#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9a s SER 7 N 0.00 4.99 -0.08 0.00 1.04 -1.26 -4.97 113.70 113.42 1k9a s SER 7 Ca 0.00 1.51 -0.30 0.00 0.48 0.00 0.00 55.95 57.64 1k9a s SER 7 Cb 0.00 -2.33 -0.03 0.00 0.10 0.00 0.00 66.02 63.76 1k9a s SER 7 CO 0.00 -1.68 1.34 0.26 0.98 0.00 0.00 173.24 174.15 1k9a s TRP 8 N -3.08 2.79 0.80 5.02 0.51 -1.26 -4.98 118.94 118.74 1k9a s TRP 8 Ca 0.59 0.88 -0.13 0.00 -2.12 0.00 0.00 56.10 55.32 1k9a s TRP 8 Cb -0.14 -3.59 0.08 0.00 -0.81 0.00 0.00 33.47 29.01 1k9a s TRP 8 CO 0.55 -2.13 1.21 -2.14 -0.51 0.00 0.00 176.95 173.92 1k9a s PRO 9 N 3.04 1.65 0.50 4.98 0.02 -1.26 -4.65 135.00 139.29 1k9a s PRO 9 Ca 0.60 1.77 -0.23 0.00 0.02 0.00 0.00 61.00 63.16 1k9a s PRO 9 Cb -0.26 -1.78 -0.07 0.00 0.02 0.00 0.00 34.50 32.41 1k9a s PRO 9 CO 0.21 -2.21 1.24 0.45 -0.33 0.00 0.00 177.00 176.37 1k9a n SER 10 N -3.27 2.24 0.00 2.53 2.88 -1.26 -2.08 113.62 114.66 1k9a n SER 10 Ca 0.14 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1k9a n SER 10 Cb 0.50 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 1k9a n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1k9a n GLY 11 N 0.89 1.91 3.76 0.46 0.00 0.07 -4.99 105.19 107.29 1k9a n GLY 11 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 1k9a n GLY 11 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k9a s THR 12 N -2.36 2.48 -0.08 2.61 2.01 -0.88 -4.71 115.64 114.71 1k9a s THR 12 Ca 0.00 0.37 -0.01 0.00 0.31 0.00 0.00 61.69 62.36 1k9a s THR 12 Cb 0.00 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 1k9a s THR 12 CO 0.00 0.01 -0.01 -1.61 -0.69 0.00 0.00 174.62 172.31 1k9a s GLU 13 N -2.74 2.94 -0.01 4.92 2.02 -1.26 -0.42 118.70 124.16 1k9a s GLU 13 Ca 0.67 -0.44 0.02 0.00 0.02 0.00 0.00 54.97 55.24 1k9a s GLU 13 Cb -0.36 -2.76 -0.00 0.00 0.10 0.00 0.00 34.13 31.11 1k9a s GLU 13 CO 0.44 0.69 -0.06 0.00 0.02 0.00 0.00 175.26 176.35 1k9a s ILE 15 N -0.14 5.09 0.05 0.00 2.07 0.14 0.32 121.20 128.72 1k9a s ILE 15 Ca 0.02 0.06 -0.31 0.00 -1.41 0.00 0.00 60.65 59.01 1k9a s ILE 15 Cb -0.03 -3.22 -0.06 0.00 0.13 0.00 0.00 42.46 39.28 1k9a s ILE 15 CO -0.00 0.58 1.33 0.00 -1.91 0.00 0.00 174.94 174.93 1k9a s ALA 16 N -0.66 3.53 0.05 1.50 0.00 0.14 -0.48 121.76 125.82 1k9a s ALA 16 Ca 0.12 0.92 0.08 0.00 0.00 0.00 0.00 51.96 53.09 1k9a s ALA 16 Cb -0.12 -3.53 -0.22 0.00 0.00 0.00 0.00 23.12 19.25 1k9a s ALA 16 CO 0.02 -0.68 1.01 0.87 0.00 0.00 0.00 175.76 176.98 1k9a h LYS 17 N 7.22 0.02 -4.82 0.00 1.57 -1.30 0.20 116.57 119.46 1k9a h LYS 17 Ca -0.40 -0.03 -0.37 0.00 -1.87 0.00 0.00 60.65 57.98 1k9a h LYS 17 Cb 1.20 0.01 -0.14 0.00 0.08 0.00 0.00 32.23 33.38 1k9a h LYS 17 CO 0.86 0.81 -0.58 0.71 -0.57 0.00 0.00 179.45 180.69 1k9a s TYR 18 N -2.66 1.50 0.33 -1.35 2.02 -1.25 -4.78 117.35 111.16 1k9a s TYR 18 Ca -0.02 -1.36 -0.25 0.00 -0.37 0.00 0.00 57.07 55.07 1k9a s TYR 18 Cb 0.09 -0.79 -0.10 0.00 -0.40 0.00 0.00 41.96 40.76 1k9a s TYR 18 CO 0.82 -0.54 0.93 -0.80 -1.57 0.00 0.00 175.55 174.39 1k9a s ASN 19 N -3.31 7.28 -0.11 2.29 0.01 -1.26 -3.70 114.94 116.14 1k9a s ASN 19 Ca 0.37 1.79 0.01 0.00 -0.71 0.00 0.00 52.86 54.33 1k9a s ASN 19 Cb 0.06 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 39.17 1k9a s ASN 19 CO 0.16 -0.09 -0.14 0.12 -1.51 0.00 0.00 177.10 175.64 1k9a s PHE 20 N -1.67 1.93 -1.55 2.20 5.36 0.00 -4.94 117.98 119.31 1k9a s PHE 20 Ca 0.51 -0.93 0.21 0.00 -0.96 0.00 0.00 56.93 55.76 1k9a s PHE 20 Cb -0.17 -1.41 -0.10 0.00 -0.34 0.00 0.00 43.02 41.00 1k9a s PHE 20 CO 0.22 -0.49 0.98 0.72 -1.46 0.00 0.00 175.22 175.19 1k9a n HIS 21 N 4.31 0.00 0.00 10.12 8.25 -1.26 -2.11 115.22 134.53 1k9a n HIS 21 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1k9a n HIS 21 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1k9a n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k9a n GLY 22 N 1.43 0.31 0.03 -1.41 0.00 -1.26 -4.83 105.19 99.45 1k9a n GLY 22 Ca 0.07 -1.41 -0.02 0.00 0.00 0.00 0.00 46.02 44.66 1k9a n GLY 22 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k9a n THR 23 N 1.05 0.38 -4.49 2.61 -2.24 -1.26 -5.06 114.28 105.27 1k9a n THR 23 Ca 0.00 -0.29 -0.25 0.00 -2.27 0.00 0.00 64.05 61.24 1k9a n THR 23 Cb 0.00 -0.48 -0.08 0.00 -2.10 0.00 0.00 70.33 67.67 1k9a n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k9a s ALA 24 N -2.30 2.86 0.00 6.98 0.00 -1.26 -5.05 121.76 122.99 1k9a s ALA 24 Ca -0.04 -1.28 0.17 0.00 0.00 0.00 0.00 51.96 50.82 1k9a s ALA 24 Cb 0.03 0.89 0.37 0.00 0.00 0.00 0.00 23.12 24.41 1k9a s ALA 24 CO 0.32 -0.40 1.58 1.49 0.00 0.00 0.00 175.76 178.76 1k9a h GLU 25 N 1.78 0.00 0.00 0.00 4.81 -2.02 -3.11 114.58 116.04 1k9a h GLU 25 Ca -0.32 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.89 1k9a h GLU 25 Cb 1.27 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 1k9a h GLU 25 CO 0.51 0.45 -0.07 -0.56 -0.73 0.00 0.00 179.01 178.60 1k9a h GLN 26 N 0.00 0.00 -6.99 1.92 3.07 -1.96 -3.47 115.11 107.69 1k9a h GLN 26 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 58.65 58.20 1k9a h GLN 26 Cb 1.15 0.00 0.10 0.00 0.08 0.00 0.00 27.48 28.82 1k9a h GLN 26 CO 0.06 0.07 0.63 -0.51 0.09 0.00 0.00 178.83 179.17 1k9a s ASP 27 N -6.06 5.95 -0.41 0.06 1.11 -1.18 -0.78 116.67 115.35 1k9a s ASP 27 Ca 0.04 2.73 -0.13 0.00 0.18 0.00 0.00 52.55 55.37 1k9a s ASP 27 Cb 0.07 -2.64 0.04 0.00 1.07 0.00 0.00 42.92 41.46 1k9a s ASP 27 CO 0.63 -1.11 0.27 -0.22 1.18 0.00 0.00 175.17 175.93 1k9a s LEU 28 N -2.80 5.06 0.96 1.23 2.96 0.18 -4.59 118.68 121.68 1k9a s LEU 28 Ca 0.62 -1.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.30 1k9a s LEU 28 Cb -0.39 -2.08 0.17 0.00 0.50 0.00 0.00 46.19 44.38 1k9a s LEU 28 CO 0.50 -0.48 1.09 -2.84 -1.32 0.00 0.00 176.35 173.30 1k9a s PRO 29 N 1.58 0.73 -0.19 0.98 0.02 -1.26 -4.77 135.00 132.09 1k9a s PRO 29 Ca 0.03 0.75 -0.35 0.00 0.02 0.00 0.00 61.00 61.45 1k9a s PRO 29 Cb -0.21 -1.75 0.14 0.00 0.02 0.00 0.00 34.50 32.70 1k9a s PRO 29 CO 0.07 -2.59 1.20 -0.59 -0.33 0.00 0.00 177.00 174.76 1k9a s PHE 30 N -2.88 -0.14 0.23 6.54 -0.12 -0.90 -4.99 117.98 115.72 1k9a s PHE 30 Ca 0.65 0.09 0.05 0.00 -0.05 0.00 0.00 56.93 57.67 1k9a s PHE 30 Cb -0.19 0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 42.68 1k9a s PHE 30 CO 0.58 -0.21 0.29 0.00 -0.05 0.00 0.00 175.22 175.83 1k9a n LYS 32 N -1.15 2.29 0.00 0.00 4.81 -1.24 -1.55 118.16 121.33 1k9a n LYS 32 Ca -0.08 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1k9a n LYS 32 Cb 0.57 -2.48 0.00 0.00 0.02 0.00 0.00 35.03 33.13 1k9a n LYS 32 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1k9a n GLY 33 N 1.53 2.23 3.76 3.14 0.00 0.70 -4.96 105.19 111.59 1k9a n GLY 33 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1k9a n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k9a s ASP 34 N -2.29 5.38 -0.24 1.61 1.01 -0.59 -4.59 116.67 116.96 1k9a s ASP 34 Ca 0.00 2.37 -0.12 0.00 0.71 0.00 0.00 52.55 55.50 1k9a s ASP 34 Cb 0.00 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.29 1k9a s ASP 34 CO 0.00 -1.46 0.25 -0.69 0.21 0.00 0.00 175.17 173.47 1k9a s VAL 35 N -1.60 5.29 -0.07 -1.27 1.01 -1.26 -0.69 120.40 121.82 1k9a s VAL 35 Ca 0.75 0.36 0.05 0.00 0.00 0.00 0.00 61.98 63.13 1k9a s VAL 35 Cb -0.30 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1k9a s VAL 35 CO 0.33 0.29 -0.20 -0.76 0.00 0.00 0.00 175.10 174.76 1k9a s LEU 36 N 1.30 2.34 -0.23 3.92 1.43 0.15 -3.95 118.68 123.64 1k9a s LEU 36 Ca 0.11 -0.40 -0.07 0.00 -1.03 0.00 0.00 54.13 52.74 1k9a s LEU 36 Cb -0.14 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.59 1k9a s LEU 36 CO 0.07 0.26 0.07 -0.89 0.23 0.00 0.00 176.35 176.08 1k9a s THR 37 N -0.23 4.43 0.38 5.49 2.01 -0.46 0.24 115.64 127.51 1k9a s THR 37 Ca -0.01 -0.14 -0.26 0.00 0.31 0.00 0.00 61.69 61.59 1k9a s THR 37 Cb -0.13 -3.05 -0.09 0.00 0.01 0.00 0.00 72.50 69.24 1k9a s THR 37 CO 0.03 0.37 1.25 -0.63 -0.69 0.00 0.00 174.62 174.94 1k9a s ILE 38 N 1.30 2.86 -0.11 1.82 -1.09 0.44 -0.42 121.20 126.01 1k9a s ILE 38 Ca 0.05 0.78 -0.07 0.00 -2.23 0.00 0.00 60.65 59.18 1k9a s ILE 38 Cb -0.15 -3.46 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 1k9a s ILE 38 CO 0.04 0.12 -0.16 0.52 -1.23 0.00 0.00 174.94 174.22 1k9a n VAL 39 N 0.28 0.80 -3.60 2.92 0.31 0.78 -0.75 118.33 119.06 1k9a n VAL 39 Ca 0.03 -0.11 -0.09 0.00 -0.01 0.00 0.00 64.34 64.16 1k9a n VAL 39 Cb 0.44 -1.71 -0.05 0.00 -0.91 0.00 0.00 33.84 31.61 1k9a n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1k9a s ALA 40 N -2.26 -1.98 0.30 3.52 0.00 -1.02 -4.34 121.76 115.97 1k9a s ALA 40 Ca -0.17 1.69 -0.22 0.00 0.00 0.00 0.00 51.96 53.26 1k9a s ALA 40 Cb 0.06 -1.03 -0.09 0.00 0.00 0.00 0.00 23.12 22.06 1k9a s ALA 40 CO 0.22 -0.27 0.84 0.54 0.00 0.00 0.00 175.76 177.09 1k9a s VAL 41 N -0.77 4.41 0.10 0.00 0.11 -1.26 0.64 120.40 123.63 1k9a s VAL 41 Ca 0.01 1.50 -0.01 0.00 -2.93 0.00 0.00 61.98 60.55 1k9a s VAL 41 Cb -0.02 -3.86 0.02 0.00 -1.53 0.00 0.00 36.38 30.99 1k9a s VAL 41 CO -0.02 0.08 0.14 0.35 -3.33 0.00 0.00 175.10 172.31 1k9a n THR 42 N 0.38 0.00 0.28 5.04 -2.24 -0.80 -4.86 114.28 112.07 1k9a n THR 42 Ca 0.01 -0.17 0.15 0.00 -2.27 0.00 0.00 64.05 61.78 1k9a n THR 42 Cb 0.51 -1.55 0.80 0.00 -2.10 0.00 0.00 70.33 68.00 1k9a n THR 42 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1k9a h LYS 43 N 0.00 0.00 -4.91 -0.78 6.56 -1.98 -3.37 116.57 112.09 1k9a h LYS 43 Ca -0.04 0.00 -0.65 0.00 -1.06 0.00 0.00 60.65 58.89 1k9a h LYS 43 Cb 0.15 0.00 -0.22 0.00 -0.57 0.00 0.00 32.23 31.58 1k9a h LYS 43 CO 0.04 0.08 -0.61 0.34 -2.06 0.00 0.00 179.45 177.24 1k9a s ASP 44 N -5.95 5.25 0.67 0.86 -1.08 -1.26 -4.98 116.67 110.17 1k9a s ASP 44 Ca -0.03 -0.28 0.40 0.00 -0.52 0.00 0.00 52.55 52.13 1k9a s ASP 44 Cb 0.13 -1.94 2.19 0.00 -1.46 0.00 0.00 42.92 41.83 1k9a s ASP 44 CO 0.55 -0.07 2.23 -0.65 0.52 0.00 0.00 175.17 177.76 1k9a h PRO 45 N 8.26 0.00 0.00 4.34 0.11 -1.98 -1.53 132.00 141.20 1k9a h PRO 45 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1k9a h PRO 45 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1k9a h PRO 45 CO 0.58 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.46 1k9a n ASN 46 N -3.02 0.14 -4.14 -2.05 3.02 -1.26 -4.74 115.26 103.21 1k9a n ASN 46 Ca -0.03 0.52 -0.21 0.00 -0.03 0.00 0.00 54.58 54.83 1k9a n ASN 46 Cb 0.16 -0.55 -0.14 0.00 -0.61 0.00 0.00 39.78 38.64 1k9a n ASN 46 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1k9a s TRP 47 N -3.03 1.30 0.18 3.10 0.52 -0.58 -0.04 118.94 120.40 1k9a s TRP 47 Ca 0.11 -0.31 0.06 0.00 0.02 0.00 0.00 56.10 55.98 1k9a s TRP 47 Cb 0.16 -0.80 -0.05 0.00 -1.15 0.00 0.00 33.47 31.63 1k9a s TRP 47 CO 0.47 0.02 -0.11 0.71 0.02 0.00 0.00 176.95 178.07 1k9a s TYR 48 N -0.65 1.47 -0.09 -1.98 1.51 0.22 -1.91 117.35 115.92 1k9a s TYR 48 Ca 0.04 -0.71 -0.11 0.00 -1.01 0.00 0.00 57.07 55.28 1k9a s TYR 48 Cb -0.07 -0.73 -0.05 0.00 -0.11 0.00 0.00 41.96 41.00 1k9a s TYR 48 CO 0.01 0.17 0.25 0.21 -1.11 0.00 0.00 175.55 175.08 1k9a s LYS 49 N -3.72 3.76 0.27 -0.62 2.20 0.21 -0.88 119.74 120.95 1k9a s LYS 49 Ca 0.20 0.07 -0.15 0.00 -0.36 0.00 0.00 55.97 55.74 1k9a s LYS 49 Cb 0.02 -3.25 0.01 0.00 -1.51 0.00 0.00 37.83 33.10 1k9a s LYS 49 CO 0.04 0.65 0.58 0.00 -0.36 0.00 0.00 175.35 176.25 1k9a s ALA 50 N -0.75 -0.52 0.14 3.13 0.00 -0.24 -0.16 121.76 123.36 1k9a s ALA 50 Ca 0.18 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.49 1k9a s ALA 50 Cb -0.14 0.98 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1k9a s ALA 50 CO 0.07 -0.92 -0.19 0.15 0.00 0.00 0.00 175.76 174.86 1k9a s LYS 51 N -3.81 1.22 0.56 0.00 1.02 0.44 -1.58 119.74 117.60 1k9a s LYS 51 Ca 0.19 -1.31 0.07 0.00 0.02 0.00 0.00 55.97 54.94 1k9a s LYS 51 Cb -0.03 -1.37 0.07 0.00 -0.52 0.00 0.00 37.83 35.99 1k9a s LYS 51 CO 0.09 0.29 0.77 0.54 -0.92 0.00 0.00 175.35 176.12 1k9a s ASN 52 N -2.37 5.14 0.33 2.83 2.20 -0.47 -1.36 114.94 121.25 1k9a s ASN 52 Ca 0.12 -0.64 0.09 0.00 -0.94 0.00 0.00 52.86 51.49 1k9a s ASN 52 Cb -0.07 -0.03 0.81 0.00 -2.00 0.00 0.00 41.25 39.96 1k9a s ASN 52 CO 0.06 -1.26 1.80 0.07 -2.94 0.00 0.00 177.10 174.83 1k9a h LYS 53 N 0.19 0.67 0.00 3.55 2.10 -1.92 0.38 116.57 121.55 1k9a h LYS 53 Ca -0.34 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1k9a h LYS 53 Cb 1.28 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1k9a h LYS 53 CO 0.42 0.45 0.00 0.28 -2.00 0.00 0.00 179.45 178.60 1k9a n VAL 54 N -4.68 0.00 0.00 0.07 0.31 -1.26 -4.89 118.33 107.88 1k9a n VAL 54 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1k9a n VAL 54 Cb 0.59 -0.20 0.00 0.00 -0.91 0.00 0.00 33.84 33.31 1k9a n VAL 54 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k9a n GLY 55 N 0.56 3.12 3.65 2.92 0.00 0.13 -5.03 105.19 110.53 1k9a n GLY 55 Ca 0.07 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.64 1k9a n GLY 55 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1k9a n ARG 56 N -2.00 1.81 -4.16 1.61 0.63 -1.26 -4.48 116.66 108.82 1k9a n ARG 56 Ca 0.00 0.65 -0.27 0.00 -0.92 0.00 0.00 57.85 57.31 1k9a n ARG 56 Cb 0.00 -2.25 -0.07 0.00 0.45 0.00 0.00 32.46 30.59 1k9a n ARG 56 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1k9a s GLU 57 N -0.50 2.58 0.00 -0.14 2.12 -1.26 -1.37 118.70 120.14 1k9a s GLU 57 Ca 0.68 -1.00 0.00 0.00 0.36 0.00 0.00 54.97 55.02 1k9a s GLU 57 Cb -0.69 -2.47 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1k9a s GLU 57 CO 0.51 0.47 0.00 0.41 -0.54 0.00 0.00 175.26 176.12 1k9a n GLY 58 N -0.12 -0.42 3.83 -1.50 0.00 -0.61 -4.81 105.19 101.56 1k9a n GLY 58 Ca -0.09 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 1k9a n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k9a s ILE 59 N -2.00 4.72 0.04 -0.61 -1.09 0.04 -1.08 121.20 121.22 1k9a s ILE 59 Ca 0.00 1.04 -0.09 0.00 -2.23 0.00 0.00 60.65 59.37 1k9a s ILE 59 Cb 0.00 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.09 1k9a s ILE 59 CO 0.00 0.22 0.19 0.27 -1.23 0.00 0.00 174.94 174.39 1k9a s ILE 60 N -1.50 0.11 -0.11 2.92 -4.36 -0.06 0.50 121.20 118.70 1k9a s ILE 60 Ca 0.40 -0.91 -0.21 0.00 -0.26 0.00 0.00 60.65 59.67 1k9a s ILE 60 Cb -0.16 -0.92 -0.04 0.00 1.25 0.00 0.00 42.46 42.60 1k9a s ILE 60 CO 0.20 -0.50 0.62 -2.16 0.24 0.00 0.00 174.94 173.33 1k9a s PRO 61 N -2.61 4.37 0.41 0.37 0.04 -1.26 -0.61 135.00 135.71 1k9a s PRO 61 Ca -0.05 0.69 0.11 0.00 0.04 0.00 0.00 61.00 61.80 1k9a s PRO 61 Cb -0.01 -3.47 0.93 0.00 0.04 0.00 0.00 34.50 31.99 1k9a s PRO 61 CO -0.04 0.04 1.96 0.00 0.04 0.00 0.00 177.00 179.00 1k9a h ALA 62 N 6.87 1.91 0.00 8.56 0.00 -0.75 -0.20 119.26 135.66 1k9a h ALA 62 Ca -0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1k9a h ALA 62 Cb 1.18 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1k9a h ALA 62 CO 0.76 -0.04 -0.05 -0.97 0.00 0.00 0.00 179.25 178.94 1k9a h ASN 63 N 0.53 0.00 1.17 0.00 -0.73 -1.93 -2.55 115.58 112.08 1k9a h ASN 63 Ca 0.30 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.47 1k9a h ASN 63 Cb 0.47 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.06 1k9a h ASN 63 CO -0.09 0.05 -0.18 -1.22 -0.37 0.00 0.00 177.43 175.61 1k9a n TYR 64 N -4.37 0.60 -4.44 0.67 4.02 -0.09 -4.90 117.16 108.66 1k9a n TYR 64 Ca -0.03 0.18 -0.26 0.00 -0.01 0.00 0.00 57.90 57.78 1k9a n TYR 64 Cb 0.13 -0.74 -0.11 0.00 -0.02 0.00 0.00 39.34 38.60 1k9a n TYR 64 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1k9a s VAL 65 N -3.09 2.40 -0.18 -0.72 -7.23 -0.96 -0.78 120.40 109.84 1k9a s VAL 65 Ca 0.10 -2.13 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 1k9a s VAL 65 Cb 0.14 -2.18 0.01 0.00 0.56 0.00 0.00 36.38 34.91 1k9a s VAL 65 CO 0.62 -0.19 -0.16 -1.58 -0.31 0.00 0.00 175.10 173.47 1k9a s GLN 66 N -2.90 3.12 0.19 4.82 2.00 0.36 -4.90 119.66 122.35 1k9a s GLN 66 Ca 0.23 -0.78 -0.32 0.00 -2.00 0.00 0.00 55.36 52.50 1k9a s GLN 66 Cb -0.07 -2.64 -0.12 0.00 0.80 0.00 0.00 33.01 30.98 1k9a s GLN 66 CO 0.11 -0.13 1.76 1.17 -0.50 0.00 0.00 175.29 177.70 1k9a n LYS 67 N 4.44 2.81 -3.13 1.67 4.81 -1.26 0.24 118.16 127.73 1k9a n LYS 67 Ca -0.20 1.01 -0.39 0.00 -0.87 0.00 0.00 58.31 57.86 1k9a n LYS 67 Cb 0.51 -2.88 -0.05 0.00 0.02 0.00 0.00 35.03 32.63 1k9a n LYS 67 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1k9a s ARG 68 N 1.54 4.33 0.16 1.64 3.52 0.13 -3.89 118.95 126.38 1k9a s ARG 68 Ca 0.77 0.69 -0.09 0.00 -0.13 0.00 0.00 55.73 56.96 1k9a s ARG 68 Cb -0.49 -3.49 -0.01 0.00 -1.56 0.00 0.00 34.95 29.40 1k9a s ARG 68 CO 0.33 -0.02 0.28 -1.83 -0.81 0.00 0.00 175.30 173.25 1k9a s GLU 69 N 1.16 1.13 0.72 5.12 -1.05 -0.29 -4.71 118.70 120.78 1k9a s GLU 69 Ca 0.32 -1.14 -0.15 0.00 -0.15 0.00 0.00 54.97 53.85 1k9a s GLU 69 Cb -0.16 0.38 0.04 0.00 -0.44 0.00 0.00 34.13 33.94 1k9a s GLU 69 CO 0.13 -0.41 1.18 0.20 0.95 0.00 0.00 175.26 177.31 1k9a s GLY 70 N -2.95 2.26 -0.11 -3.83 0.00 -1.26 -4.79 107.32 96.63 1k9a s GLY 70 Ca 0.16 0.78 0.02 0.00 0.00 0.00 0.00 44.72 45.67 1k9a s GLY 70 CO -0.01 1.17 -0.17 0.14 0.00 0.00 0.00 173.10 174.23 1k9a s VAL 71 N -2.12 1.62 -0.31 1.40 1.01 -1.26 -5.01 120.40 115.73 1k9a s VAL 71 Ca 0.72 -0.72 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 1k9a s VAL 71 Cb -0.27 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 1k9a s VAL 71 CO 0.45 0.46 0.48 -0.54 0.00 0.00 0.00 175.10 175.96 1k9a s LYS 72 N 0.89 3.82 -0.83 2.72 3.01 -1.26 -4.54 119.74 123.55 1k9a s LYS 72 Ca -0.08 0.01 -0.18 0.00 -1.01 0.00 0.00 55.97 54.71 1k9a s LYS 72 Cb -0.15 -3.74 -0.13 0.00 -1.01 0.00 0.00 37.83 32.81 1k9a s LYS 72 CO -0.01 -0.49 1.98 0.00 0.51 0.00 0.00 175.35 177.34 1k9a n ALA 73 N 5.60 3.71 -0.34 5.17 0.00 -1.26 -4.87 120.51 128.52 1k9a n ALA 73 Ca -0.05 -3.05 -0.28 0.00 0.00 0.00 0.00 53.44 50.06 1k9a n ALA 73 Cb 0.49 -3.49 0.26 0.00 0.00 0.00 0.00 19.45 16.71 1k9a n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k9a n GLY 74 N 4.34 -3.31 0.01 0.00 0.00 -1.26 -4.85 105.19 100.12 1k9a n GLY 74 Ca 0.48 -1.44 0.15 0.00 0.00 0.00 0.00 46.02 45.22 1k9a n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1k9a n THR 75 N -5.42 0.00 0.71 2.61 5.66 -1.26 -3.01 114.28 113.57 1k9a n THR 75 Ca 0.10 -0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.16 1k9a n THR 75 Cb 0.55 -0.48 -0.08 0.00 -1.55 0.00 0.00 70.33 68.77 1k9a n THR 75 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1k9a n LYS 76 N -1.24 2.01 -2.29 1.09 0.00 -1.26 -4.96 118.16 111.51 1k9a n LYS 76 Ca 0.15 -0.01 -0.42 0.00 -0.00 0.00 0.00 58.31 58.03 1k9a n LYS 76 Cb 0.23 -1.21 -0.03 0.00 -0.00 0.00 0.00 35.03 34.02 1k9a n LYS 76 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1k9a s LEU 77 N -2.70 4.30 0.12 -5.58 2.96 -1.16 -1.53 118.68 115.09 1k9a s LEU 77 Ca 0.06 2.02 -0.15 0.00 -0.22 0.00 0.00 54.13 55.83 1k9a s LEU 77 Cb 0.11 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.28 1k9a s LEU 77 CO 0.62 -0.69 0.38 -0.55 -1.32 0.00 0.00 176.35 174.79 1k9a s SER 78 N 1.80 -0.20 0.00 3.68 0.15 0.21 -4.89 113.70 114.44 1k9a s SER 78 Ca 0.61 -0.34 0.14 0.00 0.70 0.00 0.00 55.95 57.07 1k9a s SER 78 Cb -0.29 0.46 0.20 0.00 -1.71 0.00 0.00 66.02 64.68 1k9a s SER 78 CO 0.25 -0.84 1.07 0.18 1.20 0.00 0.00 173.24 175.10 1k9a n LEU 79 N -0.19 2.51 -3.68 3.45 4.77 -1.26 -0.39 117.00 122.21 1k9a n LEU 79 Ca -0.16 -1.29 -0.29 0.00 -0.03 0.00 0.00 56.01 54.24 1k9a n LEU 79 Cb 0.63 -0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.51 1k9a n LEU 79 CO 0.18 0.52 -0.23 -0.04 -1.33 0.00 0.00 177.39 176.49 1k9a s MET 80 N -1.15 1.40 0.20 3.23 -1.94 -1.26 -4.98 119.30 114.79 1k9a s MET 80 Ca 0.21 -2.22 -0.17 0.00 -1.71 0.00 0.00 55.69 51.80 1k9a s MET 80 Cb 0.13 -2.34 0.18 0.00 2.01 0.00 0.00 34.83 34.81 1k9a s MET 80 CO 0.19 -1.22 1.61 -1.35 -0.01 0.00 0.00 175.02 174.24 1k9a h PRO 81 N 6.34 -0.08 0.00 2.03 0.11 -1.96 0.13 132.00 138.58 1k9a h PRO 81 Ca 0.06 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1k9a h PRO 81 Cb 0.90 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1k9a h PRO 81 CO 0.50 -0.05 0.00 -2.67 -0.21 0.00 0.00 178.00 175.56 1k9a n TRP 82 N -5.43 0.00 -3.48 0.65 4.27 -1.26 -1.92 117.44 110.27 1k9a n TRP 82 Ca 0.06 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.30 1k9a n TRP 82 Cb 0.33 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.22 1k9a n TRP 82 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1k9a s PHE 83 N -2.00 3.47 -0.15 -2.67 5.36 0.47 -1.01 117.98 121.44 1k9a s PHE 83 Ca 0.08 0.66 0.17 0.00 -0.96 0.00 0.00 56.93 56.88 1k9a s PHE 83 Cb 0.03 -2.40 0.35 0.00 -0.34 0.00 0.00 43.02 40.66 1k9a s PHE 83 CO 0.06 0.21 1.22 0.72 -1.46 0.00 0.00 175.22 175.97 1k9a n HIS 84 N 3.65 0.27 0.00 10.12 8.25 0.41 -4.67 115.22 133.26 1k9a n HIS 84 Ca -0.11 -0.94 0.00 0.00 -0.26 0.00 0.00 57.72 56.42 1k9a n HIS 84 Cb 0.52 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1k9a n HIS 84 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k9a n GLY 85 N -1.10 2.06 1.91 -1.41 0.00 -1.26 -2.84 105.19 102.55 1k9a n GLY 85 Ca 0.17 0.38 -0.16 0.00 0.00 0.00 0.00 46.02 46.41 1k9a n GLY 85 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k9a n LYS 86 N 3.54 2.21 -2.23 1.61 4.76 -1.26 0.10 118.16 126.90 1k9a n LYS 86 Ca 0.00 -2.34 -0.41 0.00 -2.87 0.00 0.00 58.31 52.69 1k9a n LYS 86 Cb 0.00 -1.93 -0.03 0.00 -1.84 0.00 0.00 35.03 31.23 1k9a n LYS 86 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1k9a s ILE 87 N -2.53 3.10 0.75 -0.18 1.01 -1.13 -4.95 121.20 117.28 1k9a s ILE 87 Ca 0.44 0.99 -0.11 0.00 0.00 0.00 0.00 60.65 61.97 1k9a s ILE 87 Cb 0.37 -3.63 0.04 0.00 0.01 0.00 0.00 42.46 39.25 1k9a s ILE 87 CO 0.09 0.19 1.08 -0.89 0.00 0.00 0.00 174.94 175.41 1k9a s THR 88 N -0.46 3.51 0.09 2.92 2.01 -1.26 -4.70 115.64 117.75 1k9a s THR 88 Ca 0.52 0.49 -0.34 0.00 0.31 0.00 0.00 61.69 62.68 1k9a s THR 88 Cb -0.37 -3.21 -0.15 0.00 0.01 0.00 0.00 72.50 68.78 1k9a s THR 88 CO 0.43 -0.64 1.58 0.03 -0.69 0.00 0.00 174.62 175.33 1k9a h ARG 89 N -0.94 -0.87 -0.54 4.92 -0.00 -1.97 -1.45 114.38 113.54 1k9a h ARG 89 Ca -0.45 0.06 0.11 0.00 -0.50 0.00 0.00 59.98 59.19 1k9a h ARG 89 Cb 1.24 0.20 -0.09 0.00 0.00 0.00 0.00 29.97 31.32 1k9a h ARG 89 CO 0.57 -0.58 -0.01 1.05 0.00 0.00 0.00 179.97 181.00 1k9a h GLU 90 N -0.90 0.10 -0.94 0.04 4.11 -1.99 -0.36 114.58 114.65 1k9a h GLU 90 Ca -0.04 -0.01 0.17 0.00 0.07 0.00 0.00 59.36 59.55 1k9a h GLU 90 Cb 0.80 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.92 1k9a h GLU 90 CO -0.07 0.07 0.53 1.96 0.07 0.00 0.00 179.01 181.57 1k9a h GLN 91 N 0.10 0.70 -0.62 1.06 4.20 -1.83 0.44 115.11 119.16 1k9a h GLN 91 Ca 0.28 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.85 1k9a h GLN 91 Cb 0.43 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 1k9a h GLN 91 CO -0.47 0.46 0.02 0.00 -0.67 0.00 0.00 178.83 178.17 1k9a h ALA 92 N 1.60 0.87 -0.89 3.87 0.00 -0.04 0.69 119.26 125.37 1k9a h ALA 92 Ca 0.52 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1k9a h ALA 92 Cb 0.76 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1k9a h ALA 92 CO -0.37 0.67 0.58 0.93 0.00 0.00 0.00 179.25 181.06 1k9a h GLU 93 N 0.98 1.15 0.03 0.00 4.39 0.82 0.94 114.58 122.88 1k9a h GLU 93 Ca 0.18 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1k9a h GLU 93 Cb 0.53 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1k9a h GLU 93 CO 0.03 0.76 -0.01 0.00 -1.16 0.00 0.00 179.01 178.62 1k9a h ARG 94 N 1.18 -0.04 -0.36 2.33 3.08 0.17 -2.45 114.38 118.30 1k9a h ARG 94 Ca 0.33 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.48 1k9a h ARG 94 Cb -0.11 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1k9a h ARG 94 CO -0.08 0.47 0.26 -0.07 -1.07 0.00 0.00 179.97 179.47 1k9a h LEU 95 N -0.56 0.02 -6.54 3.04 3.38 0.81 -2.59 115.31 112.88 1k9a h LEU 95 Ca -0.00 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.35 1k9a h LEU 95 Cb 0.52 -0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.86 1k9a h LEU 95 CO 0.01 0.01 -0.50 0.18 0.09 0.00 0.00 178.44 178.23 1k9a n LEU 96 N -4.44 3.71 -0.10 1.67 4.77 0.32 -4.89 117.00 118.05 1k9a n LEU 96 Ca 0.06 -5.36 -0.13 0.00 -0.03 0.00 0.00 56.01 50.54 1k9a n LEU 96 Cb 0.43 -0.74 -0.05 0.00 -2.33 0.00 0.00 43.42 40.72 1k9a n LEU 96 CO 0.36 1.93 -0.75 0.00 -1.33 0.00 0.00 177.39 177.60 1k9a n TYR 97 N 1.25 0.30 -1.98 -1.77 9.36 -0.94 -4.60 117.16 118.79 1k9a n TYR 97 Ca 0.27 0.13 -0.43 0.00 3.32 0.00 0.00 57.90 61.19 1k9a n TYR 97 Cb 0.39 -0.72 -0.03 0.00 -0.63 0.00 0.00 39.34 38.35 1k9a n TYR 97 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 1k9a s PRO 98 N -2.63 3.40 -0.49 2.98 0.02 -1.26 -4.86 135.00 132.16 1k9a s PRO 98 Ca -0.28 1.53 -0.38 0.00 0.02 0.00 0.00 61.00 61.90 1k9a s PRO 98 Cb 0.06 -4.19 -0.16 0.00 0.02 0.00 0.00 34.50 30.24 1k9a s PRO 98 CO 0.41 -1.77 2.24 -2.30 -0.33 0.00 0.00 177.00 175.25 1k9a n PRO 99 N 8.33 0.51 -3.99 5.54 -0.02 -1.26 -4.93 135.00 139.17 1k9a n PRO 99 Ca 0.23 0.12 -0.22 0.00 -2.02 0.00 0.00 63.50 61.61 1k9a n PRO 99 Cb 0.46 -2.00 -0.17 0.00 -0.02 0.00 0.00 33.50 31.77 1k9a n PRO 99 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1k9a s GLU 100 N 6.57 0.88 -0.14 -0.52 2.12 -1.26 -4.95 118.70 121.40 1k9a s GLU 100 Ca 1.16 -0.06 -0.29 0.00 0.36 0.00 0.00 54.97 56.14 1k9a s GLU 100 Cb -1.13 -1.02 -0.04 0.00 0.26 0.00 0.00 34.13 32.20 1k9a s GLU 100 CO 0.55 -0.19 1.64 0.99 -0.54 0.00 0.00 175.26 177.70 1k9a s THR 101 N 1.42 3.65 0.00 -1.70 2.01 -1.25 -2.62 115.64 117.16 1k9a s THR 101 Ca -0.03 0.76 0.00 0.00 0.31 0.00 0.00 61.69 62.73 1k9a s THR 101 Cb -0.13 -3.58 0.00 0.00 0.01 0.00 0.00 72.50 68.80 1k9a s THR 101 CO -0.03 -0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.34 1k9a n GLY 102 N 4.39 0.74 3.60 4.40 0.00 -0.93 -4.73 105.19 112.67 1k9a n GLY 102 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1k9a n GLY 102 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k9a s LEU 103 N 0.00 3.94 0.34 0.99 2.96 -1.08 -0.01 118.68 125.83 1k9a s LEU 103 Ca 0.00 0.56 0.04 0.00 -0.22 0.00 0.00 54.13 54.50 1k9a s LEU 103 Cb 0.00 -3.33 -0.05 0.00 0.50 0.00 0.00 46.19 43.31 1k9a s LEU 103 CO 0.00 -0.94 0.07 0.72 -1.32 0.00 0.00 176.35 174.88 1k9a s PHE 104 N 3.67 1.92 -0.27 5.38 -0.12 -0.45 -1.96 117.98 126.15 1k9a s PHE 104 Ca 0.40 -1.02 -0.25 0.00 -0.05 0.00 0.00 56.93 56.00 1k9a s PHE 104 Cb -0.11 -1.26 0.12 0.00 -0.63 0.00 0.00 43.02 41.13 1k9a s PHE 104 CO 0.21 -0.05 1.00 -0.48 -0.05 0.00 0.00 175.22 175.85 1k9a s LEU 105 N -3.52 -0.48 -0.01 -1.99 0.05 -0.57 -1.15 118.68 111.03 1k9a s LEU 105 Ca 0.33 0.90 -0.01 0.00 0.05 0.00 0.00 54.13 55.40 1k9a s LEU 105 Cb 0.07 1.95 -0.04 0.00 -2.05 0.00 0.00 46.19 46.12 1k9a s LEU 105 CO 0.15 -0.18 0.10 -0.69 -0.55 0.00 0.00 176.35 175.19 1k9a s VAL 106 N 0.15 4.87 0.18 1.48 1.01 -0.18 -1.70 120.40 126.22 1k9a s VAL 106 Ca 0.02 -0.36 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 1k9a s VAL 106 Cb -0.05 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.07 1k9a s VAL 106 CO -0.05 0.35 0.25 0.00 0.00 0.00 0.00 175.10 175.65 1k9a s ARG 107 N -1.77 1.21 1.09 2.72 1.70 -0.89 -0.44 118.95 122.56 1k9a s ARG 107 Ca 0.24 -1.34 -0.17 0.00 -0.47 0.00 0.00 55.73 53.98 1k9a s ARG 107 Cb -0.12 0.35 0.24 0.00 -0.57 0.00 0.00 34.95 34.85 1k9a s ARG 107 CO 0.15 -0.43 1.19 -2.00 -1.08 0.00 0.00 175.30 173.12 1k9a s GLU 108 N -4.04 -0.35 -0.32 3.89 2.12 0.29 -0.94 118.70 119.35 1k9a s GLU 108 Ca 0.24 -0.15 -0.10 0.00 0.36 0.00 0.00 54.97 55.32 1k9a s GLU 108 Cb 0.04 -1.71 -0.01 0.00 0.26 0.00 0.00 34.13 32.72 1k9a s GLU 108 CO 0.05 -3.12 0.16 0.45 -0.54 0.00 0.00 175.26 172.26 1k9a s SER 109 N -4.25 5.60 -0.09 -1.70 0.15 -0.16 -4.17 113.70 109.08 1k9a s SER 109 Ca 0.71 -0.54 -0.19 0.00 0.70 0.00 0.00 55.95 56.64 1k9a s SER 109 Cb -0.08 -2.01 -0.15 0.00 -1.71 0.00 0.00 66.02 62.06 1k9a s SER 109 CO 0.55 -0.21 0.62 0.74 1.20 0.00 0.00 173.24 176.14 1k9a h THR 110 N 5.66 0.97 -0.04 6.45 2.02 -1.90 -3.29 112.91 122.78 1k9a h THR 110 Ca -0.32 -1.52 0.02 0.00 0.77 0.00 0.00 66.41 65.36 1k9a h THR 110 Cb 1.14 1.76 -0.04 0.00 -1.74 0.00 0.00 68.15 69.28 1k9a h THR 110 CO 0.62 0.30 -0.35 -0.55 0.37 0.00 0.00 175.52 175.91 1k9a h ASN 111 N -0.94 -1.09 -3.45 4.18 7.08 -1.99 -3.36 115.58 116.01 1k9a h ASN 111 Ca -0.01 0.13 -0.70 0.00 -3.08 0.00 0.00 56.30 52.63 1k9a h ASN 111 Cb 0.56 0.42 -0.33 0.00 -2.08 0.00 0.00 38.32 36.89 1k9a h ASN 111 CO 0.01 -0.33 -0.51 -0.31 -2.08 0.00 0.00 177.43 174.22 1k9a s TYR 112 N -4.76 3.51 0.28 4.14 1.51 -1.26 -5.09 117.35 115.69 1k9a s TYR 112 Ca -0.10 -2.17 -0.29 0.00 -1.01 0.00 0.00 57.07 53.49 1k9a s TYR 112 Cb 0.04 -3.22 -0.13 0.00 -0.11 0.00 0.00 41.96 38.54 1k9a s TYR 112 CO 0.39 -0.96 1.20 -2.30 -1.11 0.00 0.00 175.55 172.78 1k9a n PRO 113 N 4.70 1.74 0.00 -1.71 -0.02 -1.24 -2.72 135.00 135.75 1k9a n PRO 113 Ca -0.05 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1k9a n PRO 113 Cb 0.41 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1k9a n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k9a n GLY 114 N 1.35 3.09 0.40 -1.23 0.00 -1.26 -5.00 105.19 102.53 1k9a n GLY 114 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.09 1k9a n GLY 114 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1k9a n ASP 115 N 0.16 0.34 -3.90 1.61 8.00 -1.10 -4.72 116.55 116.93 1k9a n ASP 115 Ca 0.00 -1.16 -0.25 0.00 0.71 0.00 0.00 54.79 54.09 1k9a n ASP 115 Cb 0.00 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.00 1k9a n ASP 115 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1k9a n TYR 116 N -1.06 0.47 -3.78 1.24 4.02 -0.63 -0.99 117.16 116.43 1k9a n TYR 116 Ca 0.01 -2.30 -0.13 0.00 -0.01 0.00 0.00 57.90 55.48 1k9a n TYR 116 Cb 0.06 -0.11 -0.12 0.00 -0.02 0.00 0.00 39.34 39.15 1k9a n TYR 116 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1k9a s THR 117 N -2.81 -0.01 -0.17 -0.72 2.01 -0.12 -0.93 115.64 112.89 1k9a s THR 117 Ca 0.12 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.09 1k9a s THR 117 Cb 0.01 -0.35 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 1k9a s THR 117 CO 0.08 0.01 0.03 -0.22 -0.69 0.00 0.00 174.62 173.84 1k9a s LEU 118 N 0.39 3.64 -0.15 4.42 0.20 0.22 -2.10 118.68 