0.00 0.10 0.00 0.00 34.13 31.11 1j96 s GLU 127 CO 0.68 -0.14 1.15 -0.39 0.02 0.00 0.00 175.26 176.57 1j96 h VAL 128 N 3.98 0.28 -2.30 2.63 -1.51 -1.94 -3.37 116.25 114.02 1j96 h VAL 128 Ca -0.44 -1.48 -0.59 0.00 -1.23 0.00 0.00 66.70 62.97 1j96 h VAL 128 Cb 1.21 1.89 -0.40 0.00 -2.13 0.00 0.00 31.29 31.87 1j96 h VAL 128 CO 0.77 0.16 -0.90 -0.38 -1.23 0.00 0.00 177.57 175.99 1j96 n ILE 129 N -2.90 -0.01 -1.92 7.19 5.41 -1.26 -4.69 119.36 121.18 1j96 n ILE 129 Ca -0.02 -4.16 -0.41 0.00 1.00 0.00 0.00 62.75 59.16 1j96 n ILE 129 Cb 0.66 -1.92 -0.02 0.00 -0.71 0.00 0.00 39.64 37.65 1j96 n ILE 129 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1j96 s PRO 130 N -1.05 4.21 0.06 0.38 0.04 -1.26 -4.94 135.00 132.44 1j96 s PRO 130 Ca 0.34 2.41 0.06 0.00 0.04 0.00 0.00 61.00 63.85 1j96 s PRO 130 Cb 0.09 -3.07 -0.03 0.00 0.04 0.00 0.00 34.50 31.53 1j96 s PRO 130 CO -0.13 -0.50 -0.17 0.15 0.04 0.00 0.00 177.00 176.38 1j96 s LYS 131 N -0.43 1.07 0.19 4.56 1.02 -1.26 -0.83 119.74 124.05 1j96 s LYS 131 Ca 0.61 -0.94 -0.03 0.00 0.02 0.00 0.00 55.97 55.63 1j96 s LYS 131 Cb -0.44 -1.16 0.04 0.00 -0.52 0.00 0.00 37.83 35.75 1j96 s LYS 131 CO 0.45 0.28 0.25 -0.40 -0.92 0.00 0.00 175.35 175.02 1j96 n ASP 132 N 1.57 0.06 0.14 2.83 3.85 0.85 -4.89 116.55 120.95 1j96 n ASP 132 Ca -0.19 -1.12 0.11 0.00 -0.71 0.00 0.00 54.79 52.89 1j96 n ASP 132 Cb 0.54 -0.19 0.51 0.00 -1.35 0.00 0.00 41.12 40.63 1j96 n ASP 132 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 1j96 n GLU 133 N -1.53 0.17 -0.11 0.11 0.28 -1.26 -1.75 120.64 116.55 1j96 n GLU 133 Ca 0.03 0.50 0.08 0.00 -0.16 0.00 0.00 57.16 57.61 1j96 n GLU 133 Cb 0.11 -1.88 0.14 0.00 1.43 0.00 0.00 31.44 31.23 1j96 n GLU 133 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1j96 n ASN 134 N -2.21 2.79 0.00 -1.84 3.02 -1.26 -4.96 115.26 110.80 1j96 n ASN 134 Ca 0.01 -1.82 0.00 0.00 -0.03 0.00 0.00 54.58 52.74 1j96 n ASN 134 Cb 0.16 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.18 1j96 n ASN 134 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j96 n GLY 135 N 0.95 0.75 3.70 7.41 0.00 -0.72 -5.04 105.19 112.25 1j96 n GLY 135 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1j96 n GLY 135 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j96 s LYS 136 N -0.50 4.48 0.42 1.61 2.20 -1.26 -4.71 119.74 121.98 1j96 s LYS 136 Ca 0.00 1.24 -0.26 0.00 -0.36 0.00 0.00 55.97 56.59 1j96 s LYS 136 Cb 0.00 -3.48 -0.09 0.00 -1.51 0.00 0.00 37.83 32.74 1j96 s LYS 136 CO 0.00 -0.10 1.46 0.42 -0.36 0.00 0.00 175.35 176.76 1j96 s ILE 137 N 1.27 2.04 -0.85 5.43 1.01 -1.26 -0.11 121.20 128.73 1j96 s ILE 137 Ca 0.46 0.04 -0.19 0.00 0.00 0.00 0.00 60.65 60.96 1j96 s ILE 137 Cb -0.19 -3.02 0.12 0.00 0.01 0.00 0.00 42.46 39.38 1j96 s ILE 137 CO 0.22 0.01 1.04 -0.76 0.00 0.00 0.00 174.94 175.45 1j96 s LEU 138 N -2.50 5.07 0.66 2.97 1.43 -0.01 -4.83 118.68 121.48 1j96 s LEU 138 Ca 0.58 -1.85 -0.13 0.00 -1.03 0.00 0.00 54.13 51.70 1j96 s LEU 138 Cb -0.45 -2.38 -0.00 0.00 0.03 0.00 0.00 46.19 43.38 1j96 s LEU 138 CO 0.59 -1.10 1.07 -0.36 0.23 0.00 0.00 176.35 176.78 1j96 s PHE 139 N 2.77 2.96 0.04 0.29 0.40 -1.26 -1.13 117.98 122.04 1j96 s PHE 139 Ca 0.28 1.48 0.05 0.00 -0.60 0.00 0.00 56.93 58.15 1j96 s PHE 139 Cb -0.09 -2.97 -0.02 0.00 0.51 0.00 0.00 43.02 40.45 1j96 s PHE 139 CO -0.05 -1.29 -0.15 0.34 0.70 0.00 0.00 175.22 174.77 1j96 s ASP 140 N -3.27 1.74 -0.47 1.36 2.15 -0.64 -4.50 116.67 113.04 1j96 s ASP 140 Ca 0.61 -0.46 -0.17 0.00 0.43 0.00 0.00 52.55 52.96 1j96 s ASP 140 Cb -0.16 -0.12 0.06 0.00 -0.30 0.00 0.00 42.92 42.41 1j96 s ASP 140 CO 0.47 0.05 0.47 -0.89 -0.17 0.00 0.00 175.17 175.10 1j96 s THR 141 N -0.84 5.10 -0.02 1.71 2.01 -1.26 -4.38 115.64 117.95 1j96 s THR 141 Ca 0.02 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.29 1j96 s THR 141 Cb -0.08 -4.16 -0.00 0.00 0.01 0.00 0.00 72.50 68.27 1j96 s THR 141 CO 0.01 -0.62 -0.12 -0.69 -0.69 0.00 0.00 174.62 172.52 1j96 s VAL 142 N 2.03 1.00 -0.43 3.82 1.01 -1.26 -5.09 120.40 121.48 1j96 s VAL 142 Ca 0.09 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.28 1j96 s VAL 142 Cb -0.21 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.33 1j96 s VAL 142 CO 0.09 0.30 1.09 -0.62 0.00 0.00 0.00 175.10 175.96 1j96 s ASP 143 N -0.00 6.70 0.57 3.32 -1.08 -1.26 -4.90 116.67 120.01 1j96 s ASP 143 Ca -0.01 0.58 0.37 0.00 -0.52 0.00 0.00 52.55 52.98 1j96 s ASP 143 Cb -0.08 -2.53 1.77 0.00 -1.46 0.00 0.00 42.92 40.62 1j96 s ASP 143 CO 0.01 -1.11 2.11 -0.07 0.52 0.00 0.00 175.17 176.62 1j96 h LEU 144 N 10.80 0.00 -0.83 -1.34 3.38 -1.95 -0.44 115.31 124.92 1j96 h LEU 144 Ca -0.22 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.64 1j96 h LEU 144 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1j96 h LEU 144 CO 1.08 0.00 -0.22 0.00 0.09 0.00 0.00 178.44 179.39 1j96 h ALA 146 N 1.20 0.68 -0.60 0.00 0.00 -1.50 -1.80 119.26 117.24 1j96 h ALA 146 Ca 0.08 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.69 1j96 h ALA 146 Cb 0.68 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1j96 h ALA 146 CO 0.05 0.57 0.35 1.15 0.00 0.00 0.00 179.25 181.37 1j96 h THR 147 N 0.79 1.03 -0.91 0.00 2.02 -1.18 -2.38 112.91 112.29 1j96 h THR 147 Ca 0.13 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1j96 h THR 147 Cb 0.65 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1j96 h THR 147 CO 0.05 0.12 0.54 -0.25 0.37 0.00 0.00 175.52 176.35 1j96 h TRP 148 N 0.68 1.20 -0.87 3.16 2.91 -0.60 -1.29 115.95 121.14 1j96 h TRP 148 Ca 0.25 -0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.26 1j96 h TRP 148 Cb 0.08 -0.39 -0.04 0.00 -0.51 0.00 0.00 29.16 28.29 1j96 h TRP 148 CO -0.07 0.80 0.53 1.49 -1.03 0.00 0.00 178.44 180.16 1j96 h GLU 149 N 1.25 1.17 -0.36 2.65 4.81 -0.86 0.75 114.58 124.00 1j96 h GLU 149 Ca 0.33 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.37 1j96 h GLU 149 Cb -0.05 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.07 1j96 h GLU 149 CO -0.06 0.82 -0.14 0.00 -0.73 0.00 0.00 179.01 178.89 1j96 h ALA 150 N 1.39 1.08 -0.56 2.92 0.00 -0.91 -1.74 119.26 121.43 1j96 h ALA 150 Ca 0.31 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1j96 h ALA 150 Cb -0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1j96 h ALA 150 CO -0.06 0.57 0.24 0.52 0.00 0.00 0.00 179.25 180.51 1j96 h MET 151 N 0.59 0.82 -0.96 0.00 2.86 -0.12 -2.22 114.93 115.90 1j96 h MET 151 Ca 0.10 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1j96 h MET 151 Cb 0.58 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.05 1j96 h MET 151 CO 0.04 0.70 0.63 0.93 1.06 0.00 0.00 176.91 180.28 1j96 h GLU 152 N 0.76 1.24 -0.37 1.72 5.08 -0.54 -1.61 114.58 120.86 1j96 h GLU 152 Ca 0.19 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1j96 