#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9a n SER 7 N 0.00 1.16 -4.74 0.00 3.41 -1.26 -4.90 113.62 107.29 1k9a n SER 7 Ca 0.00 0.82 -0.42 0.00 -0.26 0.00 0.00 58.87 59.01 1k9a n SER 7 Cb 0.00 -1.44 -0.02 0.00 -0.26 0.00 0.00 64.21 62.49 1k9a n SER 7 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1k9a s TRP 8 N -1.47 2.87 0.57 7.33 0.51 -1.26 -4.97 118.94 122.52 1k9a s TRP 8 Ca 0.77 0.65 -0.19 0.00 -2.12 0.00 0.00 56.10 55.21 1k9a s TRP 8 Cb -0.41 -4.04 -0.05 0.00 -0.81 0.00 0.00 33.47 28.16 1k9a s TRP 8 CO 0.45 -3.70 1.16 -2.14 -0.51 0.00 0.00 176.95 172.21 1k9a s PRO 9 N 0.28 3.20 0.26 4.98 0.02 -1.26 -4.70 135.00 137.77 1k9a s PRO 9 Ca 0.67 1.68 -0.31 0.00 0.02 0.00 0.00 61.00 63.07 1k9a s PRO 9 Cb -0.47 -1.98 -0.13 0.00 0.02 0.00 0.00 34.50 31.94 1k9a s PRO 9 CO 0.40 -0.99 1.41 0.45 -0.33 0.00 0.00 177.00 177.94 1k9a n SER 10 N -1.44 2.87 0.00 2.53 2.88 -1.26 -1.83 113.62 117.37 1k9a n SER 10 Ca 0.12 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 1k9a n SER 10 Cb 0.50 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 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 1.94 0.46 3.77 0.46 0.00 0.11 -5.00 105.19 106.92 1k9a n GLY 11 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.18 3.48 -0.21 2.61 2.01 -0.76 -4.75 115.64 115.84 1k9a s THR 12 Ca 0.00 1.31 -0.09 0.00 0.31 0.00 0.00 61.69 63.23 1k9a s THR 12 Cb 0.00 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1k9a s THR 12 CO 0.00 0.18 0.10 -1.61 -0.69 0.00 0.00 174.62 172.60 1k9a s GLU 13 N -1.98 4.00 0.11 4.92 2.02 -1.26 -0.56 118.70 125.94 1k9a s GLU 13 Ca 0.52 -0.32 0.10 0.00 0.02 0.00 0.00 54.97 55.29 1k9a s GLU 13 Cb -0.28 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 1k9a s GLU 13 CO 0.36 0.18 -0.26 0.00 0.02 0.00 0.00 175.26 175.56 1k9a s ILE 15 N -1.02 4.15 0.01 0.00 -1.09 0.28 -0.52 121.20 123.03 1k9a s ILE 15 Ca 0.13 -0.30 -0.30 0.00 -2.23 0.00 0.00 60.65 57.95 1k9a s ILE 15 Cb -0.10 -2.76 -0.06 0.00 -1.58 0.00 0.00 42.46 37.96 1k9a s ILE 15 CO 0.05 0.57 1.44 0.00 -1.23 0.00 0.00 174.94 175.77 1k9a s ALA 16 N -0.53 3.60 -0.07 9.38 0.00 0.04 0.24 121.76 134.42 1k9a s ALA 16 Ca 0.09 0.94 -0.19 0.00 0.00 0.00 0.00 51.96 52.80 1k9a s ALA 16 Cb -0.12 -3.61 -0.30 0.00 0.00 0.00 0.00 23.12 19.10 1k9a s ALA 16 CO 0.02 -0.93 0.74 0.87 0.00 0.00 0.00 175.76 176.46 1k9a h LYS 17 N 7.87 0.28 0.00 0.00 1.57 -0.53 0.50 116.57 126.26 1k9a h LYS 17 Ca -0.39 -0.48 -0.26 0.00 -1.87 0.00 0.00 60.65 57.65 1k9a h LYS 17 Cb 1.18 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.62 1k9a h LYS 17 CO 0.91 1.23 -0.20 0.66 -0.57 0.00 0.00 179.45 181.47 1k9a n TYR 18 N -4.03 0.35 -3.29 -1.35 4.01 -1.23 -4.64 117.16 106.98 1k9a n TYR 18 Ca -0.19 -1.07 -0.30 0.00 -0.16 0.00 0.00 57.90 56.18 1k9a n TYR 18 Cb 0.87 -0.10 -0.04 0.00 -0.31 0.00 0.00 39.34 39.76 1k9a n TYR 18 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1k9a s ASN 19 N -2.14 6.50 -0.14 7.72 0.01 -1.26 -2.94 114.94 122.69 1k9a s ASN 19 Ca 0.03 0.82 -0.02 0.00 -0.71 0.00 0.00 52.86 52.98 1k9a s ASN 19 Cb 0.00 -2.19 0.04 0.00 0.41 0.00 0.00 41.25 39.52 1k9a s ASN 19 CO 0.02 -0.19 0.00 0.12 -1.51 0.00 0.00 177.10 175.54 1k9a s PHE 20 N -2.06 1.04 -1.86 2.20 5.36 -0.02 -4.93 117.98 117.71 1k9a s PHE 20 Ca 0.46 -0.65 0.26 0.00 -0.96 0.00 0.00 56.93 56.04 1k9a s PHE 20 Cb -0.11 -1.01 0.70 0.00 -0.34 0.00 0.00 43.02 42.27 1k9a s PHE 20 CO 0.28 -0.51 1.53 0.72 -1.46 0.00 0.00 175.22 175.78 1k9a n HIS 21 N 5.05 0.00 0.00 10.12 8.25 -1.26 -1.57 115.22 135.81 1k9a n HIS 21 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1k9a n HIS 21 Cb 0.48 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 1.33 -0.53 0.00 -1.41 0.00 -1.26 -4.81 105.19 98.51 1k9a n GLY 22 Ca 0.12 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.20 0.00 -3.73 2.61 -2.24 -1.26 -5.10 114.28 104.35 1k9a n THR 23 Ca 0.00 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 1k9a n THR 23 Cb 0.00 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.30 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 -0.29 -1.17 0.26 6.98 0.00 -1.26 -5.04 121.76 121.24 1k9a s ALA 24 Ca 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 51.96 51.80 1k9a s ALA 24 Cb 0.00 0.87 0.46 0.00 0.00 0.00 0.00 23.12 24.46 1k9a s ALA 24 CO 0.00 -0.90 1.80 0.93 0.00 0.00 0.00 175.76 177.59 1k9a h GLU 25 N 2.07 0.75 0.00 0.00 4.39 -2.02 -1.30 114.58 118.47 1k9a h GLU 25 Ca -0.26 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 1k9a h GLU 25 Cb 1.27 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1k9a h GLU 25 CO 0.31 0.49 -0.01 -0.56 -1.16 0.00 0.00 179.01 178.09 1k9a h GLN 26 N 0.77 0.00 -7.01 2.33 3.07 -1.96 -3.45 115.11 108.85 1k9a h GLN 26 Ca 0.43 0.00 -0.52 0.00 0.09 0.00 0.00 58.65 58.65 1k9a h GLN 26 Cb 0.47 0.00 0.09 0.00 0.08 0.00 0.00 27.48 28.12 1k9a h GLN 26 CO -0.28 0.01 0.52 -0.51 0.09 0.00 0.00 178.83 178.65 1k9a s ASP 27 N -5.46 5.90 -0.40 0.06 1.11 -0.49 -1.30 116.67 116.09 1k9a s ASP 27 Ca -0.02 2.45 -0.08 0.00 0.18 0.00 0.00 52.55 55.08 1k9a s ASP 27 Cb 0.11 -2.61 0.08 0.00 1.07 0.00 0.00 42.92 41.56 1k9a s ASP 27 CO 0.48 -1.11 0.23 -0.22 1.18 0.00 0.00 175.17 175.73 1k9a s LEU 28 N -3.17 5.02 0.83 1.23 2.96 -0.26 -4.63 118.68 120.66 1k9a s LEU 28 Ca 0.66 -1.50 -0.11 0.00 -0.22 0.00 0.00 54.13 52.96 1k9a s LEU 28 Cb -0.32 -1.95 0.09 0.00 0.50 0.00 0.00 46.19 44.51 1k9a s LEU 28 CO 0.39 -0.50 1.13 -2.84 -1.32 0.00 0.00 176.35 173.20 1k9a s PRO 29 N 1.39 1.69 -0.10 0.98 0.02 -1.26 -4.77 135.00 132.95 1k9a s PRO 29 Ca 0.03 1.40 -0.30 0.00 0.02 0.00 0.00 61.00 62.15 1k9a s PRO 29 Cb -0.22 -1.82 0.11 0.00 0.02 0.00 0.00 34.50 32.59 1k9a s PRO 29 CO 0.01 -2.10 0.92 -0.59 -0.33 0.00 0.00 177.00 174.91 1k9a s PHE 30 N -2.69 -0.40 0.05 6.54 -0.12 -0.61 -4.99 117.98 115.76 1k9a s PHE 30 Ca 0.65 0.56 -0.05 0.00 -0.05 0.00 0.00 56.93 58.04 1k9a s PHE 30 Cb -0.21 0.47 -0.05 0.00 -0.63 0.00 0.00 43.02 42.61 1k9a s PHE 30 CO 0.55 -0.44 0.29 0.00 -0.05 0.00 0.00 175.22 175.57 1k9a n LYS 32 N 0.77 0.96 0.00 0.00 4.81 -1.15 -1.07 118.16 122.48 1k9a n LYS 32 Ca -0.08 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 1k9a n LYS 32 Cb 0.52 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 33.91 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 1.60 3.19 3.71 3.14 0.00 0.17 -4.92 105.19 112.09 1k9a n GLY 33 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.94 4.01 -0.22 1.61 1.11 -0.23 -4.43 116.67 117.58 1k9a s ASP 34 Ca 0.00 2.48 -0.11 0.00 0.18 0.00 0.00 52.55 55.10 1k9a s ASP 34 Cb 0.00 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.34 1k9a s ASP 34 CO 0.00 -2.39 0.19 -0.69 1.18 0.00 0.00 175.17 173.46 1k9a s VAL 35 N -1.82 5.35 -0.06 -1.27 1.01 -1.26 -0.78 120.40 121.57 1k9a s VAL 35 Ca 0.77 0.27 0.06 0.00 0.00 0.00 0.00 61.98 63.08 1k9a s VAL 35 Cb -0.33 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1k9a s VAL 35 CO 0.46 0.36 -0.24 -0.76 0.00 0.00 0.00 175.10 174.91 1k9a s LEU 36 N 0.91 2.12 -0.32 3.92 1.43 0.33 -4.00 118.68 123.06 1k9a s LEU 36 Ca 0.10 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 1k9a s LEU 36 Cb -0.13 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 1k9a s LEU 36 CO 0.04 0.24 0.22 -0.89 0.23 0.00 0.00 176.35 176.18 1k9a s THR 37 N -0.12 5.19 0.13 5.49 2.01 0.15 -1.20 115.64 127.29 1k9a s THR 37 Ca -0.05 -0.17 -0.31 0.00 0.31 0.00 0.00 61.69 61.47 1k9a s THR 37 Cb -0.14 -3.63 -0.10 0.00 0.01 0.00 0.00 72.50 68.65 1k9a s THR 37 CO 0.04 0.05 1.64 -0.63 -0.69 0.00 0.00 174.62 175.04 1k9a s ILE 38 N 1.71 2.70 -0.07 1.82 -1.09 0.28 -1.08 121.20 125.47 1k9a s ILE 38 Ca 0.06 0.37 -0.06 0.00 -2.23 0.00 0.00 60.65 58.79 1k9a s ILE 38 Cb -0.17 -3.24 -0.02 0.00 -1.58 0.00 0.00 42.46 37.45 1k9a s ILE 38 CO 0.10 0.02 -0.12 0.52 -1.23 0.00 0.00 174.94 174.23 1k9a n VAL 39 N 4.32 0.64 -3.63 2.92 0.31 0.51 0.09 118.33 123.48 1k9a n VAL 39 Ca 0.15 0.36 -0.13 0.00 -0.01 0.00 0.00 64.34 64.71 1k9a n VAL 39 Cb 0.39 -1.88 -0.06 0.00 -0.91 0.00 0.00 33.84 31.38 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 -2.92 -1.11 0.49 3.52 0.00 -1.12 -4.15 121.76 116.46 1k9a s ALA 40 Ca -0.10 0.39 -0.12 0.00 0.00 0.00 0.00 51.96 52.13 1k9a s ALA 40 Cb 0.01 0.38 -0.06 0.00 0.00 0.00 0.00 23.12 23.45 1k9a s ALA 40 CO 0.14 -0.48 0.89 0.54 0.00 0.00 0.00 175.76 176.84 1k9a s VAL 41 N -2.54 4.71 0.24 0.00 0.11 -1.26 -0.30 120.40 121.36 1k9a s VAL 41 Ca -0.05 0.80 0.03 0.00 -2.93 0.00 0.00 61.98 59.83 1k9a s VAL 41 Cb -0.01 -3.77 0.04 0.00 -1.53 0.00 0.00 36.38 31.11 1k9a s VAL 41 CO -0.03 -0.73 0.33 0.35 -3.33 0.00 0.00 175.10 171.70 1k9a n THR 42 N -1.77 0.00 0.07 5.04 -2.24 -0.58 -4.83 114.28 109.97 1k9a n THR 42 Ca 0.04 -0.75 0.04 0.00 -2.27 0.00 0.00 64.05 61.11 1k9a n THR 42 Cb 0.54 -0.86 0.44 0.00 -2.10 0.00 0.00 70.33 68.34 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 0.37 -4.96 -0.78 1.79 -1.98 -3.37 116.57 107.64 1k9a h LYS 43 Ca -0.11 -0.04 -0.67 0.00 -2.18 0.00 0.00 60.65 57.65 1k9a h LYS 43 Cb 0.50 -0.07 -0.17 0.00 -1.58 0.00 0.00 32.23 30.90 1k9a h LYS 43 CO 0.15 0.33 -0.25 0.34 -1.08 0.00 0.00 179.45 178.94 1k9a s ASP 44 N -6.81 6.20 0.66 0.86 -1.08 -1.26 -4.95 116.67 110.29 1k9a s ASP 44 Ca -0.07 -0.30 0.27 0.00 -0.52 0.00 0.00 52.55 51.93 1k9a s ASP 44 Cb 0.17 -2.21 1.47 0.00 -1.46 0.00 0.00 42.92 40.88 1k9a s ASP 44 CO 0.73 -0.40 1.83 -0.65 0.52 0.00 0.00 175.17 177.19 1k9a h PRO 45 N 8.52 0.00 -0.00 4.34 0.11 -1.99 0.13 132.00 143.10 1k9a h PRO 45 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1k9a h PRO 45 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1k9a h PRO 45 CO 0.72 0.00 -0.01 0.09 -0.21 0.00 0.00 178.00 178.59 1k9a n ASN 46 N -2.87 0.26 -3.96 -2.05 3.02 -1.26 -4.79 115.26 103.60 1k9a n ASN 46 Ca -0.02 -0.93 -0.15 0.00 -0.03 0.00 0.00 54.58 53.46 1k9a n ASN 46 Cb 0.45 -0.04 -0.14 0.00 -0.61 0.00 0.00 39.78 39.44 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 -2.11 0.45 0.20 3.10 0.52 0.47 -1.31 118.94 120.26 1k9a s TRP 47 Ca 0.42 -0.14 0.08 0.00 0.02 0.00 0.00 56.10 56.49 1k9a s TRP 47 Cb 0.21 -0.29 -0.05 0.00 -1.15 0.00 0.00 33.47 32.20 1k9a s TRP 47 CO 0.39 -0.02 -0.16 0.71 