125.30 1k9a s LEU 118 Ca -0.02 0.02 0.02 0.00 0.69 0.00 0.00 54.13 54.84 1k9a s LEU 118 Cb -0.04 -1.91 0.01 0.00 -0.43 0.00 0.00 46.19 43.83 1k9a s LEU 118 CO -0.02 0.18 -0.21 0.00 -0.29 0.00 0.00 176.35 176.01 1k9a s VAL 120 N 0.98 1.69 -0.40 0.00 1.01 -0.13 -1.50 120.40 122.04 1k9a s VAL 120 Ca -0.03 -1.93 -0.07 0.00 0.00 0.00 0.00 61.98 59.95 1k9a s VAL 120 Cb -0.15 -1.81 0.08 0.00 0.00 0.00 0.00 36.38 34.50 1k9a s VAL 120 CO -0.06 -0.39 0.21 -0.55 0.00 0.00 0.00 175.10 174.31 1k9a s SER 121 N -2.74 5.47 0.00 3.32 0.15 -0.83 -0.27 113.70 118.79 1k9a s SER 121 Ca 0.15 -1.56 0.00 0.00 0.70 0.00 0.00 55.95 55.24 1k9a s SER 121 Cb -0.05 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 1k9a s SER 121 CO 0.06 -0.50 0.00 0.00 1.20 0.00 0.00 173.24 174.00 1k9a s GLU 123 N 0.00 1.28 0.00 0.00 2.02 -1.26 -4.44 118.70 116.31 1k9a s GLU 123 Ca 0.00 -1.93 0.00 0.00 0.02 0.00 0.00 54.97 53.06 1k9a s GLU 123 Cb 0.00 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.80 1k9a s GLU 123 CO 0.00 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 174.57 1k9a n GLY 124 N 3.73 0.18 3.34 -1.39 0.00 -1.26 -4.89 105.19 104.90 1k9a n GLY 124 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 1k9a n GLY 124 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1k9a s LYS 125 N -0.71 1.32 -0.30 1.61 2.20 -1.26 -4.97 119.74 117.64 1k9a s LYS 125 Ca 0.00 -1.54 0.03 0.00 -0.36 0.00 0.00 55.97 54.11 1k9a s LYS 125 Cb 0.00 -1.20 0.08 0.00 -1.51 0.00 0.00 37.83 35.20 1k9a s LYS 125 CO 0.00 0.21 -0.03 0.08 -0.36 0.00 0.00 175.35 175.25 1k9a s VAL 126 N -2.66 2.25 0.27 4.02 1.01 -1.26 0.13 120.40 124.15 1k9a s VAL 126 Ca 0.20 -1.95 -0.29 0.00 0.00 0.00 0.00 61.98 59.94 1k9a s VAL 126 Cb -0.02 -2.48 -0.09 0.00 0.00 0.00 0.00 36.38 33.78 1k9a s VAL 126 CO 0.07 -0.29 1.03 -1.61 0.00 0.00 0.00 175.10 174.30 1k9a s GLU 127 N 1.02 4.70 -0.30 2.72 0.41 0.62 -4.82 118.70 123.05 1k9a s GLU 127 Ca -0.00 1.65 0.02 0.00 -0.41 0.00 0.00 54.97 56.24 1k9a s GLU 127 Cb -0.20 -3.18 0.07 0.00 -1.78 0.00 0.00 34.13 29.05 1k9a s GLU 127 CO -0.06 0.32 -0.02 -1.01 -0.49 0.00 0.00 175.26 173.99 1k9a s HIS 128 N -1.21 3.44 -0.18 1.61 3.76 -1.26 -0.95 115.29 120.50 1k9a s HIS 128 Ca 0.44 -2.48 -0.09 0.00 -0.15 0.00 0.00 55.06 52.78 1k9a s HIS 128 Cb -0.29 -2.35 -0.05 0.00 1.11 0.00 0.00 32.58 31.00 1k9a s HIS 128 CO 0.36 -0.90 0.12 0.71 -0.85 0.00 0.00 174.74 174.19 1k9a s TYR 129 N 1.06 3.41 0.02 1.40 1.51 0.11 -4.91 117.35 119.95 1k9a s TYR 129 Ca -0.01 0.31 -0.30 0.00 -1.01 0.00 0.00 57.07 56.06 1k9a s TYR 129 Cb -0.20 -2.11 -0.04 0.00 -0.11 0.00 0.00 41.96 39.50 1k9a s TYR 129 CO -0.05 0.33 1.03 0.50 -1.11 0.00 0.00 175.55 176.25 1k9a s ARG 130 N 0.16 4.54 -0.35 -0.62 3.52 -1.26 0.70 118.95 125.63 1k9a s ARG 130 Ca 0.08 1.50 -0.09 0.00 -0.13 0.00 0.00 55.73 57.09 1k9a s ARG 130 Cb -0.11 -3.43 0.02 0.00 -1.56 0.00 0.00 34.95 29.87 1k9a s ARG 130 CO -0.01 -0.08 0.16 0.42 -0.81 0.00 0.00 175.30 174.99 1k9a s ILE 131 N 0.96 4.37 0.22 4.11 1.01 -0.11 -4.54 121.20 127.22 1k9a s ILE 131 Ca 0.53 -0.81 -0.27 0.00 0.00 0.00 0.00 60.65 60.10 1k9a s ILE 131 Cb -0.23 -3.39 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 1k9a s ILE 131 CO 0.28 -0.13 0.87 -0.04 0.00 0.00 0.00 174.94 175.92 1k9a s MET 132 N 1.53 4.69 -0.26 2.79 -1.94 -0.39 -1.61 119.30 124.11 1k9a s MET 132 Ca 0.02 1.31 0.01 0.00 -1.71 0.00 0.00 55.69 55.32 1k9a s MET 132 Cb -0.19 -3.20 0.05 0.00 2.01 0.00 0.00 34.83 33.50 1k9a s MET 132 CO 0.05 0.51 -0.08 -0.47 -0.01 0.00 0.00 175.02 175.02 1k9a s TYR 133 N -1.24 3.17 -0.07 -0.03 5.04 -1.26 -2.01 117.35 120.95 1k9a s TYR 133 Ca 0.40 -1.98 -0.12 0.00 -2.44 0.00 0.00 57.07 52.94 1k9a s TYR 133 Cb -0.24 -2.00 0.03 0.00 0.35 0.00 0.00 41.96 40.10 1k9a s TYR 133 CO 0.28 -0.82 0.30 -1.58 -1.34 0.00 0.00 175.55 172.39 1k9a s HIS 134 N 1.21 -0.26 -1.15 4.97 5.65 -0.83 -4.88 115.29 120.00 1k9a s HIS 134 Ca -0.05 0.56 -0.07 0.00 0.25 0.00 0.00 55.06 55.76 1k9a s HIS 134 Cb -0.18 0.10 0.05 0.00 -1.18 0.00 0.00 32.58 31.37 1k9a s HIS 134 CO -0.05 -0.25 0.34 0.00 -0.65 0.00 0.00 174.74 174.12 1k9a n ALA 135 N 2.22 -0.99 -1.17 1.58 0.00 -1.26 -0.58 120.51 120.31 1k9a n ALA 135 Ca -0.17 0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.29 1k9a n ALA 135 Cb 0.57 -2.31 -0.03 0.00 0.00 0.00 0.00 19.45 17.69 1k9a n ALA 135 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k9a n SER 136 N -2.12 -4.42 -4.36 0.00 7.64 -1.26 -5.01 113.62 104.09 1k9a n SER 136 Ca -0.04 0.15 -0.23 0.00 1.01 0.00 0.00 58.87 59.75 1k9a n SER 136 Cb 0.55 -2.44 -0.11 0.00 -1.01 0.00 0.00 64.21 61.20 1k9a n SER 136 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1k9a s LYS 137 N -2.06 1.34 -0.02 1.43 -0.14 0.26 -4.46 119.74 116.08 1k9a s LYS 137 Ca 0.00 -1.43 0.01 0.00 -1.36 0.00 0.00 55.97 53.19 1k9a s LYS 137 Cb 0.00 -1.47 -0.03 0.00 -1.68 0.00 0.00 37.83 34.65 1k9a s LYS 137 CO 0.00 0.31 -0.03 -0.51 -0.76 0.00 0.00 175.35 174.36 1k9a s LEU 138 N -2.65 3.38 -0.26 3.17 1.02 0.47 -1.96 118.68 121.85 1k9a s LEU 138 Ca 0.17 -0.02 -0.26 0.00 0.02 0.00 0.00 54.13 54.04 1k9a s LEU 138 Cb -0.06 -1.88 0.11 0.00 0.02 0.00 0.00 46.19 44.37 1k9a s LEU 138 CO 0.07 0.31 0.93 -0.55 0.02 0.00 0.00 176.35 177.13 1k9a s SER 139 N -1.30 -0.54 -0.23 2.29 0.15 -0.85 -0.02 113.70 113.19 1k9a s SER 139 Ca 0.17 1.00 -0.08 0.00 0.70 0.00 0.00 55.95 57.74 1k9a s SER 139 Cb -0.11 1.00 -0.11 0.00 -1.71 0.00 0.00 66.02 65.08 1k9a s SER 139 CO 0.07 -0.21 -0.27 -0.38 1.20 0.00 0.00 173.24 173.64 1k9a n ILE 140 N 2.20 1.29 1.20 6.45 5.41 -1.26 -1.27 119.36 133.39 1k9a n ILE 140 Ca -0.13 -0.38 0.13 0.00 1.00 0.00 0.00 62.75 63.37 1k9a n ILE 140 Cb 0.56 -1.67 0.27 0.00 -0.71 0.00 0.00 39.64 38.09 1k9a n ILE 140 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1k9a n ASP 141 N -3.80 2.33 -2.59 4.38 5.75 -1.26 -4.92 116.55 116.43 1k9a n ASP 141 Ca -0.45 -1.76 -0.19 0.00 -0.01 0.00 0.00 54.79 52.38 1k9a n ASP 141 Cb 0.86 0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.97 1k9a n ASP 141 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1k9a n GLU 142 N 0.79 -2.56 0.00 0.11 1.02 -1.26 -4.75 120.64 113.99 1k9a n GLU 142 Ca 0.16 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 58.14 1k9a n GLU 142 Cb 0.49 -5.53 0.00 0.00 -0.02 0.00 0.00 31.44 26.38 1k9a n GLU 142 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1k9a n GLU 143 N -3.20 0.03 -4.80 3.49 1.02 -1.26 -5.01 120.64 110.90 1k9a n GLU 143 Ca -0.18 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.63 1k9a n GLU 143 Cb 0.64 -0.84 -0.14 0.00 -0.02 0.00 0.00 31.44 31.09 1k9a n GLU 143 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1k9a s VAL 144 N -1.67 3.01 0.35 2.62 1.01 -1.26 -5.12 120.40 119.34 1k9a s VAL 144 Ca 0.00 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.38 1k9a s VAL 144 Cb 0.00 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.07 1k9a s VAL 144 CO 0.00 0.53 0.06 -0.31 0.00 0.00 0.00 175.10 175.38 1k9a s TYR 145 N 0.28 2.59 0.06 5.22 1.51 -1.26 -4.41 117.35 121.34 1k9a s TYR 145 Ca -0.10 -0.46 -0.05 0.00 -1.01 0.00 0.00 57.07 55.46 1k9a s TYR 145 Cb -0.16 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.08 1k9a s TYR 145 CO 0.06 0.41 0.08 -0.06 -1.11 0.00 0.00 175.55 174.92 1k9a s PHE 146 N -2.52 0.31 -0.01 2.71 0.40 0.97 -4.90 117.98 114.94 1k9a s PHE 146 Ca 0.36 -0.76 -0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1k9a s PHE 146 Cb 0.00 -0.21 -0.27 0.00 0.51 0.00 0.00 43.02 43.06 1k9a s PHE 146 CO 0.20 -0.44 0.81 0.93 0.70 0.00 0.00 175.22 177.43 1k9a h GLU 147 N 3.13 0.22 -4.02 0.44 4.39 -1.87 0.14 114.58 117.00 1k9a h GLU 147 Ca -0.34 -0.37 -0.11 0.00 0.34 0.00 0.00 59.36 58.88 1k9a h GLU 147 Cb 1.17 0.14 -0.14 0.00 -0.10 0.00 0.00 28.75 29.82 1k9a h GLU 147 CO 0.59 1.06 -0.46 0.54 -1.16 0.00 0.00 179.01 179.57 1k9a s ASN 148 N -6.88 0.20 0.64 1.42 4.22 -1.26 -3.89 114.94 109.38 1k9a s ASN 148 Ca -0.09 -0.87 0.41 0.00 -2.14 0.00 0.00 52.86 50.16 1k9a s ASN 148 Cb 0.07 0.33 2.22 0.00 1.28 0.00 0.00 41.25 45.16 1k9a s ASN 148 CO 0.84 -0.75 2.32 -0.07 -2.04 0.00 0.00 177.10 177.40 1k9a h LEU 149 N 2.78 0.00 -0.39 3.54 3.38 -1.58 -1.95 115.31 121.10 1k9a h LEU 149 Ca -0.34 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.45 1k9a h LEU 149 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1k9a h LEU 149 CO 0.56 0.00 -0.65 0.24 0.09 0.00 0.00 178.44 178.69 1k9a h MET 150 N 0.00 0.59 -0.19 1.13 2.86 -1.90 -2.15 114.93 115.28 1k9a h MET 150 Ca -0.00 -0.42 -0.19 0.00 -2.06 0.00 0.00 59.70 57.02 1k9a h MET 150 Cb 0.04 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1k9a h MET 150 CO 0.00 1.04 -0.66 1.96 1.06 0.00 0.00 176.91 180.31 1k9a h GLN 151 N 0.43 0.71 -0.95 1.72 4.20 -1.31 -1.75 115.11 118.17 1k9a h GLN 151 Ca -0.01 -0.51 0.02 0.00 0.06 0.00 0.00 58.65 58.20 1k9a h GLN 151 Cb 1.22 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 29.04 1k9a h GLN 151 CO 0.12 1.13 0.62 1.25 -0.67 0.00 0.00 178.83 181.29 1k9a h LEU 152 N 0.51 1.07 -0.78 1.46 6.46 -1.45 -1.20 115.31 121.39 1k9a h LEU 152 Ca -0.02 -0.02 -0.13 0.00 -0.12 0.00 0.00 57.88 57.59 1k9a h LEU 152 Cb 1.26 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.92 1k9a h LEU 152 CO 0.13 0.76 -0.57 0.58 -0.62 0.00 0.00 178.44 178.72 1k9a h VAL 153 N 1.26 1.39 -0.12 1.05 2.07 -1.23 -2.13 116.25 118.54 1k9a h VAL 153 Ca 0.36 -1.93 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 1k9a h VAL 153 Cb -0.10 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1k9a h VAL 153 CO -0.09 0.56 0.06 -0.08 0.02 0.00 0.00 177.57 178.04 1k9a h GLU 154 N 0.09 0.18 0.33 1.57 4.57 -0.51 -1.91 114.58 118.90 1k9a h GLU 154 Ca -0.00 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1k9a h GLU 154 Cb 1.03 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 1k9a h GLU 154 CO 0.08 0.23 -0.29 1.25 -1.18 0.00 0.00 179.01 179.10 1k9a h HIS 155 N 0.08 -0.81 0.00 0.92 2.76 -1.06 -1.92 115.15 115.12 1k9a h HIS 155 Ca 0.04 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1k9a h HIS 155 Cb 0.11 0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.38 1k9a h HIS 155 CO -0.03 -0.40 0.00 0.66 -1.30 0.00 0.00 177.93 176.86 1k9a n TYR 156 N -4.16 0.00 -0.01 5.26 4.02 -0.82 -1.32 117.16 120.13 1k9a n TYR 156 Ca -0.07 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.73 1k9a n TYR 156 Cb 0.28 -0.35 -0.14 0.00 -0.02 0.00 0.00 39.34 39.11 1k9a n TYR 156 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1k9a h THR 157 N 0.00 0.94 0.00 -0.72 2.02 -1.03 -1.06 112.91 113.05 1k9a h THR 157 Ca 0.00 -2.78 -0.10 0.00 0.77 0.00 0.00 66.41 64.30 1k9a h THR 157 Cb 0.14 2.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 1k9a h THR 157 CO 0.00 0.54 -0.49 0.74 0.37 0.00 0.00 175.52 176.68 1k9a h THR 158 N 0.00 0.96 -1.85 3.16 2.02 -0.40 -3.40 112.91 113.39 1k9a h THR 158 Ca -0.26 -1.98 0.04 0.00 0.77 0.00 0.00 66.41 64.97 1k9a h THR 158 Cb 1.99 2.22 -0.20 0.00 -1.74 0.00 0.00 68.15 70.41 1k9a h THR 158 CO 0.08 0.48 0.41 -0.62 0.37 0.00 0.00 175.52 176.24 1k9a s ASP 159 N -6.47 -0.47 0.38 4.18 2.15 -0.92 -5.03 116.67 110.48 1k9a s ASP 159 Ca 0.02 0.43 0.17 0.00 0.43 0.00 0.00 52.55 53.60 1k9a s ASP 159 Cb 0.10 0.40 0.75 0.00 -0.30 0.00 0.00 42.92 43.87 1k9a s ASP 159 CO 0.72 -0.49 1.79 0.00 -0.17 0.00 0.00 175.17 177.02 1k9a h ALA 160 N 2.60 1.15 -6.23 3.66 0.00 -1.83 -3.35 119.26 115.27 1k9a h ALA 160 Ca -0.22 -0.34 -0.47 0.00 0.00 0.00 0.00 54.91 53.87 1k9a h ALA 160 Cb 1.17 -0.06 -0.28 0.00 0.00 0.00 0.00 17.79 18.62 1k9a h ALA 160 CO 0.34 0.47 -0.69 -3.47 0.00 0.00 0.00 179.25 175.89 1k9a n ASP 161 N -3.76 -1.13 0.00 0.00 2.03 -1.26 0.54 116.55 112.98 1k9a n ASP 161 Ca -0.01 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.35 1k9a n ASP 161 Cb 0.45 -1.21 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 1k9a n ASP 161 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k9a n GLY 162 N -1.08 1.03 3.80 0.27 0.00 -1.26 -5.05 105.19 102.90 1k9a n GLY 162 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1k9a n GLY 162 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k9a s LEU 163 N 0.00 3.20 0.56 0.99 1.43 0.19 -4.89 118.68 120.16 1k9a s LEU 163 Ca 0.00 1.74 0.36 0.00 -1.03 0.00 0.00 54.13 55.20 1k9a s LEU 163 Cb 0.00 -4.51 1.96 0.00 0.03 0.00 0.00 46.19 43.66 1k9a s LEU 163 CO 0.00 -1.56 2.10 0.00 0.23 0.00 0.00 176.35 177.12 1k9a s THR 165 N -3.95 0.00 0.57 0.00 -1.32 -1.26 -4.98 115.64 104.70 1k9a s THR 165 Ca -0.04 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.33 1k9a s THR 165 Cb 0.10 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 70.05 1k9a s THR 165 CO 0.33 0.00 0.98 0.00 -2.21 0.00 0.00 174.62 173.71 1k9a s ARG 166 N -2.94 3.65 0.07 7.08 1.70 -1.26 -4.66 118.95 122.58 1k9a s ARG 166 Ca 0.05 0.68 -0.27 0.00 -0.47 0.00 0.00 55.73 55.73 1k9a s ARG 166 Cb -0.01 -2.15 -0.06 0.00 -0.57 0.00 0.00 34.95 32.17 1k9a s ARG 166 CO -0.08 -0.45 0.85 -0.51 -1.08 0.00 0.00 175.30 174.03 1k9a s LEU 167 N -4.90 4.47 0.06 -1.89 1.43 -0.40 -4.24 118.68 113.21 1k9a s LEU 167 Ca 0.54 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1k9a s LEU 167 Cb -0.11 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1k9a s LEU 167 CO 0.48 -0.02 0.00 -0.38 0.23 0.00 0.00 176.35 176.66 1k9a n ILE 168 N 2.83 0.43 -4.86 -0.59 5.41 0.98 -4.47 119.36 119.10 1k9a n ILE 168 Ca -0.00 0.14 -0.31 0.00 1.00 0.00 0.00 62.75 63.58 1k9a n ILE 168 Cb 0.50 -1.33 -0.17 0.00 -0.71 0.00 0.00 39.64 37.93 1k9a n ILE 168 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1k9a s LYS 169 N -2.00 2.77 0.38 0.38 1.02 0.15 -4.99 119.74 117.45 1k9a s LYS 169 Ca 0.00 -0.77 -0.25 0.00 0.02 0.00 0.00 55.97 54.96 1k9a s LYS 169 Cb 0.00 -2.19 -0.09 0.00 -0.52 0.00 0.00 37.83 35.03 1k9a s LYS 169 CO 0.00 0.06 1.08 -2.14 -0.92 0.00 0.00 175.35 173.43 1k9a s PRO 170 N 0.63 4.23 -0.97 -1.68 0.02 -1.26 -1.34 135.00 134.63 1k9a s PRO 170 Ca -0.13 1.63 -0.11 0.00 0.02 0.00 0.00 61.00 62.41 1k9a s PRO 170 Cb -0.16 -2.69 0.25 0.00 0.02 0.00 0.00 34.50 31.92 1k9a s PRO 170 CO 0.03 -0.11 0.93 0.21 -0.33 0.00 0.00 177.00 177.74 1k9a s LYS 171 N -2.26 3.88 -0.35 5.54 2.47 -0.30 -4.85 119.74 123.88 1k9a s LYS 171 Ca 0.55 -2.86 -0.32 0.00 -1.56 0.00 0.00 55.97 51.78 1k9a s LYS 171 Cb -0.25 -4.48 -0.10 0.00 -1.46 0.00 0.00 37.83 31.54 1k9a s LYS 171 CO 0.32 -1.26 2.24 0.28 0.16 0.00 0.00 175.35 177.08 1k9a n VAL 172 N 3.30 0.20 -1.14 4.02 0.31 -1.26 -4.48 118.33 119.28 1k9a n VAL 172 Ca 0.19 -0.35 -0.34 0.00 -0.01 0.00 0.00 64.34 63.83 1k9a n VAL 172 Cb 0.43 -1.94 0.12 0.00 -0.91 0.00 0.00 33.84 31.54 1k9a n VAL 172 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1k9a n MET 173 N 8.43 0.24 -3.21 5.55 1.56 -0.81 -4.97 117.12 123.92 1k9a n MET 173 Ca 0.39 0.16 -0.35 0.00 -0.27 0.00 0.00 57.70 57.63 1k9a n MET 173 Cb 0.31 -2.44 -0.06 0.00 2.15 0.00 0.00 33.22 33.18 1k9a n MET 173 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1k9a s GLU 174 N -4.05 4.09 0.00 2.12 2.02 -1.26 -3.83 118.70 117.79 1k9a s GLU 174 Ca 0.74 0.67 0.00 0.00 0.02 0.00 0.00 54.97 56.40 1k9a s GLU 174 Cb -0.30 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.14 1k9a s GLU 174 CO 0.50 0.37 0.00 0.41 0.02 0.00 0.00 175.26 176.56 1k9a n GLY 175 N 0.48 1.48 3.76 -1.39 0.00 -1.26 -5.01 105.19 103.24 1k9a n GLY 175 Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1k9a n GLY 175 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k9a s THR 176 N -2.83 2.57 -0.28 2.61 2.01 -1.25 -4.82 115.64 113.65 1k9a s THR 176 Ca 0.00 0.53 0.01 0.00 0.31 0.00 0.00 61.69 62.54 1k9a s THR 176 Cb 0.00 -3.34 0.06 0.00 0.01 0.00 0.00 72.50 69.23 1k9a s THR 176 CO 0.00 0.11 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.29 1k9a s VAL 177 N -0.60 2.48 -0.44 3.82 1.01 -0.58 -4.99 120.40 121.09 1k9a s VAL 177 Ca 0.54 -1.61 -0.27 0.00 0.00 0.00 0.00 61.98 60.64 1k9a s VAL 177 Cb -0.42 -2.48 -0.07 0.00 0.00 0.00 0.00 36.38 33.41 1k9a s VAL 177 CO 0.50 -0.11 2.38 0.00 0.00 0.00 0.00 175.10 177.87 1k9a n ALA 178 N 4.49 0.99 0.27 5.51 0.00 -1.25 -0.62 120.51 129.88 1k9a n ALA 178 Ca -0.12 -0.78 0.10 0.00 0.00 0.00 0.00 53.44 52.64 1k9a n ALA 178 Cb 0.42 -3.13 0.72 0.00 0.00 0.00 0.00 19.45 17.47 1k9a n ALA 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k9a h ALA 179 N 18.46 1.87 -0.42 0.00 0.00 -1.09 -1.91 119.26 136.17 1k9a h ALA 179 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1k9a h ALA 179 Cb 1.