h GLU 152 Cb 0.18 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1j96 h GLU 152 CO -0.02 0.82 -0.00 0.87 -1.00 0.00 0.00 179.01 179.68 1j96 h LYS 153 N 1.28 0.58 -0.53 2.33 1.57 -1.02 -0.57 116.57 120.20 1j96 h LYS 153 Ca 0.36 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.93 1j96 h LYS 153 Cb -0.12 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1j96 h LYS 153 CO -0.08 0.61 0.03 0.00 -0.57 0.00 0.00 179.45 179.43 1j96 h LYS 155 N 0.82 0.62 0.00 0.00 3.64 -0.92 -2.12 116.57 118.62 1j96 h LYS 155 Ca 0.16 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1j96 h LYS 155 Cb 0.45 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1j96 h LYS 155 CO 0.02 0.77 -0.21 -0.44 -2.27 0.00 0.00 179.45 177.31 1j96 h ASP 156 N 0.41 0.00 1.11 4.20 3.32 -0.85 -1.62 116.42 123.00 1j96 h ASP 156 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1j96 h ASP 156 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1j96 h ASP 156 CO 0.02 0.21 0.00 0.00 -1.72 0.00 0.00 179.24 177.76 1j96 n ALA 157 N -2.47 2.24 -0.53 3.45 0.00 -0.22 -4.93 120.51 118.06 1j96 n ALA 157 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1j96 n ALA 157 Cb 0.28 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1j96 n ALA 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j96 n GLY 158 N 1.27 0.76 0.15 0.00 0.00 -0.61 -4.93 105.19 101.84 1j96 n GLY 158 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1j96 n GLY 158 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1j96 h LEU 159 N 0.00 0.00 -7.89 0.99 3.38 -1.62 -3.42 115.31 106.75 1j96 h LEU 159 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 1j96 h LEU 159 Cb 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 40.66 40.41 1j96 h LEU 159 CO 0.00 0.54 -0.81 0.00 0.09 0.00 0.00 178.44 178.26 1j96 s ALA 160 N -3.57 1.23 0.15 1.53 0.00 -1.19 -1.40 121.76 118.51 1j96 s ALA 160 Ca -0.01 -0.42 -0.10 0.00 0.00 0.00 0.00 51.96 51.44 1j96 s ALA 160 Cb 0.12 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1j96 s ALA 160 CO 0.74 -0.03 1.47 0.87 0.00 0.00 0.00 175.76 178.81 1j96 h LYS 161 N 7.28 0.88 -4.67 0.00 1.79 -1.28 -3.36 116.57 117.21 1j96 h LYS 161 Ca -0.31 -0.49 -0.26 0.00 -2.18 0.00 0.00 60.65 57.41 1j96 h LYS 161 Cb 1.17 0.03 -0.18 0.00 -1.58 0.00 0.00 32.23 31.67 1j96 h LYS 161 CO 0.46 1.13 -0.72 -1.12 -1.08 0.00 0.00 179.45 178.12 1j96 s SER 162 N -6.87 1.07 0.04 0.86 0.01 -0.49 -5.00 113.70 103.31 1j96 s SER 162 Ca -0.10 -0.79 0.06 0.00 1.31 0.00 0.00 55.95 56.42 1j96 s SER 162 Cb 0.11 0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.38 1j96 s SER 162 CO 0.88 -0.33 -0.16 0.27 0.41 0.00 0.00 173.24 174.31 1j96 s ILE 163 N -2.55 1.27 0.00 1.44 -4.36 -1.26 -1.89 121.20 113.85 1j96 s ILE 163 Ca 0.02 -1.05 0.00 0.00 -0.26 0.00 0.00 60.65 59.36 1j96 s ILE 163 Cb -0.02 -1.13 0.00 0.00 1.25 0.00 0.00 42.46 42.56 1j96 s ILE 163 CO -0.02 0.07 0.00 0.61 0.24 0.00 0.00 174.94 175.84 1j96 n GLY 164 N 1.90 2.74 3.39 6.27 0.00 -0.61 -1.11 105.19 117.78 1j96 n GLY 164 Ca -0.18 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.51 1j96 n GLY 164 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j96 s VAL 165 N -2.68 1.04 -0.05 1.61 -7.23 -0.78 -2.17 120.40 110.14 1j96 s VAL 165 Ca 0.00 -2.02 -0.05 0.00 -1.81 0.00 0.00 61.98 58.10 1j96 s VAL 165 Cb 0.00 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.34 1j96 s VAL 165 CO 0.00 -0.11 0.13 -0.55 -0.31 0.00 0.00 175.10 174.26 1j96 s SER 166 N -3.40 -0.12 -1.46 4.85 0.15 -0.42 -1.25 113.70 112.05 1j96 s SER 166 Ca 0.34 0.22 -0.01 0.00 0.70 0.00 0.00 55.95 57.20 1j96 s SER 166 Cb 0.07 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1j96 s SER 166 CO 0.13 -0.08 0.19 0.59 1.20 0.00 0.00 173.24 175.27 1j96 n ASN 167 N 2.85 -5.32 -4.86 5.45 3.02 -0.31 -4.04 115.26 112.05 1j96 n ASN 167 Ca -0.13 -0.10 -0.36 0.00 -0.03 0.00 0.00 54.58 53.95 1j96 n ASN 167 Cb 0.59 -4.31 -0.06 0.00 -0.61 0.00 0.00 39.78 35.39 1j96 n ASN 167 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1j96 s PHE 168 N -2.97 3.64 0.49 3.10 0.40 -1.26 -4.54 117.98 116.85 1j96 s PHE 168 Ca 0.10 0.84 0.05 0.00 -0.60 0.00 0.00 56.93 57.31 1j96 s PHE 168 Cb -0.04 -2.19 0.09 0.00 0.51 0.00 0.00 43.02 41.39 1j96 s PHE 168 CO 0.12 0.59 0.68 0.27 0.70 0.00 0.00 175.22 177.58 1j96 n ASN 169 N 1.37 1.42 -0.08 1.36 0.23 -1.26 -4.90 115.26 113.40 1j96 n ASN 169 Ca -0.11 -2.08 -0.07 0.00 -0.53 0.00 0.00 54.58 51.78 1j96 n ASN 169 Cb 0.53 -0.39 -0.00 0.00 -2.08 0.00 0.00 39.78 37.83 1j96 n ASN 169 CO 0.00 0.00 0.00 -0.74 -0.93 0.00 0.00 177.26 175.59 1j96 h HIS 170 N -0.16 0.08 -0.39 -2.53 -0.00 -1.30 -1.34 115.15 109.51 1j96 h HIS 170 Ca -0.23 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.17 1j96 h HIS 170 Cb 0.96 0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.36 1j96 h HIS 170 CO 0.00 0.01 0.24 -0.09 -0.00 0.00 0.00 177.93 178.10 1j96 h ARG 171 N 0.16 0.48 -0.58 5.26 2.43 -1.96 -1.14 114.38 119.02 1j96 h ARG 171 Ca 0.14 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1j96 h ARG 171 Cb 0.15 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1j96 h ARG 171 CO -0.19 0.32 0.03 -0.07 -1.51 0.00 0.00 179.97 178.55 1j96 h LEU 172 N 0.49 0.95 -0.27 3.80 3.38 -1.89 -0.74 115.31 121.02 1j96 h LEU 172 Ca 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1j96 h LEU 172 Cb -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1j96 h LEU 172 CO -0.06 0.99 0.14 -0.07 0.09 0.00 0.00 178.44 179.53 1j96 h LEU 173 N 0.91 0.35 -1.23 1.67 3.38 -1.02 -2.60 115.31 116.78 1j96 h LEU 173 Ca 0.17 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1j96 h LEU 173 Cb 0.49 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1j96 h LEU 173 CO 0.02 0.35 0.53 -0.33 0.09 0.00 0.00 178.44 179.10 1j96 h GLU 174 N 0.32 1.03 -0.73 1.13 4.39 -0.94 0.29 114.58 120.07 1j96 h GLU 174 Ca 0.10 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1j96 h GLU 174 Cb 0.09 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.47 1j96 h GLU 174 CO -0.01 0.68 0.47 1.98 -1.16 0.00 0.00 179.01 180.97 1j96 h MET 175 N 1.06 0.96 -0.09 2.33 4.05 -0.91 0.77 114.93 123.10 1j96 h MET 175 Ca 0.29 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.62 1j96 h MET 175 Cb -0.10 -0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 30.49 1j96 h MET 175 CO -0.07 0.65 -0.05 0.82 0.23 0.00 0.00 176.91 178.49 1j96 h ILE 176 N 0.99 1.34 -0.20 1.77 1.08 -1.04 -2.82 117.51 118.62 1j96 h ILE 176 Ca 0.27 -1.11 -0.02 0.00 -0.39 0.00 0.00 64.86 63.61 1j96 h ILE 176 Cb -0.10 1.89 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 1j96 h ILE 176 CO -0.06 0.31 0.05 -0.07 -0.69 0.00 0.00 178.15 177.69 1j96 h LEU 177 N -0.19 0.24 -1.54 1.44 