0.02 0.00 0.00 176.95 177.89 1k9a s TYR 48 N -0.28 1.77 -0.15 -1.98 1.51 -0.09 -1.53 117.35 116.60 1k9a s TYR 48 Ca 0.00 -0.53 -0.10 0.00 -1.01 0.00 0.00 57.07 55.43 1k9a s TYR 48 Cb -0.03 -0.83 -0.05 0.00 -0.11 0.00 0.00 41.96 40.95 1k9a s TYR 48 CO -0.00 0.38 0.18 0.21 -1.11 0.00 0.00 175.55 175.21 1k9a s LYS 49 N -3.47 3.87 0.17 -0.62 2.20 0.59 -0.06 119.74 122.42 1k9a s LYS 49 Ca 0.22 -0.09 -0.11 0.00 -0.36 0.00 0.00 55.97 55.63 1k9a s LYS 49 Cb -0.02 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1k9a s LYS 49 CO 0.07 0.52 0.34 0.00 -0.36 0.00 0.00 175.35 175.92 1k9a s ALA 50 N -0.30 -0.23 0.10 3.13 0.00 0.85 -0.36 121.76 124.95 1k9a s ALA 50 Ca 0.13 -0.73 0.09 0.00 0.00 0.00 0.00 51.96 51.45 1k9a s ALA 50 Cb -0.12 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 1k9a s ALA 50 CO 0.02 -0.68 -0.18 0.15 0.00 0.00 0.00 175.76 175.07 1k9a s LYS 51 N -3.94 1.84 0.50 0.00 1.02 -0.24 -1.11 119.74 117.80 1k9a s LYS 51 Ca 0.15 -1.14 0.07 0.00 0.02 0.00 0.00 55.97 55.07 1k9a s LYS 51 Cb 0.02 -2.13 0.03 0.00 -0.52 0.00 0.00 37.83 35.23 1k9a s LYS 51 CO -0.01 0.49 0.47 0.54 -0.92 0.00 0.00 175.35 175.93 1k9a s ASN 52 N -2.01 4.89 0.57 2.83 4.22 -0.25 -0.68 114.94 124.50 1k9a s ASN 52 Ca 0.17 -0.98 0.41 0.00 -2.14 0.00 0.00 52.86 50.33 1k9a s ASN 52 Cb -0.11 0.02 1.52 0.00 1.28 0.00 0.00 41.25 43.96 1k9a s ASN 52 CO 0.09 -0.98 1.59 0.07 -2.04 0.00 0.00 177.10 175.83 1k9a h LYS 53 N 0.74 0.00 -0.25 3.55 2.10 -1.92 0.67 116.57 121.46 1k9a h LYS 53 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1k9a h LYS 53 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1k9a h LYS 53 CO 0.54 0.00 0.00 1.33 -2.00 0.00 0.00 179.45 179.32 1k9a n VAL 54 N -3.84 0.32 -0.00 0.07 0.24 -1.26 -4.97 118.33 108.89 1k9a n VAL 54 Ca 0.34 -0.66 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1k9a n VAL 54 Cb 1.66 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 35.19 1k9a n VAL 54 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k9a n GLY 55 N 1.37 0.09 3.76 7.63 0.00 0.23 -5.06 105.19 113.22 1k9a n GLY 55 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1k9a n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k9a s ARG 56 N -0.99 3.51 0.08 1.61 0.52 -1.26 -4.62 118.95 117.80 1k9a s ARG 56 Ca 0.00 2.21 0.10 0.00 -0.52 0.00 0.00 55.73 57.52 1k9a s ARG 56 Cb 0.00 -2.47 -0.03 0.00 0.52 0.00 0.00 34.95 32.97 1k9a s ARG 56 CO 0.00 -0.88 -0.27 -2.00 0.02 0.00 0.00 175.30 172.17 1k9a s GLU 57 N -2.64 1.64 -0.03 3.54 2.12 -1.25 -1.09 118.70 120.98 1k9a s GLU 57 Ca 0.65 -1.20 -0.20 0.00 0.36 0.00 0.00 54.97 54.58 1k9a s GLU 57 Cb -0.39 -1.94 0.06 0.00 0.26 0.00 0.00 34.13 32.12 1k9a s GLU 57 CO 0.48 0.49 0.88 0.41 -0.54 0.00 0.00 175.26 176.98 1k9a n GLY 58 N 1.44 0.29 3.79 -1.50 0.00 -0.27 -4.85 105.19 104.09 1k9a n GLY 58 Ca -0.17 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 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 -2.04 5.12 0.08 -0.61 -1.09 -0.42 -0.11 121.20 122.14 1k9a s ILE 59 Ca 0.21 0.80 0.05 0.00 -2.23 0.00 0.00 60.65 59.49 1k9a s ILE 59 Cb -0.00 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.13 1k9a s ILE 59 CO -0.01 0.49 -0.14 0.27 -1.23 0.00 0.00 174.94 174.32 1k9a s ILE 60 N -0.44 1.16 -0.11 2.92 -4.36 0.91 -1.11 121.20 120.17 1k9a s ILE 60 Ca 0.23 -1.40 -0.23 0.00 -0.26 0.00 0.00 60.65 58.99 1k9a s ILE 60 Cb -0.16 -1.18 -0.03 0.00 1.25 0.00 0.00 42.46 42.34 1k9a s ILE 60 CO 0.11 -0.27 0.68 -2.16 0.24 0.00 0.00 174.94 173.54 1k9a s PRO 61 N -1.96 4.37 0.18 0.37 0.04 -1.26 -0.92 135.00 135.82 1k9a s PRO 61 Ca 0.01 0.81 -0.19 0.00 0.04 0.00 0.00 61.00 61.67 1k9a s PRO 61 Cb -0.09 -3.49 0.14 0.00 0.04 0.00 0.00 34.50 31.10 1k9a s PRO 61 CO 0.02 -0.04 1.62 0.00 0.04 0.00 0.00 177.00 178.64 1k9a h ALA 62 N 6.97 0.11 0.00 8.56 0.00 -1.51 -1.22 119.26 132.17 1k9a h ALA 62 Ca -0.38 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1k9a h ALA 62 Cb 1.18 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1k9a h ALA 62 CO 0.77 -0.58 0.08 -1.71 0.00 0.00 0.00 179.25 177.82 1k9a n ASN 63 N -5.41 0.25 0.02 0.00 5.15 -1.26 -1.53 115.26 112.47 1k9a n ASN 63 Ca 0.04 0.56 0.12 0.00 -0.60 0.00 0.00 54.58 54.70 1k9a n ASN 63 Cb 0.32 -0.58 0.15 0.00 -0.53 0.00 0.00 39.78 39.14 1k9a n ASN 63 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1k9a n TYR 64 N -1.81 0.16 -4.34 1.20 4.02 -0.46 -4.94 117.16 110.99 1k9a n TYR 64 Ca -0.01 0.05 -0.18 0.00 -0.01 0.00 0.00 57.90 57.75 1k9a n TYR 64 Cb 0.10 -0.35 -0.10 0.00 -0.02 0.00 0.00 39.34 38.97 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 -3.08 1.58 -0.05 -0.72 -7.23 -0.58 0.26 120.40 110.58 1k9a s VAL 65 Ca 0.08 -2.16 0.03 0.00 -1.81 0.00 0.00 61.98 58.11 1k9a s VAL 65 Cb 0.16 -2.07 0.01 0.00 0.56 0.00 0.00 36.38 35.04 1k9a s VAL 65 CO 0.74 -0.58 -0.13 -1.58 -0.31 0.00 0.00 175.10 173.25 1k9a s GLN 66 N -3.69 1.60 0.04 4.82 0.74 0.14 -4.85 119.66 118.46 1k9a s GLN 66 Ca 0.22 -0.44 -0.30 0.00 0.05 0.00 0.00 55.36 54.89 1k9a s GLN 66 Cb 0.01 -1.36 -0.08 0.00 1.10 0.00 0.00 33.01 32.68 1k9a s GLN 66 CO 0.06 0.10 1.71 0.21 -0.55 0.00 0.00 175.29 176.82 1k9a s LYS 67 N 0.43 4.18 -0.22 1.67 2.20 -1.26 0.10 119.74 126.84 1k9a s LYS 67 Ca -0.10 2.36 -0.19 0.00 -0.36 0.00 0.00 55.97 57.67 1k9a s LYS 67 Cb -0.14 -3.78 -0.03 0.00 -1.51 0.00 0.00 37.83 32.37 1k9a s LYS 67 CO 0.03 -0.80 0.57 0.50 -0.36 0.00 0.00 175.35 175.29 1k9a s ARG 68 N 3.28 4.17 0.19 4.03 3.52 -0.22 -3.82 118.95 130.10 1k9a s ARG 68 Ca 0.77 0.49 0.00 0.00 -0.13 0.00 0.00 55.73 56.86 1k9a s ARG 68 Cb -0.39 -3.59 -0.04 0.00 -1.56 0.00 0.00 34.95 29.36 1k9a s ARG 68 CO 0.33 -0.25 0.08 -1.83 -0.81 0.00 0.00 175.30 172.83 1k9a s GLU 69 N 1.95 1.16 0.42 5.12 -1.05 -0.28 -4.70 118.70 121.32 1k9a s GLU 69 Ca 0.26 -1.59 -0.24 0.00 -0.15 0.00 0.00 54.97 53.24 1k9a s GLU 69 Cb -0.16 0.04 -0.08 0.00 -0.44 0.00 0.00 34.13 33.49 1k9a s GLU 69 CO 0.10 -0.28 1.18 0.20 0.95 0.00 0.00 175.26 177.40 1k9a s GLY 70 N -3.17 2.84 -0.30 -3.83 0.00 -1.26 -4.81 107.32 96.79 1k9a s GLY 70 Ca 0.32 0.97 -0.09 0.00 0.00 0.00 0.00 44.72 45.92 1k9a s GLY 70 CO 0.08 1.47 0.13 0.14 0.00 0.00 0.00 173.10 174.92 1k9a s VAL 71 N -1.45 4.51 -1.88 1.40 1.01 -1.26 -4.95 120.40 117.77 1k9a s VAL 71 Ca 0.59 -0.38 0.18 0.00 0.00 0.00 0.00 61.98 62.37 1k9a s VAL 71 Cb -0.30 -3.26 0.05 0.00 0.00 0.00 0.00 36.38 32.86 1k9a s VAL 71 CO 0.38 0.12 0.98 0.29 0.00 0.00 0.00 175.10 176.87 1k9a n LYS 72 N 4.96 1.58 0.08 2.72 5.02 -1.26 -4.52 118.16 126.74 1k9a n LYS 72 Ca -0.14 -1.13 0.17 0.00 -2.02 0.00 0.00 58.31 55.19 1k9a n LYS 72 Cb 0.49 -1.34 0.46 0.00 -0.02 0.00 0.00 35.03 34.63 1k9a n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k9a h ALA 73 N 3.30 2.27 -0.58 7.82 0.00 -1.95 -3.45 119.26 126.67 1k9a h ALA 73 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1k9a h ALA 73 Cb 0.67 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1k9a h ALA 73 CO 0.00 -1.09 0.00 0.41 0.00 0.00 0.00 179.25 178.57 1k9a n GLY 74 N -1.53 3.29 0.04 0.00 0.00 -1.26 -1.67 105.19 104.05 1k9a n GLY 74 Ca 0.10 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.28 1k9a n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k9a n THR 75 N 0.00 0.75 1.87 2.61 -2.24 -1.26 -2.89 114.28 113.12 1k9a n THR 75 Ca 0.00 0.16 0.09 0.00 -2.27 0.00 0.00 64.05 62.03 1k9a n THR 75 Cb 0.00 -0.91 0.52 0.00 -2.10 0.00 0.00 70.33 67.84 1k9a n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1k9a n LYS 76 N -1.71 0.94 -2.84 -0.78 5.02 -0.67 -4.83 118.16 113.29 1k9a n LYS 76 Ca 0.04 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.93 1k9a n LYS 76 Cb 0.23 -1.29 -0.06 0.00 -0.02 0.00 0.00 35.03 33.90 1k9a n LYS 76 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1k9a s LEU 77 N -1.58 4.58 -0.02 -0.35 1.43 -1.14 0.93 118.68 122.53 1k9a s LEU 77 Ca 0.26 1.78 -0.11 0.00 -1.03 0.00 0.00 54.13 55.03 1k9a s LEU 77 Cb 0.12 -3.47 0.02 0.00 0.03 0.00 0.00 46.19 42.88 1k9a s LEU 77 CO 0.20 0.11 0.24 -0.55 0.23 0.00 0.00 176.35 176.59 1k9a s SER 78 N -0.81 -0.13 0.09 2.29 0.15 -0.46 -4.85 113.70 109.99 1k9a s SER 78 Ca 0.40 0.05 0.25 0.00 0.70 0.00 0.00 55.95 57.36 1k9a s SER 78 Cb -0.24 0.31 0.61 0.00 -1.71 0.00 0.00 66.02 64.99 1k9a s SER 78 CO 0.29 -0.36 1.52 0.18 1.20 0.00 0.00 173.24 176.07 1k9a n LEU 79 N 1.61 0.57 -3.17 3.45 4.77 -1.26 -1.93 117.00 121.04 1k9a n LEU 79 Ca -0.21 0.29 -0.25 0.00 -0.03 0.00 0.00 56.01 55.81 1k9a n LEU 79 Cb 0.56 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1k9a n LEU 79 CO 0.21 -0.03 -0.01 0.23 -1.33 0.00 0.00 177.39 176.46 1k9a n MET 80 N -1.91 2.25 -0.19 3.23 2.81 -1.26 -4.89 117.12 117.15 1k9a n MET 80 Ca 0.05 -4.30 -0.08 0.00 -1.81 0.00 0.00 57.70 51.55 1k9a n MET 80 Cb 0.40 -2.00 0.02 0.00 -0.71 0.00 0.00 33.22 30.93 1k9a n MET 80 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1k9a h PRO 81 N 3.51 0.83 0.00 0.03 0.11 -1.86 -2.60 132.00 132.02 1k9a h PRO 81 Ca 0.14 -0.17 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1k9a h PRO 81 Cb 0.69 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1k9a h PRO 81 CO 0.72 0.74 0.00 -2.67 -0.21 0.00 0.00 178.00 176.58 1k9a n TRP 82 N -4.48 0.00 -3.15 0.65 4.27 -1.26 -1.90 117.44 111.56 1k9a n TRP 82 Ca 0.02 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.23 1k9a n TRP 82 Cb 0.19 -0.36 -0.07 0.00 -1.36 0.00 0.00 31.31 29.71 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 -2.72 3.28 -0.21 -2.67 5.36 -0.98 -1.00 117.98 119.04 1k9a s PHE 83 Ca 0.07 0.75 -0.05 0.00 -0.96 0.00 0.00 56.93 56.74 1k9a s PHE 83 Cb 0.06 -2.80 -0.11 0.00 -0.34 0.00 0.00 43.02 39.83 1k9a s PHE 83 CO 0.14 -0.31 -0.23 0.72 -1.46 0.00 0.00 175.22 174.08 1k9a n HIS 84 N 5.65 0.00 0.00 10.12 8.25 -0.64 -4.80 115.22 133.80 1k9a n HIS 84 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1k9a n HIS 84 Cb 0.49 -0.78 0.00 0.00 1.12 0.00 0.00 29.99 30.82 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 2.05 -0.09 3.56 -1.41 0.00 -1.25 -4.93 105.19 103.12 1k9a n GLY 85 Ca -0.40 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.25 1k9a n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k9a s LYS 86 N 0.00 2.41 -0.05 1.61 1.02 -1.09 -1.93 119.74 121.72 1k9a s LYS 86 Ca 0.00 0.31 -0.05 0.00 0.02 0.00 0.00 55.97 56.26 1k9a s LYS 86 Cb 0.00 -4.73 0.01 0.00 -0.52 0.00 0.00 37.83 32.59 1k9a s LYS 86 CO 0.00 -3.27 0.14 0.96 -0.92 0.00 0.00 175.35 172.26 1k9a s ILE 87 N 10.53 -0.00 0.58 2.17 -4.36 -1.26 -5.01 121.20 123.86 1k9a s ILE 87 Ca 0.75 0.01 -0.18 0.00 -0.26 0.00 0.00 60.65 60.97 1k9a s ILE 87 Cb -0.11 -0.20 -0.09 0.00 1.25 0.00 0.00 42.46 43.31 1k9a s ILE 87 CO 0.11 0.00 0.40 0.35 0.24 0.00 0.00 174.94 176.04 1k9a n THR 88 N 3.05 1.82 0.24 8.37 -2.24 -1.26 -4.80 114.28 119.46 1k9a n THR 88 Ca -0.13 -0.49 0.09 0.00 -2.27 0.00 0.00 64.05 61.25 1k9a n THR 88 Cb 0.59 -0.57 0.44 0.00 -2.10 0.00 0.00 70.33 68.69 1k9a n THR 88 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1k9a n ARG 89 N 0.15 0.12 -0.03 -0.78 -4.01 -1.26 -1.99 116.66 108.87 1k9a n ARG 89 Ca 0.11 0.52 -0.20 0.00 -1.04 0.00 0.00 57.85 57.24 1k9a n ARG 89 Cb 0.48 -1.82 -0.13 0.00 -3.04 0.00 0.00 32.46 27.94 1k9a n ARG 89 CO 0.00 0.00 0.00 0.93 -3.04 0.00 0.00 177.63 175.52 1k9a h GLU 90 N 0.00 0.15 -0.92 2.89 3.07 -2.00 -3.15 114.58 114.61 1k9a h GLU 90 Ca 0.00 -0.25 0.20 0.00 -0.50 0.00 0.00 59.36 58.81 1k9a h GLU 90 Cb 0.13 0.09 -0.11 0.00 -0.84 0.00 0.00 28.75 28.02 1k9a h GLU 90 CO 0.00 1.12 0.47 1.96 -1.40 0.00 0.00 179.01 181.16 1k9a h GLN 91 N -0.62 0.52 -0.84 2.33 4.20 -1.73 0.49 115.11 119.47 1k9a h GLN 91 Ca -0.22 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 1k9a h GLN 91 Cb 1.48 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 29.10 1k9a h GLN 91 CO 0.00 0.35 0.48 0.00 -0.67 0.00 0.00 178.83 178.99 1k9a h ALA 92 N 1.67 1.07 -0.18 3.87 0.00 -1.62 -0.74 119.26 123.32 1k9a h ALA 92 Ca 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 1k9a h ALA 92 Cb 0.97 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1k9a h ALA 92 CO -0.46 0.56 0.02 0.93 0.00 0.00 0.00 179.25 180.29 1k9a h GLU 93 N 1.15 0.30 -0.27 0.00 5.08 -0.05 -2.73 114.58 118.06 1k9a h GLU 93 Ca 0.30 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1k9a h GLU 93 Cb -0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1k9a h GLU 93 CO -0.05 0.48 -0.08 0.07 -1.00 0.00 0.00 179.01 178.44 1k9a h ARG 94 N 0.07 0.43 0.00 2.33 0.11 -1.01 -1.15 114.38 115.16 1k9a h ARG 94 Ca 0.05 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1k9a h ARG 94 Cb 0.34 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.36 1k9a h ARG 94 CO 0.01 0.52 0.00 1.28 0.10 0.00 0.00 179.97 181.88 1k9a n LEU 95 N -4.25 0.00 -2.69 0.08 4.77 -0.30 -3.14 117.00 111.47 1k9a n LEU 95 Ca 0.01 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.91 1k9a n LEU 95 Cb 0.28 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1k9a n LEU 95 CO 0.39 0.00 -0.10 0.18 -1.33 0.00 0.00 177.39 176.53 1k9a n LEU 96 N -0.97 1.42 0.22 2.23 4.32 -0.44 -4.91 117.00 118.87 1k9a n LEU 96 Ca 0.12 -3.61 0.10 0.00 -0.02 0.00 0.00 56.01 52.60 1k9a n LEU 96 Cb 0.06 0.43 0.49 0.00 -1.62 0.00 0.00 43.42 42.78 1k9a n LEU 96 CO 0.09 1.49 0.81 0.10 -1.22 0.00 0.00 177.39 178.66 1k9a h TYR 97 N 2.93 0.00 -2.51 -1.77 -0.00 -1.56 -3.41 116.97 110.64 1k9a h TYR 97 Ca -0.11 0.00 -0.54 0.00 0.00 0.00 0.00 58.73 58.08 1k9a h TYR 97 Cb 1.19 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 37.89 1k9a h TYR 97 CO 0.50 0.24 1.26 -2.14 -0.00 0.00 0.00 178.16 178.01 1k9a s PRO 98 N -3.76 3.10 0.00 0.10 0.02 -1.26 -4.84 135.00 128.36 1k9a s PRO 98 Ca -0.00 0.96 0.00 0.00 0.02 0.00 0.00 61.00 61.98 1k9a s PRO 98 Cb 0.11 -4.24 0.00 0.00 0.02 0.00 0.00 34.50 30.39 1k9a s PRO 98 CO 0.64 -2.15 0.02 -2.30 -0.33 0.00 0.00 177.00 172.88 1k9a n PRO 99 N 8.68 0.03 -3.68 5.54 -0.02 -1.26 -4.82 135.00 139.47 1k9a n PRO 99 Ca 0.20 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.33 1k9a n PRO 99 Cb 0.49 -1.15 -0.05 0.00 -0.02 0.00 0.00 33.50 32.77 1k9a n PRO 99 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1k9a s GLU 100 N -0.43 3.67 0.98 -0.52 0.41 -1.26 -3.31 118.70 118.24 1k9a s GLU 100 Ca 0.00 0.06 -0.15 0.00 -0.41 0.00 0.00 54.97 54.47 1k9a s GLU 100 Cb 0.00 -3.08 -0.05 0.00 -1.78 0.00 0.00 34.13 29.22 1k9a s GLU 100 CO 0.00 0.63 -0.19 2.41 -0.49 0.00 0.00 175.26 177.62 1k9a n THR 101 N 1.18 0.00 -0.47 3.63 -1.04 -1.24 -3.23 114.28 113.11 1k9a n THR 101 Ca -0.11 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 1k9a n THR 101 Cb 0.53 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 1k9a n THR 101 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k9a n GLY 102 N 2.47 0.07 3.50 3.41 0.00 -1.26 -4.62 105.19 108.77 1k9a n GLY 102 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 4.34 0.54 0.99 1.98 -1.20 0.02 118.68 125.35 1k9a s LEU 103 Ca 0.00 -1.81 0.08 0.00 -2.89 0.00 0.00 54.13 49.51 1k9a s LEU 103 Cb 0.00 -2.48 0.05 0.00 0.66 0.00 0.00 46.19 44.42 1k9a s LEU 103 CO 0.00 -1.26 0.59 0.72 -1.89 0.00 0.00 176.35 174.51 1k9a s PHE 104 N 3.71 1.72 -0.21 5.38 -0.12 -1.17 -2.30 117.98 125.00 1k9a s PHE 104 Ca 0.39 -0.72 -0.28 0.00 -0.05 0.00 0.00 56.93 56.27 1k9a s PHE 104 Cb -0.02 -2.11 0.12 0.00 -0.63 0.00 0.00 43.02 40.38 1k9a s PHE 104 CO -0.09 -0.75 1.01 -1.17 -0.05 0.00 0.00 175.22 174.17 1k9a s LEU 105 N -4.45 -0.41 -0.07 -1.99 1.98 -0.62 -2.88 118.68 110.25 1k9a s LEU 105 Ca 0.50 0.59 0.03 0.00 -2.89 0.00 0.00 54.13 52.36 1k9a s LEU 105 Cb -0.04 1.88 -0.02 0.00 0.66 0.00 0.00 46.19 48.66 1k9a s LEU 105 CO 0.31 -0.27 -0.14 -0.69 -1.89 0.00 0.00 176.35 173.66 1k9a s VAL 106 N -0.58 3.02 -0.08 1.68 1.01 -0.17 -0.19 120.40 125.09 1k9a s VAL 106 Ca -0.00 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1k9a s VAL 106 Cb -0.02 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.18 1k9a s VAL 106 CO -0.01 0.58 -0.10 0.00 0.00 0.00 0.00 175.10 175.56 1k9a s ARG 107 N -0.46 1.54 -1.15 2.72 1.70 -0.34 -1.62 118.95 121.34 1k9a s ARG 107 Ca 0.06 -0.32 -0.09 0.00 -0.47 0.00 0.00 55.73 54.91 1k9a s ARG 107 Cb -0.12 -1.40 0.25 0.00 -0.57 0.00 0.00 34.95 33.11 1k9a s ARG 107 CO 0.02 -0.09 1.35 -1.91 -1.08 0.00 0.00 175.30 173.58 1k9a n GLU 108 N 4.24 3.74 -3.36 3.89 2.13 -0.81 -0.65 120.64 129.82 1k9a n GLU 108 Ca -0.19 -4.27 -0.22 0.00 0.66 0.00 0.00 57.16 53.13 1k9a n GLU 108 Cb 0.51 -2.68 -0.00 0.00 0.27 0.00 0.00 31.44 29.54 1k9a n GLU 108 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1k9a s SER 109 N 0.83 6.11 -0.33 4.31 1.04 -1.24 -2.66 113.70 121.76 1k9a s SER 109 Ca 0.34 0.26 0.01 0.00 0.48 0.00 0.00 55.95 57.04 1k9a s SER 109 Cb -0.03 -1.74 0.35 0.00 0.10 0.00 0.00 66.02 64.69 1k9a s SER 109 CO -0.01 -0.40 1.77 0.41 0.98 0.00 0.00 173.24 175.98 1k9a n THR 110 N -1.80 2.63 -0.56 2.02 -1.04 -1.26 -4.37 114.28 109.90 1k9a n THR 110 Ca -0.03 -1.52 0.46 0.00 -2.04 0.00 0.00 64.05 60.92 1k9a n THR 110 Cb 0.57 -0.96 0.72 0.00 -1.82 0.00 0.00 70.33 68.85 1k9a n THR 110 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1k9a h ASN 111 N 1.05 0.00 0.00 8.00 -0.73 -1.92 -3.40 115.58 118.58 1k9a h ASN 111 Ca 0.38 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.55 1k9a h ASN 111 Cb 1.58 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.17 1k9a h ASN 111 CO 0.80 0.00 0.00 0.00 -0.37 0.00 0.00 177.43 177.86 1k9a n TYR 112 N -3.76 0.00 0.00 0.67 -0.00 -1.26 -5.14 117.16 107.67 1k9a n TYR 112 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.28 1k9a n TYR 112 Cb 1.84 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 41.18 1k9a n TYR 112 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 1k9a n PRO 113 N 0.00 3.08 -0.39 2.98 -0.02 -1.26 -5.03 135.00 134.37 1k9a n PRO 113 Ca 0.00 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.50 1k9a n PRO 113 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.50 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 5.00 1.02 0.00 -1.23 0.00 -1.26 -4.50 105.19 104.21 1k9a n GLY 114 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.24 0.00 -2.05 1.61 8.00 -1.26 -4.97 116.55 117.63 1k9a n ASP 115 Ca 0.03 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.47 1k9a n ASP 115 Cb 0.67 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.75 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 0.00 0.03 -3.66 1.24 4.02 -1.24 -3.72 117.16 113.84 1k9a n TYR 116 Ca 0.00 -0.63 -0.11 0.00 -0.01 0.00 0.00 57.90 57.15 1k9a n TYR 116 Cb 0.00 -0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.24 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 -1.90 -0.00 -0.11 -0.72 2.01 0.17 -2.22 115.64 112.86 1k9a s THR 117 Ca 0.05 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.94 1k9a s THR 117 Cb 0.00 -0.87 -0.05 0.00 0.01 0.00 0.00 72.50 71.60 1k9a s THR 117 CO 0.03 0.01 0.27 -0.22 -0.69 0.00 0.00 174.62 174.02 1k9a s LEU 118 N 0.87 4.33 -0.30 4.42 2.96 0.58 -1.20 118.68 130.35 1k9a s LEU 118 Ca -0.04 0.59 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 1k9a s LEU 118 Cb -0.05 -2.33 0.09 0.00 0.50 0.00 0.00 46.19 44.40 1k9a s LEU 118 CO -0.07 0.24 0.04 0.00 -1.32 0.00 0.00 176.35 175.24 1k9a s VAL 120 N 1.33 4.38 -1.00 0.00 1.01 -0.42 -1.59 120.40 124.10 1k9a s VAL 120 Ca 0.06 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 60.95 1k9a s VAL 120 Cb -0.18 -3.15 0.22 0.00 0.00 0.00 0.00 36.38 33.26 1k9a s VAL 120 CO -0.14 0.03 1.05 -0.55 0.00 0.00 0.00 175.10 175.48 1k9a s SER 121 N -2.66 6.99 -1.12 3.32 0.15 -0.97 0.65 113.70 120.06 1k9a s SER 121 Ca 0.29 -2.97 -0.18 0.00 0.70 0.00 0.00 55.95 53.80 1k9a s SER 121 Cb -0.11 -2.27 0.12 0.00 -1.71 0.00 0.00 66.02 62.05 1k9a s SER 121 CO 0.22 -0.57 1.42 0.00 1.20 0.00 0.00 173.24 175.50 1k9a n GLU 123 N 7.04 -2.35 0.00 0.00 -0.58 -1.26 -3.99 120.64 119.50 1k9a n GLU 123 Ca 0.35 1.99 0.00 0.00 -0.42 0.00 0.00 57.16 59.08 1k9a n GLU 123 Cb 0.47 -2.52 0.00 0.00 -0.57 0.00 0.00 31.44 28.82 1k9a n GLU 123 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k9a n GLY 124 N 1.97 2.23 3.54 0.62 0.00 -1.21 -4.96 105.19 107.38 1k9a n GLY 124 Ca -0.13 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 1.81 -0.40 1.61 2.47 -1.26 -4.82 119.74 119.15 1k9a s LYS 125 Ca 0.00 -2.01 -0.11 0.00 -1.56 0.00 0.00 55.97 52.29 1k9a s LYS 125 Cb 0.00 -1.26 0.05 0.00 -1.46 0.00 0.00 37.83 35.16 1k9a s LYS 