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1k9a h ALA 179 CO 1.12 -0.01 0.28 -0.56 0.00 0.00 0.00 179.25 180.08 1k9a h GLN 180 N 0.00 0.56 0.00 0.00 -0.00 -1.87 -0.24 115.11 113.56 1k9a h GLN 180 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1k9a h GLN 180 Cb 0.02 -0.13 0.00 0.00 -0.00 0.00 0.00 27.48 27.37 1k9a h GLN 180 CO -0.00 0.37 -0.22 -0.40 -0.00 0.00 0.00 178.83 178.58 1k9a n ASP 181 N -4.79 0.79 0.11 0.06 5.68 -0.93 -2.10 116.55 115.37 1k9a n ASP 181 Ca 0.01 0.42 -0.12 0.00 -0.50 0.00 0.00 54.79 54.60 1k9a n ASP 181 Cb 0.02 -0.47 -0.08 0.00 -1.14 0.00 0.00 41.12 39.45 1k9a n ASP 181 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1k9a h GLU 182 N 0.00 -0.31 0.00 0.11 4.39 -0.59 0.51 114.58 118.69 1k9a h GLU 182 Ca 0.00 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1k9a h GLU 182 Cb 0.75 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1k9a h GLU 182 CO 0.00 0.05 -0.17 0.74 -1.16 0.00 0.00 179.01 178.47 1k9a h PHE 183 N -0.78 0.00 0.02 4.33 -1.00 -1.13 -1.90 116.94 116.48 1k9a h PHE 183 Ca -0.03 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.75 1k9a h PHE 183 Cb 0.51 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.07 1k9a h PHE 183 CO 0.05 0.17 -0.01 -0.92 -1.61 0.00 0.00 178.31 175.98 1k9a h TYR 184 N 0.00 -0.03 0.00 -0.55 3.20 -1.25 0.87 116.97 119.21 1k9a h TYR 184 Ca -0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1k9a h TYR 184 Cb 0.32 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.60 1k9a h TYR 184 CO 0.00 0.32 -0.11 0.00 -1.64 0.00 0.00 178.16 176.73 1k9a h ARG 185 N -0.38 0.00 -0.43 1.82 3.08 -0.65 -2.60 114.38 115.22 1k9a h ARG 185 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1k9a h ARG 185 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1k9a h ARG 185 CO 0.01 0.11 0.00 0.43 -1.07 0.00 0.00 179.97 179.44 1k9a n SER 186 N -3.32 2.34 -1.49 7.04 7.64 -0.73 -4.68 113.62 120.42 1k9a n SER 186 Ca -0.00 -1.99 -0.12 0.00 1.01 0.00 0.00 58.87 57.77 1k9a n SER 186 Cb 0.32 -0.29 0.01 0.00 -1.01 0.00 0.00 64.21 63.24 1k9a n SER 186 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k9a n GLY 187 N 1.20 -0.03 0.02 0.23 0.00 -0.98 -1.14 105.19 104.49 1k9a n GLY 187 Ca 0.15 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1k9a n GLY 187 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k9a n TRP 188 N -3.97 0.00 -2.77 1.61 7.02 0.28 -4.85 117.44 114.77 1k9a n TRP 188 Ca -0.10 -0.04 -0.41 0.00 -1.02 0.00 0.00 57.50 55.93 1k9a n TRP 188 Cb 0.58 -0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.43 1k9a n TRP 188 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1k9a s ALA 189 N -0.12 3.25 0.35 6.99 0.00 -1.11 0.46 121.76 131.58 1k9a s ALA 189 Ca 0.01 0.52 0.09 0.00 0.00 0.00 0.00 51.96 52.57 1k9a s ALA 189 Cb 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 1k9a s ALA 189 CO 0.01 -0.04 0.06 -0.51 0.00 0.00 0.00 175.76 175.28 1k9a s LEU 190 N 0.14 3.07 -0.18 0.00 1.43 0.76 -4.83 118.68 119.07 1k9a s LEU 190 Ca 0.46 -0.95 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1k9a s LEU 190 Cb -0.22 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1k9a s LEU 190 CO 0.28 -0.29 -0.05 0.21 0.23 0.00 0.00 176.35 176.73 1k9a s ASN 191 N -3.77 4.46 0.44 2.29 3.84 -1.26 -4.69 114.94 116.24 1k9a s ASN 191 Ca 0.36 -0.28 0.16 0.00 0.21 0.00 0.00 52.86 53.31 1k9a s ASN 191 Cb -0.00 -1.74 1.08 0.00 -0.55 0.00 0.00 41.25 40.04 1k9a s ASN 191 CO 0.21 0.07 1.93 -0.03 -2.79 0.00 0.00 177.10 176.49 1k9a h MET 192 N 7.40 0.37 0.00 0.43 1.85 -1.96 -1.07 114.93 121.95 1k9a h MET 192 Ca -0.35 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 58.71 1k9a h MET 192 Cb 1.18 -0.08 -0.00 0.00 0.43 0.00 0.00 31.60 33.13 1k9a h MET 192 CO 0.60 0.24 -0.06 0.87 -0.40 0.00 0.00 176.91 178.17 1k9a h LYS 193 N 0.38 0.00 -0.21 0.39 1.57 -2.02 -1.76 116.57 114.91 1k9a h LYS 193 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1k9a h LYS 193 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1k9a h LYS 193 CO -0.11 0.06 0.00 0.39 -0.57 0.00 0.00 179.45 179.22 1k9a n GLU 194 N -3.46 2.15 -4.01 3.15 -0.58 -0.41 -4.85 120.64 112.64 1k9a n GLU 194 Ca -0.02 -1.72 -0.35 0.00 -0.42 0.00 0.00 57.16 54.65 1k9a n GLU 194 Cb 0.19 -1.46 -0.13 0.00 -0.57 0.00 0.00 31.44 29.46 1k9a n GLU 194 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1k9a s LEU 195 N -1.67 3.05 -0.27 -4.62 0.20 -0.66 -2.38 118.68 112.32 1k9a s LEU 195 Ca 0.35 -0.31 -0.01 0.00 0.69 0.00 0.00 54.13 54.85 1k9a s LEU 195 Cb 0.20 -1.77 0.04 0.00 -0.43 0.00 0.00 46.19 44.23 1k9a s LEU 195 CO 0.30 0.02 -0.05 -0.75 -0.29 0.00 0.00 176.35 175.58 1k9a s LYS 196 N 1.26 2.52 -0.51 1.98 2.20 0.09 -4.96 119.74 122.31 1k9a s LYS 196 Ca 0.03 -1.19 -0.28 0.00 -0.36 0.00 0.00 55.97 54.17 1k9a s LYS 196 Cb -0.14 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1k9a s LYS 196 CO -0.00 -0.54 1.54 -0.51 -0.36 0.00 0.00 175.35 175.48 1k9a s LEU 197 N 1.24 3.43 -0.07 5.43 1.43 -1.26 -1.38 118.68 127.50 1k9a s LEU 197 Ca -0.04 0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 53.56 1k9a s LEU 197 Cb -0.19 -3.13 -0.02 0.00 0.03 0.00 0.00 46.19 42.88 1k9a s LEU 197 CO -0.03 -1.76 0.18 -0.07 0.23 0.00 0.00 176.35 174.90 1k9a h LEU 198 N 13.52 -0.12 -7.78 1.79 3.38 -1.66 -3.49 115.31 120.95 1k9a h LEU 198 Ca -0.28 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 1k9a h LEU 198 Cb 1.12 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.77 1k9a h LEU 198 CO 1.14 0.29 -0.21 0.00 0.09 0.00 0.00 178.44 179.75 1k9a s GLN 199 N -1.96 1.11 -0.34 1.13 -2.07 -1.08 -4.99 119.66 111.46 1k9a s GLN 199 Ca -0.02 -0.96 -0.22 0.00 -1.82 0.00 0.00 55.36 52.34 1k9a s GLN 199 Cb 0.00 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.34 1k9a s GLN 199 CO 0.06 -0.42 0.74 0.99 -1.32 0.00 0.00 175.29 175.34 1k9a s THR 200 N -3.89 4.80 0.13 3.63 2.01 -1.26 0.18 115.64 121.25 1k9a s THR 200 Ca 0.10 0.91 0.04 0.00 0.31 0.00 0.00 61.69 63.04 1k9a s THR 200 Cb 0.02 -4.14 -0.20 0.00 0.01 0.00 0.00 72.50 68.20 1k9a s THR 200 CO -0.06 -0.32 1.30 0.40 -0.69 0.00 0.00 174.62 175.25 1k9a h ILE 201 N 5.67 1.60 -1.70 1.82 2.04 -0.75 -3.47 117.51 122.72 1k9a h ILE 201 Ca -0.25 -3.06 0.05 0.00 1.00 0.00 0.00 64.86 62.59 1k9a h ILE 201 Cb 1.10 2.73 -0.25 0.00 -0.74 0.00 0.00 36.82 39.66 1k9a h ILE 201 CO 0.88 0.88 0.34 -0.83 0.00 0.00 0.00 178.15 179.42 1k9a s GLY 202 N -4.63 -0.24 -0.43 5.37 0.00 -0.80 -5.00 107.32 101.59 1k9a s GLY 202 Ca -0.01 2.62 -0.05 0.00 0.00 0.00 0.00 44.72 47.28 1k9a s GLY 202 CO 0.83 2.02 0.25 0.54 0.00 0.00 0.00 173.10 176.74 1k9a s LYS 203 N 0.61 2.16 0.61 2.90 1.02 -1.26 -1.08 119.74 124.70 1k9a s LYS 203 Ca -0.01 -1.80 0.09 0.00 0.02 0.00 0.00 55.97 54.27 1k9a s LYS 203 Cb -0.05 -3.69 0.10 0.00 -0.52 0.00 0.00 37.83 33.68 1k9a s LYS 203 CO -0.08 -1.11 0.85 0.20 -0.92 0.00 0.00 175.35 174.29 1k9a s GLY 204 N 2.09 1.70 0.19 -3.33 0.00 -0.41 -5.03 107.32 102.53 1k9a s GLY 204 Ca 0.07 -2.18 0.00 0.00 0.00 0.00 0.00 44.72 42.61 1k9a s GLY 204 CO -0.03 -1.67 1.45 -2.09 0.00 0.00 0.00 173.10 170.77 1k9a h GLU 205 N 0.03 0.34 -0.01 2.90 4.81 -2.03 -3.33 114.58 117.29 1k9a h GLU 205 Ca -0.29 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1k9a h GLU 205 Cb 1.29 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1k9a h GLU 205 CO 0.40 0.92 -0.25 1.19 -0.73 0.00 0.00 179.01 180.54 1k9a n PHE 206 N -3.82 0.00 -3.76 0.92 3.01 -1.26 -4.87 117.46 107.67 1k9a n PHE 206 Ca -0.04 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.46 1k9a n PHE 206 Cb 0.70 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.17 1k9a n PHE 206 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1k9a s GLY 207 N -1.71 -0.35 0.13 1.37 0.00 -1.25 -1.01 107.32 104.50 1k9a s GLY 207 Ca 0.14 0.54 0.10 0.00 0.00 0.00 0.00 44.72 45.49 1k9a s GLY 207 CO 0.34 2.80 -0.23 0.99 0.00 0.00 0.00 173.10 177.00 1k9a s ASP 208 N -3.38 2.93 -0.05 1.64 1.01 -0.66 -1.28 116.67 116.88 1k9a s ASP 208 Ca 0.22 -0.74 0.03 0.00 0.71 0.00 0.00 52.55 52.77 1k9a s ASP 208 Cb 0.04 -0.18 0.00 0.00 1.01 0.00 0.00 42.92 43.79 1k9a s ASP 208 CO -0.04 0.10 -0.13 -0.69 0.21 0.00 0.00 175.17 174.62 1k9a s VAL 209 N -1.23 1.13 0.04 -1.27 1.01 -0.24 -1.92 120.40 117.93 1k9a s VAL 209 Ca 0.11 -0.53 0.05 0.00 0.00 0.00 0.00 61.98 61.62 1k9a s VAL 209 Cb -0.09 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1k9a s VAL 209 CO 0.06 0.34 -0.15 -0.04 0.00 0.00 0.00 175.10 175.31 1k9a s MET 210 N 0.31 0.96 0.22 2.72 -1.94 0.28 -0.00 119.30 121.85 1k9a s MET 210 Ca -0.08 -0.80 -0.27 0.00 -1.71 0.00 0.00 55.69 52.83 1k9a s MET 210 Cb -0.12 -0.98 -0.09 0.00 2.01 0.00 0.00 34.83 35.65 1k9a s MET 210 CO 0.02 0.24 0.86 -1.17 -0.01 0.00 0.00 175.02 174.96 1k9a s LEU 211 N -1.23 4.58 0.00 -0.03 2.96 0.13 -0.75 118.68 124.34 1k9a s LEU 211 Ca 0.02 1.78 0.04 0.00 -0.22 0.00 0.00 54.13 55.75 1k9a s LEU 211 Cb -0.08 -3.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 1k9a s LEU 211 CO 0.01 0.15 0.36 0.61 -1.32 0.00 0.00 176.35 176.16 1k9a n GLY 212 N 1.39 2.62 2.87 7.98 0.00 0.11 -1.67 105.19 118.50 1k9a n GLY 212 Ca -0.03 -1.79 -0.27 0.00 0.00 0.00 0.00 46.02 43.93 1k9a n GLY 212 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k9a s ASP 213 N -3.27 2.44 -0.22 1.61 -1.08 -0.48 -0.86 116.67 114.82 1k9a s ASP 213 Ca 0.36 -0.47 0.01 0.00 -0.52 0.00 0.00 52.55 51.93 1k9a s ASP 213 Cb 0.01 -0.80 0.05 0.00 -1.46 0.00 0.00 42.92 40.72 1k9a s ASP 213 CO 0.26 -0.17 -0.10 -0.47 0.52 0.00 0.00 175.17 175.20 1k9a s TYR 214 N 1.72 2.61 -1.53 -5.34 5.04 -0.14 -0.73 117.35 118.98 1k9a s TYR 214 Ca 0.03 -1.78 -0.13 0.00 -2.44 0.00 0.00 57.07 52.75 1k9a s TYR 214 Cb -0.14 -1.70 0.08 0.00 0.35 0.00 0.00 41.96 40.55 1k9a s TYR 214 CO -0.08 -0.78 0.95 0.54 -1.34 0.00 0.00 175.55 174.84 1k9a n ARG 215 N 4.63 -5.32 0.00 4.97 1.74 -1.00 -1.88 116.66 119.79 1k9a n ARG 215 Ca -0.14 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1k9a n ARG 215 Cb 0.45 -5.43 0.00 0.00 -1.02 0.00 0.00 32.46 26.46 1k9a n ARG 215 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k9a n GLY 216 N -1.67 1.83 3.61 -0.13 0.00 -1.26 -5.04 105.19 102.52 1k9a n GLY 216 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1k9a n GLY 216 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k9a s ASN 217 N -2.66 4.74 0.38 1.61 -0.87 -0.79 -5.07 114.94 112.28 1k9a s ASN 217 Ca 0.00 -0.09 -0.27 0.00 -1.57 0.00 0.00 52.86 50.93 1k9a s ASN 217 Cb 0.00 -1.15 -0.10 0.00 -0.02 0.00 0.00 41.25 39.97 1k9a s ASN 217 CO 0.00 0.30 1.41 -0.54 -2.57 0.00 0.00 177.10 175.70 1k9a s LYS 218 N -1.30 4.07 0.12 -0.60 1.02 -1.26 -0.97 119.74 120.82 1k9a s LYS 218 Ca 0.16 2.41 -0.09 0.00 0.02 0.00 0.00 55.97 58.47 1k9a s LYS 218 Cb -0.11 -2.91 -0.00 0.00 -0.52 0.00 0.00 37.83 34.29 1k9a s LYS 218 CO 0.07 -0.50 0.24 0.08 -0.92 0.00 0.00 175.35 174.31 1k9a s VAL 219 N -1.16 0.11 -0.12 3.17 1.01 -0.04 -4.35 120.40 119.02 1k9a s VAL 219 Ca 0.54 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 1k9a s VAL 219 Cb -0.43 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1k9a s VAL 219 CO 0.58 -0.48 -0.03 0.00 0.00 0.00 0.00 175.10 175.17 1k9a s ALA 220 N -3.90 3.08 -0.11 5.51 0.00 0.45 0.10 121.76 126.88 1k9a s ALA 220 Ca 0.10 -0.82 0.03 0.00 0.00 0.00 0.00 51.96 51.26 1k9a s ALA 220 Cb 0.04 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.67 1k9a s ALA 220 CO -0.06 0.36 -0.19 0.08 0.00 0.00 0.00 175.76 175.95 1k9a s VAL 221 N -0.13 1.79 0.04 0.00 1.01 0.07 0.83 120.40 124.00 1k9a s VAL 221 Ca 0.03 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.27 1k9a s VAL 221 Cb -0.13 -1.59 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 1k9a s VAL 221 CO 0.02 0.50 -0.25 -0.75 0.00 0.00 0.00 175.10 174.62 1k9a s LYS 222 N 0.72 1.86 0.07 2.72 2.20 -0.15 -0.55 119.74 126.61 1k9a s LYS 222 Ca -0.11 -1.08 0.06 0.00 -0.36 0.00 0.00 55.97 54.48 1k9a s LYS 222 Cb -0.16 -2.02 -0.03 0.00 -1.51 0.00 0.00 37.83 34.12 1k9a s LYS 222 CO 0.02 0.52 -0.16 0.00 -0.36 0.00 0.00 175.35 175.37 1k9a s ILE 224 N -1.12 4.14 0.63 0.00 1.01 -1.26 -1.66 121.20 122.94 1k9a s ILE 224 Ca 0.01 -0.25 -0.10 0.00 0.00 0.00 0.00 60.65 60.31 1k9a s ILE 224 Cb -0.09 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.49 1k9a s ILE 224 CO 0.02 0.43 1.01 -0.54 0.00 0.00 0.00 174.94 175.87 1k9a s LYS 225 N 0.87 3.22 -1.56 2.79 1.02 -0.18 -4.27 119.74 121.64 1k9a s LYS 225 Ca 0.01 0.48 -0.12 0.00 0.02 0.00 0.00 55.97 56.36 1k9a s LYS 225 Cb -0.14 -2.12 0.09 0.00 -0.52 0.00 0.00 37.83 35.14 1k9a s LYS 225 CO 0.02 -0.72 0.80 -1.71 -0.92 0.00 0.00 175.35 172.81 1k9a n ASN 226 N -2.77 -3.20 -3.08 2.83 2.85 -1.26 -4.88 115.26 105.74 1k9a n ASN 226 Ca 0.06 -0.90 -0.25 0.00 -0.11 0.00 0.00 54.58 53.37 1k9a n ASN 226 Cb 0.56 -3.36 -0.05 0.00 1.24 0.00 0.00 39.78 38.17 1k9a n ASN 226 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1k9a n ASP 227 N -2.81 3.52 -0.32 1.20 2.03 -1.26 -4.96 116.55 113.95 1k9a n ASP 227 Ca -0.03 -3.48 0.17 0.00 0.52 0.00 0.00 54.79 51.96 1k9a n ASP 227 Cb 0.55 -0.59 0.36 0.00 -0.72 0.00 0.00 41.12 40.71 1k9a n ASP 227 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k9a h ALA 228 N 3.25 1.57 -0.01 -1.67 0.00 -1.91 0.97 119.26 121.46 1k9a h ALA 228 Ca 0.13 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1k9a h ALA 228 Cb 0.63 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1k9a h ALA 228 CO 0.75 -0.43 -0.24 0.25 0.00 0.00 0.00 179.25 179.58 1k9a n THR 229 N -5.08 0.00 -1.06 0.00 -2.24 -1.26 -1.44 114.28 103.20 1k9a n THR 229 Ca 