3.38 -0.67 -2.21 115.31 115.76 1j96 h LEU 177 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1j96 h LEU 177 Cb 0.52 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1j96 h LEU 177 CO 0.02 0.26 0.00 0.59 0.09 0.00 0.00 178.44 179.39 1j96 n ASN 178 N -4.42 2.29 -4.69 -0.43 3.02 0.24 -4.94 115.26 106.33 1j96 n ASN 178 Ca -0.00 -1.84 -0.42 0.00 -0.03 0.00 0.00 54.58 52.29 1j96 n ASN 178 Cb 0.14 -0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 1j96 n ASN 178 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1j96 s LYS 179 N -1.64 4.15 0.14 3.52 2.20 -0.83 -4.91 119.74 122.36 1j96 s LYS 179 Ca 0.34 2.52 -0.34 0.00 -0.36 0.00 0.00 55.97 58.13 1j96 s LYS 179 Cb 0.19 -3.62 -0.13 0.00 -1.51 0.00 0.00 37.83 32.75 1j96 s LYS 179 CO 0.27 -0.82 1.62 -2.30 -0.36 0.00 0.00 175.35 173.76 1j96 n PRO 180 N 5.73 2.19 -1.00 4.03 -0.02 -1.26 -1.59 135.00 143.08 1j96 n PRO 180 Ca 0.17 0.79 -0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1j96 n PRO 180 Cb 0.39 -2.58 -0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1j96 n PRO 180 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1j96 n GLY 181 N 3.56 0.49 3.58 -1.23 0.00 -1.26 -4.98 105.19 105.34 1j96 n GLY 181 Ca 0.17 -0.07 -0.50 0.00 0.00 0.00 0.00 46.02 45.62 1j96 n GLY 181 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j96 n LEU 182 N -0.00 1.50 -0.13 0.99 7.94 -0.62 -4.91 117.00 121.77 1j96 n LEU 182 Ca -0.00 1.13 -0.23 0.00 -1.11 0.00 0.00 56.01 55.80 1j96 n LEU 182 Cb 0.01 -1.19 -0.10 0.00 0.53 0.00 0.00 43.42 42.66 1j96 n LEU 182 CO 0.00 -1.24 -1.34 1.17 -1.11 0.00 0.00 177.39 174.87 1j96 n LYS 183 N 2.03 0.57 -4.32 1.96 4.81 -1.26 -4.98 118.16 116.97 1j96 n LYS 183 Ca 0.16 0.20 -0.24 0.00 -0.87 0.00 0.00 58.31 57.56 1j96 n LYS 183 Cb 0.22 -1.44 -0.17 0.00 0.02 0.00 0.00 35.03 33.66 1j96 n LYS 183 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1j96 s TYR 184 N -2.48 1.34 0.69 5.64 2.02 -1.26 -5.14 117.35 118.17 1j96 s TYR 184 Ca -0.34 -0.54 -0.14 0.00 -0.37 0.00 0.00 57.07 55.68 1j96 s TYR 184 Cb 0.11 -1.05 0.01 0.00 -0.40 0.00 0.00 41.96 40.64 1j96 s TYR 184 CO 0.50 -0.33 1.10 0.15 -1.57 0.00 0.00 175.55 175.40 1j96 s LYS 185 N 1.02 2.68 0.33 -0.62 1.02 -1.26 -4.98 119.74 117.93 1j96 s LYS 185 Ca -0.08 1.31 -0.29 0.00 0.02 0.00 0.00 55.97 56.93 1j96 s LYS 185 Cb -0.15 -1.94 -0.11 0.00 -0.52 0.00 0.00 37.83 35.12 1j96 s LYS 185 CO -0.00 -1.33 1.42 -2.14 -0.92 0.00 0.00 175.35 172.38 1j96 s PRO 186 N -4.33 4.23 0.34 -1.68 0.02 -1.26 -4.87 135.00 127.43 1j96 s PRO 186 Ca 0.65 2.40 0.18 0.00 0.02 0.00 0.00 61.00 64.25 1j96 s PRO 186 Cb -0.19 -3.03 0.27 0.00 0.02 0.00 0.00 34.50 31.56 1j96 s PRO 186 CO 0.45 -0.40 1.54 -0.39 -0.33 0.00 0.00 177.00 177.88 1j96 h VAL 187 N 3.13 0.67 -3.36 3.83 -1.51 -1.48 -3.45 116.25 114.08 1j96 h VAL 187 Ca -0.49 -1.82 -0.03 0.00 -1.23 0.00 0.00 66.70 63.13 1j96 h VAL 187 Cb 1.23 2.23 -0.11 0.00 -2.13 0.00 0.00 31.29 32.51 1j96 h VAL 187 CO 0.68 0.36 -0.02 0.00 -1.23 0.00 0.00 177.57 177.37 1j96 s ASN 189 N -2.86 3.67 -0.40 0.00 2.47 -0.14 -1.86 114.94 115.82 1j96 s ASN 189 Ca 0.08 -1.17 -0.23 0.00 0.42 0.00 0.00 52.86 51.96 1j96 s ASN 189 Cb 0.00 -1.02 0.01 0.00 -1.45 0.00 0.00 41.25 38.79 1j96 s ASN 189 CO -0.05 -0.28 0.76 -1.58 -3.72 0.00 0.00 177.10 172.23 1j96 s GLN 190 N 1.51 3.60 0.11 0.43 0.74 -0.38 -1.98 119.66 123.69 1j96 s GLN 190 Ca -0.03 0.10 -0.00 0.00 0.05 0.00 0.00 55.36 55.48 1j96 s GLN 190 Cb -0.18 -3.86 -0.04 0.00 1.10 0.00 0.00 33.01 30.03 1j96 s GLN 190 CO -0.08 -0.93 0.01 0.14 -0.55 0.00 0.00 175.29 173.87 1j96 s VAL 191 N 3.10 0.27 0.27 1.34 -7.23 -0.21 -1.16 120.40 116.78 1j96 s VAL 191 Ca 0.29 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 58.27 1j96 s VAL 191 Cb -0.13 -1.84 -0.11 0.00 0.56 0.00 0.00 36.38 34.86 1j96 s VAL 191 CO 0.19 -0.68 1.58 -0.70 -0.31 0.00 0.00 175.10 175.17 1j96 s GLU 192 N -3.97 4.16 -0.28 4.82 2.12 -1.26 -1.15 118.70 123.13 1j96 s GLU 192 Ca 0.17 2.51 -0.15 0.00 0.36 0.00 0.00 54.97 57.86 1j96 s GLU 192 Cb 0.07 -3.05 0.09 0.00 0.26 0.00 0.00 34.13 31.50 1j96 s GLU 192 CO -0.03 -0.60 0.72 0.00 -0.54 0.00 0.00 175.26 174.81 1j96 s HIS 194 N 1.75 -0.02 0.64 0.00 -3.43 -0.99 -3.87 115.29 109.37 1j96 s HIS 194 Ca -0.09 -0.45 0.39 0.00 -0.80 0.00 0.00 55.06 54.11 1j96 s HIS 194 Cb -0.06 0.72 2.16 0.00 -1.43 0.00 0.00 32.58 33.98 1j96 s HIS 194 CO -0.19 -1.13 2.29 -1.35 -2.00 0.00 0.00 174.74 172.36 1j96 h PRO 195 N 2.00 0.00 -0.00 -0.38 0.11 -1.91 -0.56 132.00 131.26 1j96 h PRO 195 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1j96 h PRO 195 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1j96 h PRO 195 CO 0.32 0.00 -0.36 0.66 -0.21 0.00 0.00 178.00 178.41 1j96 n TYR 196 N -3.32 0.00 -2.96 0.65 4.01 -1.26 -2.25 117.16 112.03 1j96 n TYR 196 Ca -0.03 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.58 1j96 n TYR 196 Cb 0.12 -0.29 -0.01 0.00 -0.31 0.00 0.00 39.34 38.85 1j96 n TYR 196 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1j96 n PHE 197 N -1.41 -2.42 1.79 -0.72 7.35 -0.26 -1.63 117.46 120.17 1j96 n PHE 197 Ca 0.07 -2.31 0.15 0.00 -0.76 0.00 0.00 57.45 54.60 1j96 n PHE 197 Cb 0.33 0.90 0.82 0.00 0.35 0.00 0.00 39.48 41.88 1j96 n PHE 197 CO 0.00 0.00 0.00 0.27 -0.76 0.00 0.00 176.76 176.27 1j96 n ASN 198 N 2.16 0.33 -2.47 -2.13 0.23 -0.97 -2.35 115.26 110.06 1j96 n ASN 198 Ca 0.18 -0.97 -0.16 0.00 -0.53 0.00 0.00 54.58 53.09 1j96 n ASN 198 Cb 0.56 -0.03 -0.01 0.00 -2.08 0.00 0.00 39.78 38.22 1j96 n ASN 198 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j96 n GLN 199 N -0.80 -2.13 -0.19 -3.83 1.13 -1.26 -4.84 117.38 105.45 1j96 n GLN 199 Ca 0.21 0.78 0.00 0.00 -1.94 0.00 0.00 57.00 56.05 1j96 n GLN 199 Cb 0.18 -5.42 0.09 0.00 0.11 0.00 0.00 30.24 25.21 1j96 n GLN 199 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1j96 h ARG 200 N -0.07 0.12 -0.19 -1.09 9.65 -1.98 0.14 114.38 120.95 1j96 h ARG 200 Ca -0.39 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.47 1j96 h ARG 200 Cb 1.29 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.83 1j96 h ARG 200 CO 0.46 0.08 0.07 0.87 2.80 0.00 0.00 179.97 184.24 1j96 h LYS 201 N 0.12 0.29 -0.48 0.20 1.57 -1.99 -0.72 116.57 115.56 1j96 h LYS 201 Ca 0.31 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.94 1j96 h LYS 201 Cb 0.49 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1j96 h LYS 201 CO -0.50 0.38 -0.07 1.25 -0.57 0.00 0.00 179.45 179.94 1j96 h LEU 202 N 0.14 0.83 -0.32 2.94 5.85 -1.78 -1.47 115.31 121.51 1j96 h LEU 202 Ca 0.06 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1j96 h LEU 202 Cb 0.20 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 1j96 h LEU 202 CO -0.00 0.94 0.19 0.25 -0.34 0.00 0.00 178.44 179.47 