125 CO 0.00 -0.11 0.25 0.14 0.16 0.00 0.00 175.35 175.78 1k9a s VAL 126 N -2.99 4.50 0.31 4.02 -7.23 -1.26 -1.40 120.40 116.35 1k9a s VAL 126 Ca 0.36 -1.11 -0.26 0.00 -1.81 0.00 0.00 61.98 59.16 1k9a s VAL 126 Cb 0.09 -3.63 -0.10 0.00 0.56 0.00 0.00 36.38 33.30 1k9a s VAL 126 CO 0.17 -0.39 0.93 -1.61 -0.31 0.00 0.00 175.10 173.89 1k9a s GLU 127 N 1.51 4.59 -0.13 4.82 0.41 0.21 -4.87 118.70 125.24 1k9a s GLU 127 Ca 0.02 1.32 0.01 0.00 -0.41 0.00 0.00 54.97 55.91 1k9a s GLU 127 Cb -0.21 -2.84 -0.00 0.00 -1.78 0.00 0.00 34.13 29.29 1k9a s GLU 127 CO 0.05 0.30 -0.18 -1.01 -0.49 0.00 0.00 175.26 173.94 1k9a s HIS 128 N -1.58 2.72 -0.27 1.61 3.76 -1.26 -1.30 115.29 118.96 1k9a s HIS 128 Ca 0.49 -0.93 0.01 0.00 -0.15 0.00 0.00 55.06 54.48 1k9a s HIS 128 Cb -0.19 -1.81 0.05 0.00 1.11 0.00 0.00 32.58 31.74 1k9a s HIS 128 CO 0.24 -0.38 -0.06 0.71 -0.85 0.00 0.00 174.74 174.40 1k9a s TYR 129 N 0.51 3.24 -0.40 1.40 1.51 0.13 -4.98 117.35 118.76 1k9a s TYR 129 Ca -0.11 -2.07 -0.28 0.00 -1.01 0.00 0.00 57.07 53.59 1k9a s TYR 129 Cb -0.16 -2.01 -0.00 0.00 -0.11 0.00 0.00 41.96 39.67 1k9a s TYR 129 CO 0.05 -0.84 1.62 1.03 -1.11 0.00 0.00 175.55 176.30 1k9a s ARG 130 N 1.18 3.37 0.10 -0.62 0.52 -1.26 -0.30 118.95 121.94 1k9a s ARG 130 Ca -0.06 1.10 -0.25 0.00 -0.52 0.00 0.00 55.73 55.99 1k9a s ARG 130 Cb -0.19 -4.14 -0.07 0.00 0.52 0.00 0.00 34.95 31.07 1k9a s ARG 130 CO -0.04 -1.81 0.76 0.42 0.02 0.00 0.00 175.30 174.65 1k9a s ILE 131 N 6.42 4.57 -0.09 1.52 1.01 -0.94 -4.70 121.20 128.98 1k9a s ILE 131 Ca 0.69 1.65 -0.01 0.00 0.00 0.00 0.00 60.65 62.98 1k9a s ILE 131 Cb -0.17 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.15 1k9a s ILE 131 CO 0.32 0.44 -0.03 -0.04 0.00 0.00 0.00 174.94 175.63 1k9a s MET 132 N -0.57 3.04 -0.42 2.79 -1.94 0.33 -3.61 119.30 118.92 1k9a s MET 132 Ca 0.37 -0.48 -0.05 0.00 -1.71 0.00 0.00 55.69 53.83 1k9a s MET 132 Cb -0.22 -2.75 0.11 0.00 2.01 0.00 0.00 34.83 33.99 1k9a s MET 132 CO 0.24 0.60 0.24 -0.47 -0.01 0.00 0.00 175.02 175.62 1k9a s TYR 133 N -0.61 3.54 -0.02 -0.03 5.04 -1.26 -1.54 117.35 122.48 1k9a s TYR 133 Ca 0.10 -2.27 0.01 0.00 -2.44 0.00 0.00 57.07 52.47 1k9a s TYR 133 Cb -0.12 -3.29 0.02 0.00 0.35 0.00 0.00 41.96 38.92 1k9a s TYR 133 CO 0.02 -0.98 -0.01 -1.58 -1.34 0.00 0.00 175.55 171.66 1k9a s HIS 134 N 1.20 0.32 -1.30 4.97 5.65 -0.32 -4.87 115.29 120.95 1k9a s HIS 134 Ca 0.07 -0.03 -0.04 0.00 0.25 0.00 0.00 55.06 55.32 1k9a s HIS 134 Cb -0.24 -0.34 0.01 0.00 -1.18 0.00 0.00 32.58 30.84 1k9a s HIS 134 CO -0.03 -0.09 0.98 0.00 -0.65 0.00 0.00 174.74 174.95 1k9a n ALA 135 N 3.71 -1.77 -2.63 1.58 0.00 -1.26 -2.50 120.51 117.65 1k9a n ALA 135 Ca -0.22 0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.07 1k9a n ALA 135 Cb 0.53 -3.30 0.00 0.00 0.00 0.00 0.00 19.45 16.69 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 -3.06 -5.74 -3.79 0.00 7.64 -1.26 -4.98 113.62 102.43 1k9a n SER 136 Ca -0.18 -0.09 -0.11 0.00 1.01 0.00 0.00 58.87 59.49 1k9a n SER 136 Cb 0.63 -4.74 -0.08 0.00 -1.01 0.00 0.00 64.21 59.01 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 -5.28 0.77 -0.04 1.43 -0.14 -1.04 -4.85 119.74 110.58 1k9a s LYS 137 Ca 0.11 -0.57 0.02 0.00 -1.36 0.00 0.00 55.97 54.17 1k9a s LYS 137 Cb -0.05 0.33 -0.03 0.00 -1.68 0.00 0.00 37.83 36.40 1k9a s LYS 137 CO 0.13 -0.24 -0.09 -0.51 -0.76 0.00 0.00 175.35 173.88 1k9a s LEU 138 N -2.11 3.06 -0.05 3.17 1.43 0.61 -1.17 118.68 123.63 1k9a s LEU 138 Ca -0.05 -0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.66 1k9a s LEU 138 Cb -0.01 -1.69 0.09 0.00 0.03 0.00 0.00 46.19 44.62 1k9a s LEU 138 CO -0.04 0.34 0.78 -0.55 0.23 0.00 0.00 176.35 177.11 1k9a s SER 139 N -0.96 -0.53 -0.07 2.29 0.15 -0.59 -0.35 113.70 113.64 1k9a s SER 139 Ca 0.13 0.46 -0.04 0.00 0.70 0.00 0.00 55.95 57.21 1k9a s SER 139 Cb -0.11 0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 64.63 1k9a s SER 139 CO 0.03 -0.58 -0.09 -0.38 1.20 0.00 0.00 173.24 173.41 1k9a n ILE 140 N 0.58 0.43 1.25 6.45 5.41 -1.26 -0.51 119.36 131.71 1k9a n ILE 140 Ca -0.15 -0.09 0.13 0.00 1.00 0.00 0.00 62.75 63.64 1k9a n ILE 140 Cb 0.59 -1.60 0.48 0.00 -0.71 0.00 0.00 39.64 38.39 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 -3.34 0.60 -0.09 4.38 5.75 -1.26 -4.91 116.55 117.69 1k9a n ASP 141 Ca -0.14 -0.52 -0.01 0.00 -0.01 0.00 0.00 54.79 54.10 1k9a n ASP 141 Cb 0.59 0.01 -0.00 0.00 -1.03 0.00 0.00 41.12 40.68 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 -1.00 -1.74 -0.08 0.11 1.02 -1.26 -4.71 120.64 112.97 1k9a n GLU 142 Ca 0.12 0.49 -0.13 0.00 -0.02 0.00 0.00 57.16 57.61 1k9a n GLU 142 Cb 0.31 -4.81 -0.07 0.00 -0.02 0.00 0.00 31.44 26.85 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 0.35 0.40 -4.70 3.49 1.02 -1.26 -4.96 120.64 114.98 1k9a n GLU 143 Ca -0.01 0.11 -0.33 0.00 -0.02 0.00 0.00 57.16 56.91 1k9a n GLU 143 Cb 0.45 -1.28 -0.13 0.00 -0.02 0.00 0.00 31.44 30.46 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 -2.33 3.34 0.28 2.62 1.01 -1.26 -5.12 120.40 118.94 1k9a s VAL 144 Ca -0.23 -0.58 0.11 0.00 0.00 0.00 0.00 61.98 61.28 1k9a s VAL 144 Cb 0.07 -2.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.01 1k9a s VAL 144 CO 0.36 0.55 -0.12 -0.31 0.00 0.00 0.00 175.10 175.58 1k9a s TYR 145 N -0.12 2.44 0.03 5.22 1.51 -1.26 -4.39 117.35 120.78 1k9a s TYR 145 Ca -0.00 -0.31 -0.05 0.00 -1.01 0.00 0.00 57.07 55.70 1k9a s TYR 145 Cb -0.13 -1.11 -0.01 0.00 -0.11 0.00 0.00 41.96 40.60 1k9a s TYR 145 CO 0.03 0.67 0.08 -0.06 -1.11 0.00 0.00 175.55 175.16 1k9a s PHE 146 N -2.46 0.19 -0.01 2.71 0.40 0.53 -4.95 117.98 114.40 1k9a s PHE 146 Ca 0.31 -0.45 0.11 0.00 -0.60 0.00 0.00 56.93 56.30 1k9a s PHE 146 Cb -0.05 -0.14 -0.17 0.00 0.51 0.00 0.00 43.02 43.17 1k9a s PHE 146 CO 0.17 -0.32 1.03 0.93 0.70 0.00 0.00 175.22 177.72 1k9a h GLU 147 N 3.91 0.00 -3.81 0.44 5.08 -1.89 0.18 114.58 118.49 1k9a h GLU 147 Ca -0.32 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.95 1k9a h GLU 147 Cb 1.19 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.31 1k9a h GLU 147 CO 0.48 0.66 -0.29 0.54 -1.00 0.00 0.00 179.01 179.40 1k9a s ASN 148 N -6.34 0.01 0.27 1.42 2.20 -1.26 -4.79 114.94 106.46 1k9a s ASN 148 Ca -0.01 -0.80 -0.03 0.00 -0.94 0.00 0.00 52.86 51.07 1k9a s ASN 148 Cb 0.09 0.44 0.35 0.00 -2.00 0.00 0.00 41.25 40.13 1k9a s ASN 148 CO 0.81 -0.89 1.88 -0.07 -2.94 0.00 0.00 177.10 175.89 1k9a h LEU 149 N 2.53 0.95 -0.04 3.54 3.38 -1.98 -1.36 115.31 122.32 1k9a h LEU 149 Ca -0.32 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.58 1k9a h LEU 149 Cb 1.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1k9a h LEU 149 CO 0.48 0.79 -0.05 0.24 0.09 0.00 0.00 178.44 179.99 1k9a h MET 150 N 1.06 -0.06 -0.83 1.13 2.86 -1.96 0.69 114.93 117.82 1k9a h MET 150 Ca 0.26 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.96 1k9a h MET 150 Cb 0.07 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.69 1k9a h MET 150 CO -0.04 -0.04 0.52 0.37 1.06 0.00 0.00 176.91 178.77 1k9a h GLN 151 N -0.07 0.94 0.83 1.72 4.15 -1.75 0.25 115.11 121.18 1k9a h GLN 151 Ca 0.03 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 1k9a h GLN 151 Cb 0.12 -0.21 0.01 0.00 0.21 0.00 0.00 27.48 27.60 1k9a h GLN 151 CO -0.08 0.62 -0.40 1.25 -1.93 0.00 0.00 178.83 178.29 1k9a h LEU 152 N 0.97 -0.95 -0.70 -2.39 6.46 -0.31 -1.87 115.31 116.52 1k9a h LEU 152 Ca 0.35 0.03 0.14 0.00 -0.12 0.00 0.00 57.88 58.29 1k9a h LEU 152 Cb 0.11 0.24 -0.10 0.00 -0.73 0.00 0.00 40.66 40.18 1k9a h LEU 152 CO -0.15 -0.61 0.17 0.58 -0.62 0.00 0.00 178.44 177.81 1k9a h VAL 153 N -1.25 0.56 -0.17 1.05 2.07 0.60 -1.40 116.25 117.71 1k9a h VAL 153 Ca -0.11 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1k9a h VAL 153 Cb 0.86 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1k9a h VAL 153 CO 0.19 0.05 -0.15 -0.08 0.02 0.00 0.00 177.57 177.60 1k9a h GLU 154 N 0.28 -0.15 -0.66 1.57 4.57 -0.45 0.12 114.58 119.86 1k9a h GLU 154 Ca 0.39 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.65 1k9a h GLU 154 Cb 0.63 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 29.20 1k9a h GLU 154 CO -0.47 -0.10 0.35 1.25 -1.18 0.00 0.00 179.01 178.85 1k9a h HIS 155 N -0.16 0.64 0.00 0.92 2.76 -0.41 -1.94 115.15 116.96 1k9a h HIS 155 Ca 0.11 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1k9a h HIS 155 Cb 0.32 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.09 1k9a h HIS 155 CO -0.29 0.28 -0.04 1.88 -1.30 0.00 0.00 177.93 178.46 1k9a h TYR 156 N 0.63 0.00 -0.28 5.26 0.99 -1.09 -2.94 116.97 119.54 1k9a h TYR 156 Ca 0.31 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.00 1k9a h TYR 156 Cb 0.24 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.96 1k9a h TYR 156 CO -0.09 0.04 0.04 1.15 -0.00 0.00 0.00 178.16 179.30 1k9a h THR 157 N 0.00 1.23 0.00 -2.88 2.02 -0.03 -2.46 112.91 110.80 1k9a h THR 157 Ca -0.00 -0.80 0.00 0.00 0.77 0.00 0.00 66.41 66.38 1k9a h THR 157 Cb 1.03 1.21 0.00 0.00 -1.74 0.00 0.00 68.15 68.65 1k9a h THR 157 CO 0.01 0.26 0.00 0.41 0.37 0.00 0.00 175.52 176.57 1k9a n THR 158 N -4.64 0.00 -3.98 3.16 -1.04 -0.86 -4.25 114.28 102.67 1k9a n THR 158 Ca -0.03 0.99 -0.08 0.00 -2.04 0.00 0.00 64.05 62.90 1k9a n THR 158 Cb 0.21 -1.89 -0.01 0.00 -1.82 0.00 0.00 70.33 66.82 1k9a n THR 158 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1k9a n ASP 159 N -0.59 2.03 -3.76 8.00 8.00 -1.12 -4.90 116.55 124.21 1k9a n ASP 159 Ca 0.00 -1.53 -0.25 0.00 0.71 0.00 0.00 54.79 53.72 1k9a n ASP 159 Cb 0.00 0.05 -0.17 0.00 -0.02 0.00 0.00 41.12 40.98 1k9a n ASP 159 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k9a s ALA 160 N -2.21 0.82 -0.03 2.24 0.00 -1.26 -4.10 121.76 117.22 1k9a s ALA 160 Ca 0.03 -0.34 -0.24 0.00 0.00 0.00 0.00 51.96 51.41 1k9a s ALA 160 Cb -0.00 -0.90 -0.21 0.00 0.00 0.00 0.00 23.12 22.01 1k9a s ALA 160 CO 0.02 -0.71 1.16 -0.44 0.00 0.00 0.00 175.76 175.79 1k9a h ASP 161 N 8.30 0.16 0.00 0.00 3.32 -1.93 -3.43 116.42 122.83 1k9a h ASP 161 Ca -0.19 -0.63 0.00 0.00 0.02 0.00 0.00 57.03 56.23 1k9a h ASP 161 Cb 1.12 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1k9a h ASP 161 CO 0.29 0.77 0.00 0.61 -1.72 0.00 0.00 179.24 179.19 1k9a n GLY 162 N 0.63 0.00 3.71 2.75 0.00 -1.26 -5.07 105.19 105.96 1k9a n GLY 162 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1k9a n GLY 162 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1k9a s LEU 163 N -0.21 4.38 0.20 0.99 2.34 -1.26 -4.90 118.68 120.22 1k9a s LEU 163 Ca 0.00 2.83 -0.22 0.00 0.06 0.00 0.00 54.13 56.80 1k9a s LEU 163 Cb 0.00 -3.59 0.14 0.00 -0.56 0.00 0.00 46.19 42.18 1k9a s LEU 163 CO 0.00 -0.97 1.56 0.00 -1.06 0.00 0.00 176.35 175.87 1k9a s THR 165 N -5.85 1.98 0.24 0.00 -4.23 -1.26 -5.07 115.64 101.44 1k9a s THR 165 Ca -0.14 -0.89 -0.31 0.00 -1.18 0.00 0.00 61.69 59.17 1k9a s THR 165 Cb 0.17 -1.79 -0.13 0.00 1.34 0.00 0.00 72.50 72.09 1k9a s THR 165 CO 0.69 0.53 1.48 -2.11 -0.54 0.00 0.00 174.62 174.66 1k9a n ARG 166 N 4.65 2.22 -1.65 3.99 1.85 -1.26 -4.70 116.66 121.76 1k9a n ARG 166 Ca -0.20 0.79 -0.47 0.00 -1.00 0.00 0.00 57.85 56.97 1k9a n ARG 166 Cb 0.50 -2.50 -0.04 0.00 -1.05 0.00 0.00 32.46 29.37 1k9a n ARG 166 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1k9a n LEU 167 N 2.34 2.74 0.00 2.89 4.77 -0.93 -4.13 117.00 124.69 1k9a n LEU 167 Ca 0.12 1.10 0.00 0.00 -0.03 0.00 0.00 56.01 57.20 1k9a n LEU 167 Cb 0.32 -1.