0.25 -0.20 -0.02 0.00 -2.27 0.00 0.00 64.05 61.81 1k9a n THR 229 Cb 0.76 0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 69.66 1k9a n THR 229 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k9a n ALA 230 N -0.22 -0.03 0.18 6.98 0.00 0.33 -4.83 120.51 122.93 1k9a n ALA 230 Ca 0.13 0.03 0.05 0.00 0.00 0.00 0.00 53.44 53.65 1k9a n ALA 230 Cb 0.39 -0.86 0.31 0.00 0.00 0.00 0.00 19.45 19.29 1k9a n ALA 230 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1k9a h GLN 231 N 0.40 0.00 -0.27 0.00 3.07 -1.92 -0.17 115.11 116.22 1k9a h GLN 231 Ca -0.04 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.64 1k9a h GLN 231 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.09 1k9a h GLN 231 CO 0.06 0.39 -0.06 0.00 0.09 0.00 0.00 178.83 179.31 1k9a h ALA 232 N 1.61 0.38 -0.02 0.06 0.00 -1.90 -0.09 119.26 119.31 1k9a h ALA 232 Ca -0.00 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1k9a h ALA 232 Cb 0.94 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1k9a h ALA 232 CO 0.05 0.18 -0.12 0.35 0.00 0.00 0.00 179.25 179.71 1k9a h PHE 233 N 0.28 -0.31 -0.11 0.00 3.57 -1.84 -1.21 116.94 117.32 1k9a h PHE 233 Ca 0.07 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.60 1k9a h PHE 233 Cb 0.53 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 1k9a h PHE 233 CO 0.05 -0.18 0.01 -0.07 -2.23 0.00 0.00 178.31 175.88 1k9a h LEU 234 N -0.20 -0.03 -0.83 0.59 3.38 -0.89 -1.46 115.31 115.87 1k9a h LEU 234 Ca 0.05 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.13 1k9a h LEU 234 Cb 0.26 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1k9a h LEU 234 CO -0.13 0.00 0.49 0.00 0.09 0.00 0.00 178.44 178.89 1k9a h ALA 235 N 1.09 1.18 -0.19 1.53 0.00 -0.79 0.40 119.26 122.48 1k9a h ALA 235 Ca 0.05 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 1k9a h ALA 235 Cb 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1k9a h ALA 235 CO -0.08 0.13 -0.42 1.49 0.00 0.00 0.00 179.25 180.37 1k9a h GLU 236 N 0.83 0.63 0.04 0.00 4.81 -0.93 -2.61 114.58 117.35 1k9a h GLU 236 Ca 0.39 -0.42 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1k9a h GLU 236 Cb 0.33 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.77 1k9a h GLU 236 CO -0.23 1.04 -0.02 0.00 -0.73 0.00 0.00 179.01 179.06 1k9a h ALA 237 N 0.59 -0.05 0.05 2.92 0.00 -0.95 -2.41 119.26 119.41 1k9a h ALA 237 Ca 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1k9a h ALA 237 Cb 1.03 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1k9a h ALA 237 CO 0.09 -0.46 -0.46 0.77 0.00 0.00 0.00 179.25 179.19 1k9a h SER 238 N -0.20 -1.39 -0.95 0.00 0.02 -0.95 -1.22 113.55 108.86 1k9a h SER 238 Ca -0.01 0.16 0.11 0.00 -0.84 0.00 0.00 61.79 61.21 1k9a h SER 238 Cb 0.18 0.53 -0.07 0.00 0.14 0.00 0.00 62.40 63.18 1k9a h SER 238 CO 0.01 -0.50 0.61 1.62 -1.14 0.00 0.00 176.83 177.43 1k9a h VAL 239 N -0.65 0.94 -0.17 2.27 3.04 -1.48 -0.16 116.25 120.04 1k9a h VAL 239 Ca 0.03 -0.32 -0.03 0.00 -1.01 0.00 0.00 66.70 65.36 1k9a h VAL 239 Cb 0.70 -0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.89 1k9a h VAL 239 CO -0.30 0.17 -0.04 0.24 -1.01 0.00 0.00 177.57 176.63 1k9a h MET 240 N 0.94 0.25 0.00 4.17 2.86 -0.73 0.12 114.93 122.54 1k9a h MET 240 Ca 0.46 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 1k9a h MET 240 Cb 0.46 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1k9a h MET 240 CO -0.22 0.31 0.00 0.25 1.06 0.00 0.00 176.91 178.31 1k9a n THR 241 N -4.35 0.93 0.87 2.22 -2.24 -0.08 -2.35 114.28 109.28 1k9a n THR 241 Ca -0.00 0.28 0.10 0.00 -2.27 0.00 0.00 64.05 62.15 1k9a n THR 241 Cb 0.20 -1.16 -0.00 0.00 -2.10 0.00 0.00 70.33 67.27 1k9a n THR 241 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k9a n GLN 242 N -2.00 1.43 -3.85 -0.78 6.02 0.38 -4.31 117.38 114.27 1k9a n GLN 242 Ca 0.02 -0.93 -0.35 0.00 -0.01 0.00 0.00 57.00 55.72 1k9a n GLN 242 Cb 0.19 -1.39 -0.08 0.00 1.02 0.00 0.00 30.24 29.98 1k9a n GLN 242 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1k9a s LEU 243 N -2.27 4.14 -0.33 1.08 1.43 -0.99 -5.04 118.68 116.69 1k9a s LEU 243 Ca 0.16 0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1k9a s LEU 243 Cb 0.16 -2.05 0.16 0.00 0.03 0.00 0.00 46.19 44.49 1k9a s LEU 243 CO 0.49 0.24 0.40 -0.60 0.23 0.00 0.00 176.35 177.11 1k9a s ARG 244 N 0.00 0.51 -0.01 1.70 3.52 -1.26 -4.88 118.95 118.54 1k9a s ARG 244 Ca 0.09 -0.31 -0.11 0.00 -0.13 0.00 0.00 55.73 55.27 1k9a s ARG 244 Cb -0.12 -0.48 0.01 0.00 -1.56 0.00 0.00 34.95 32.81 1k9a s ARG 244 CO -0.00 -1.11 0.23 -1.58 -0.81 0.00 0.00 175.30 172.04 1k9a s HIS 245 N 2.05 -0.09 -1.43 5.12 2.46 -1.26 -5.03 115.29 117.11 1k9a s HIS 245 Ca 0.13 0.10 0.17 0.00 0.47 0.00 0.00 55.06 55.93 1k9a s HIS 245 Cb -0.13 0.03 0.85 0.00 -0.13 0.00 0.00 32.58 33.21 1k9a s HIS 245 CO -0.19 -0.34 1.50 -1.13 -2.47 0.00 0.00 174.74 172.11 1k9a n SER 246 N 1.39 0.00 -0.42 9.88 3.41 -1.26 -2.58 113.62 124.04 1k9a n SER 246 Ca -0.22 0.04 0.08 0.00 -0.26 0.00 0.00 58.87 58.51 1k9a n SER 246 Cb 0.56 -0.28 0.18 0.00 -0.26 0.00 0.00 64.21 64.40 1k9a n SER 246 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1k9a n ASN 247 N -1.28 2.46 -4.15 4.04 3.02 -1.26 -4.94 115.26 113.14 1k9a n ASN 247 Ca 0.08 -3.33 -0.29 0.00 -0.03 0.00 0.00 54.58 51.01 1k9a n ASN 247 Cb 0.13 -0.49 -0.17 0.00 -0.61 0.00 0.00 39.78 38.65 1k9a n ASN 247 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k9a s LEU 248 N -2.99 1.93 0.17 3.41 1.43 -1.06 -1.10 118.68 120.47 1k9a s LEU 248 Ca 0.36 -0.45 -0.33 0.00 -1.03 0.00 0.00 54.13 52.68 1k9a s LEU 248 Cb 0.32 -1.17 -0.13 0.00 0.03 0.00 0.00 46.19 45.24 1k9a s LEU 248 CO 0.01 0.13 1.61 0.52 0.23 0.00 0.00 176.35 178.85 1k9a n VAL 249 N 3.50 0.01 -3.13 -1.59 0.31 -0.28 -4.74 118.33 112.41 1k9a n VAL 249 Ca -0.20 -0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.74 1k9a n VAL 249 Cb 0.52 -1.64 -0.05 0.00 -0.91 0.00 0.00 33.84 31.77 1k9a n VAL 249 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1k9a s GLN 250 N 0.96 4.39 0.19 5.55 2.00 -1.26 -4.96 119.66 126.53 1k9a s GLN 250 Ca 0.78 0.79 -0.30 0.00 -2.00 0.00 0.00 55.36 54.62 1k9a s GLN 250 Cb -0.64 -3.40 -0.09 0.00 0.80 0.00 0.00 33.01 29.68 1k9a s GLN 250 CO 0.37 0.19 1.33 -1.17 -0.50 0.00 0.00 175.29 175.51 1k9a s LEU 251 N 0.38 4.41 -0.13 3.68 2.96 -1.26 -1.74 118.68 126.98 1k9a s LEU 251 Ca 0.34 2.41 0.14 0.00 -0.22 0.00 0.00 54.13 56.80 1k9a s LEU 251 Cb -0.18 -3.61 -0.19 0.00 0.50 0.00 0.00 46.19 42.71 1k9a s LEU 251 CO 0.17 -0.55 0.09 0.18 -1.32 0.00 0.00 176.35 174.92 1k9a n LEU 252 N 2.74 0.00 0.00 -0.68 4.77 0.01 -4.89 117.00 118.95 1k9a n LEU 252 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1k9a n LEU 252 Cb 0.43 0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1k9a n LEU 252 CO 0.58 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1k9a n GLY 253 N 2.01 -2.54 3.27 -0.72 0.00 -1.07 -4.94 105.19 101.21 1k9a n GLY 253 Ca -0.22 -1.27 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 1k9a n GLY 253 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k9a s VAL 254 N -2.12 1.74 -0.13 1.61 1.01 0.17 -0.98 120.40 121.71 1k9a s VAL 254 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 61.98 60.65 1k9a s VAL 254 Cb 0.00 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.87 1k9a s VAL 254 CO 0.00 0.15 -0.11 -0.63 0.00 0.00 0.00 175.10 174.50 1k9a s ILE 255 N -0.90 1.34 -0.30 2.22 1.01 -0.73 -0.17 121.20 123.67 1k9a s ILE 255 Ca 0.08 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1k9a s ILE 255 Cb -0.09 -1.30 0.09 0.00 0.01 0.00 0.00 42.46 41.17 1k9a s ILE 255 CO 0.03 0.42 0.02 -0.69 0.00 0.00 0.00 174.94 174.71 1k9a s VAL 256 N 1.58 1.84 -0.03 2.92 1.01 -1.26 -1.37 120.40 125.08 1k9a s VAL 256 Ca 0.05 -1.83 -0.23 0.00 0.00 0.00 0.00 61.98 59.96 1k9a s VAL 256 Cb -0.13 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 1k9a s VAL 256 CO -0.10 -0.43 0.69 -1.61 0.00 0.00 0.00 175.10 173.66 1k9a s GLU 257 N 1.17 4.43 0.64 2.72 2.02 -0.86 -4.94 118.70 123.89 1k9a s GLU 257 Ca 0.04 0.89 0.38 0.00 0.02 0.00 0.00 54.97 56.30 1k9a s GLU 257 Cb -0.19 -3.41 2.06 0.00 0.10 0.00 0.00 34.13 32.69 1k9a s GLU 257 CO -0.10 0.16 2.16 0.93 0.02 0.00 0.00 175.26 178.43 1k9a h GLU 258 N 6.33 0.00 0.00 1.61 4.39 -1.99 0.30 114.58 125.22 1k9a h GLU 258 Ca -0.42 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.23 1k9a h GLU 258 Cb 1.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1k9a h GLU 258 CO 0.73 0.00 -0.23 0.87 -1.16 0.00 0.00 179.01 179.22 1k9a h LYS 259 N 0.00 0.00 0.00 2.33 6.56 -1.92 -3.45 116.57 120.09 1k9a h LYS 259 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1k9a h LYS 259 Cb 0.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 1k9a h LYS 259 CO 0.00 0.23 0.00 0.41 -2.06 0.00 0.00 179.45 178.03 1k9a n GLY 260 N -0.07 1.12 3.62 3.86 0.00 0.11 -3.15 105.19 110.68 1k9a n GLY 260 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1k9a n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k9a s GLY 261 N -1.25 1.16 -0.23 -0.02 0.00 -1.22 -4.81 107.32 100.96 1k9a s GLY 261 Ca 0.00 0.37 -0.04 0.00 0.00 0.00 0.00 44.72 45.05 1k9a s GLY 261 CO 0.00 2.99 -0.02 1.08 0.00 0.00 0.00 173.10 177.15 1k9a s LEU 262 N 5.38 3.02 0.07 0.66 1.43 -1.26 -2.03 118.68 125.96 1k9a s LEU 262 Ca 0.71 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 53.49 1k9a s LEU 262 Cb -0.23 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1k9a s LEU 262 CO 0.30 -0.03 -0.16 -0.31 0.23 0.00 0.00 176.35 176.38 1k9a s TYR 263 N 1.50 1.36 -0.25 0.29 1.51 -0.47 -4.47 117.35 116.81 1k9a s TYR 263 Ca 0.06 -0.43 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 1k9a s TYR 263 Cb -0.15 -0.77 0.03 0.00 -0.11 0.00 0.00 41.96 40.97 1k9a s TYR 263 CO -0.02 0.08 -0.06 0.42 -1.11 0.00 0.00 175.55 174.86 1k9a s ILE 264 N -1.15 2.84 -0.12 2.71 1.01 0.02 -1.78 121.20 124.73 1k9a s ILE 264 Ca 0.01 -1.06 -0.18 0.00 0.00 0.00 0.00 60.65 59.41 1k9a s ILE 264 Cb -0.10 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 1k9a s ILE 264 CO 0.02 0.18 0.49 -0.69 0.00 0.00 0.00 174.94 174.94 1k9a s VAL 265 N 1.31 5.18 0.14 2.92 1.01 -0.15 -0.98 120.40 129.84 1k9a s VAL 265 Ca -0.00 0.97 0.04 0.00 0.00 0.00 0.00 61.98 62.99 1k9a s VAL 265 Cb -0.17 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1k9a s VAL 265 CO -0.04 0.32 -0.10 -0.89 0.00 0.00 0.00 175.10 174.39 1k9a s THR 266 N 0.64 1.14 0.54 3.92 2.01 0.24 -0.81 115.64 123.32 1k9a s THR 266 Ca 0.26 -2.00 -0.22 0.00 0.31 0.00 0.00 61.69 60.05 1k9a s THR 266 Cb -0.15 -1.77 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1k9a s THR 266 CO 0.11 -0.72 1.36 -1.83 -0.69 0.00 0.00 174.62 172.85 1k9a s GLU 267 N -3.60 3.18 0.18 4.92 -1.05 -0.71 -0.41 118.70 121.20 1k9a s GLU 267 Ca 0.15 2.24 -0.29 0.00 -0.15 0.00 0.00 54.97 56.92 1k9a s GLU 267 Cb 0.02 -2.28 -0.08 0.00 -0.44 0.00 0.00 34.13 31.35 1k9a s GLU 267 CO 0.00 -1.16 0.92 -0.47 0.95 0.00 0.00 175.26 175.50 1k9a s TYR 268 N -1.30 3.91 -0.45 4.83 5.04 -1.26 -4.32 117.35 123.80 1k9a s TYR 268 Ca 0.71 1.83 0.03 0.00 -2.44 0.00 0.00 57.07 57.20 1k9a s TYR 268 Cb -0.40 -2.98 0.12 0.00 0.35 0.00 0.00 41.96 39.04 1k9a s TYR 268 CO 0.48 0.37 0.18 -1.64 -1.34 0.00 0.00 175.55 173.60 1k9a s MET 269 N -0.71 1.83 0.49 4.97 -1.94 -1.26 -4.88 119.30 117.80 1k9a s MET 269 Ca 0.42 -2.24 0.28 0.00 -1.71 0.00 0.00 55.69 52.44 1k9a s MET 269 Cb -0.25 -3.33 1.36 0.00 2.01 0.00 0.00 34.83 34.62 1k9a s MET 269 CO 0.30 -1.04 1.83 0.00 -0.01 0.00 0.00 175.02 176.10 1k9a h ALA 270 N 7.13 2.68 -0.26 3.03 0.00 -1.85 -2.75 119.26 127.24 1k9a h ALA 270 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1k9a h ALA 270 Cb 0.96 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1k9a h ALA 270 CO 0.62 -1.00 0.00 1.63 0.00 0.00 0.00 179.25 180.50 1k9a n LYS 271 N -4.36 1.71 -0.06 0.00 4.76 -0.30 -4.93 118.16 114.97 1k9a n LYS 271 Ca 0.22 -1.09 0.01 0.00 -2.87 0.00 0.00 58.31 54.58 1k9a n LYS 271 Cb 0.98 -1.29 -0.00 0.00 -1.84 0.00 0.00 35.03 32.88 1k9a n LYS 271 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1k9a n GLY 272 N 1.04 -1.43 3.72 0.72 0.00 -1.04 -4.50 105.19 103.69 1k9a n GLY 272 Ca 0.12 -1.17 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 1k9a n GLY 272 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k9a s SER 273 N -4.08 4.13 0.33 1.61 1.04 -1.26 -1.54 113.70 113.93 1k9a s SER 273 Ca 0.00 2.32 0.05 0.00 0.48 0.00 0.00 55.95 58.80 1k9a s SER 273 Cb 0.00 -2.58 0.59 0.00 0.10 0.00 0.00 66.02 64.13 1k9a s SER 273 CO 0.00 -2.31 1.85 0.25 0.98 0.00 0.00 173.24 174.01 1k9a h LEU 274 N -0.43 0.45 0.28 2.42 5.85 0.16 -1.95 115.31 122.10 1k9a h LEU 274 Ca -0.47 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1k9a h LEU 274 Cb 1.29 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.17 1k9a h LEU 274 CO 0.49 0.57 -0.39 0.58 -0.34 0.00 0.00 178.44 179.35 1k9a h VAL 275 N 0.45 0.21 0.08 1.05 2.07 -1.75 -1.11 116.25 117.25 1k9a h VAL 275 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.61 1k9a h VAL 275 Cb 0.40 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1k9a h VAL 275 CO 0.02 0.00 -0.04 0.44 0.02 0.00 0.00 177.57 178.01 1k9a h ASP 276 N -0.73 -0.10 -0.90 0.57 3.32 -1.86 -1.14 116.42 115.60 1k9a h ASP 276 Ca -0.01 -0.04 0.23 0.00 0.02 0.00 0.00 57.03 57.23 1k9a h ASP 276 Cb 0.69 0.02 -0.13 0.00 0.22 0.00 0.00 39.33 40.13 1k9a h ASP 276 CO -0.13 -0.03 0.37 0.22 -1.72 0.00 0.00 179.24 177.96 1k9a h TYR 277 N -0.16 0.61 0.01 4.55 3.20 -1.21 0.35 116.97 124.33 1k9a h TYR 277 Ca -0.01 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1k9a h TYR 277 Cb 0.13 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1k9a h TYR 277 CO -0.06 -0.08 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.31 1k9a h LEU 278 N 0.36 -0.01 -0.31 2.82 3.38 -0.81 -2.73 115.31 118.01 1k9a h LEU 278 Ca 0.56 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1k9a h LEU 278 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 1k9a h LEU 278 CO -0.55 0.35 0.19 0.03 0.09 0.00 0.00 178.44 178.55 1k9a h ARG 279 N -0.39 0.37 0.15 1.13 3.08 0.21 0.23 114.38 119.17 1k9a h ARG 279 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1k9a h ARG 279 Cb 0.37 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1k9a h ARG 279 CO 0.00 0.24 -0.08 0.66 -1.07 0.00 0.00 179.97 179.73 1k9a h SER 280 N 0.38 -0.20 -0.23 7.04 4.64 -0.44 -3.30 113.55 121.44 1k9a h SER 280 Ca 0.12 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.37 1k9a h SER 280 Cb -0.01 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1k9a h SER 280 CO -0.05 -0.13 -0.12 0.03 -0.87 0.00 0.00 176.83 175.69 1k9a h ARG 281 N -0.22 0.63 0.00 4.77 3.08 -1.55 -3.49 114.38 117.60 1k9a h ARG 281 Ca -0.02 -0.19 0.18 0.00 0.07 0.00 0.00 59.98 60.01 1k9a h ARG 281 Cb 0.17 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1k9a h ARG 281 CO 0.03 0.73 -0.23 0.41 -1.07 0.00 0.00 179.97 179.84 1k9a n GLY 282 N -0.54 -0.90 0.34 0.04 0.00 0.82 -3.63 105.19 101.32 1k9a n GLY 282 Ca 0.01 -0.57 0.32 0.00 0.00 0.00 0.00 46.02 45.78 1k9a n GLY 282 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1k9a h ARG 283 N 0.00 0.03 0.00 1.61 -0.00 -1.86 0.15 114.38 114.31 1k9a h ARG 283 Ca 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.99 1k9a h ARG 283 Cb 0.59 -0.01 0.00 0.00 -0.00 0.00 0.00 29.97 30.55 1k9a h ARG 283 CO 0.00 0.02 0.00 -1.13 -0.00 0.00 0.00 179.97 178.87 1k9a n SER 284 N -5.18 0.00 -0.01 0.08 3.41 -1.26 -4.06 113.62 106.60 1k9a n SER 284 Ca 0.38 0.18 -0.01 0.00 -0.26 0.00 0.00 58.87 59.16 1k9a n SER 284 Cb 1.29 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 64.86 1k9a n SER 284 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1k9a n VAL 285 N -1.37 0.08 -2.73 -3.33 0.31 0.46 -5.00 118.33 106.75 1k9a n VAL 285 Ca 0.08 -0.03 -0.43 0.00 -0.01 0.00 0.00 64.34 63.96 1k9a n VAL 285 Cb 0.20 -1.05 -0.03 0.00 -0.91 0.00 0.00 33.84 32.05 1k9a n VAL 285 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1k9a s LEU 286 N -5.59 3.84 1.10 7.52 1.43 -0.75 -5.04 118.68 121.18 1k9a s LEU 286 Ca -0.02 0.05 -0.18 0.00 -1.03 0.00 0.00 54.13 52.94 1k9a s LEU 286 Cb 0.01 -3.15 0.26 0.00 0.03 0.00 0.00 46.19 43.33 1k9a s LEU 286 CO 0.03 -1.23 1.24 -0.83 0.23 0.00 0.00 176.35 175.79 1k9a s GLY 287 N 2.61 1.71 0.24 -3.19 0.00 -1.26 -4.78 107.32 102.65 1k9a s GLY 287 Ca 0.38 -1.17 -0.04 0.00 0.00 0.00 0.00 44.72 43.90 1k9a s GLY 287 CO 0.25 -0.31 1.74 -1.33 0.00 0.00 0.00 173.10 173.46 1k9a h GLY 288 N -2.16 0.94 1.00 0.20 0.00 -1.96 -2.60 103.07 98.48 1k9a h GLY 288 Ca -0.44 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.26 1k9a h GLY 288 CO 0.32 0.58 0.37 -0.55 0.00 0.00 0.00 176.54 177.26 1k9a h ASP 289 N 0.81 0.80 -0.10 0.19 3.45 -1.93 -0.33 116.42 119.32 1k9a h ASP 289 Ca 0.16 -0.08 0.01 0.00 0.43 0.00 0.00 57.03 57.54 1k9a h ASP 289 Cb 0.45 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 39.01 1k9a h ASP 289 CO 0.02 0.65 0.04 0.00 -1.57 0.00 0.00 179.24 178.38 1k9a h LEU 291 N 0.10 0.36 -0.76 0.00 3.38 -1.21 -1.10 115.31 116.09 1k9a h LEU 291 Ca 0.04 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1k9a h LEU 291 Cb 0.01 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1k9a h LEU 291 CO -0.03 0.26 -0.07 0.25 0.09 0.00 0.00 178.44 178.94 1k9a h LEU 292 N 0.43 0.86 -1.33 1.67 5.85 -0.83 -2.23 115.31 119.72 1k9a h LEU 292 Ca 0.12 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1k9a h LEU 292 Cb -0.05 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 1k9a h LEU 292 CO -0.03 0.96 0.37 0.50 -0.34 0.00 0.00 178.44 179.91 1k9a h LYS 293 N 0.79 0.83 -0.42 1.25 1.63 0.06 -0.67 116.57 120.04 1k9a h LYS 293 Ca 0.14 -0.07 -0.11 0.00 -0.85 0.00 0.00 60.65 59.76 1k9a h LYS 293 Cb 0.57 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1k9a h LYS 293 CO 0.03 0.58 -0.18 0.74 -3.45 0.00 0.00 179.45 177.17 1k9a h PHE 294 N 0.84 1.00 -0.62 1.91 0.05 -0.90 -1.61 116.94 117.61 1k9a h PHE 294 Ca 0.22 -0.24 -0.01 0.00 3.82 0.00 0.00 57.97 61.76 1k9a h PHE 294 Cb -0.04 -0.23 -0.03 0.00 2.00 0.00 0.00 35.95 37.65 1k9a h PHE 294 CO 0.00 1.02 0.35 0.77 -0.18 0.00 0.00 178.31 180.27 1k9a h SER 295 N 0.69 0.76 -0.59 2.17 0.02 -0.75 -1.36 113.55 114.49 1k9a h SER 295 Ca 0.10 -0.08 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 1k9a h SER 295 Cb 0.74 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1k9a h SER 295 CO 0.06 0.62 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.27 1k9a h LEU 296 N 0.84 1.06 0.16 5.07 3.38 -1.10 0.78 115.31 125.50 1k9a h LEU 296 Ca 0.22 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1k9a h LEU 296 Cb 0.02 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1k9a h LEU 296 CO -0.04 1.12 -0.24 0.44 0.09 0.00 0.00 178.44 179.82 1k9a h ASP 297 N 0.97 -0.67 -0.67 -0.43 3.32 -0.76 0.13 116.42 118.31 1k9a h ASP 297 Ca 0.16 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1k9a h ASP 297 Cb 0.60 0.24 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 1k9a h ASP 297 CO 0.04 -0.34 0.29 0.58 -1.72 0.00 0.00 179.24 178.09 1k9a h VAL 298 N -0.47 1.24 -0.85 -1.35 2.07 -1.18 -2.34 116.25 113.37 1k9a h VAL 298 Ca 0.02 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1k9a h VAL 298 Cb 0.47 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1k9a h VAL 298 CO -0.11 0.29 0.51 0.00 0.02 0.00 0.00 177.57 178.28 1k9a h GLU 300 N 1.17 0.47 -0.43 0.00 5.08 -0.47 0.46 114.58 120.86 1k9a h GLU 300 Ca 0.31 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1k9a h GLU 300 Cb -0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1k9a h GLU 300 CO -0.06 0.81 0.18 0.00 -1.00 0.00 0.00 179.01 178.95 1k9a h ALA 301 N 1.16 0.56 -0.48 3.43 0.00 -0.84 -1.19 119.26 121.90 1k9a h ALA 301 Ca 0.03 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1k9a h ALA 301 Cb 0.91 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1k9a h ALA 301 CO 0.08 0.15 -0.09 0.52 0.00 0.00 0.00 179.25 179.91 1k9a h MET 302 N 0.55 0.85 -0.37 0.00 2.86 -0.74 -1.02 114.93 117.07 1k9a h MET 302 Ca 0.14 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 1k9a h MET 302 Cb 0.16 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 1k9a h MET 302 CO -0.01 0.91 0.01 1.49 1.06 0.00 0.00 176.91 180.37 1k9a h GLU 303 N 0.77 0.58 -0.22 1.72 4.81 -0.55 0.05 114.58 121.75 1k9a h GLU 303 Ca 0.13 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1k9a h GLU 303 Cb 0.59 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1k9a h GLU 303 CO 0.04 0.59 0.01 -0.92 -0.73 0.00 0.00 179.01 178.00 1k9a h TYR 304 N 0.55 0.41 -0.23 0.92 3.20 -0.70 0.09 116.97 121.22 1k9a h TYR 304 Ca 0.12 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 1k9a h TYR 304 Cb 0.34 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1k9a h TYR 304 CO 0.01 0.55 0.14 -0.07 -1.64 0.00 0.00 178.16 177.15 1k9a h LEU 305 N 0.15 0.28 -0.95 2.82 3.38 -0.59 -1.49 115.31 118.92 1k9a h LEU 305 Ca 0.06 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1k9a h LEU 305 Cb 0.38 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1k9a h LEU 305 CO 0.01 0.26 0.62 -0.08 0.09 0.00 0.00 178.44 179.34 1k9a h GLU 306 N 0.28 1.16 0.00 1.13 4.81 -0.93 0.53 114.58 121.56 1k9a h GLU 306 Ca 0.08 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1k9a h GLU 306 Cb 0.04 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.15 1k9a h GLU 306 CO -0.01 0.77 0.00 0.78 -0.73 0.00 0.00 179.01 179.82 1k9a h GLY 307 N 1.20 0.00 -1.66 1.92 0.00 -0.39 -1.65 103.07 102.48 1k9a h GLY 307 Ca 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.68 1k9a h GLY 307 CO -0.12 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.12 1k9a n ASN 308 N -2.73 3.76 -3.35 0.19 3.02 -0.24 -4.97 115.26 110.94 1k9a n ASN 308 Ca -0.00 -3.09 -0.24 0.00 -0.03 0.00 0.00 54.58 51.22 1k9a n ASN 308 Cb 0.19 -0.56 0.05 0.00 -0.61 0.00 0.00 39.78 38.85 1k9a n ASN 308 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1k9a n ASN 309 N -0.58 -6.04 -4.52 6.41 5.15 -0.62 -5.00 115.26 110.06 1k9a n ASN 309 Ca 0.23 -0.44 -0.30 0.00 -0.60 0.00 0.00 54.58 53.47 1k9a n ASN 309 Cb 0.92 -4.82 -0.11 0.00 -0.53 0.00 0.00 39.78 35.23 1k9a n ASN 309 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1k9a s PHE 310 N -3.24 2.61 -0.13 1.20 0.40 0.01 -3.03 117.98 115.80 1k9a s PHE 310 Ca 0.46 -0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.59 1k9a s PHE 310 Cb -0.21 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 41.94 1k9a s PHE 310 CO 0.57 0.39 -0.22 0.08 0.70 0.00 0.00 175.22 176.73 1k9a s VAL 311 N -1.15 2.04 0.08 -0.44 1.01 -0.19 -3.94 120.40 117.82 1k9a s VAL 311 Ca 0.19 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 1k9a s VAL 311 Cb -0.11 -1.79 -0.23 0.00 0.00 0.00 0.00 36.38 34.25 1k9a s VAL 311 CO 0.11 0.55 1.20 -0.74 0.00 0.00 0.00 175.10 176.22 1k9a h HIS 312 N 7.19 0.99 0.00 5.22 2.76 -1.86 -2.81 115.15 126.63 1k9a h HIS 312 Ca -0.29 -0.54 0.00 0.00 -2.20 0.00 0.00 60.37 57.34 1k9a h HIS 312 Cb 1.20 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.05 1k9a h HIS 312 CO 0.47 1.37 0.00 0.54 -1.30 0.00 0.00 177.93 179.02 1k9a n ARG 313 N -3.84 -0.79 -1.99 5.26 1.74 -1.26 -3.89 116.66 111.89 1k9a n ARG 313 Ca -0.10 0.19 -0.01 0.00 -0.77 0.00 0.00 57.85 57.16 1k9a n ARG 313 Cb 0.88 -4.60 0.03 0.00 -1.02 0.00 0.00 32.46 27.76 1k9a n ARG 313 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1k9a n ASP 314 N -0.34 0.17 -4.67 0.55 2.03 -1.26 -4.75 116.55 108.28 1k9a n ASP 314 Ca 0.00 -2.05 -0.43 0.00 0.52 0.00 0.00 54.79 52.83 1k9a n ASP 314 Cb 0.19 -0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.57 1k9a n ASP 314 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1k9a s LEU 315 N -1.89 4.22 0.10 -2.67 2.96 -1.26 -4.80 118.68 115.34 1k9a s LEU 315 Ca 0.19 1.77 -0.25 0.00 -0.22 0.00 0.00 54.13 55.62 1k9a s LEU 315 Cb 0.29 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.52 1k9a s LEU 315 CO -0.09 -0.72 0.71 0.00 -1.32 0.00 0.00 176.35 174.93 1k9a s ALA 316 N 3.15 -1.68 0.54 5.97 0.00 -1.26 -4.76 121.76 123.71 1k9a s ALA 316 Ca 0.56 0.69 0.22 0.00 0.00 0.00 0.00 51.96 53.43 1k9a s ALA 316 Cb -0.23 0.70 1.40 0.00 0.00 0.00 0.00 23.12 24.99 1k9a s ALA 316 CO 0.18 -0.74 2.08 0.00 0.00 0.00 0.00 175.76 177.28 1k9a h ALA 317 N 2.00 2.17 -0.12 0.00 0.00 -1.93 -0.59 119.26 120.78 1k9a h ALA 317 Ca -0.29 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1k9a h ALA 317 Cb 1.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1k9a h ALA 317 CO 0.35 -0.31 -0.42 0.07 0.00 0.00 0.00 179.25 178.94 1k9a h ARG 318 N 0.00 0.27 -0.50 0.00 0.11 -1.95 -2.81 114.38 109.50 1k9a h ARG 318 Ca 0.12 -0.13 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1k9a h ARG 318 Cb 0.49 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1k9a h ARG 318 CO -0.00 0.65 0.00 0.09 0.10 0.00 0.00 179.97 180.81 1k9a n ASN 319 N -4.02 2.28 -4.23 0.08 3.02 -0.24 -4.65 115.26 107.49 1k9a n ASN 319 Ca -0.02 -2.15 -0.33 0.00 -0.03 0.00 0.00 54.58 52.06 1k9a n ASN 319 Cb 0.49 -0.35 -0.16 0.00 -0.61 0.00 0.00 39.78 39.15 1k9a n ASN 319 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k9a s VAL 320 N -1.64 2.49 0.25 2.41 1.01 -1.08 -1.00 120.40 122.85 1k9a s VAL 320 Ca 0.23 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.46 1k9a s VAL 320 Cb 0.14 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1k9a s VAL 320 CO 0.13 0.52 0.15 -0.76 0.00 0.00 0.00 175.10 175.14 1k9a s LEU 321 N 0.88 3.69 -0.10 3.92 1.43 -0.31 0.16 118.68 128.35 1k9a s LEU 321 Ca -0.04 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 1k9a s LEU 321 Cb -0.15 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1k9a s LEU 321 CO -0.02 -0.03 -0.23 -0.69 0.23 0.00 0.00 176.35 175.62 1k9a s VAL 322 N -2.16 1.96 0.94 -1.59 1.01 -0.59 -0.43 120.40 119.55 1k9a s VAL 322 Ca 0.32 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 1k9a s VAL 322 Cb -0.08 -1.70 0.17 0.00 0.00 0.00 0.00 36.38 34.77 1k9a s VAL 322 CO 0.24 0.54 1.22 -0.94 0.00 0.00 0.00 175.10 176.16 1k9a s SER 323 N 0.41 3.27 0.45 3.32 1.04 -0.64 -1.15 113.70 120.40 1k9a s SER 323 Ca -0.18 0.58 0.14 0.00 0.48 0.00 0.00 55.95 56.98 1k9a s SER 323 Cb -0.18 -0.87 1.07 0.00 0.10 0.00 0.00 66.02 66.15 1k9a s SER 323 CO 0.08 -2.66 2.02 -0.08 0.98 0.00 0.00 173.24 173.57 1k9a h GLU 324 N -1.59 0.32 -1.48 4.02 4.57 -1.91 -2.20 114.58 116.32 1k9a h GLU 324 Ca -0.46 -0.02 -0.66 0.00 -1.18 0.00 0.00 59.36 57.04 1k9a h GLU 324 Cb 1.29 -0.07 -0.35 0.00 -0.16 0.00 0.00 28.75 29.46 1k9a h GLU 324 CO 0.49 0.21 0.17 -0.40 -1.18 0.00 0.00 179.01 178.31 1k9a n ASP 325 N -4.47 6.27 -2.25 1.04 5.68 -1.26 -4.95 116.55 116.62 1k9a n ASP 325 Ca 0.07 -3.78 -0.18 0.00 -0.50 0.00 0.00 54.79 50.40 1k9a n ASP 325 Cb 0.31 -0.75 -0.02 0.00 -1.14 0.00 0.00 41.12 39.52 1k9a n ASP 325 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1k9a n ASN 326 N -0.61 -5.10 -4.62 -1.12 3.02 -0.83 -5.00 115.26 101.00 1k9a n ASN 326 Ca 0.49 0.13 -0.39 0.00 -0.03 0.00 0.00 54.58 54.78 1k9a n ASN 326 Cb 0.56 -4.33 -0.09 0.00 -0.61 0.00 0.00 39.78 35.31 1k9a n ASN 326 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k9a s VAL 327 N -2.82 5.16 0.10 2.41 1.01 -1.26 -4.83 120.40 120.18 1k9a s VAL 327 Ca 0.00 0.64 -0.28 0.00 0.00 0.00 0.00 61.98 62.33 1k9a s VAL 327 Cb 0.00 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 1k9a s VAL 327 CO 0.00 0.17 0.90 0.00 0.00 0.00 0.00 175.10 176.17 1k9a s ALA 328 N 1.95 3.29 -0.00 5.51 0.00 -1.26 -1.62 121.76 129.63 1k9a s ALA 328 Ca 0.17 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.63 1k9a s ALA 328 Cb -0.16 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.77 1k9a s ALA 328 CO 0.09 0.02 -0.05 0.15 0.00 0.00 0.00 175.76 175.97 1k9a s LYS 329 N -0.09 0.38 0.41 0.00 1.02 0.42 -4.60 119.74 117.29 1k9a s LYS 329 Ca 0.44 -0.16 -0.24 0.00 0.02 0.00 0.00 55.97 56.03 1k9a s LYS 329 Cb -0.23 -0.37 -0.08 0.00 -0.52 0.00 0.00 37.83 36.63 1k9a s LYS 329 CO 0.28 0.09 1.11 0.08 -0.92 0.00 0.00 175.35 175.99 1k9a s VAL 330 N -0.06 3.41 0.00 3.17 1.01 -0.26 -1.16 120.40 126.50 1k9a s VAL 330 Ca 0.01 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.10 1k9a s VAL 330 Cb -0.02 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1k9a s VAL 330 CO -0.00 0.03 0.00 -1.54 0.00 0.00 0.00 175.10 173.59 1k9a n SER 331 N -0.11 0.03 -3.19 3.32 3.41 -0.17 -1.13 113.62 115.78 1k9a n SER 331 Ca 0.05 -0.78 -0.13 0.00 -0.26 0.00 0.00 58.87 57.75 1k9a n SER 331 Cb 0.48 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.44 1k9a n SER 331 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1k9a n ASP 332 N -2.32 -6.99 -1.55 4.04 -0.08 -1.26 -4.86 116.55 103.53 1k9a n ASP 332 Ca 0.00 -0.04 -0.03 0.00 -1.51 0.00 0.00 54.79 53.21 1k9a n ASP 332 Cb 0.00 -4.15 0.21 0.00 2.34 0.00 0.00 41.12 39.52 1k9a n ASP 332 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1k9a n PHE 333 N -1.19 1.58 -0.05 -0.67 3.01 -1.26 -4.55 117.46 114.34 1k9a n PHE 333 Ca -0.03 -0.81 -0.08 0.00 1.01 0.00 0.00 57.45 57.54 1k9a n PHE 333 Cb 0.55 -0.49 -0.01 0.00 -0.01 0.00 0.00 39.48 39.51 1k9a n PHE 333 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1k9a h GLY 334 N 3.50 -0.03 -0.04 1.37 0.00 -1.92 -2.14 103.07 103.80 1k9a h GLY 334 Ca 0.16 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1k9a h GLY 334 CO 0.47 -0.17 0.00 1.04 0.00 0.00 0.00 176.54 177.88 1k9a n LEU 335 N -5.33 0.52 -4.65 3.11 4.77 -1.26 -4.72 117.00 109.44 1k9a n LEU 335 Ca -0.01 -0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.31 1k9a n LEU 335 Cb 0.25 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1k9a n LEU 335 CO 0.17 0.12 1.14 -0.89 -1.33 0.00 0.00 177.39 176.60 1k9a s THR 336 N -1.91 4.15 0.09 -5.08 2.01 -0.81 -4.63 115.64 109.46 1k9a s THR 336 Ca 0.21 1.36 -0.05 0.00 0.31 0.00 0.00 61.69 63.52 1k9a s THR 336 Cb 0.10 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 1k9a s THR 336 CO 0.16 -0.23 0.11 -0.54 -0.69 0.00 0.00 174.62 173.43 1k9a s LYS 337 N 3.80 0.80 0.91 4.92 1.02 -1.06 -4.96 119.74 125.17 1k9a s LYS 337 Ca 0.58 -1.11 -0.11 0.00 0.02 0.00 0.00 55.97 55.34 1k9a s LYS 337 Cb -0.21 0.29 0.14 0.00 -0.52 0.00 0.00 37.83 37.52 1k9a s LYS 337 CO 0.19 -0.23 1.11 -1.21 -0.92 0.00 0.00 175.35 174.29 1k9a s GLU 338 N -3.91 1.12 -0.80 1.68 8.01 -1.26 -1.02 118.70 122.52 1k9a s GLU 338 Ca 0.09 1.22 -0.14 0.00 0.01 0.00 0.00 54.97 56.15 1k9a s GLU 338 Cb 0.06 -1.76 -0.24 0.00 -4.31 0.00 0.00 34.13 27.88 1k9a s GLU 338 CO -0.08 -2.45 1.88 0.00 0.01 0.00 0.00 175.26 174.62 1k9a n ALA 339 N -4.08 0.65 -0.19 5.21 0.00 -1.17 -4.72 120.51 116.22 1k9a n ALA 339 Ca 0.09 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1k9a n ALA 339 Cb 0.53 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.10 1k9a n ALA 339 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1k9a n SER 340 N 5.91 0.00 -4.82 0.00 7.64 -1.24 -5.00 113.62 116.10 1k9a n SER 340 Ca 0.54 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 60.07 1k9a n SER 340 Cb 0.08 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.22 1k9a n SER 340 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1k9a s LYS 347 N 0.00 4.19 -0.05 1.43 2.36 -1.26 -4.96 119.74 121.46 1k9a s LYS 347 Ca 0.00 0.83 -0.19 0.00 -2.55 0.00 0.00 55.97 54.06 1k9a s LYS 347 Cb 0.00 -2.74 -0.05 0.00 -1.05 0.00 0.00 37.83 33.99 1k9a s LYS 347 CO 0.00 0.32 0.53 -0.51 1.55 0.00 0.00 175.35 177.24 1k9a s LEU 348 N -2.28 4.37 -0.34 5.43 1.43 -1.26 -5.01 118.68 121.02 1k9a s LEU 348 Ca 0.47 1.01 -0.28 0.00 -1.03 0.00 0.00 54.13 54.29 1k9a s LEU 348 Cb -0.15 -2.79 -0.04 0.00 0.03 0.00 0.00 46.19 43.24 1k9a s LEU 348 CO 0.20 0.09 2.05 -2.16 0.23 0.00 0.00 176.35 176.77 1k9a s PRO 349 N -0.00 3.01 0.25 1.29 0.04 -1.26 -4.88 135.00 133.45 1k9a s PRO 349 Ca 0.28 1.58 -0.06 0.00 0.04 0.00 0.00 61.00 62.85 1k9a s PRO 349 Cb -0.17 -4.34 0.48 0.00 0.04 0.00 0.00 34.50 30.51 1k9a s PRO 349 CO 0.14 -2.24 1.64 0.28 0.04 0.00 0.00 177.00 176.86 1k9a h VAL 350 N 7.08 0.34 0.00 -0.36 2.07 -1.95 -0.13 116.25 123.29 1k9a h VAL 350 Ca -0.34 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1k9a h VAL 350 Cb 1.21 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1k9a h VAL 350 CO 1.04 0.02 0.00 0.29 0.02 0.00 0.00 177.57 178.94 1k9a n LYS 351 N -5.33 0.14 -0.00 1.57 5.02 -1.26 -2.77 118.16 115.53 1k9a n LYS 351 Ca 0.15 0.46 0.04 0.00 -2.02 0.00 0.00 58.31 56.93 1k9a n LYS 351 Cb 0.50 -1.81 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 1k9a n LYS 351 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1k9a n TRP 352 N -2.08 0.00 -3.32 2.13 8.01 -0.20 -4.97 117.44 117.01 1k9a n TRP 352 Ca 0.01 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.82 1k9a n TRP 352 Cb 0.15 -0.07 -0.06 0.00 -2.01 0.00 0.00 31.31 29.33 1k9a n TRP 352 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1k9a s THR 353 N -2.01 4.79 0.49 -0.99 2.01 -0.39 -3.85 115.64 115.70 1k9a s THR 353 Ca 0.01 1.13 -0.22 0.00 0.31 0.00 0.00 61.69 62.91 1k9a s THR 353 Cb 0.05 -3.86 -0.06 0.00 0.01 0.00 0.00 72.50 68.64 1k9a s THR 353 CO 0.30 0.54 1.22 0.00 -0.69 0.00 0.00 174.62 175.98 1k9a s ALA 354 N -1.13 2.90 0.15 7.40 0.00 -1.26 -4.85 121.76 124.96 1k9a s ALA 354 Ca 0.29 1.04 -0.25 0.00 0.00 0.00 0.00 51.96 53.03 1k9a s ALA 354 Cb -0.19 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.51 1k9a s ALA 354 CO 0.18 -0.87 1.60 -1.35 0.00 0.00 0.00 175.76 175.31 1k9a h PRO 355 N 1.80 -0.33 -0.67 0.00 0.11 -1.96 -0.33 132.00 130.62 1k9a h PRO 355 Ca -0.50 0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.73 1k9a h PRO 355 Cb 1.26 0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.41 1k9a h PRO 355 CO 0.59 -0.22 0.44 0.93 -0.21 0.00 0.00 178.00 179.53 1k9a h GLU 356 N -0.34 0.50 -0.29 1.05 3.07 -1.92 -2.16 114.58 114.48 1k9a h GLU 356 Ca 0.13 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.91 1k9a h GLU 356 Cb 0.56 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1k9a h GLU 356 CO -0.46 0.33 0.00 0.00 -1.40 0.00 0.00 179.01 177.48 1k9a h ALA 357 N 1.66 0.39 -0.18 3.43 0.00 -1.35 0.77 119.26 123.98 1k9a h ALA 357 Ca 0.31 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1k9a h ALA 357 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1k9a h ALA 357 CO -0.10 0.13 -0.14 -0.07 0.00 0.00 0.00 179.25 179.07 1k9a h LEU 358 N 0.30 0.28 0.00 0.00 3.38 -0.86 -3.30 115.31 115.11 1k9a h LEU 358 Ca 0.08 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1k9a h LEU 358 Cb 0.42 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1k9a h LEU 358 CO 0.01 0.45 -0.86 -0.09 0.09 0.00 0.00 178.44 178.04 1k9a h ARG 359 N 0.27 0.00 -7.18 1.13 2.43 -1.24 -3.47 114.38 106.33 1k9a h ARG 359 Ca 0.05 0.00 -0.49 0.00 -0.81 0.00 0.00 59.98 58.74 1k9a h ARG 359 Cb 0.42 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 30.02 1k9a h ARG 359 CO 0.03 0.92 0.38 -1.21 -1.51 0.00 0.00 179.97 178.57 1k9a s GLU 360 N -2.30 3.50 0.05 0.20 2.02 0.27 -4.96 118.70 117.48 1k9a s GLU 360 Ca -0.25 1.19 0.27 0.00 0.02 0.00 0.00 54.97 56.20 1k9a s GLU 360 Cb 0.03 -2.06 0.87 0.00 0.10 0.00 0.00 34.13 33.07 1k9a s GLU 360 CO 0.58 -0.66 1.70 0.36 0.02 0.00 0.00 175.26 177.26 1k9a n LYS 361 N -1.79 0.08 -4.24 1.61 2.85 -1.26 -4.72 118.16 110.70 1k9a n LYS 361 Ca 0.08 0.05 -0.33 0.00 -1.05 0.00 0.00 58.31 57.06 1k9a n LYS 361 Cb 0.53 -1.57 -0.08 0.00 -0.65 0.00 0.00 35.03 33.25 1k9a n LYS 361 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1k9a s LYS 362 N -3.04 2.90 0.22 -1.58 1.02 -1.26 -5.07 119.74 112.93 1k9a s LYS 362 Ca 0.12 -0.54 0.08 0.00 0.02 0.00 0.00 55.97 55.65 1k9a s LYS 362 Cb 0.17 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.69 1k9a s LYS 362 CO 0.61 0.64 0.02 0.12 -0.92 0.00 0.00 175.35 175.82 1k9a s PHE 363 N -1.09 2.81 0.19 3.18 5.36 -1.26 -4.68 117.98 122.49 1k9a s PHE 363 Ca 0.20 -0.17 -0.12 0.00 -0.96 0.00 0.00 56.93 55.87 1k9a s PHE 363 Cb -0.12 -1.31 0.00 0.00 -0.34 0.00 0.00 43.02 41.26 1k9a s PHE 363 CO 0.10 0.56 0.39 -1.54 -1.46 0.00 0.00 175.22 173.27 1k9a s SER 364 N -3.34 -0.08 0.47 6.13 1.04 -1.26 -3.70 113.70 112.96 1k9a s SER 364 Ca 0.30 -0.75 0.25 0.00 0.48 0.00 0.00 55.95 56.23 1k9a s SER 364 Cb -0.08 0.51 1.29 0.00 0.10 0.00 0.00 66.02 67.83 1k9a s SER 364 CO 0.20 -0.98 1.85 0.74 0.98 0.00 0.00 173.24 176.02 1k9a h THR 365 N 2.38 0.57 0.00 2.02 2.02 -1.99 0.32 112.91 118.24 1k9a h THR 365 Ca -0.30 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 1k9a h THR 365 Cb 1.24 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1k9a h THR 365 CO 0.43 0.04 -0.13 0.11 0.37 0.00 0.00 175.52 176.33 1k9a h LYS 366 N 0.21 0.00 0.02 6.66 1.79 -1.93 0.20 116.57 123.51 1k9a h LYS 366 Ca 0.49 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.73 1k9a h LYS 366 Cb 1.55 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.20 1k9a h LYS 366 CO -0.12 0.13 -0.96 0.77 -1.08 0.00 0.00 179.45 178.20 1k9a h SER 367 N 0.00 0.44 -0.55 0.86 0.02 -0.75 -2.11 113.55 111.47 1k9a h SER 367 Ca -0.00 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.57 1k9a h SER 367 Cb 0.27 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 1k9a h SER 367 CO 0.02 1.18 0.30 0.44 -1.14 0.00 0.00 176.83 177.63 1k9a h ASP 368 N 0.18 0.68 -0.77 3.07 3.32 -0.72 -0.37 116.42 121.81 1k9a h ASP 368 Ca -0.07 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 56.92 1k9a h ASP 368 Cb 1.60 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.93 1k9a h ASP 368 CO 0.16 0.58 0.48 0.58 -1.72 0.00 0.00 179.24 179.32 1k9a h VAL 369 N 0.73 1.09 -0.27 -1.35 2.07 -0.57 0.20 116.25 118.15 1k9a h VAL 369 Ca 0.19 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.43 1k9a h VAL 369 Cb 0.04 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 1k9a h VAL 369 CO -0.03 0.17 0.03 -0.25 0.02 0.00 0.00 177.57 177.51 1k9a h TRP 370 N 0.93 0.05 -0.62 1.57 2.91 -0.64 -0.19 115.95 119.95 1k9a h TRP 370 Ca 0.32 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.36 1k9a h TRP 370 Cb 0.05 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.69 1k9a h TRP 370 CO -0.04 -0.01 0.41 0.77 -1.03 0.00 0.00 178.44 178.55 1k9a h SER 371 N 0.12 0.71 -0.59 2.65 0.02 0.37 -0.55 113.55 116.28 1k9a h SER 371 Ca 0.13 -0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1k9a h SER 371 Cb 0.15 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.48 1k9a h SER 371 CO -0.19 0.51 0.39 0.15 -1.14 0.00 0.00 176.83 176.55 1k9a h PHE 372 N 0.84 0.73 -0.41 3.45 3.57 0.65 0.16 116.94 125.93 1k9a h PHE 372 Ca 0.23 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.81 1k9a h PHE 372 Cb -0.10 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.34 1k9a h PHE 372 CO 0.00 0.45 0.07 0.78 -2.23 0.00 0.00 178.31 177.38 1k9a h GLY 373 N 0.78 0.47 1.00 2.40 0.00 0.49 0.24 103.07 108.46 1k9a h GLY 373 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1k9a h GLY 373 CO -0.06 -0.05 0.24 -2.22 0.00 0.00 0.00 176.54 174.45 1k9a h ILE 374 N 0.19 1.10 -0.57 2.60 1.08 -0.57 -2.55 117.51 118.79 1k9a h ILE 374 Ca 0.20 -0.19 0.04 0.00 -0.39 0.00 0.00 64.86 64.53 1k9a h ILE 374 Cb 0.25 0.56 -0.05 0.00 -3.07 0.00 0.00 36.82 34.52 1k9a h ILE 374 CO -0.28 0.10 0.31 0.25 -0.69 0.00 0.00 178.15 177.84 1k9a h LEU 375 N 0.50 0.47 -0.49 1.44 6.46 0.08 -1.18 115.31 122.59 1k9a h LEU 375 Ca 0.14 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.98 1k9a h LEU 375 Cb -0.05 -0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 39.76 1k9a h LEU 375 CO -0.03 0.32 0.20 -0.07 -0.62 0.00 0.00 178.44 178.24 1k9a h LEU 376 N 0.60 0.24 -0.90 2.25 3.38 -0.76 0.29 115.31 120.40 1k9a h LEU 376 Ca 0.25 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.37 1k9a h LEU 376 Cb 0.12 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 1k9a h LEU 376 CO -0.15 0.17 0.54 -0.25 0.09 0.00 0.00 178.44 178.84 1k9a h TRP 377 N 0.39 0.99 -0.41 1.13 7.01 -0.94 0.11 115.95 124.22 1k9a h TRP 377 Ca 0.23 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.24 1k9a h TRP 377 Cb 0.21 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 26.94 1k9a h TRP 377 CO -0.14 0.41 0.18 0.93 -2.79 0.00 0.00 178.44 177.03 1k9a h GLU 378 N 0.90 0.61 0.53 2.65 5.08 0.33 -1.40 114.58 123.28 1k9a h GLU 378 Ca 0.43 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.68 1k9a h GLU 378 Cb 0.39 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1k9a h GLU 378 CO -0.25 0.55 -0.37 0.82 -1.00 0.00 0.00 179.01 178.77 1k9a h ILE 379 N 0.53 0.25 0.00 3.13 2.04 0.15 -1.57 117.51 122.04 1k9a h ILE 379 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1k9a h ILE 379 Cb 0.15 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1k9a h ILE 379 CO -0.01 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.92 1k9a n TYR 380 N -5.49 0.00 0.68 1.37 4.02 0.18 -1.43 117.16 116.49 1k9a n TYR 380 Ca -0.12 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.85 1k9a n TYR 380 Cb 0.39 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.74 1k9a n TYR 380 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1k9a n SER 381 N -0.98 2.00 -3.16 7.72 7.64 -0.53 -4.59 113.62 121.72 1k9a n SER 381 Ca 0.14 -1.50 -0.19 0.00 1.01 0.00 0.00 58.87 58.33 1k9a n SER 381 Cb 0.06 0.22 0.07 0.00 -1.01 0.00 0.00 64.21 63.55 1k9a n SER 381 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1k9a n PHE 382 N 0.43 -2.28 0.00 1.43 3.01 -0.51 -3.14 117.46 116.39 1k9a n PHE 382 Ca 0.08 0.86 0.00 0.00 1.01 0.00 0.00 57.45 59.40 1k9a n PHE 382 Cb 0.37 -4.58 0.00 0.00 -0.01 0.00 0.00 39.48 35.26 1k9a n PHE 382 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1k9a n GLY 383 N -1.55 1.09 3.58 1.37 0.00 -0.73 -3.37 105.19 105.57 1k9a n GLY 383 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1k9a n GLY 383 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1k9a n ARG 384 N -2.00 0.87 -2.76 1.61 0.63 -1.19 -4.92 116.66 108.90 1k9a n ARG 384 Ca 0.00 0.33 -0.41 0.00 -0.92 0.00 0.00 57.85 56.85 1k9a n ARG 384 Cb 0.00 -2.02 -0.05 0.00 0.45 0.00 0.00 32.46 30.84 1k9a n ARG 384 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1k9a s VAL 385 N -1.53 4.44 0.68 5.15 1.01 -1.26 -4.74 120.40 124.16 1k9a s VAL 385 Ca 0.72 2.03 -0.17 0.00 0.00 0.00 0.00 61.98 64.56 1k9a s VAL 385 Cb -0.45 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.58 1k9a s VAL 385 CO 0.51 0.36 0.51 -2.65 0.00 0.00 0.00 175.10 173.82 1k9a n PRO 386 N 2.53 0.35 -3.85 2.72 -0.02 -1.26 -3.60 135.00 131.86 1k9a n PRO 386 Ca 0.01 0.16 -0.34 0.00 -2.02 0.00 0.00 63.50 61.31 1k9a n PRO 386 Cb 0.49 -1.78 0.02 0.00 -0.02 0.00 0.00 33.50 32.20 1k9a n PRO 386 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1k9a n TYR 387 N -2.20 -1.81 -0.04 6.00 4.02 -1.26 -4.90 117.16 116.98 1k9a n TYR 387 Ca 0.10 0.47 -0.09 0.00 -0.01 0.00 0.00 57.90 58.37 1k9a n TYR 387 Cb 0.49 -2.97 -0.03 0.00 -0.02 0.00 0.00 39.34 36.82 1k9a n TYR 387 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1k9a h PRO 388 N -1.49 -0.29 -2.43 -0.72 0.11 -1.99 -3.28 132.00 121.91 1k9a h PRO 388 Ca -0.64 0.02 -0.71 0.00 0.11 0.00 0.00 66.00 64.78 1k9a h PRO 388 Cb 1.37 0.07 -0.34 0.00 0.11 0.00 0.00 31.00 32.21 1k9a h PRO 388 CO 0.44 -0.19 0.19 0.54 -0.21 0.00 0.00 178.00 178.78 1k9a n ARG 389 N -5.39 3.98 -3.63 1.05 1.74 -1.26 -4.96 116.66 108.19 1k9a n ARG 389 Ca -0.01 -4.69 -0.15 0.00 -0.77 0.00 0.00 57.85 52.23 1k9a n ARG 389 Cb 0.31 -2.38 -0.07 0.00 -1.02 0.00 0.00 32.46 29.30 1k9a n ARG 389 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1k9a s ILE 390 N -3.50 0.00 0.20 0.55 1.01 -1.24 -5.15 121.20 113.07 1k9a s ILE 390 Ca 0.39 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.73 1k9a s ILE 390 Cb 0.16 -0.93 -0.08 0.00 0.01 0.00 0.00 42.46 41.63 1k9a s ILE 390 CO -0.04 -0.01 1.04 -2.84 0.00 0.00 0.00 174.94 173.09 1k9a s PRO 391 N 0.04 4.69 0.14 2.79 0.02 -1.26 -4.89 135.00 136.54 1k9a s PRO 391 Ca -0.02 1.63 0.05 0.00 0.02 0.00 0.00 61.00 62.68 1k9a s PRO 391 Cb -0.04 -3.28 0.25 0.00 0.02 0.00 0.00 34.50 31.45 1k9a s PRO 391 CO 0.03 0.24 0.93 -0.11 -0.33 0.00 0.00 177.00 177.75 1k9a n LEU 392 N 1.98 0.12 -1.06 -5.54 7.94 -1.26 0.64 117.00 119.82 1k9a n LEU 392 Ca 0.01 0.35 0.12 0.00 -1.11 0.00 0.00 56.01 55.37 1k9a n LEU 392 Cb 0.47 -0.31 0.21 0.00 0.53 0.00 0.00 43.42 44.32 1k9a n LEU 392 CO 0.52 -0.39 0.70 0.29 -1.11 0.00 0.00 177.39 177.41 1k9a n LYS 393 N -1.56 2.41 -0.02 1.96 5.02 -1.26 -4.17 118.16 120.53 1k9a n LYS 393 Ca -0.00 -2.11 -0.01 0.00 -2.02 0.00 0.00 58.31 54.17 1k9a n LYS 393 Cb 0.33 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.79 1k9a n LYS 393 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1k9a n ASP 394 N 1.36 3.38 0.00 4.39 9.92 0.21 -4.76 116.55 131.04 1k9a n ASP 394 Ca 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.44 1k9a n ASP 394 Cb 0.58 0.92 0.00 0.00 -0.64 0.00 0.00 41.12 41.98 1k9a n ASP 394 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1k9a n VAL 395 N -2.05 0.00 -0.18 2.53 0.31 -1.18 0.67 118.33 118.43 1k9a n VAL 395 Ca -0.07 1.12 -0.00 0.00 -0.01 0.00 0.00 64.34 65.37 1k9a n VAL 395 Cb 0.51 -1.60 0.08 0.00 -0.91 0.00 0.00 33.84 31.92 1k9a n VAL 395 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1k9a h VAL 396 N 0.00 0.55 -0.59 2.52 3.04 -1.88 0.61 116.25 120.51 1k9a h VAL 396 Ca 0.00 -0.04 -0.08 0.00 -1.01 0.00 0.00 66.70 65.56 1k9a h VAL 396 Cb 0.00 0.41 -0.02 0.00 -2.01 0.00 0.00 31.29 29.67 1k9a h VAL 396 CO 0.00 0.02 0.04 1.55 -1.01 0.00 0.00 177.57 178.17 1k9a h PRO 397 N 0.13 0.98 0.19 4.17 0.13 -1.75 0.12 132.00 135.97 1k9a h PRO 397 Ca 0.29 -0.28 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1k9a h PRO 397 Cb 0.46 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.48 1k9a h PRO 397 CO -0.47 0.94 -0.09 0.00 -0.23 0.00 0.00 178.00 178.15 1k9a h ARG 398 N 0.91 -0.24 -0.41 0.86 2.47 0.15 -1.77 114.38 116.34 1k9a h ARG 398 Ca 0.17 0.02 0.09 0.00 -1.26 0.00 0.00 59.98 59.00 1k9a h ARG 398 Cb 0.48 0.05 -0.09 0.00 -1.65 0.00 0.00 29.97 28.76 1k9a h ARG 398 CO 0.02 0.02 -0.19 0.28 0.56 0.00 0.00 179.97 180.67 1k9a h VAL 399 N -0.50 0.43 0.00 2.04 2.07 0.30 0.34 116.25 120.93 1k9a h VAL 399 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1k9a h VAL 399 Cb 0.38 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1k9a h VAL 399 CO 0.04 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.30 1k9a h GLU 400 N -0.11 0.00 -0.77 1.57 5.08 -0.72 0.41 114.58 120.04 1k9a h GLU 400 Ca 0.20 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1k9a h GLU 400 Cb 0.