1j96 h LEU 203 N 0.77 0.38 -0.82 2.25 5.85 -0.60 -0.58 115.31 122.57 1j96 h LEU 203 Ca 0.14 -0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1j96 h LEU 203 Cb 0.56 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1j96 h LEU 203 CO 0.03 0.33 0.18 0.44 -0.34 0.00 0.00 178.44 179.08 1j96 h ASP 204 N 0.40 1.00 -0.32 1.25 3.32 -0.95 0.11 116.42 121.24 1j96 h ASP 204 Ca 0.11 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1j96 h ASP 204 Cb 0.02 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1j96 h ASP 204 CO -0.02 0.95 0.18 0.15 -1.72 0.00 0.00 179.24 178.78 1j96 h PHE 205 N 1.01 0.43 -0.35 4.55 3.57 -0.96 -1.07 116.94 124.12 1j96 h PHE 205 Ca 0.22 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1j96 h PHE 205 Cb 0.34 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1j96 h PHE 205 CO 0.02 0.33 0.17 0.00 -2.23 0.00 0.00 178.31 176.61 1j96 h LYS 207 N 0.36 0.86 0.00 0.00 1.57 -0.54 -0.43 116.57 118.39 1j96 h LYS 207 Ca 0.15 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1j96 h LYS 207 Cb 0.06 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 1j96 h LYS 207 CO -0.10 0.57 -0.00 0.66 -0.57 0.00 0.00 179.45 180.00 1j96 h SER 208 N 0.88 0.00 -0.32 0.86 4.64 -0.61 -1.85 113.55 117.16 1j96 h SER 208 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1j96 h SER 208 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1j96 h SER 208 CO -0.22 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.04 1j96 n LYS 209 N -3.13 2.88 -3.74 4.77 4.76 -0.72 -4.99 118.16 118.01 1j96 n LYS 209 Ca -0.02 -2.04 -0.26 0.00 -2.87 0.00 0.00 58.31 53.12 1j96 n LYS 209 Cb 0.13 -1.27 0.05 0.00 -1.84 0.00 0.00 35.03 32.11 1j96 n LYS 209 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1j96 n ASP 210 N 0.39 -5.33 -4.59 4.39 2.03 -0.70 -5.00 116.55 107.75 1j96 n ASP 210 Ca 0.11 -0.66 -0.35 0.00 0.52 0.00 0.00 54.79 54.41 1j96 n ASP 210 Cb 0.43 -4.49 -0.10 0.00 -0.72 0.00 0.00 41.12 36.23 1j96 n ASP 210 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1j96 s ILE 211 N -3.33 4.61 0.05 5.18 1.01 -0.25 -4.34 121.20 124.12 1j96 s ILE 211 Ca 0.58 -0.09 -0.28 0.00 0.00 0.00 0.00 60.65 60.85 1j96 s ILE 211 Cb -0.27 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.07 1j96 s ILE 211 CO 0.78 0.44 0.89 -0.69 0.00 0.00 0.00 174.94 176.36 1j96 s VAL 212 N 0.59 4.70 -0.18 2.92 1.01 -0.51 -3.93 120.40 125.00 1j96 s VAL 212 Ca 0.03 1.89 -0.21 0.00 0.00 0.00 0.00 61.98 63.68 1j96 s VAL 212 Cb -0.13 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1j96 s VAL 212 CO 0.01 0.29 0.65 -0.22 0.00 0.00 0.00 175.10 175.83 1j96 s LEU 213 N 0.30 4.16 -0.28 3.92 0.20 -1.26 -0.97 118.68 124.75 1j96 s LEU 213 Ca 0.45 0.89 -0.07 0.00 0.69 0.00 0.00 54.13 56.09 1j96 s LEU 213 Cb -0.21 -2.93 -0.01 0.00 -0.43 0.00 0.00 46.19 42.60 1j96 s LEU 213 CO 0.26 -0.27 0.08 -0.69 -0.29 0.00 0.00 176.35 175.45 1j96 s VAL 214 N 1.82 4.20 -0.18 1.68 1.01 -0.84 -1.87 120.40 126.22 1j96 s VAL 214 Ca 0.30 -0.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.64 1j96 s VAL 214 Cb -0.16 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1j96 s VAL 214 CO 0.11 0.20 0.70 0.00 0.00 0.00 0.00 175.10 176.11 1j96 s ALA 215 N 1.57 3.53 0.28 5.51 0.00 0.36 -1.05 121.76 131.95 1j96 s ALA 215 Ca 0.05 -0.16 0.08 0.00 0.00 0.00 0.00 51.96 51.92 1j96 s ALA 215 Cb -0.16 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1j96 s ALA 215 CO 0.03 -0.57 0.19 1.52 0.00 0.00 0.00 175.76 176.93 1j96 s TYR 216 N 1.94 2.99 -1.53 0.00 -0.85 -0.30 -1.64 117.35 117.96 1j96 s TYR 216 Ca 0.32 -0.18 -0.14 0.00 -0.52 0.00 0.00 57.07 56.55 1j96 s TYR 216 Cb -0.16 -1.47 0.09 0.00 0.38 0.00 0.00 41.96 40.80 1j96 s TYR 216 CO 0.11 0.45 0.94 0.43 -1.52 0.00 0.00 175.55 175.97 1j96 n SER 217 N -1.18 -4.77 0.12 -0.18 7.64 -1.26 -1.67 113.62 112.32 1j96 n SER 217 Ca -0.06 -0.75 0.12 0.00 1.01 0.00 0.00 58.87 59.19 1j96 n SER 217 Cb 0.59 -3.82 0.47 0.00 -1.01 0.00 0.00 64.21 60.44 1j96 n SER 217 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j96 n ALA 218 N -4.58 1.85 -0.38 -0.43 0.00 -1.25 -1.64 120.51 114.07 1j96 n ALA 218 Ca 0.04 0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.61 1j96 n ALA 218 Cb 0.53 -1.41 0.23 0.00 0.00 0.00 0.00 19.45 18.79 1j96 n ALA 218 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1j96 n LEU 219 N -2.24 3.51 0.00 0.00 4.77 -1.26 -4.74 117.00 117.04 1j96 n LEU 219 Ca 0.03 -2.19 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 1j96 n LEU 219 Cb 0.29 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 1j96 n LEU 219 CO 0.23 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1j96 n GLY 220 N 0.69 0.86 0.00 -0.72 0.00 -0.65 -4.47 105.19 100.89 1j96 n GLY 220 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1j96 n GLY 220 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j96 n SER 221 N 0.00 0.00 0.20 1.61 3.41 -1.24 -4.56 113.62 113.05 1j96 n SER 221 Ca 0.00 0.00 0.15 0.00 -0.26 0.00 0.00 58.87 58.76 1j96 n SER 221 Cb 0.00 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 64.57 1j96 n SER 221 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 175.04 176.00 1j96 h HIS 222 N 0.00 0.00 -4.11 7.33 2.07 -1.96 -3.47 115.15 115.02 1j96 h HIS 222 Ca 0.00 0.00 -0.37 0.00 -2.85 0.00 0.00 60.37 57.15 1j96 h HIS 222 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1j96 h HIS 222 CO 0.00 0.00 -0.52 0.54 -3.07 0.00 0.00 177.93 174.88 1j96 n ARG 223 N -2.63 -3.23 -2.62 5.12 1.74 -1.26 -4.93 116.66 108.84 1j96 n ARG 223 Ca 0.01 0.80 -0.42 0.00 -0.77 0.00 0.00 57.85 57.47 1j96 n ARG 223 Cb 0.24 -5.53 -0.03 0.00 -1.02 0.00 0.00 32.46 26.12 1j96 n ARG 223 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1j96 s GLU 224 N -5.44 4.51 0.96 5.56 2.12 -1.26 -4.78 118.70 120.38 1j96 s GLU 224 Ca 0.17 1.52 -0.12 0.00 0.36 0.00 0.00 54.97 56.90 1j96 s GLU 224 Cb -0.08 -3.43 0.17 0.00 0.26 0.00 0.00 34.13 31.04 1j96 s GLU 224 CO 0.22 -0.13 1.10 -1.21 -0.54 0.00 0.00 175.26 174.70 1j96 s GLU 225 N 1.10 0.71 0.00 4.30 2.02 -1.26 -1.49 118.70 124.08 1j96 s GLU 225 Ca 0.54 0.48 0.00 0.00 0.02 0.00 0.00 54.97 56.01 1j96 s GLU 225 Cb -0.23 -1.77 0.00 0.00 0.10 0.00 0.00 34.13 32.22 1j96 s GLU 225 CO 0.28 -2.53 0.15 -0.35 0.02 0.00 0.00 175.26 172.83 1j96 n PRO 226 N -4.03 0.00 0.02 0.39 -0.04 -1.26 -4.89 135.00 125.19 1j96 n PRO 226 Ca 0.06 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.46 1j96 n PRO 226 Cb 0.58 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.68 1j96 n PRO 226 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1j96 h TRP 227 N 0.00 0.56 -3.70 0.54 4.06 -1.68 -3.43 115.95 112.30 1j96 h TRP 227 Ca 0.00 -0.15 -0.61 0.00 2.06 0.00 0.00 58.89 60.19 1j96 h TRP 227 Cb 0.00 -0.12 -0.32 0.00 -1.00 0.00 0.00 29.16 27.71 1j96 h TRP 227 CO 0.00 0.79 -0.85 0.08 -3.56 0.00 0.00 178.44 174.90 1j96 s VAL 228 N -4.27 1.66 0.13 1.49 1.01 -0.56 -4.43 120.40 115.44 1j96 s VAL 228 Ca -0.07 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.79 1j96 s VAL 228 Cb 0.13 -1.43 -0.07 0.00 0.00 0.00 0.00 36.38 35.00 1j96 s VAL 228 CO 0.81 0.47 1.26 -0.62 0.00 0.00 0.00 175.10 177.01 1j96 s ASP 229 N 0.18 7.00 0.29 3.32 -1.08 -1.26 -4.40 116.67 120.72 1j96 s ASP 229 Ca -0.09 2.21 0.24 0.00 -0.52 0.00 0.00 52.55 54.39 1j96 s ASP 229 Cb -0.14 -2.59 1.05 0.00 -1.46 0.00 0.00 42.92 39.77 1j96 s ASP 229 CO 0.04 -0.49 1.73 1.55 0.52 0.00 0.00 175.17 178.53 1j96 h PRO 230 N 6.08 0.00 -0.01 4.34 0.13 -1.97 -1.93 132.00 138.64 1j96 h PRO 230 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1j96 h PRO 230 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1j96 h PRO 230 CO 0.80 0.00 -0.18 0.09 -0.23 0.00 0.00 178.00 178.47 1j96 n ASN 231 N -2.31 0.78 -4.76 1.44 3.02 -1.26 -4.89 115.26 107.29 1j96 n ASN 231 Ca 0.01 -0.75 -0.36 0.00 -0.03 0.00 0.00 54.58 53.45 1j96 n ASN 231 Cb 0.20 0.04 0.02 0.00 -0.61 0.00 0.00 39.78 39.43 1j96 n ASN 231 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1j96 s SER 232 N -2.48 5.49 0.55 6.41 1.04 -0.73 -4.96 113.70 119.03 1j96 s SER 232 Ca 0.27 2.38 -0.20 0.00 0.48 0.00 0.00 55.95 58.87 1j96 s SER 232 Cb 0.20 -2.60 -0.05 0.00 0.10 0.00 0.00 66.02 63.67 1j96 s SER 232 CO 0.50 -1.39 1.22 -2.16 0.98 0.00 0.00 173.24 172.39 1j96 s PRO 233 N -3.15 3.18 -0.50 4.02 0.04 -1.26 -4.95 135.00 132.37 1j96 s PRO 233 Ca 0.73 1.88 -0.24 0.00 0.04 0.00 0.00 61.00 63.41 1j96 s PRO 233 Cb -0.30 -2.09 0.03 0.00 0.04 0.00 0.00 34.50 32.19 1j96 s PRO 233 CO 0.34 -1.05 0.90 0.08 0.04 0.00 0.00 177.00 177.30 1j96 s VAL 234 N -1.54 4.48 0.20 -0.36 1.01 -1.26 -4.95 120.40 117.99 1j96 s VAL 234 Ca 0.73 0.42 -0.14 0.00 0.00 0.00 0.00 61.98 62.99 1j96 s VAL 234 Cb -0.31 -4.46 0.21 0.00 0.00 0.00 0.00 36.38 31.82 1j96 s VAL 234 CO 0.36 -0.95 1.63 0.25 0.00 0.00 0.00 175.10 176.39 1j96 h LEU 235 N 10.66 -0.55 0.00 3.92 5.85 -1.87 -1.68 115.31 131.63 1j96 h LEU 235 Ca -0.25 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1j96 h LEU 235 Cb 1.08 0.37 0.00 0.00 0.37 0.00 0.00 40.66 42.47 1j96 h LEU 235 CO 1.04 -0.20 0.00 0.18 -0.34 0.00 0.00 178.44 179.13 1j96 n LEU 236 N -5.41 0.00 -0.58 2.25 4.77 -1.26 -1.44 117.00 115.33 1j96 n LEU 236 Ca 0.07 0.14 0.13 0.00 -0.03 0.00 0.00 56.01 56.31 1j96 n LEU 236 Cb 0.31 -0.14 0.42 0.00 -2.33 0.00 0.00 43.42 41.68 1j96 n LEU 236 CO 0.06 -0.04 0.81 -0.62 -1.33 0.00 0.00 177.39 176.27 1j96 n GLU 237 N -1.14 1.78 -1.69 3.23 1.02 -0.63 -4.77 120.64 118.43 1j96 n GLU 237 Ca 0.13 -1.15 -0.44 0.00 -0.02 0.00 0.00 57.16 55.68 1j96 n GLU 237 Cb 0.12 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.06 1j96 n GLU 237 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1j96 n ASP 238 N 0.38 3.37 -0.06 1.62 -0.08 -0.52 -4.88 116.55 116.38 1j96 n ASP 238 Ca 0.18 1.10 -0.01 0.00 -1.51 0.00 0.00 54.79 54.54 1j96 n ASP 238 Cb 0.38 -1.49 0.25 0.00 2.34 0.00 0.00 41.12 42.60 1j96 n ASP 238 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1j96 h PRO 239 N 5.68 0.66 -0.20 -0.67 0.11 -1.92 -0.86 132.00 134.79 1j96 h PRO 239 Ca -0.45 -0.14 -0.05 0.00 0.11 0.00 0.00 66.00 65.47 1j96 h PRO 239 Cb 1.24 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1j96 h PRO 239 CO 0.87 0.64 -0.09 0.28 -0.21 0.00 0.00 178.00 179.49 1j96 h VAL 240 N 0.63 1.30 -0.67 3.15 2.07 -1.99 0.04 116.25 120.79 1j96 h VAL 240 Ca 0.14 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1j96 h VAL 240 Cb 0.32 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1j96 h VAL 240 CO 0.01 0.34 0.40 -0.07 0.02 0.00 0.00 177.57 178.26 1j96 h LEU 241 N 0.11 0.81 -0.86 2.57 3.38 -1.88 -0.91 115.31 118.53 1j96 h LEU 241 Ca 0.05 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1j96 h LEU 241 Cb 0.56 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1j96 h LEU 241 CO 0.03 0.65 -0.13 0.00 0.09 0.00 0.00 178.44 179.07 1j96 h ALA 243 N 1.22 0.60 -0.61 0.00 0.00 -0.62 -0.74 119.26 119.10 1j96 h ALA 243 Ca 0.11 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1j96 h ALA 243 Cb 0.59 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1j96 h ALA 243 CO 0.04 0.67 0.12 -0.07 0.00 0.00 0.00 179.25 180.01 1j96 h LEU 244 N 0.79 0.96 -0.34 0.00 3.38 -1.06 -1.50 115.31 117.53 1j96 h LEU 244 Ca 0.07 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1j96 h LEU 244 Cb 0.93 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 1j96 h LEU 244 CO 0.09 0.96 0.21 0.00 0.09 0.00 0.00 178.44 179.79 1j96 h ALA 245 N 1.03 0.43 -0.55 1.53 0.00 -0.98 -2.02 119.26 118.69 1j96 h ALA 245 Ca 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1j96 h ALA 245 Cb 0.40 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1j96 h ALA 245 CO 0.01 -0.13 0.19 0.87 0.00 0.00 0.00 179.25 180.19 1j96 h LYS 246 N 0.44 0.84 -0.74 0.00 1.57 -0.98 0.94 116.57 118.63 1j96 h LYS 246 Ca 0.13 -0.17 0.06 0.00 -1.87 0.00 0.00 60.65 58.80 1j96 h LYS 246 Cb -0.03 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.09 1j96 h LYS 246 CO -0.04 0.75 0.43 -0.22 -0.57 0.00 0.00 179.45 179.81 1j96 h LYS 247 N 0.76 0.77 -0.01 3.15 3.64 -1.05 -2.87 116.57 120.96 1j96 h LYS 247 Ca 0.18 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1j96 h LYS 247 Cb 0.24 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1j96 h LYS 247 CO -0.01 0.51 -0.11 0.72 -2.27 0.00 0.00 179.45 178.29 1j96 n HIS 248 N -4.73 0.00 -3.61 1.91 8.25 -0.78 -4.94 115.22 111.32 1j96 n HIS 248 Ca 0.10 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.32 1j96 n HIS 248 Cb 0.18 -0.04 0.08 0.00 1.12 0.00 0.00 29.99 31.33 1j96 n HIS 248 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1j96 n LYS 249 N 0.07 -7.92 0.00 -0.41 5.02 0.10 -4.99 118.16 110.03 1j96 n LYS 249 Ca 0.16 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 1j96 n LYS 249 Cb 0.39 -5.88 0.00 0.00 -0.02 0.00 0.00 35.03 29.53 1j96 n LYS 249 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1j96 n ARG 250 N -5.00 3.97 -4.16 1.97 5.12 0.08 -5.03 116.66 113.61 1j96 n ARG 250 Ca 0.01 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.81 1j96 n ARG 250 Cb 0.56 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.76 1j96 n ARG 250 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1j96 s THR 251 N 1.92 0.77 0.37 0.55 -4.23 -1.26 -4.60 115.64 109.17 1j96 s THR 251 Ca 0.00 -1.75 0.06 0.00 -1.18 0.00 0.00 61.69 58.83 1j96 s THR 251 Cb 0.00 -1.46 0.29 0.00 1.34 0.00 0.00 72.50 72.67 1j96 s THR 251 CO 0.00 -0.71 1.98 1.55 -0.54 0.00 0.00 174.62 176.90 1j96 h PRO 252 N 3.32 0.69 -0.47 3.99 0.13 -1.88 -1.98 132.00 135.81 1j96 h PRO 252 Ca -0.36 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.74 1j96 h PRO 252 Cb 1.18 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.13 1j96 h PRO 252 CO 0.58 0.46 0.31 0.00 -0.23 0.00 0.00 178.00 179.12 1j96 h ALA 253 N 1.63 0.60 -0.74 -0.56 0.00 -1.93 -1.63 119.26 116.63 1j96 h ALA 253 Ca 0.27 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1j96 h ALA 253 Cb 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1j96 h ALA 253 CO -0.08 0.04 0.35 -0.07 0.00 0.00 0.00 179.25 179.48 1j96 h LEU 254 N 0.63 0.95 -0.34 0.00 3.38 -1.76 -0.84 115.31 117.33 1j96 h LEU 254 Ca 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1j96 h LEU 254 Cb -0.