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 1k9a n LEU 167 CO 0.63 -0.51 0.00 -0.38 -1.33 0.00 0.00 177.39 175.80 1k9a n ILE 168 N 2.95 0.00 -4.51 -0.08 2.08 -0.78 -4.38 119.36 114.63 1k9a n ILE 168 Ca 0.16 0.00 -0.33 0.00 0.56 0.00 0.00 62.75 63.14 1k9a n ILE 168 Cb 0.27 -0.64 -0.14 0.00 -0.75 0.00 0.00 39.64 38.38 1k9a n ILE 168 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1k9a s LYS 169 N -0.30 3.43 0.70 0.38 2.20 0.10 -4.97 119.74 121.28 1k9a s LYS 169 Ca 0.00 -0.65 -0.13 0.00 -0.36 0.00 0.00 55.97 54.84 1k9a s LYS 169 Cb 0.00 -2.76 0.02 0.00 -1.51 0.00 0.00 37.83 33.58 1k9a s LYS 169 CO 0.00 0.12 1.09 -2.14 -0.36 0.00 0.00 175.35 174.06 1k9a s PRO 170 N 0.61 2.67 -0.86 4.03 0.02 -1.26 -3.02 135.00 137.20 1k9a s PRO 170 Ca -0.06 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.18 1k9a s PRO 170 Cb -0.15 -1.95 0.25 0.00 0.02 0.00 0.00 34.50 32.67 1k9a s PRO 170 CO 0.03 -1.33 0.92 1.17 -0.33 0.00 0.00 177.00 177.46 1k9a n LYS 171 N -2.92 3.00 -1.37 5.54 3.00 -1.14 -4.88 118.16 119.40 1k9a n LYS 171 Ca 0.09 -4.56 -0.45 0.00 -0.00 0.00 0.00 58.31 53.40 1k9a n LYS 171 Cb 0.53 -2.39 -0.02 0.00 0.00 0.00 0.00 35.03 33.16 1k9a n LYS 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1k9a n VAL 172 N 1.64 1.42 -2.91 3.15 0.31 -1.26 -4.67 118.33 116.02 1k9a n VAL 172 Ca 0.25 -0.50 -0.34 0.00 -0.01 0.00 0.00 64.34 63.74 1k9a n VAL 172 Cb 0.37 -0.08 -0.07 0.00 -0.91 0.00 0.00 33.84 33.15 1k9a n VAL 172 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1k9a s MET 173 N -1.07 4.29 0.15 5.55 1.75 -0.80 -4.96 119.30 124.21 1k9a s MET 173 Ca 0.62 1.06 -0.32 0.00 -1.25 0.00 0.00 55.69 55.79 1k9a s MET 173 Cb -0.77 -2.50 -0.17 0.00 2.84 0.00 0.00 34.83 34.22 1k9a s MET 173 CO 0.59 0.15 0.91 0.39 -0.65 0.00 0.00 175.02 176.41 1k9a n GLU 174 N -0.05 0.50 -1.84 4.11 -0.58 -1.26 -1.50 120.64 120.01 1k9a n GLU 174 Ca 0.04 0.18 -0.15 0.00 -0.42 0.00 0.00 57.16 56.81 1k9a n GLU 174 Cb 0.52 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.87 1k9a n GLU 174 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k9a n GLY 175 N 1.82 0.65 3.29 0.62 0.00 -1.26 -5.00 105.19 105.30 1k9a n GLY 175 Ca 0.17 -0.31 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.63 1.54 -0.01 2.61 2.01 -0.56 -4.63 115.64 113.97 1k9a s THR 176 Ca 0.00 -1.89 0.01 0.00 0.31 0.00 0.00 61.69 60.12 1k9a s THR 176 Cb 0.00 -1.74 0.00 0.00 0.01 0.00 0.00 72.50 70.78 1k9a s THR 176 CO 0.00 -0.44 -0.01 -0.69 -0.69 0.00 0.00 174.62 172.79 1k9a s VAL 177 N -2.34 0.13 -0.56 3.82 1.01 0.26 -4.76 120.40 117.97 1k9a s VAL 177 Ca 0.14 -0.03 -0.27 0.00 0.00 0.00 0.00 61.98 61.81 1k9a s VAL 177 Cb -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.18 1k9a s VAL 177 CO 0.05 0.06 1.81 0.00 0.00 0.00 0.00 175.10 177.02 1k9a s ALA 178 N 0.18 2.33 0.08 5.51 0.00 -1.26 -1.36 121.76 127.25 1k9a s ALA 178 Ca -0.01 -0.52 -0.34 0.00 0.00 0.00 0.00 51.96 51.09 1k9a s ALA 178 Cb -0.03 -4.24 -0.16 0.00 0.00 0.00 0.00 23.12 18.68 1k9a s ALA 178 CO -0.01 -3.62 1.59 0.00 0.00 0.00 0.00 175.76 173.72 1k9a h ALA 179 N 14.30 -1.00 -0.89 0.00 0.00 -1.75 -0.67 119.26 129.25 1k9a h ALA 179 Ca -0.27 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 54.66 1k9a h ALA 179 Cb 1.16 0.57 -0.06 0.00 0.00 0.00 0.00 17.79 19.45 1k9a h ALA 179 CO 1.19 -1.09 0.59 1.96 0.00 0.00 0.00 179.25 181.89 1k9a h GLN 180 N -0.95 0.36 -0.01 0.00 7.50 -1.90 -0.60 115.11 119.51 1k9a h GLN 180 Ca -0.06 -0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.06 1k9a h GLN 180 Cb 0.80 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.25 1k9a h GLN 180 CO 0.01 0.24 -0.01 0.22 -1.50 0.00 0.00 178.83 177.78 1k9a h ASP 181 N 0.37 0.03 0.14 1.46 1.82 -1.85 -2.83 116.42 115.55 1k9a h ASP 181 Ca 0.46 -0.48 -0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1k9a h ASP 181 Cb 1.19 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 41.18 1k9a h ASP 181 CO -0.16 0.50 -0.16 -0.33 -1.61 0.00 0.00 179.24 177.49 1k9a h GLU 182 N -0.45 -0.29 -0.53 0.28 4.39 0.41 0.28 114.58 118.67 1k9a h GLU 182 Ca 0.00 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.81 1k9a h GLU 182 Cb 0.50 0.07 -0.11 0.00 -0.10 0.00 0.00 28.75 29.11 1k9a h GLU 182 CO 0.00 -0.19 -0.37 0.74 -1.16 0.00 0.00 179.01 178.03 1k9a h PHE 183 N -0.30 -1.04 -0.74 4.33 -1.00 -1.50 0.80 116.94 117.49 1k9a h PHE 183 Ca -0.02 0.07 0.01 0.00 2.81 0.00 0.00 57.97 60.84 1k9a h PHE 183 Cb 0.27 0.53 -0.04 0.00 3.61 0.00 0.00 35.95 40.32 1k9a h PHE 183 CO -0.16 -0.40 0.48 1.88 -1.61 0.00 0.00 178.31 178.51 1k9a h TYR 184 N -0.21 0.94 0.00 -0.55 -1.99 -1.44 0.23 116.97 113.95 1k9a h TYR 184 Ca 0.20 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.85 1k9a h TYR 184 Cb 0.56 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.96 1k9a h TYR 184 CO -0.64 0.60 -0.49 -0.09 -0.00 0.00 0.00 178.16 177.55 1k9a h ARG 185 N 1.01 0.00 -0.65 4.88 2.43 0.19 -2.95 114.38 119.29 1k9a h ARG 185 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1k9a h ARG 185 Cb -0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1k9a h ARG 185 CO -0.06 0.49 0.00 0.43 -1.51 0.00 0.00 179.97 179.32 1k9a n SER 186 N -3.61 3.79 -0.92 -3.80 7.64 0.25 -4.92 113.62 112.06 1k9a n SER 186 Ca -0.00 -2.44 -0.10 0.00 1.01 0.00 0.00 58.87 57.33 1k9a n SER 186 Cb 0.57 -0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.70 0.64 1.39 0.23 0.00 -0.97 -1.13 105.19 106.05 1k9a n GLY 187 Ca 0.18 -0.53 0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.27 1.22 -2.88 1.61 7.02 -0.03 -4.72 117.44 116.40 1k9a n TRP 188 Ca -0.11 -0.59 -0.41 0.00 -1.02 0.00 0.00 57.50 55.38 1k9a n TRP 188 Cb 0.44 -0.17 -0.04 0.00 -2.42 0.00 0.00 31.31 29.12 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 -1.61 3.29 0.48 6.99 0.00 -1.26 -0.00 121.76 129.64 1k9a s ALA 189 Ca 0.47 0.38 0.08 0.00 0.00 0.00 0.00 51.96 52.89 1k9a s ALA 189 Cb 0.29 -3.13 0.03 0.00 0.00 0.00 0.00 23.12 20.31 1k9a s ALA 189 CO 0.25 -0.05 0.60 -0.51 0.00 0.00 0.00 175.76 176.05 1k9a s LEU 190 N 0.35 3.39 -0.31 0.00 1.43 -0.03 -4.84 118.68 118.67 1k9a s LEU 190 Ca 0.43 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 1k9a s LEU 190 Cb -0.21 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 1k9a s LEU 190 CO 0.25 -0.95 0.18 0.21 0.23 0.00 0.00 176.35 176.27 1k9a s ASN 191 N -4.41 5.73 0.37 2.29 3.04 -1.26 -4.81 114.94 115.88 1k9a s ASN 191 Ca 0.55 -0.40 0.12 0.00 0.04 0.00 0.00 52.86 53.17 1k9a s ASN 191 Cb -0.07 -2.05 0.92 0.00 -1.54 0.00 0.00 41.25 38.50 1k9a s ASN 191 CO 0.33 -0.17 1.83 -0.03 -3.04 0.00 0.00 177.10 176.02 1k9a h MET 192 N 8.39 0.57 -0.14 0.43 1.85 -1.96 0.14 114.93 124.20 1k9a h MET 192 Ca -0.33 -0.03 0.04 0.00 -0.61 0.00 0.00 59.70 58.77 1k9a h MET 192 Cb 1.16 -0.13 -0.01 0.00 0.43 0.00 0.00 31.60 33.05 1k9a h MET 192 CO 0.61 0.38 0.11 0.87 -0.40 0.00 0.00 176.91 178.47 1k9a h LYS 193 N 0.59 0.00 -0.02 0.39 1.57 -2.03 -1.81 116.57 115.26 1k9a h LYS 193 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1k9a h LYS 193 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1k9a h LYS 193 CO -0.24 0.00 -0.13 0.39 -0.57 0.00 0.00 179.45 178.89 1k9a n GLU 194 N -4.33 1.48 -3.63 3.15 1.02 0.46 -4.86 120.64 113.94 1k9a n GLU 194 Ca 0.00 -0.99 -0.36 0.00 -0.02 0.00 0.00 57.16 55.79 1k9a n GLU 194 Cb 0.23 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 30.09 1k9a n GLU 194 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1k9a s LEU 195 N -2.21 4.16 -0.29 -4.62 0.20 -0.68 -3.39 118.68 111.85 1k9a s LEU 195 Ca 0.30 0.24 0.02 0.00 0.69 0.00 0.00 54.13 55.37 1k9a s LEU 195 Cb 0.20 -2.18 0.08 0.00 -0.43 0.00 0.00 46.19 43.86 1k9a s LEU 195 CO 0.41 0.08 0.01 -0.75 -0.29 0.00 0.00 176.35 175.81 1k9a s LYS 196 N 0.86 1.43 0.18 1.98 2.20 0.13 -4.93 119.74 121.60 1k9a s LYS 196 Ca 0.10 -1.38 -0.31 0.00 -0.36 0.00 0.00 55.97 54.02 1k9a s LYS 196 Cb -0.13 -2.73 -0.09 0.00 -1.51 0.00 0.00 37.83 33.37 1k9a s LYS 196 CO 0.03 -0.81 1.43 -0.51 -0.36 0.00 0.00 175.35 175.13 1k9a s LEU 197 N 1.22 4.38 -0.03 5.43 1.43 -1.26 -0.66 118.68 129.20 1k9a s LEU 197 Ca 0.04 2.51 -0.08 0.00 -1.03 0.00 0.00 54.13 55.57 1k9a s LEU 197 Cb -0.19 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 1k9a s LEU 197 CO -0.11 -0.68 -0.15 0.18 0.23 0.00 0.00 176.35 175.82 1k9a n LEU 198 N 3.19 1.37 -4.18 1.79 4.77 0.71 -4.94 117.00 119.71 1k9a n LEU 198 Ca 0.09 0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 56.17 1k9a n LEU 198 Cb 0.41 -0.50 -0.10 0.00 -2.33 0.00 0.00 43.42 40.90 1k9a n LEU 198 CO 0.60 -0.53 -0.22 -1.10 -1.33 0.00 0.00 177.39 174.80 1k9a s GLN 199 N -2.30 1.17 0.13 3.23 -0.21 -1.08 -4.98 119.66 115.63 1k9a s GLN 199 Ca -0.12 -1.57 -0.21 0.00 0.02 0.00 0.00 55.36 53.47 1k9a s GLN 199 Cb 0.02 0.28 -0.07 0.00 1.00 0.00 0.00 33.01 34.23 1k9a s GLN 199 CO 0.18 -0.38 0.66 0.99 -2.12 0.00 0.00 175.29 174.62 1k9a s THR 200 N -4.13 4.59 -0.52 -0.19 2.01 -1.26 0.25 115.64 116.38 1k9a s THR 200 Ca 0.35 