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1k9a h GLU 400 CO -0.48 0.00 0.07 1.63 -1.00 0.00 0.00 179.01 179.23 1k9a n LYS 401 N -2.79 3.29 -0.79 2.33 5.02 0.11 -4.88 118.16 120.44 1k9a n LYS 401 Ca -0.01 -2.06 0.00 0.00 -2.02 0.00 0.00 58.31 54.23 1k9a n LYS 401 Cb 0.17 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 1k9a n LYS 401 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k9a n GLY 402 N 0.25 0.82 3.74 0.72 0.00 0.14 -5.01 105.19 105.85 1k9a n GLY 402 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 1k9a n GLY 402 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1k9a s TYR 403 N -3.17 2.23 -0.17 1.61 5.04 -0.47 -4.95 117.35 117.48 1k9a s TYR 403 Ca 0.00 1.49 -0.11 0.00 -2.44 0.00 0.00 57.07 56.01 1k9a s TYR 403 Cb 0.00 -3.62 0.05 0.00 0.35 0.00 0.00 41.96 38.74 1k9a s TYR 403 CO 0.00 -2.63 0.41 0.15 -1.34 0.00 0.00 175.55 172.14 1k9a s LYS 404 N -3.30 0.42 0.83 4.97 1.02 -1.26 -4.48 119.74 117.93 1k9a s LYS 404 Ca 0.79 0.73 -0.14 0.00 0.02 0.00 0.00 55.97 57.38 1k9a s LYS 404 Cb -0.35 0.06 0.05 0.00 -0.52 0.00 0.00 37.83 37.07 1k9a s LYS 404 CO 0.38 -0.13 0.88 -1.33 -0.92 0.00 0.00 175.35 174.23 1k9a n MET 405 N 3.83 0.06 -2.94 1.68 2.81 -1.26 -4.97 117.12 116.33 1k9a n MET 405 Ca -0.20 0.09 -0.33 0.00 -1.81 0.00 0.00 57.70 55.45 1k9a n MET 405 Cb 0.56 -2.17 -0.06 0.00 -0.71 0.00 0.00 33.22 30.83 1k9a n MET 405 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1k9a s ASP 406 N -1.99 6.86 0.23 7.83 1.01 -1.26 -4.98 116.67 124.36 1k9a s ASP 406 Ca 0.68 1.51 -0.32 0.00 0.71 0.00 0.00 52.55 55.13 1k9a s ASP 406 Cb -0.28 -2.47 -0.14 0.00 1.01 0.00 0.00 42.92 41.04 1k9a s ASP 406 CO 0.56 -0.30 1.41 0.00 0.21 0.00 0.00 175.17 177.05 1k9a n ALA 407 N -0.57 1.00 -0.43 5.23 0.00 -1.26 -4.92 120.51 119.56 1k9a n ALA 407 Ca 0.05 0.42 -0.29 0.00 0.00 0.00 0.00 53.44 53.63 1k9a n ALA 407 Cb 0.54 -2.26 0.26 0.00 0.00 0.00 0.00 19.45 17.98 1k9a n ALA 407 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1k9a n PRO 408 N 2.13 -3.06 -2.18 0.00 -0.02 -1.26 -4.89 135.00 125.71 1k9a n PRO 408 Ca 0.12 -0.88 -0.42 0.00 -2.02 0.00 0.00 63.50 60.30 1k9a n PRO 408 Cb 0.31 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 1k9a n PRO 408 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1k9a s ASP 409 N -2.44 6.84 -0.72 2.55 -0.00 -1.26 -2.79 116.67 118.84 1k9a s ASP 409 Ca 0.65 2.30 0.00 0.00 -0.00 0.00 0.00 52.55 55.50 1k9a s ASP 409 Cb -0.19 -2.58 0.00 0.00 -0.00 0.00 0.00 42.92 40.14 1k9a s ASP 409 CO 0.62 -0.65 0.00 0.61 -0.00 0.00 0.00 175.17 175.75 1k9a n GLY 410 N 3.49 0.84 3.74 0.21 0.00 -1.26 -4.97 105.19 107.24 1k9a n GLY 410 Ca 0.11 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1k9a n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k9a s PRO 412 N -0.39 4.24 0.29 0.00 0.02 -1.26 -4.89 135.00 133.00 1k9a s PRO 412 Ca 0.49 2.33 0.03 0.00 0.02 0.00 0.00 61.00 63.88 1k9a s PRO 412 Cb -0.29 -3.13 0.66 0.00 0.02 0.00 0.00 34.50 31.76 1k9a s PRO 412 CO 0.35 -0.51 1.78 -1.35 -0.33 0.00 0.00 177.00 176.93 1k9a h PRO 413 N 5.84 0.73 -0.55 5.54 0.11 -1.94 0.36 132.00 142.09 1k9a h PRO 413 Ca -0.44 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1k9a h PRO 413 Cb 1.21 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1k9a h PRO 413 CO 0.84 0.48 0.18 0.00 -0.21 0.00 0.00 178.00 179.29 1k9a h ALA 414 N 1.61 1.27 -0.43 -0.75 0.00 -1.90 -1.21 119.26 117.86 1k9a h ALA 414 Ca 0.54 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.18 1k9a h ALA 414 Cb 0.78 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1k9a h ALA 414 CO -0.36 0.52 -0.07 0.28 0.00 0.00 0.00 179.25 179.62 1k9a h VAL 415 N 0.80 1.27 -0.22 0.00 2.07 -1.30 -2.63 116.25 116.23 1k9a h VAL 415 Ca 0.18 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 1k9a h VAL 415 Cb 0.23 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1k9a h VAL 415 CO -0.01 0.39 0.02 0.22 0.02 0.00 0.00 177.57 178.21 1k9a h TYR 416 N 0.62 0.33 0.00 1.57 3.20 -0.85 -1.29 116.97 120.55 1k9a h TYR 416 Ca 0.11 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 1k9a h TYR 416 Cb 0.58 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1k9a h TYR 416 CO 0.05 0.33 -0.26 -0.44 -1.64 0.00 0.00 178.16 176.19 1k9a h ASP 417 N 0.32 0.00 -0.05 -2.11 3.32 -0.89 0.22 116.42 117.23 1k9a h ASP 417 Ca 0.08 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1k9a h ASP 417 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1k9a h ASP 417 CO 0.00 0.26 -0.14 0.58 -1.72 0.00 0.00 179.24 178.23 1k9a h VAL 418 N 0.00 1.44 0.10 -1.35 2.07 -0.94 -0.85 116.25 116.72 1k9a h VAL 418 Ca -0.00 -1.51 0.01 0.00 0.82 0.00 0.00 66.70 66.02 1k9a h VAL 418 Cb 0.75 2.31 -0.05 0.00 -1.52 0.00 0.00 31.29 32.79 1k9a h VAL 418 CO 0.03 0.42 -0.50 0.24 0.02 0.00 0.00 177.57 177.78 1k9a h MET 419 N -0.35 -0.68 -0.89 1.57 2.86 -0.97 -0.93 114.93 115.55 1k9a h MET 419 Ca -0.00 0.05 0.18 0.00 -2.06 0.00 0.00 59.70 57.87 1k9a h MET 419 Cb 0.75 0.15 -0.11 0.00 0.06 0.00 0.00 31.60 32.45 1k9a h MET 419 CO 0.03 -0.45 0.45 0.87 1.06 0.00 0.00 176.91 178.87 1k9a h LYS 420 N -0.70 0.54 0.00 1.72 1.57 -0.98 0.73 116.57 119.44 1k9a h LYS 420 Ca -0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1k9a h LYS 420 Cb 0.71 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1k9a h LYS 420 CO -0.28 0.36 -0.08 -0.97 -0.57 0.00 0.00 179.45 177.91 1k9a h ASN 421 N 0.55 0.00 1.42 0.86 -1.24 -0.08 0.36 115.58 117.46 1k9a h ASN 421 Ca 0.52 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.43 1k9a h ASN 421 Cb 0.87 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.90 1k9a h ASN 421 CO -0.43 0.08 -0.47 0.00 -1.29 0.00 0.00 177.43 175.32 1k9a n TRP 423 N -3.26 1.12 -1.92 0.00 8.01 0.11 -4.15 117.44 117.36 1k9a n TRP 423 Ca 0.02 -0.40 -0.39 0.00 -1.31 0.00 0.00 57.50 55.41 1k9a n TRP 423 Cb 0.70 -0.29 0.01 0.00 -2.01 0.00 0.00 31.31 29.72 1k9a n TRP 423 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 1k9a s HIS 424 N -1.94 2.59 0.26 -5.99 3.76 -1.20 -4.89 115.29 107.89 1k9a s HIS 424 Ca 0.31 1.35 0.12 0.00 -0.15 0.00 0.00 55.06 56.69 1k9a s HIS 424 Cb 0.23 -3.78 0.45 0.00 1.11 0.00 0.00 32.58 30.58 1k9a s HIS 424 CO 0.11 -2.54 1.65 -0.07 -0.85 0.00 0.00 174.74 173.04 1k9a h LEU 425 N 2.32 0.00 -8.03 0.89 3.38 -1.95 -3.38 115.31 108.55 1k9a h LEU 425 Ca -0.50 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 56.78 1k9a h LEU 425 Cb 1.26 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.83 1k9a h LEU 425 CO 0.61 0.55 0.65 -0.62 0.09 0.00 0.00 178.44 179.73 1k9a s ASP 426 N -6.77 6.52 0.18 -0.43 2.15 -1.26 -4.92 116.67 112.14 1k9a s ASP 426 Ca -0.01 -1.87 -0.02 0.00 0.43 0.00 0.00 52.55 51.08 1k9a s ASP 426 Cb 0.12 -2.38 0.37 0.00 -0.30 0.00 0.00 42.92 40.74 1k9a s ASP 426 CO 0.74 -1.09 0.94 0.00 -0.17 0.00 0.00 175.17 175.60 1k9a n ALA 427 N 6.50 0.23 0.28 3.66 0.00 -1.26 -0.18 120.51 129.73 1k9a n ALA 427 Ca 0.15 0.66 0.16 0.00 0.00 0.00 0.00 53.44 54.41 1k9a n ALA 427 Cb 0.48 -0.44 0.93 0.00 0.00 0.00 0.00 19.45 20.42 1k9a n ALA 427 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k9a h ALA 428 N 1.21 1.53 0.00 0.00 0.00 -1.95 0.35 119.26 120.41 1k9a h ALA 428 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1k9a h ALA 428 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1k9a h ALA 428 CO -0.59 -0.07 0.00 2.41 0.00 0.00 0.00 179.25 180.99 1k9a n THR 429 N -3.74 0.45 -2.25 0.00 -1.04 0.74 -4.87 114.28 103.58 1k9a n THR 429 Ca -0.02 -0.19 -0.36 0.00 -2.04 0.00 0.00 64.05 61.44 1k9a n THR 429 Cb 0.14 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.07 1k9a n THR 429 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1k9a s ARG 430 N -3.08 3.44 0.78 -2.82 0.52 0.11 -4.99 118.95 112.91 1k9a s ARG 430 Ca 0.11 1.67 -0.10 0.00 -0.52 0.00 0.00 55.73 56.88 1k9a s ARG 430 Cb 0.14 -2.10 0.06 0.00 0.52 0.00 0.00 34.95 33.57 1k9a s ARG 430 CO 0.57 -0.79 1.09 -1.25 0.02 0.00 0.00 175.30 174.94 1k9a s PRO 431 N -3.14 2.16 0.62 3.54 0.04 -1.26 -5.04 135.00 131.91 1k9a s PRO 431 Ca 0.71 1.18 -0.10 0.00 0.04 0.00 0.00 61.00 62.83 1k9a s PRO 431 Cb -0.25 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 1k9a s PRO 431 CO 0.29 -1.72 1.01 0.99 0.04 0.00 0.00 177.00 177.61 1k9a s THR 432 N -2.89 4.54 0.29 1.26 2.01 -1.26 -4.90 115.64 114.69 1k9a s THR 432 Ca 0.62 0.73 0.06 0.00 0.31 0.00 0.00 61.69 63.40 1k9a s THR 432 Cb -0.17 -3.81 0.03 0.00 0.01 0.00 0.00 72.50 68.56 1k9a s THR 432 CO 0.56 -1.03 1.69 -0.26 -0.69 0.00 0.00 174.62 174.89 1k9a h PHE 433 N -0.30 0.31 -0.72 4.92 -1.00 -1.94 0.38 116.94 118.59 1k9a h PHE 433 Ca -0.44 -0.09 -0.07 0.00 2.81 0.00 0.00 57.97 60.18 1k9a h PHE 433 Cb 1.20 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 40.66 1k9a h PHE 433 CO 0.63 0.65 0.19 1.25 -1.61 0.00 0.00 178.31 179.41 1k9a h LEU 434 N 0.22 1.09 -1.19 1.54 6.46 -1.92 0.13 115.31 121.64 1k9a h LEU 434 Ca 0.02 -0.23 -0.08 0.00 -0.12 0.00 0.00 57.88 57.47 1k9a h LEU 434 Cb 0.83 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 1k9a h LEU 434 CO 0.07 1.03 -0.40 1.56 -0.62 0.00 0.00 178.44 180.08 1k9a h GLN 435 N 1.09 0.00 -0.23 1.25 4.20 -1.78 -0.81 115.11 118.83 1k9a h GLN 435 Ca 0.23 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.84 1k9a h GLN 435 Cb 0.36 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1k9a h GLN 435 CO 0.00 0.40 -0.25 -0.07 -0.67 0.00 0.00 178.83 178.23 1k9a h LEU 436 N 0.00 0.63 -0.12 1.46 3.38 -0.16 -2.22 115.31 118.28 1k9a h LEU 436 Ca -0.00 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 1k9a h LEU 436 Cb 0.73 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1k9a h LEU 436 CO 0.05 0.98 0.07 -0.09 0.09 0.00 0.00 178.44 179.55 1k9a h ARG 437 N 0.28 0.16 -0.69 1.13 2.43 -0.33 -0.94 114.38 116.42 1k9a h ARG 437 Ca 0.03 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 1k9a h ARG 437 Cb 0.81 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.26 1k9a h ARG 437 CO 0.06 0.15 0.33 0.93 -1.51 0.00 0.00 179.97 179.92 1k9a h GLU 438 N 0.13 0.54 -0.12 0.20 4.39 -1.17 0.13 114.58 118.68 1k9a h GLU 438 Ca 0.04 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.56 1k9a h GLU 438 Cb 0.03 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1k9a h GLU 438 CO -0.01 0.36 -0.56 0.37 -1.16 0.00 0.00 179.01 178.01 1k9a h GLN 439 N 0.55 0.38 -0.17 2.33 5.75 -1.05 0.29 115.11 123.19 1k9a h GLN 439 Ca 0.34 -0.24 -0.12 0.00 -0.15 0.00 0.00 58.65 58.48 1k9a h GLN 439 Cb 0.38 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 1k9a h GLN 439 CO -0.28 0.84 -0.42 -0.07 -2.65 0.00 0.00 178.83 176.25 1k9a h LEU 440 N 0.29 0.42 -0.52 -2.39 3.38 -0.67 -0.51 115.31 115.31 1k9a h LEU 440 Ca 0.00 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.62 1k9a h LEU 440 Cb 1.07 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1k9a h LEU 440 CO 0.09 0.79 -0.65 -0.33 0.09 0.00 0.00 178.44 178.44 1k9a h GLU 441 N 0.33 0.36 -0.29 1.13 5.08 -0.41 -0.75 114.58 120.03 1k9a h GLU 441 Ca 0.03 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 1k9a h GLU 441 Cb 0.88 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1k9a h GLU 441 CO 0.07 0.88 -0.22 1.25 -1.00 0.00 0.00 179.01 180.00 1k9a h HIS 442 N 0.26 0.60 -0.11 4.33 2.76 0.04 0.79 115.15 123.82 1k9a h HIS 442 Ca -0.01 -0.12 -0.03 0.00 -2.20 0.00 0.00 60.37 58.00 1k9a h HIS 442 Cb 1.19 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 30.00 1k9a h HIS 442 CO 0.03 0.72 -0.05 0.82 -1.30 0.00 0.00 177.93 178.15 1k9a h ILE 443 N 0.48 1.32 -0.40 6.26 2.04 -0.84 -2.93 117.51 123.45 1k9a h ILE 443 Ca 0.07 -1.08 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 1k9a h ILE 443 Cb 0.64 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1k9a h ILE 443 CO 0.05 0.31 0.20 -0.09 0.00 0.00 0.00 178.15 178.61 1k9a h ARG 444 N -0.14 0.57 -0.48 2.37 2.43 -0.95 0.38 114.38 118.57 1k9a h ARG 444 Ca 0.02 -0.08 0.09 0.00 -0.81 0.00 0.00 59.98 59.20 1k9a h ARG 444 Cb 0.51 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1k9a h ARG 444 CO 0.02 0.50 0.33 1.15 -1.51 0.00 0.00 179.97 180.45 1k9a h THR 445 N 0.51 0.89 -0.45 0.20 2.02 -0.85 -1.09 112.91 114.15 1k9a h THR 445 Ca 0.14 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1k9a h THR 445 Cb 0.11 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1k9a h THR 445 CO -0.02 0.05 0.00 1.41 0.37 0.00 0.00 175.52 177.33 1k9a n HIS 446 N -4.46 0.60 -3.53 3.16 8.25 -1.09 -4.97 115.22 113.18 1k9a n HIS 446 Ca 0.07 -0.47 -0.26 0.00 -0.26 0.00 0.00 57.72 56.80 1k9a n HIS 446 Cb 0.35 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.46 1k9a n HIS 446 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1k9a n GLU 447 N 0.88 -4.55 0.00 -0.41 1.02 -0.25 -4.82 120.64 112.51 1k9a n GLU 447 Ca 0.15 0.61 0.07 0.00 -0.02 0.00 0.00 57.16 57.97 1k9a n GLU 447 Cb 0.48 -5.42 0.42 0.00 -0.02 0.00 0.00 31.44 26.90 1k9a n GLU 447 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1k9a n LEU 448 N -4.18 0.00 -0.24 -4.62 4.77 -0.04 -2.30 117.00 110.38 1k9a n LEU 448 Ca -0.01 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.04 1k9a n LEU 448 Cb 0.55 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1k9a n LEU 448 CO 0.61 0.00 0.17 0.00 -1.33 0.00 0.00 177.39 176.84 1k9a n HIS 449 N -0.89 0.00 0.68 -1.77 1.44 -1.26 -4.68 115.22 108.75 1k9a n HIS 449 Ca 0.11 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.90 1k9a n HIS 449 Cb 0.05 0.00 0.07 0.00 0.12 0.00 0.00 29.99 30.23 1k9a n HIS 449 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81