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1j96 h LEU 254 CO -0.04 0.81 0.16 0.40 0.09 0.00 0.00 178.44 179.85 1j96 h ILE 255 N 1.05 1.17 -0.74 1.22 1.08 -1.08 -1.38 117.51 118.82 1j96 h ILE 255 Ca 0.25 -0.49 -0.03 0.00 -0.39 0.00 0.00 64.86 64.20 1j96 h ILE 255 Cb 0.11 0.87 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 1j96 h ILE 255 CO -0.03 0.18 0.33 0.00 -0.69 0.00 0.00 178.15 177.94 1j96 h ALA 256 N 1.01 1.19 -0.24 1.87 0.00 -0.84 -1.72 119.26 120.52 1j96 h ALA 256 Ca 0.12 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1j96 h ALA 256 Cb 0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1j96 h ALA 256 CO -0.01 0.61 -0.33 -0.07 0.00 0.00 0.00 179.25 179.44 1j96 h LEU 257 N 1.06 0.71 -1.08 0.00 3.38 -1.03 -3.23 115.31 115.12 1j96 h LEU 257 Ca 0.25 -0.51 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1j96 h LEU 257 Cb 0.14 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1j96 h LEU 257 CO -0.03 1.08 -0.01 -0.09 0.09 0.00 0.00 178.44 179.48 1j96 h ARG 258 N 0.37 0.63 -0.48 1.13 9.65 -1.08 -2.43 114.38 122.17 1j96 h ARG 258 Ca 0.03 -0.16 0.09 0.00 -1.10 0.00 0.00 59.98 58.84 1j96 h ARG 258 Cb 0.91 -0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 29.34 1j96 h ARG 258 CO 0.08 0.66 0.05 -0.92 2.80 0.00 0.00 179.97 182.65 1j96 h TYR 259 N 0.60 0.07 -0.41 2.20 3.20 -1.36 -2.02 116.97 119.25 1j96 h TYR 259 Ca 0.12 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1j96 h TYR 259 Cb 0.40 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.69 1j96 h TYR 259 CO 0.02 -0.05 0.12 1.96 -1.64 0.00 0.00 178.16 178.56 1j96 h GLN 260 N 0.18 0.65 -0.82 1.82 1.08 -1.46 -2.90 115.11 113.65 1j96 h GLN 260 Ca 0.24 -0.15 0.06 0.00 -1.45 0.00 0.00 58.65 57.35 1j96 h GLN 260 Cb 0.34 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.62 1j96 h GLN 260 CO -0.35 0.65 0.50 -0.07 -0.95 0.00 0.00 178.83 178.61 1j96 h LEU 261 N 0.53 0.78 0.00 1.46 3.38 -1.10 -1.86 115.31 118.49 1j96 h LEU 261 Ca 0.13 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1j96 h LEU 261 Cb 0.28 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1j96 h LEU 261 CO -0.00 0.50 0.00 0.00 0.09 0.00 0.00 178.44 179.02 1j96 n GLN 262 N -4.66 0.23 -0.40 1.13 6.02 -0.81 -2.34 117.38 116.56 1j96 n GLN 262 Ca 0.12 0.05 0.08 0.00 -0.01 0.00 0.00 57.00 57.24 1j96 n GLN 262 Cb 0.18 -1.50 0.25 0.00 1.02 0.00 0.00 30.24 30.19 1j96 n GLN 262 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1j96 n ARG 263 N -1.37 3.17 -0.85 -1.09 1.85 -0.86 -4.97 116.66 112.54 1j96 n ARG 263 Ca 0.10 -2.56 0.00 0.00 -1.00 0.00 0.00 57.85 54.39 1j96 n ARG 263 Cb 0.24 -1.64 0.00 0.00 -1.05 0.00 0.00 32.46 30.01 1j96 n ARG 263 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1j96 n GLY 264 N 0.48 0.50 3.88 2.89 0.00 -0.99 -5.06 105.19 106.90 1j96 n GLY 264 Ca 0.19 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 1j96 n GLY 264 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j96 s VAL 265 N -2.00 5.37 -0.14 1.61 1.01 -0.76 -4.71 120.40 120.78 1j96 s VAL 265 Ca 0.00 0.26 -0.22 0.00 0.00 0.00 0.00 61.98 62.02 1j96 s VAL 265 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1j96 s VAL 265 CO 0.00 0.51 0.67 -0.69 0.00 0.00 0.00 175.10 175.59 1j96 s VAL 266 N -1.15 5.03 -0.08 2.92 1.01 -0.78 -3.94 120.40 123.41 1j96 s VAL 266 Ca 0.21 1.32 0.02 0.00 0.00 0.00 0.00 61.98 63.53 1j96 s VAL 266 Cb -0.13 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 1j96 s VAL 266 CO 0.10 0.17 -0.13 0.54 0.00 0.00 0.00 175.10 175.78 1j96 s VAL 267 N 1.44 3.11 0.26 2.92 0.11 -0.50 -0.49 120.40 127.25 1j96 s VAL 267 Ca 0.33 -0.68 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 1j96 s VAL 267 Cb -0.16 -2.25 -0.04 0.00 -1.53 0.00 0.00 36.38 32.40 1j96 s VAL 267 CO 0.13 0.57 0.43 -0.76 -3.33 0.00 0.00 175.10 172.14 1j96 s LEU 268 N -0.34 4.18 -0.20 2.54 1.43 -0.65 -0.55 118.68 125.09 1j96 s LEU 268 Ca 0.03 0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 53.42 1j96 s LEU 268 Cb -0.13 -3.14 0.10 0.00 0.03 0.00 0.00 46.19 43.05 1j96 s LEU 268 CO 0.02 -0.13 0.39 0.00 0.23 0.00 0.00 176.35 176.86 1j96 s ALA 269 N -2.04 -1.07 -0.09 4.21 0.00 -0.11 -4.47 121.76 118.19 1j96 s ALA 269 Ca 0.38 1.28 -0.14 0.00 0.00 0.00 0.00 51.96 53.47 1j96 s ALA 269 Cb -0.10 -1.39 -0.05 0.00 0.00 0.00 0.00 23.12 21.58 1j96 s ALA 269 CO 0.31 -0.88 0.36 0.21 0.00 0.00 0.00 175.76 175.76 1j96 s LYS 270 N 2.57 4.07 -0.20 0.00 2.36 -1.26 -1.46 119.74 125.83 1j96 s LYS 270 Ca 0.03 0.26 -0.15 0.00 -2.55 0.00 0.00 55.97 53.56 1j96 s LYS 270 Cb -0.13 -3.33 0.06 0.00 -1.05 0.00 0.00 37.83 33.38 1j96 s LYS 270 CO -0.13 0.44 0.51 0.45 1.55 0.00 0.00 175.35 178.17 1j96 s SER 271 N -0.22 -0.59 -0.03 1.43 0.15 -1.26 -4.95 113.70 108.23 1j96 s SER 271 Ca 0.21 1.07 0.14 0.00 0.70 0.00 0.00 55.95 58.07 1j96 s SER 271 Cb -0.15 1.03 0.43 0.00 -1.71 0.00 0.00 66.02 65.62 1j96 s SER 271 CO 0.09 -0.19 1.36 -1.22 1.20 0.00 0.00 173.24 174.47 1j96 n TYR 272 N 3.42 0.71 -3.94 3.44 4.02 -1.26 -4.84 117.16 118.71 1j96 n TYR 272 Ca -0.17 -0.56 -0.35 0.00 -0.01 0.00 0.00 57.90 56.81 1j96 n TYR 272 Cb 0.56 -0.08 -0.11 0.00 -0.02 0.00 0.00 39.34 39.69 1j96 n TYR 272 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1j96 s ASN 273 N -1.11 5.42 0.18 7.72 3.84 -1.26 -4.85 114.94 124.88 1j96 s ASN 273 Ca 0.33 -0.04 -0.15 0.00 0.21 0.00 0.00 52.86 53.21 1j96 s ASN 273 Cb 0.19 -1.94 0.15 0.00 -0.55 0.00 0.00 41.25 39.10 1j96 s ASN 273 CO 0.19 0.09 1.67 -0.08 -2.79 0.00 0.00 177.10 176.18 1j96 h GLU 274 N 7.29 0.05 -0.17 0.43 4.81 -1.99 -0.53 114.58 124.48 1j96 h GLU 274 Ca -0.36 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.71 1j96 h GLU 274 Cb 1.17 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 1j96 h GLU 274 CO 0.64 0.04 -0.52 1.96 -0.73 0.00 0.00 179.01 180.40 1j96 h GLN 275 N 0.06 0.49 -0.08 1.92 7.50 -1.99 -2.50 115.11 120.50 1j96 h GLN 275 Ca 0.23 -0.30 -0.12 0.00 0.50 0.00 0.00 58.65 58.96 1j96 h GLN 275 Cb 0.35 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.89 