1.38 -0.17 0.00 0.31 0.00 0.00 61.69 63.57 1k9a s THR 200 Cb 0.07 -3.97 0.08 0.00 0.01 0.00 0.00 72.50 68.69 1k9a s THR 200 CO 0.10 0.49 0.54 -0.63 -0.69 0.00 0.00 174.62 174.43 1k9a s ILE 201 N -1.19 5.05 -3.23 1.82 1.01 -0.74 -4.77 121.20 119.15 1k9a s ILE 201 Ca 0.34 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 60.02 1k9a s ILE 201 Cb -0.20 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 37.98 1k9a s ILE 201 CO 0.22 -0.80 0.00 0.61 0.00 0.00 0.00 174.94 174.97 1k9a n GLY 202 N 5.22 0.85 0.11 6.18 0.00 -1.26 -4.83 105.19 111.45 1k9a n GLY 202 Ca -0.10 -2.07 -0.11 0.00 0.00 0.00 0.00 46.02 43.74 1k9a n GLY 202 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k9a h LYS 203 N 7.72 -0.13 -6.83 1.61 1.79 -2.02 -3.46 116.57 115.25 1k9a h LYS 203 Ca 0.00 0.01 -0.43 0.00 -2.18 0.00 0.00 60.65 58.05 1k9a h LYS 203 Cb 0.00 0.03 0.22 0.00 -1.58 0.00 0.00 32.23 30.90 1k9a h LYS 203 CO 0.00 0.37 -0.62 0.41 -1.08 0.00 0.00 179.45 178.53 1k9a n GLY 204 N 0.87 -2.45 0.06 3.86 0.00 -1.26 -4.96 105.19 101.32 1k9a n GLY 204 Ca -0.07 -1.00 0.01 0.00 0.00 0.00 0.00 46.02 44.96 1k9a n GLY 204 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1k9a n GLU 205 N -3.39 2.94 -0.54 1.61 -0.58 -1.26 -4.54 120.64 114.88 1k9a n GLU 205 Ca 0.02 -0.33 0.03 0.00 -0.42 0.00 0.00 57.16 56.47 1k9a n GLU 205 Cb 0.58 -0.84 0.20 0.00 -0.57 0.00 0.00 31.44 30.82 1k9a n GLU 205 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1k9a n PHE 206 N -0.48 0.66 -0.85 -0.32 3.01 -1.26 -4.99 117.46 113.23 1k9a n PHE 206 Ca 0.01 -1.28 -0.29 0.00 1.01 0.00 0.00 57.45 56.90 1k9a n PHE 206 Cb 0.06 -0.34 0.23 0.00 -0.01 0.00 0.00 39.48 39.42 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 -2.57 1.54 0.00 1.37 0.00 -1.26 -4.96 107.32 101.44 1k9a s GLY 207 Ca 0.40 -0.40 0.22 0.00 0.00 0.00 0.00 44.72 44.94 1k9a s GLY 207 CO 0.02 0.33 1.29 2.09 0.00 0.00 0.00 173.10 176.82 1k9a n ASP 208 N -4.69 3.13 -4.19 1.64 5.68 -1.26 -4.92 116.55 111.95 1k9a n ASP 208 Ca 0.05 -1.94 -0.29 0.00 -0.50 0.00 0.00 54.79 52.12 1k9a n ASP 208 Cb 0.57 -0.14 -0.16 0.00 -1.14 0.00 0.00 41.12 40.25 1k9a n ASP 208 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 1k9a s VAL 209 N -1.59 1.72 0.10 2.12 -7.23 -1.26 -1.21 120.40 113.06 1k9a s VAL 209 Ca 0.32 -0.87 0.04 0.00 -1.81 0.00 0.00 61.98 59.65 1k9a s VAL 209 Cb 0.20 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 1k9a s VAL 209 CO 0.29 0.48 -0.10 -0.04 -0.31 0.00 0.00 175.10 175.42 1k9a s MET 210 N 0.02 0.87 -0.04 4.82 -1.94 0.62 -1.79 119.30 121.87 1k9a s MET 210 Ca -0.06 -1.21 -0.25 0.00 -1.71 0.00 0.00 55.69 52.46 1k9a s MET 210 Cb -0.13 -0.52 -0.04 0.00 2.01 0.00 0.00 34.83 36.15 1k9a s MET 210 CO 0.04 0.07 0.75 -1.17 -0.01 0.00 0.00 175.02 174.70 1k9a s LEU 211 N -2.60 4.35 0.29 -0.03 2.96 0.14 -0.10 118.68 123.69 1k9a s LEU 211 Ca 0.08 1.31 0.03 0.00 -0.22 0.00 0.00 54.13 55.32 1k9a s LEU 211 Cb -0.01 -3.18 -0.04 0.00 0.50 0.00 0.00 46.19 43.46 1k9a s LEU 211 CO -0.00 -0.11 0.16 -0.83 -1.32 0.00 0.00 176.35 174.24 1k9a s GLY 212 N 0.67 1.99 -0.12 7.98 0.00 0.94 -0.21 107.32 118.57 1k9a s GLY 212 Ca 0.40 -1.78 0.02 0.00 0.00 0.00 0.00 44.72 43.36 1k9a s GLY 212 CO 0.20 -1.57 -0.18 -0.35 0.00 0.00 0.00 173.10 171.21 1k9a s ASP 213 N -3.35 2.73 -0.13 1.64 -1.08 0.16 -0.51 116.67 116.14 1k9a s ASP 213 Ca 0.36 -0.50 0.01 0.00 -0.52 0.00 0.00 52.55 51.89 1k9a s ASP 213 Cb 0.05 -1.24 0.02 0.00 -1.46 0.00 0.00 42.92 40.29 1k9a s ASP 213 CO 0.17 0.04 -0.13 -0.47 0.52 0.00 0.00 175.17 175.30 1k9a s TYR 214 N 0.94 1.95 -1.56 -5.34 5.04 0.85 -0.69 117.35 118.54 1k9a s TYR 214 Ca -0.06 -1.02 -0.05 0.00 -2.44 0.00 0.00 57.07 53.51 1k9a s TYR 214 Cb -0.15 -1.46 0.04 0.00 0.35 0.00 0.00 41.96 40.75 1k9a s TYR 214 CO -0.02 -0.57 0.27 0.54 -1.34 0.00 0.00 175.55 174.43 1k9a n ARG 215 N 4.60 -1.83 -0.99 4.97 1.74 -1.22 -0.07 116.66 123.86 1k9a n ARG 215 Ca -0.17 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1k9a n ARG 215 Cb 0.50 -4.14 0.00 0.00 -1.02 0.00 0.00 32.46 27.80 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 -2.12 0.50 3.31 -0.13 0.00 -1.26 -5.03 105.19 100.46 1k9a n GLY 216 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.10 2.96 -0.11 1.61 0.01 0.90 -5.09 114.94 113.12 1k9a s ASN 217 Ca 0.00 -0.53 -0.30 0.00 -0.71 0.00 0.00 52.86 51.33 1k9a s ASN 217 Cb 0.00 -0.29 -0.02 0.00 0.41 0.00 0.00 41.25 41.35 1k9a s ASN 217 CO 0.00 0.26 1.26 -0.54 -1.51 0.00 0.00 177.10 176.57 1k9a s LYS 218 N -0.99 4.28 0.15 -0.60 1.02 -1.26 -0.10 119.74 122.24 1k9a s LYS 218 Ca 0.10 1.70 0.05 0.00 0.02 0.00 0.00 55.97 57.84 1k9a s LYS 218 Cb -0.10 -3.68 -0.04 0.00 -0.52 0.00 0.00 37.83 33.49 1k9a s LYS 218 CO 0.01 -0.61 -0.11 0.14 -0.92 0.00 0.00 175.35 173.86 1k9a s VAL 219 N 2.97 1.28 -0.16 3.17 -7.23 0.33 -3.55 120.40 117.21 1k9a s VAL 219 Ca 0.56 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 58.61 1k9a s VAL 219 Cb -0.24 -1.82 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 1k9a s VAL 219 CO 0.18 -0.68 0.14 0.00 -0.31 0.00 0.00 175.10 174.44 1k9a s ALA 220 N -3.09 3.78 -0.16 1.32 0.00 0.23 -0.04 121.76 123.79 1k9a s ALA 220 Ca 0.16 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1k9a s ALA 220 Cb 0.01 -2.08 0.02 0.00 0.00 0.00 0.00 23.12 21.07 1k9a s ALA 220 CO 0.02 0.38 -0.17 0.08 0.00 0.00 0.00 175.76 176.07 1k9a s VAL 221 N -0.32 1.80 -0.19 0.00 1.01 0.86 -1.23 120.40 122.33 1k9a s VAL 221 Ca 0.12 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 1k9a s VAL 221 Cb -0.12 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1k9a s VAL 221 CO 0.01 0.49 -0.07 -0.75 0.00 0.00 0.00 175.10 174.79 1k9a s LYS 222 N 1.40 3.39 -0.18 2.72 2.36 -0.05 -0.27 119.74 129.10 1k9a s LYS 222 Ca 0.05 -0.64 -0.12 0.00 -2.55 0.00 0.00 55.97 52.71 1k9a s LYS 222 Cb -0.13 -2.90 -0.05 0.00 -1.05 0.00 0.00 37.83 33.71 1k9a s LYS 222 CO -0.12 -0.07 0.22 0.00 1.55 0.00 0.00 175.35 176.93 1k9a s ILE 224 N 0.47 1.34 0.00 0.00 -4.36 0.49 -4.91 121.20 114.24 1k9a s ILE 224 Ca 0.12 -0.66 0.00 0.00 -0.26 0.00 0.00 60.65 59.85 1k9a s ILE 224 Cb -0.12 -1.16 0.00 0.00 1.25 0.00 0.00 42.46 42.43 1k9a s ILE 224 CO 0.01 0.39 0.00 1.17 0.24 0.00 0.00 174.94 176.75 1k9a n LYS 225 N 3.23 0.00 0.00 0.37 4.81 -1.26 -1.59 118.16 123.72 1k9a n LYS 225 Ca -0.19 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.32 1k9a n LYS 225 Cb 0.53 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.56 1k9a n LYS 225 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1k9a n ASN 226 N 0.00 1.26 -2.50 3.14 5.15 -1.26 -4.87 115.26 116.18 1k9a n ASN 226 Ca 0.00 -1.13 -0.32 0.00 -0.60 0.00 0.00 54.58 52.52 1k9a n ASN 226 Cb 0.00 0.59 -0.04 0.00 -0.53 0.00 0.00 39.78 39.79 1k9a n ASN 226 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1k9a n ASP 227 N -0.43 -0.05 -0.34 1.20 -0.08 -1.26 -4.62 116.55 110.96 1k9a n ASP 227 Ca 0.05 0.64 0.33 0.00 -1.51 0.00 0.00 54.79 54.30 1k9a n ASP 227 Cb 0.27 -0.51 0.60 0.00 2.34 0.00 0.00 41.12 43.81 1k9a n ASP 227 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k9a n ALA 228 N 0.78 1.07 1.88 -1.67 0.00 -1.26 0.22 120.51 121.53 1k9a n ALA 228 Ca 0.11 0.98 0.04 0.00 0.00 0.00 0.00 53.44 54.57 1k9a n ALA 228 Cb 0.05 -1.01 0.21 0.00 0.00 0.00 0.00 19.45 18.70 1k9a n ALA 228 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1k9a n THR 229 N -5.13 0.04 -0.06 0.00 5.66 -1.26 -4.11 114.28 109.42 1k9a n THR 229 Ca 0.38 -0.05 -0.09 0.00 -3.05 0.00 0.00 64.05 61.24 1k9a n THR 229 Cb 1.32 -0.06 -0.02 0.00 -1.55 0.00 0.00 70.33 70.02 1k9a n THR 229 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1k9a h ALA 230 N 3.29 0.30 0.11 1.79 0.00 0.23 -3.21 119.26 121.77 1k9a h ALA 230 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1k9a h ALA 230 Cb 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1k9a h ALA 230 CO 0.00 -0.27 -0.42 0.37 0.00 0.00 0.00 179.25 178.92 1k9a h GLN 231 N 0.26 -0.62 -1.01 0.00 4.15 -1.78 -1.64 115.11 114.47 1k9a h GLN 231 Ca 0.10 0.04 0.28 0.00 0.77 0.00 0.00 58.65 59.85 1k9a h GLN 231 Cb 0.03 0.14 -0.13 0.00 0.21 0.00 0.00 27.48 27.73 1k9a h GLN 231 CO -0.07 -0.42 0.60 0.00 -1.93 0.00 0.00 178.83 177.01 1k9a h ALA 232 N -0.18 1.90 0.00 3.38 0.00 -1.85 0.60 119.26 123.11 1k9a h ALA 232 Ca 0.02 0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 1k9a h ALA 232 Cb 0.68 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1k9a h ALA 232 CO -0.25 -0.43 -0.83 0.74 0.00 0.00 0.00 179.25 178.47 1k9a h PHE 233 N 0.46 0.15 -0.37 0.00 -1.00 -1.44 -0.34 116.94 114.40 1k9a h PHE 233 Ca 0.68 -0.08 -0.14 0.00 2.81 0.00 0.00 57.97 61.25 1k9a h PHE 233 Cb 1.45 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.98 1k9a h PHE 233 CO -0.01 0.88 -0.31 -0.07 -1.61 0.00 0.00 178.31 177.19 1k9a h LEU 234 N 0.05 0.84 0.21 1.54 3.38 0.49 -1.75 115.31 120.07 1k9a h LEU 234 Ca -0.03 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 1k9a h LEU 234 Cb 1.45 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1k9a h LEU 234 CO 0.12 1.09 -0.10 0.00 0.09 0.00 0.00 178.44 179.63 1k9a h ALA 235 N 0.96 -0.28 -0.79 1.53 0.00 0.17 -1.43 119.26 119.42 1k9a h ALA 235 Ca 0.07 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.05 1k9a h ALA 235 Cb 0.86 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1k9a h ALA 235 CO 0.08 -0.62 0.53 1.49 0.00 0.00 0.00 179.25 180.72 1k9a h GLU 236 N -0.35 0.41 -0.24 0.00 4.81 -0.87 -0.28 114.58 118.05 1k9a h GLU 236 Ca -0.03 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 1k9a h GLU 236 Cb 0.27 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1k9a h GLU 236 CO 0.05 0.27 -0.63 0.00 -0.73 0.00 0.00 179.01 177.97 1k9a h ALA 237 N 1.64 0.43 -0.08 2.92 0.00 -0.87 -1.79 119.26 121.51 1k9a h ALA 237 Ca 0.39 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1k9a h ALA 237 Cb 0.92 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1k9a h ALA 237 CO -0.13 0.68 -0.04 1.03 0.00 0.00 0.00 179.25 180.80 1k9a h SER 238 N 0.61 -0.12 -0.78 0.00 0.87 -0.01 -2.11 113.55 112.02 1k9a h SER 238 Ca -0.01 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1k9a h SER 238 Cb 1.24 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 