1j96 h GLN 275 CO -0.43 0.89 -0.50 0.00 -1.50 0.00 0.00 178.83 177.29 1j96 h ARG 276 N 0.38 0.20 -0.27 1.46 3.08 -1.86 -0.19 114.38 117.18 1j96 h ARG 276 Ca 0.01 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 1j96 h ARG 276 Cb 1.04 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 1j96 h ARG 276 CO 0.10 0.66 0.17 0.82 -1.07 0.00 0.00 179.97 180.64 1j96 h ILE 277 N 0.16 1.10 -0.44 2.04 2.04 -1.00 -0.66 117.51 120.75 1j96 h ILE 277 Ca 0.01 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.53 1j96 h ILE 277 Cb 0.94 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1j96 h ILE 277 CO 0.08 0.10 -0.13 0.03 0.00 0.00 0.00 178.15 178.22 1j96 h ARG 278 N 0.35 0.82 -0.48 2.37 3.08 -1.30 -2.92 114.38 116.29 1j96 h ARG 278 Ca 0.10 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 1j96 h ARG 278 Cb 0.01 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1j96 h ARG 278 CO -0.02 0.91 0.30 0.37 -1.07 0.00 0.00 179.97 180.46 1j96 h GLN 279 N 0.73 0.65 -0.07 0.04 4.15 -0.63 -3.08 115.11 116.90 1j96 h GLN 279 Ca 0.12 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 1j96 h GLN 279 Cb 0.63 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 1j96 h GLN 279 CO 0.04 0.46 -0.01 -0.91 -1.93 0.00 0.00 178.83 176.49 1j96 h ASN 280 N 0.65 0.08 0.71 -0.69 -0.26 -0.93 -0.39 115.58 114.74 1j96 h ASN 280 Ca 0.17 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.91 1j96 h ASN 280 Cb -0.03 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1j96 h ASN 280 CO -0.03 0.11 0.00 0.52 -1.06 0.00 0.00 177.43 176.97 1j96 n VAL 281 N -4.47 0.82 1.18 2.81 0.31 -1.16 -2.44 118.33 115.37 1j96 n VAL 281 Ca -0.02 0.18 0.08 0.00 -0.01 0.00 0.00 64.34 64.58 1j96 n VAL 281 Cb 0.13 -1.00 0.49 0.00 -0.91 0.00 0.00 33.84 32.55 1j96 n VAL 281 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j96 n GLN 282 N -1.86 0.59 0.31 5.55 6.02 -0.16 -3.06 117.38 124.77 1j96 n GLN 282 Ca 0.03 0.00 0.18 0.00 -0.01 0.00 0.00 57.00 57.21 1j96 n GLN 282 Cb 0.23 -1.43 1.04 0.00 1.02 0.00 0.00 30.24 31.09 1j96 n GLN 282 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 1j96 h VAL 283 N 0.00 0.29 -0.14 5.09 3.04 -1.67 -1.23 116.25 121.64 1j96 h VAL 283 Ca 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 1j96 h VAL 283 Cb 0.00 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.31 1j96 h VAL 283 CO 0.00 0.01 0.00 0.49 -1.01 0.00 0.00 177.57 177.06 1j96 n PHE 284 N -3.50 0.17 0.90 3.17 3.72 -1.17 -4.11 117.46 116.65 1j96 n PHE 284 Ca -0.03 -0.09 0.11 0.00 -0.05 0.00 0.00 57.45 57.39 1j96 n PHE 284 Cb 0.09 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.70 1j96 n PHE 284 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1j96 n GLU 285 N 0.04 1.90 -3.85 -1.08 -0.58 -0.46 -4.99 120.64 111.61 1j96 n GLU 285 Ca 0.15 -1.65 -0.09 0.00 -0.42 0.00 0.00 57.16 55.14 1j96 n GLU 285 Cb 0.25 -1.41 -0.04 0.00 -0.57 0.00 0.00 31.44 29.66 1j96 n GLU 285 CO 0.00 0.00 0.00 -0.59 -0.48 0.00 0.00 177.13 176.06 1j96 s PHE 286 N -1.88 0.07 0.06 -0.32 -0.71 -1.26 -5.18 117.98 108.76 1j96 s PHE 286 Ca 0.24 -0.43 0.04 0.00 -1.04 0.00 0.00 56.93 55.73 1j96 s PHE 286 Cb 0.18 0.32 -0.03 0.00 -1.21 0.00 0.00 43.02 42.28 1j96 s PHE 286 CO 0.31 -0.95 -0.12 -0.65 -1.34 0.00 0.00 175.22 172.47 1j96 s GLN 287 N -3.93 0.72 0.01 1.99 -0.21 -1.26 -5.01 119.66 111.97 1j96 s GLN 287 Ca 0.14 -0.85 -0.09 0.00 0.02 0.00 0.00 55.36 54.58 1j96 s GLN 287 Cb -0.01 -0.65 -0.05 0.00 1.00 0.00 0.00 33.01 33.30 1j96 s GLN 287 CO 0.02 0.14 0.31 -0.51 -2.12 0.00 0.00 175.29 173.13 1j96 s LEU 288 N -1.58 4.38 0.86 2.90 1.43 -1.26 -5.11 118.68 120.31 1j96 s LEU 288 Ca -0.04 0.67 -0.13 0.00 -1.03 0.00 0.00 54.13 53.60 1j96 s LEU 288 Cb -0.10 -2.66 0.11 0.00 0.03 0.00 0.00 46.19 43.58 1j96 s LEU 288 CO 0.01 0.26 1.18 0.42 0.23 0.00 0.00 176.35 178.46 1j96 s THR 289 N -1.25 1.99 0.33 5.49 -4.23 -1.26 -4.85 115.64 111.86 1j96 s THR 289 Ca 0.27 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.80 1j96 s THR 289 Cb -0.14 -2.92 0.18 0.00 1.34 0.00 0.00 72.50 70.97 1j96 s THR 289 CO 0.15 0.00 1.89 0.77 -0.54 0.00 0.00 174.62 176.89 1j96 h SER 290 N -1.28 0.62 -0.42 3.99 4.64 -1.99 -0.52 113.55 118.60 1j96 h SER 290 Ca -0.47 -0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 60.65 1j96 h SER 290 Cb 1.32 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 1j96 h SER 290 CO 0.61 0.61 -0.16 -0.33 -0.87 0.00 0.00 176.83 176.69 1j96 h GLU 291 N 0.67 0.90 -0.52 4.77 4.39 -1.99 -1.38 114.58 121.42 1j96 h GLU 291 Ca 0.15 -0.34 -0.08 0.00 0.34 0.00 0.00 59.36 59.43 1j96 h GLU 291 Cb 0.22 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1j96 h GLU 291 CO -0.01 0.99 -0.00 0.93 -1.16 0.00 0.00 179.01 179.76 1j96 h GLU 292 N 0.79 0.92 -0.75 2.33 5.08 -1.77 -1.08 114.58 120.11 1j96 h GLU 292 Ca 0.12 -0.29 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1j96 h GLU 292 Cb 0.70 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 1j96 h GLU 292 CO 0.05 0.94 0.49 0.52 -1.00 0.00 0.00 179.01 180.02 1j96 h MET 293 N 0.79 0.97 -0.83 2.33 2.86 -0.93 -1.55 114.93 118.56 1j96 h MET 293 Ca 0.15 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 1j96 h MET 293 Cb 0.53 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 1j96 h MET 293 CO 0.03 0.64 0.38 0.87 1.06 0.00 0.00 176.91 179.89 1j96 h LYS 294 N 1.00 1.22 -0.76 1.72 1.57 -1.02 0.28 116.57 120.58 1j96 h LYS 294 Ca 0.28 -0.19 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1j96 h LYS 294 Cb -0.10 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 31.96 1j96 h LYS 294 CO -0.07 0.95 0.50 0.00 -0.57 0.00 0.00 179.45 180.27 1j96 h ALA 295 N 1.20 0.96 -0.35 3.86 0.00 -0.70 -1.88 119.26 122.36 1j96 h ALA 295 Ca 0.28 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 1j96 h ALA 295 Cb 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1j96 h ALA 295 CO -0.03 0.38 -0.37 0.82 0.00 0.00 0.00 179.25 180.04 1j96 h ILE 296 N 1.03 1.28 -0.56 0.00 2.04 -0.97 -2.57 117.51 117.75 1j96 h ILE 296 Ca 0.28 -1.54 0.08 0.00 1.00 0.00 0.00 64.86 64.67 1j96 h ILE 296 Cb -0.12 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1j96 h ILE 296 CO -0.06 0.51 0.38 0.44 0.00 0.00 0.00 178.15 179.42 1j96 h ASP 297 N 0.68 0.40 0.47 1.72 3.32 -0.64 -1.68 116.42 120.69 1j96 h ASP 297 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1j96 h ASP 297 Cb 0.94 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1j96 h ASP 297 CO 0.09 0.25 0.00 0.61 -1.72 0.00 0.00 179.24 178.47 1j96 n GLY 298 N -1.51 -1.10 0.07 2.75 0.00 -0.73 -2.73 105.19 101.94 1j96 n GLY 298 Ca 0.08 0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1j96 n GLY 298 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1j96 n LEU 299 N -2.12 0.53 -4.65 