63.23 1k9a h SER 238 CO 0.13 -0.05 0.45 0.58 -0.53 0.00 0.00 176.83 177.41 1k9a h VAL 239 N -0.03 1.23 0.00 2.23 2.07 -1.25 -2.43 116.25 118.06 1k9a h VAL 239 Ca 0.05 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1k9a h VAL 239 Cb 0.10 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1k9a h VAL 239 CO -0.10 0.24 -0.23 0.24 0.02 0.00 0.00 177.57 177.74 1k9a h MET 240 N 1.09 0.00 0.00 1.57 2.07 -0.82 -1.99 114.93 116.85 1k9a h MET 240 Ca 0.28 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.91 1k9a h MET 240 Cb -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.72 1k9a h MET 240 CO -0.05 0.23 0.00 0.25 1.07 0.00 0.00 176.91 178.41 1k9a n THR 241 N -3.70 0.88 0.77 2.22 -2.24 -0.84 -1.97 114.28 109.39 1k9a n THR 241 Ca -0.01 0.33 0.08 0.00 -2.27 0.00 0.00 64.05 62.18 1k9a n THR 241 Cb 0.34 -1.28 -0.02 0.00 -2.10 0.00 0.00 70.33 67.28 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 -2.23 1.60 -4.01 -0.78 6.02 -0.76 -4.36 117.38 112.85 1k9a n GLN 242 Ca 0.01 -0.66 -0.31 0.00 -0.01 0.00 0.00 57.00 56.03 1k9a n GLN 242 Cb 0.19 -1.30 -0.06 0.00 1.02 0.00 0.00 30.24 30.09 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 -2.26 4.03 -0.46 1.08 1.43 -0.83 -5.06 118.68 116.61 1k9a s LEU 243 Ca 0.12 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.40 1k9a s LEU 243 Cb 0.14 -2.57 0.19 0.00 0.03 0.00 0.00 46.19 43.98 1k9a s LEU 243 CO 0.49 0.21 0.78 -0.60 0.23 0.00 0.00 176.35 177.45 1k9a s ARG 244 N -2.22 0.84 0.01 1.70 3.52 -1.26 -4.92 118.95 116.62 1k9a s ARG 244 Ca 0.29 -0.70 -0.01 0.00 -0.13 0.00 0.00 55.73 55.18 1k9a s ARG 244 Cb -0.12 -0.01 -0.01 0.00 -1.56 0.00 0.00 34.95 33.25 1k9a s ARG 244 CO 0.21 -1.08 0.01 -1.58 -0.81 0.00 0.00 175.30 172.05 1k9a s HIS 245 N 1.18 0.12 -1.04 5.12 2.46 -1.26 -5.04 115.29 116.83 1k9a s HIS 245 Ca 0.25 -0.25 0.06 0.00 0.47 0.00 0.00 55.06 55.59 1k9a s HIS 245 Cb 0.01 -0.10 0.28 0.00 -0.13 0.00 0.00 32.58 32.65 1k9a s HIS 245 CO -0.07 -0.13 1.20 -1.13 -2.47 0.00 0.00 174.74 172.14 1k9a n SER 246 N 2.18 0.00 -0.65 9.88 3.41 -1.26 -2.14 113.62 125.05 1k9a n SER 246 Ca -0.19 0.47 0.05 0.00 -0.26 0.00 0.00 58.87 58.94 1k9a n SER 246 Cb 0.57 -0.48 0.20 0.00 -0.26 0.00 0.00 64.21 64.24 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 -1.48 2.10 -3.85 4.04 3.02 -1.26 -4.91 115.26 112.91 1k9a n ASN 247 Ca 0.02 -3.69 -0.24 0.00 -0.03 0.00 0.00 54.58 50.64 1k9a n ASN 247 Cb 0.07 -0.54 -0.17 0.00 -0.61 0.00 0.00 39.78 38.54 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 -3.16 0.96 0.05 3.41 1.43 -0.91 -1.84 118.68 118.62 1k9a s LEU 248 Ca 0.39 -0.17 -0.37 0.00 -1.03 0.00 0.00 54.13 52.94 1k9a s LEU 248 Cb 0.36 -0.60 -0.17 0.00 0.03 0.00 0.00 46.19 45.82 1k9a s LEU 248 CO -0.03 -0.14 1.38 0.52 0.23 0.00 0.00 176.35 178.31 1k9a n VAL 249 N 4.84 0.03 -3.65 -1.59 0.31 -0.58 -4.65 118.33 113.03 1k9a n VAL 249 Ca -0.12 -0.01 -0.35 0.00 -0.01 0.00 0.00 64.34 63.85 1k9a n VAL 249 Cb 0.50 -0.86 -0.05 0.00 -0.91 0.00 0.00 33.84 32.52 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 0.77 3.69 -0.31 5.55 0.74 -1.26 -4.95 119.66 123.89 1k9a s GLN 250 Ca 0.86 0.09 -0.19 0.00 0.05 0.00 0.00 55.36 56.17 1k9a s GLN 250 Cb -0.96 -3.07 -0.01 0.00 1.10 0.00 0.00 33.01 30.07 1k9a s GLN 250 CO 0.48 0.62 0.56 -1.17 -0.55 0.00 0.00 175.29 175.24 1k9a s LEU 251 N -1.71 4.18 0.02 3.68 2.96 -1.26 -0.45 118.68 126.09 1k9a s LEU 251 Ca 0.29 0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 54.50 1k9a s LEU 251 Cb -0.14 -2.70 -0.26 0.00 0.50 0.00 0.00 46.19 43.59 1k9a s LEU 251 CO 0.16 -0.43 0.92 -0.07 -1.32 0.00 0.00 176.35 175.61 1k9a h LEU 252 N 9.04 0.31 0.00 -0.68 3.38 -1.27 -3.48 115.31 122.61 1k9a h LEU 252 Ca -0.28 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.27 1k9a h LEU 252 Cb 1.13 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1k9a h LEU 252 CO 0.77 1.35 0.00 0.61 0.09 0.00 0.00 178.44 181.26 1k9a n GLY 253 N 1.61 -1.01 2.95 0.83 0.00 -0.97 -4.94 105.19 103.65 1k9a n GLY 253 Ca -0.14 -1.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.00 0.09 -0.03 1.61 1.01 0.99 -1.65 120.40 119.43 1k9a s VAL 254 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1k9a s VAL 254 Cb 0.00 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 36.21 1k9a s VAL 254 CO 0.00 -0.35 0.00 -0.63 0.00 0.00 0.00 175.10 174.12 1k9a s ILE 255 N -1.03 0.14 -0.29 2.22 1.01 -0.74 -0.85 121.20 121.66 1k9a s ILE 255 Ca -0.11 0.09 -0.23 0.00 0.00 0.00 0.00 60.65 60.40 1k9a s ILE 255 Cb -0.07 -0.23 -0.00 0.00 0.01 0.00 0.00 42.46 42.17 1k9a s ILE 255 CO -0.01 0.13 0.78 -0.69 0.00 0.00 0.00 174.94 175.15 1k9a s VAL 256 N 0.94 4.83 0.71 2.92 1.01 -1.26 0.16 120.40 129.70 1k9a s VAL 256 Ca -0.09 1.26 -0.15 0.00 0.00 0.00 0.00 61.98 63.01 1k9a s VAL 256 Cb -0.13 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1k9a s VAL 256 CO -0.02 -0.17 1.15 -0.70 0.00 0.00 0.00 175.10 175.36 1k9a s GLU 257 N 2.87 2.40 0.09 2.72 2.12 -1.14 -4.97 118.70 122.80 1k9a s GLU 257 Ca 0.32 1.56 -0.36 0.00 0.36 0.00 0.00 54.97 56.86 1k9a s GLU 257 Cb -0.15 -1.89 -0.17 0.00 0.26 0.00 0.00 34.13 32.19 1k9a s GLU 257 CO 0.11 -1.59 1.55 0.93 -0.54 0.00 0.00 175.26 175.72 1k9a h GLU 258 N -0.23 -0.93 -2.08 4.30 3.07 -1.96 -2.52 114.58 114.24 1k9a h GLU 258 Ca -0.47 0.06 -0.26 0.00 -0.50 0.00 0.00 59.36 58.19 1k9a h GLU 258 Cb 1.27 0.21 -0.07 0.00 -0.84 0.00 0.00 28.75 29.32 1k9a h GLU 258 CO 0.51 -0.62 0.02 0.36 -1.40 0.00 0.00 179.01 177.88 1k9a n LYS 259 N -5.51 2.19 0.00 2.33 2.85 -1.26 -4.94 118.16 113.82 1k9a n LYS 259 Ca -0.11 -1.25 0.00 0.00 -1.05 0.00 0.00 58.31 55.90 1k9a n LYS 259 Cb 0.45 -2.08 0.00 0.00 -0.65 0.00 0.00 35.03 32.76 1k9a n LYS 259 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1k9a n GLY 260 N 2.40 -0.91 1.82 2.58 0.00 -0.95 -4.59 105.19 105.53 1k9a n GLY 260 Ca 0.46 -1.13 0.02 0.00 0.00 0.00 0.00 46.02 45.38 1k9a n GLY 260 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9a n GLY 261 N 0.00 -2.14 3.14 -0.02 0.00 -1.26 -3.56 105.19 101.35 1k9a n GLY 261 Ca 0.00 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.45 1k9a n GLY 261 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k9a s LEU 262 N 0.00 0.61 -0.16 0.99 2.96 -0.62 -2.87 118.68 119.59 1k9a s LEU 262 Ca 0.00 0.59 -0.13 0.00 -0.22 0.00 0.00 54.13 54.37 1k9a s LEU 262 Cb 0.00 0.93 -0.05 0.00 0.50 0.00 0.00 46.19 47.57 1k9a s LEU 262 CO 0.00 -0.13 0.27 -0.31 -1.32 0.00 0.00 176.35 174.86 1k9a s TYR 263 N 0.71 3.46 -0.28 5.38 4.12 0.12 -0.38 117.35 130.49 1k9a s TYR 263 Ca -0.05 0.57 -0.07 0.00 0.02 0.00 0.00 57.07 57.54 1k9a s TYR 263 Cb -0.06 -2.31 -0.01 0.00 -1.52 0.00 0.00 41.96 38.06 1k9a s TYR 263 CO -0.04 0.26 0.08 0.42 0.02 0.00 0.00 175.55 176.28 1k9a s ILE 264 N 0.41 4.14 -0.30 2.71 -1.09 0.23 -1.79 121.20 125.51 1k9a s ILE 264 Ca 0.16 -0.47 -0.08 0.00 -2.23 0.00 0.00 60.65 58.03 1k9a s ILE 264 Cb -0.13 -3.05 -0.00 0.00 -1.58 0.00 0.00 42.46 37.70 1k9a s ILE 264 CO 0.03 0.18 0.11 -0.69 -1.23 0.00 0.00 174.94 173.34 1k9a s VAL 265 N 1.55 4.26 0.33 2.92 1.01 -0.66 -0.87 120.40 128.95 1k9a s VAL 265 Ca 0.04 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1k9a s VAL 265 Cb -0.16 -3.17 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 1k9a s VAL 265 CO 0.03 0.10 -0.01 0.42 0.00 0.00 0.00 175.10 175.65 1k9a s THR 266 N 1.56 1.61 0.16 3.92 -4.23 -0.36 -0.76 115.64 117.53 1k9a s THR 266 Ca 0.04 -2.06 -0.33 0.00 -1.18 0.00 0.00 61.69 58.16 1k9a s THR 266 Cb -0.17 -2.71 -0.13 0.00 1.34 0.00 0.00 72.50 70.84 1k9a s THR 266 CO 0.04 -0.12 1.68 1.21 -0.54 0.00 0.00 174.62 176.89 1k9a n GLU 267 N -0.72 2.47 -2.44 3.99 2.13 0.40 -0.60 120.64 125.87 1k9a n GLU 267 Ca -0.04 0.89 -0.42 0.00 0.66 0.00 0.00 57.16 58.25 1k9a n GLU 267 Cb 0.65 -2.71 -0.03 0.00 0.27 0.00 0.00 31.44 29.62 1k9a n GLU 267 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1k9a s TYR 268 N 1.41 3.47 -0.78 4.31 5.04 -1.23 -4.53 117.35 125.03 1k9a s TYR 268 Ca 0.79 1.38 0.02 0.00 -2.44 0.00 0.00 57.07 56.81 1k9a s TYR 268 Cb -0.59 -3.39 0.21 0.00 0.35 0.00 0.00 41.96 38.54 1k9a s TYR 268 CO 0.36 -1.13 0.69 -1.33 -1.34 0.00 0.00 175.55 172.81 1k9a n MET 269 N 3.49 2.38 -0.22 4.97 2.81 -1.26 -4.82 117.12 124.47 1k9a n MET 269 Ca 0.07 -4.53 0.10 0.00 -1.81 0.00 0.00 57.70 51.53 1k9a n MET 269 Cb 0.46 -2.34 0.19 0.00 -0.71 0.00 0.00 33.22 30.82 1k9a n MET 269 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1k9a n ALA 270 N 1.83 0.33 1.61 3.04 0.00 -1.25 -1.89 120.51 124.17 1k9a n ALA 270 Ca 0.23 0.70 0.13 0.00 0.00 0.00 0.00 53.44 54.50 1k9a n ALA 270 Cb 0.37 -0.51 0.59 0.00 0.00 0.00 0.00 19.45 19.90 1k9a n ALA 270 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1k9a n LYS 271 N -4.86 1.46 0.00 0.00 5.02 -0.89 -4.95 118.16 113.94 1k9a n LYS 271 Ca 0.15 -0.68 0.00 0.00 -2.02 0.00 0.00 58.31 55.76 1k9a n LYS 271 Cb 0.50 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1k9a n LYS 271 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k9a n GLY 272 N 1.09 -2.16 3.75 0.72 0.00 -0.79 -4.74 105.19 103.07 1k9a n GLY 272 Ca 0.19 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 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 -3.52 5.41 0.36 1.61 1.04 -1.26 0.09 113.70 117.42 1k9a s SER 273 Ca 0.00 2.65 0.06 0.00 0.48 0.00 0.00 55.95 59.14 1k9a s SER 273 Cb 0.00 -2.63 0.68 0.00 0.10 0.00 0.00 66.02 64.18 1k9a s SER 273 CO 0.00 -1.47 1.91 0.25 0.98 0.00 0.00 173.24 174.91 1k9a h LEU 274 N 1.50 0.43 0.41 2.42 5.85 0.24 -1.39 115.31 124.77 1k9a h LEU 274 Ca -0.51 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 1k9a h LEU 274 Cb 1.29 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1k9a h LEU 274 CO 0.57 0.49 -0.29 0.58 -0.34 0.00 0.00 178.44 179.46 1k9a h VAL 275 N 0.45 0.41 -0.70 1.05 2.07 -1.79 0.85 116.25 118.58 1k9a h VAL 275 Ca 0.10 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.62 1k9a h VAL 275 Cb 0.28 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1k9a h VAL 275 CO 0.01 0.00 0.42 0.44 0.02 0.00 0.00 177.57 178.46 1k9a h ASP 276 N -0.68 0.84 -0.57 0.57 3.32 -1.84 -1.08 116.42 116.98 1k9a h ASP 276 Ca -0.04 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 