0.99 4.77 -0.63 -4.90 117.00 110.99 1j96 n LEU 299 Ca 0.01 0.56 -0.54 0.00 -0.03 0.00 0.00 56.01 56.01 1j96 n LEU 299 Cb 0.16 -0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 1j96 n LEU 299 CO 0.15 -0.16 1.11 -3.20 -1.33 0.00 0.00 177.39 173.97 1j96 n ASN 300 N -2.01 2.10 -0.92 -1.43 5.15 -0.95 -4.45 115.26 112.74 1j96 n ASN 300 Ca 0.06 1.09 -0.01 0.00 -0.60 0.00 0.00 54.58 55.12 1j96 n ASN 300 Cb 0.38 -1.19 -0.01 0.00 -0.53 0.00 0.00 39.78 38.42 1j96 n ASN 300 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1j96 n ARG 301 N 3.90 0.00 -3.15 1.20 1.85 -0.64 -4.99 116.66 114.83 1j96 n ARG 301 Ca 0.22 -1.07 -0.22 0.00 -1.00 0.00 0.00 57.85 55.78 1j96 n ARG 301 Cb 0.18 0.03 0.05 0.00 -1.05 0.00 0.00 32.46 31.66 1j96 n ARG 301 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1j96 n ASN 302 N 0.14 -6.01 -4.35 2.89 5.15 -0.91 -4.96 115.26 107.21 1j96 n ASN 302 Ca -0.06 -0.34 -0.45 0.00 -0.60 0.00 0.00 54.58 53.13 1j96 n ASN 302 Cb 0.78 -4.77 -0.07 0.00 -0.53 0.00 0.00 39.78 35.19 1j96 n ASN 302 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1j96 s VAL 303 N -3.20 5.18 -0.41 3.44 1.01 -0.98 -5.03 120.40 120.41 1j96 s VAL 303 Ca 0.37 -1.26 -0.15 0.00 0.00 0.00 0.00 61.98 60.93 1j96 s VAL 303 Cb -0.16 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.05 1j96 s VAL 303 CO 0.46 -0.70 0.33 -0.60 0.00 0.00 0.00 175.10 174.58 1j96 s ARG 304 N 1.61 2.99 0.11 2.72 3.52 -1.26 -4.31 118.95 124.33 1j96 s ARG 304 Ca 0.04 -0.97 -0.14 0.00 -0.13 0.00 0.00 55.73 54.52 1j96 s ARG 304 Cb -0.27 -3.98 -0.07 0.00 -1.56 0.00 0.00 34.95 29.08 1j96 s ARG 304 CO 0.05 -0.77 1.45 1.88 -0.81 0.00 0.00 175.30 177.10 1j96 h TYR 305 N 8.65 0.89 -3.40 5.12 0.05 -1.95 -3.41 116.97 122.92 1j96 h TYR 305 Ca -0.27 -0.25 -0.72 0.00 0.05 0.00 0.00 58.73 57.53 1j96 h TYR 305 Cb 1.12 -0.19 -0.31 0.00 1.01 0.00 0.00 36.73 38.36 1j96 h TYR 305 CO 0.56 1.01 -0.37 -0.51 -1.05 0.00 0.00 178.16 177.80 1j96 s LEU 306 N -9.01 5.66 0.11 3.88 1.02 -1.26 -4.40 118.68 114.69 1j96 s LEU 306 Ca -0.12 -2.13 0.19 0.00 0.02 0.00 0.00 54.13 52.08 1j96 s LEU 306 Cb 0.09 -1.98 -0.09 0.00 0.02 0.00 0.00 46.19 44.23 1j96 s LEU 306 CO 0.84 -0.62 0.90 0.35 0.02 0.00 0.00 176.35 177.84 1j96 n THR 307 N 4.58 0.98 -4.07 5.49 -2.24 -1.26 -4.96 114.28 112.80 1j96 n THR 307 Ca -0.03 -0.64 -0.31 0.00 -2.27 0.00 0.00 64.05 60.80 1j96 n THR 307 Cb 0.41 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 68.02 1j96 n THR 307 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1j96 n LEU 308 N -2.81 -2.02 0.00 3.22 4.32 -1.26 -4.81 117.00 113.63 1j96 n LEU 308 Ca -0.06 -0.99 0.13 0.00 -0.02 0.00 0.00 56.01 55.07 1j96 n LEU 308 Cb 0.74 -2.19 0.75 0.00 -1.62 0.00 0.00 43.42 41.09 1j96 n LEU 308 CO 0.42 0.38 0.97 -0.90 -1.22 0.00 0.00 177.39 177.04 1j96 n ASP 309 N -2.83 0.00 0.25 -1.43 3.85 -1.26 -1.60 116.55 113.53 1j96 n ASP 309 Ca -0.11 -0.51 0.17 0.00 -0.71 0.00 0.00 54.79 53.62 1j96 n ASP 309 Cb 0.59 -0.13 0.73 0.00 -1.35 0.00 0.00 41.12 40.95 1j96 n ASP 309 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.20 176.35 1j96 h ILE 310 N 0.00 0.00 -0.58 2.12 3.07 -2.02 -1.63 117.51 118.47 1j96 h ILE 310 Ca 0.00 -0.34 0.00 0.00 1.55 0.00 0.00 64.86 66.07 1j96 h ILE 310 Cb 0.11 1.24 0.00 0.00 -0.27 0.00 0.00 36.82 37.91 1j96 h ILE 310 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 1j96 n PHE 311 N -2.85 0.77 -2.51 0.16 3.72 -0.62 -4.94 117.46 111.19 1j96 n PHE 311 Ca 0.00 -0.39 -0.35 0.00 -0.05 0.00 0.00 57.45 56.67 1j96 n PHE 311 Cb 0.23 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 1j96 n PHE 311 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1j96 s ALA 312 N -1.23 2.89 0.00 4.37 0.00 -0.62 -4.41 121.76 122.77 1j96 s ALA 312 Ca 0.43 0.66 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1j96 s ALA 312 Cb 0.23 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 20.08 1j96 s ALA 312 CO 0.31 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1j96 n GLY 313 N -0.09 2.36 3.65 0.00 0.00 -1.26 -5.08 105.19 104.76 1j96 n GLY 313 Ca 0.09 -0.52 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 1j96 n GLY 313 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1j96 n PRO 314 N 0.00 0.63 0.28 1.61 -0.02 -1.26 -4.88 135.00 131.35 1j96 n PRO 314 Ca 0.00 0.27 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 1j96 n PRO 314 Cb 0.00 -2.32 0.78 0.00 -0.02 0.00 0.00 33.50 31.94 1j96 n PRO 314 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1j96 h PRO 315 N -0.11 0.00 0.00 0.52 0.10 -1.99 -1.25 132.00 129.27 1j96 h PRO 315 Ca -0.48 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.62 1j96 h PRO 315 Cb 1.33 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.43 1j96 h PRO 315 CO 0.48 0.03 0.00 0.09 0.10 0.00 0.00 178.00 178.70 1j96 n ASN 316 N -4.09 0.00 -4.68 -2.05 3.02 -1.26 -4.76 115.26 101.44 1j96 n ASN 316 Ca -0.03 -0.01 -0.45 0.00 -0.03 0.00 0.00 54.58 54.06 1j96 n ASN 316 Cb 0.11 -0.31 -0.04 0.00 -0.61 0.00 0.00 39.78 38.93 1j96 n ASN 316 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1j96 n TYR 317 N -1.31 2.46 0.78 3.10 4.19 -0.47 -4.47 117.16 121.43 1j96 n TYR 317 Ca 0.12 0.02 0.12 0.00 3.31 0.00 0.00 57.90 61.46 1j96 n TYR 317 Cb 0.22 -2.66 0.23 0.00 0.49 0.00 0.00 39.34 37.63 1j96 n TYR 317 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1j96 n PRO 318 N 5.11 0.15 -0.31 2.98 -0.04 -1.26 -4.28 135.00 137.35 1j96 n PRO 318 Ca 0.19 0.04 0.11 0.00 -0.04 0.00 0.00 63.50 63.80 1j96 n PRO 318 Cb 0.33 -1.60 0.28 0.00 -0.04 0.00 0.00 33.50 32.48 1j96 n PRO 318 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1j96 n PHE 319 N -1.82 0.83 0.05 0.54 0.99 -1.26 -4.22 117.46 112.56 1j96 n PHE 319 Ca 0.04 -0.45 -0.12 0.00 -0.00 0.00 0.00 57.45 56.93 1j96 n PHE 319 Cb 0.39 -0.00 -0.13 0.00 -1.00 0.00 0.00 39.48 38.73 1j96 n PHE 319 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 1j96 h SER 320 N 4.05 0.18 -4.24 4.37 4.64 -1.99 -3.46 113.55 117.10 1j96 h SER 320 Ca 0.00 -0.23 -0.51 0.00 -0.47 0.00 0.00 61.79 60.58 1j96 h SER 320 Cb 0.96 -0.06 0.15 0.00 -0.31 0.00 0.00 62.40 63.14 1j96 h SER 320 CO 0.00 1.19 0.28 -1.81 -0.87 0.00 0.00 176.83 175.62 1j96 s ASP 321 N -6.72 3.94 0.16 4.97 1.01 -1.26 -4.94 116.67 113.83 1j96 s ASP 321 Ca -0.04 1.83 -0.15 0.00 0.71 0.00 0.00 52.55 54.89 1j96 s ASP 321 Cb 0.08 -2.46 0.10 0.00 1.01 0.00 0.00 42.92 41.65 1j96 s ASP 321 CO 0.84 -2.40 1.74 -0.08 0.21 0.00 0.00 175.17 175.48 1j96 h GLU 322 N -1.38 0.24 0.00 8.23 4.81 -1.93 -3.52 114.58 121.03 1j96 h GLU 322 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1j96 h GLU 322 Cb 1.25 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1j96 h GLU 322 CO 0.50 0.16 0.00 2.48 -0.73 0.00 0.00 179.01 181.42