1k9a h ASP 276 Cb 0.58 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 1k9a h ASP 276 CO 0.02 0.65 0.17 0.22 -1.72 0.00 0.00 179.24 178.58 1k9a h TYR 277 N 0.97 0.92 -0.81 4.55 3.20 -0.91 0.10 116.97 124.99 1k9a h TYR 277 Ca 0.25 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 1k9a h TYR 277 Cb -0.04 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 37.93 1k9a h TYR 277 CO 0.00 0.78 0.39 -0.07 -1.64 0.00 0.00 178.16 177.62 1k9a h LEU 278 N 0.80 1.06 -0.18 2.82 3.38 -0.19 -2.04 115.31 120.96 1k9a h LEU 278 Ca 0.18 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1k9a h LEU 278 Cb 0.29 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1k9a h LEU 278 CO -0.00 0.90 -0.33 0.03 0.09 0.00 0.00 178.44 179.12 1k9a h ARG 279 N 1.15 0.55 0.13 1.13 3.08 -0.81 -1.98 114.38 117.63 1k9a h ARG 279 Ca 0.28 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1k9a h ARG 279 Cb 0.12 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1k9a h ARG 279 CO -0.04 0.95 -0.06 0.66 -1.07 0.00 0.00 179.97 180.41 1k9a h SER 280 N 0.21 -0.15 -0.74 7.04 4.64 -0.75 -3.34 113.55 120.46 1k9a h SER 280 Ca 0.01 0.01 0.11 0.00 -0.47 0.00 0.00 61.79 61.44 1k9a h SER 280 Cb 0.92 0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 62.97 1k9a h SER 280 CO 0.07 -0.05 0.36 0.03 -0.87 0.00 0.00 176.83 176.38 1k9a h ARG 281 N -0.30 0.58 -3.06 4.77 -0.00 -1.54 -3.48 114.38 111.35 1k9a h ARG 281 Ca -0.02 -0.03 0.35 0.00 -0.50 0.00 0.00 59.98 59.78 1k9a h ARG 281 Cb 0.14 -0.13 -0.12 0.00 0.00 0.00 0.00 29.97 29.86 1k9a h ARG 281 CO 0.03 0.38 -0.68 0.41 0.00 0.00 0.00 179.97 180.11 1k9a n GLY 282 N -1.31 -2.26 0.33 0.04 0.00 -0.74 -3.84 105.19 97.40 1k9a n GLY 282 Ca 0.12 -1.15 0.16 0.00 0.00 0.00 0.00 46.02 45.15 1k9a n GLY 282 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1k9a h ARG 283 N -1.27 0.00 0.00 1.61 2.43 -1.84 -1.24 114.38 114.07 1k9a h ARG 283 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1k9a h ARG 283 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1k9a h ARG 283 CO 0.03 0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.36 1k9a n SER 284 N -3.88 0.00 0.00 -3.80 3.41 -1.26 -3.79 113.62 104.29 1k9a n SER 284 Ca 0.01 -0.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.98 1k9a n SER 284 Cb 0.27 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.05 0.00 -3.34 -3.33 0.31 -0.56 -5.05 118.33 105.32 1k9a n VAL 285 Ca 0.17 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.10 1k9a n VAL 285 Cb 0.10 -0.33 -0.09 0.00 -0.91 0.00 0.00 33.84 32.62 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 -2.87 4.05 0.00 7.52 1.43 -0.66 -5.06 118.68 123.09 1k9a s LEU 286 Ca 0.00 0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1k9a s LEU 286 Cb 0.00 -2.51 0.14 0.00 0.03 0.00 0.00 46.19 43.86 1k9a s LEU 286 CO 0.00 -0.22 0.99 0.61 0.23 0.00 0.00 176.35 177.96 1k9a n GLY 287 N 4.59 0.54 0.16 -3.19 0.00 -1.26 -4.71 105.19 101.32 1k9a n GLY 287 Ca -0.07 -2.01 -0.06 0.00 0.00 0.00 0.00 46.02 43.88 1k9a n GLY 287 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1k9a h GLY 288 N -0.64 0.45 0.51 -0.02 0.00 -1.98 -2.39 103.07 99.00 1k9a h GLY 288 Ca -0.33 -0.06 0.08 0.00 0.00 0.00 0.00 47.33 47.02 1k9a h GLY 288 CO 0.34 0.02 0.26 -0.55 0.00 0.00 0.00 176.54 176.61 1k9a h ASP 289 N 0.26 0.31 0.09 0.19 3.32 -1.94 0.08 116.42 118.73 1k9a h ASP 289 Ca 0.17 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.29 1k9a h ASP 289 Cb 0.15 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1k9a h ASP 289 CO -0.18 0.20 -0.15 0.00 -1.72 0.00 0.00 179.24 177.38 1k9a h LEU 291 N -0.30 -0.11 -1.00 0.00 3.38 -0.92 -1.82 115.31 114.54 1k9a h LEU 291 Ca 0.02 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1k9a h LEU 291 Cb 0.32 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 1k9a h LEU 291 CO -0.08 -0.03 0.66 0.25 0.09 0.00 0.00 178.44 179.32 1k9a h LEU 292 N 0.03 1.10 -1.04 1.67 5.85 -0.80 -1.84 115.31 120.27 1k9a h LEU 292 Ca 0.08 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1k9a h LEU 292 Cb 0.11 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1k9a h LEU 292 CO -0.15 0.75 0.13 0.50 -0.34 0.00 0.00 178.44 179.33 1k9a h LYS 293 N 1.27 0.83 -0.55 1.25 1.63 -0.21 -1.17 116.57 119.63 1k9a h LYS 293 Ca 0.40 -0.17 -0.10 0.00 -0.85 0.00 0.00 60.65 59.93 1k9a h LYS 293 Cb -0.01 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.47 1k9a h LYS 293 CO -0.12 0.74 -0.06 0.74 -3.45 0.00 0.00 179.45 177.30 1k9a h PHE 294 N 0.80 1.08 -0.82 1.91 0.05 -0.66 -0.75 116.94 118.55 1k9a h PHE 294 Ca 0.18 -0.20 -0.01 0.00 3.82 0.00 0.00 57.97 61.76 1k9a h PHE 294 Cb 0.29 -0.28 -0.04 0.00 2.00 0.00 0.00 35.95 37.92 1k9a h PHE 294 CO 0.02 0.99 0.49 0.77 -0.18 0.00 0.00 178.31 180.39 1k9a h SER 295 N 0.89 1.00 -0.01 2.17 0.02 -0.74 -1.16 113.55 115.72 1k9a h SER 295 Ca 0.15 -0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 60.86 1k9a h SER 295 Cb 0.60 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1k9a h SER 295 CO 0.04 0.78 -0.56 -0.07 -1.14 0.00 0.00 176.83 175.88 1k9a h LEU 296 N 1.14 0.67 0.15 5.07 3.38 -1.01 -0.48 115.31 124.22 1k9a h LEU 296 Ca 0.29 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1k9a h LEU 296 Cb -0.03 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1k9a h LEU 296 CO -0.05 1.09 -0.29 0.44 0.09 0.00 0.00 178.44 179.71 1k9a h ASP 297 N 0.46 -0.83 -0.33 -0.43 3.32 -0.51 0.25 116.42 118.36 1k9a h ASP 297 Ca 0.01 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1k9a h ASP 297 Cb 1.11 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 40.96 1k9a h ASP 297 CO 0.11 -0.39 0.14 0.58 -1.72 0.00 0.00 179.24 177.96 1k9a h VAL 298 N -0.53 1.17 -0.62 -1.35 2.07 -1.20 -2.49 116.25 113.31 1k9a h VAL 298 Ca 0.02 -0.52 0.08 0.00 0.82 0.00 0.00 66.70 67.10 1k9a h VAL 298 Cb 0.54 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 1k9a h VAL 298 CO -0.15 0.19 0.30 0.00 0.02 0.00 0.00 177.57 177.92 1k9a h GLU 300 N 0.54 0.42 -0.12 0.00 5.08 -0.28 0.94 114.58 121.15 1k9a h GLU 300 Ca 0.30 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1k9a h GLU 300 Cb 0.28 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1k9a h GLU 300 CO -0.24 0.45 -0.05 0.00 -1.00 0.00 0.00 179.01 178.17 1k9a h ALA 301 N 1.60 0.17 -0.98 3.43 0.00 -0.75 -2.04 119.26 120.69 1k9a h ALA 301 Ca 0.09 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1k9a h ALA 301 Cb 0.27 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1k9a h ALA 301 CO 0.01 -0.06 0.64 0.52 0.00 0.00 0.00 179.25 180.36 1k9a h MET 302 N -0.10 1.18 -0.80 0.00 2.86 -0.70 -0.64 114.93 116.73 1k9a h MET 302 Ca 0.03 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1k9a h MET 302 Cb 0.50 -0.27 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1k9a h MET 302 CO 0.02 0.78 0.38 1.49 1.06 0.00 0.00 176.91 180.64 1k9a h GLU 303 N 1.22 1.15 -0.68 1.72 4.81 -0.64 0.41 114.58 122.57 1k9a h GLU 303 Ca 0.40 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1k9a h GLU 303 Cb 0.05 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1k9a h GLU 303 CO -0.13 0.89 0.23 -0.92 -0.73 0.00 0.00 179.01 178.35 1k9a h TYR 304 N 1.13 1.05 -0.01 0.92 3.20 -0.49 0.29 116.97 123.06 1k9a h TYR 304 Ca 0.27 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 1k9a h TYR 304 Cb 0.12 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.08 1k9a h TYR 304 CO 0.01 0.83 0.00 -0.07 -1.64 0.00 0.00 178.16 177.29 1k9a h LEU 305 N 1.00 0.01 -0.23 2.82 3.38 -0.36 -0.98 115.31 120.96 1k9a h LEU 305 Ca 0.22 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.95 1k9a h LEU 305 Cb 0.25 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1k9a h LEU 305 CO -0.01 0.30 -0.04 -0.08 0.09 0.00 0.00 178.44 178.70 1k9a h GLU 306 N -0.28 0.02 -0.03 1.13 4.81 -0.76 0.12 114.58 119.60 1k9a h GLU 306 Ca 0.00 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1k9a h GLU 306 Cb 0.29 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1k9a h GLU 306 CO 0.00 0.01 0.27 0.78 -0.73 0.00 0.00 179.01 179.35 1k9a h GLY 307 N 0.02 0.00 -1.21 1.92 0.00 -0.16 -1.73 103.07 101.91 1k9a h GLY 307 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1k9a h GLY 307 CO -0.22 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.02 1k9a n ASN 308 N -3.00 3.04 -1.52 0.19 4.13 0.35 -4.99 115.26 113.46 1k9a n ASN 308 Ca -0.02 -2.24 -0.09 0.00 1.68 0.00 0.00 54.58 53.91 1k9a n ASN 308 Cb 0.33 -0.28 0.02 0.00 -1.54 0.00 0.00 39.78 38.31 1k9a n ASN 308 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1k9a n ASN 309 N 0.17 -3.53 -4.32 6.41 3.02 -0.65 -5.04 115.26 111.31 1k9a n ASN 309 Ca 0.13 -0.16 -0.30 0.00 -0.03 0.00 0.00 54.58 54.21 1k9a n ASN 309 Cb 0.52 -2.27 -0.15 0.00 -0.61 0.00 0.00 39.78 37.26 1k9a n ASN 309 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1k9a s PHE 310 N -2.95 2.31 -0.12 3.10 2.99 -0.72 -3.58 117.98 119.00 1k9a s PHE 310 Ca 0.17 -0.42 0.03 0.00 0.00 0.00 0.00 56.93 56.71 1k9a s PHE 310 Cb -0.08 -1.43 0.01 0.00 0.00 0.00 0.00 43.02 41.52 1k9a s PHE 310 CO 0.21 0.04 -0.22 0.08 -0.00 0.00 0.00 175.22 175.34 1k9a s VAL 311 N -0.71 2.00 0.01 -0.44 1.01 0.84 -3.96 120.40 119.16 1k9a s VAL 311 Ca 0.11 -0.96 -0.23 0.00 0.00 0.00 0.00 61.98 60.89 1k9a s VAL 311 Cb -0.10 -1.75 -0.17 0.00 0.00 0.00 0.00 36.38 34.36 1k9a s VAL 311 CO 0.01 0.54 1.34 -0.74 0.00 0.00 0.00 175.10 176.25 1k9a h HIS 312 N 7.03 0.17 0.00 5.22 2.76 -1.88 -2.23 115.15 126.21 1k9a h HIS 312 Ca -0.26 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.87 1k9a h HIS 312 Cb 1.21 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 30.14 1k9a h HIS 312 CO 0.47 0.54 0.00 0.54 -1.30 0.00 0.00 177.93 178.18 1k9a n ARG 313 N -4.76 0.00 -2.77 5.26 1.74 -1.26 -3.48 116.66 111.39 1k9a n ARG 313 Ca -0.07 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 56.99 1k9a n ARG 313 Cb 0.27 -2.53 0.07 0.00 -1.02 0.00 0.00 32.46 29.25 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 0.00 0.67 -4.70 0.55 2.03 -1.26 -5.00 116.55 108.84 1k9a n ASP 314 Ca 0.00 -2.18 -0.42 0.00 0.52 0.00 0.00 54.79 52.71 1k9a n ASP 314 Cb 0.00 -0.14 -0.03 0.00 -0.72 0.00 0.00 41.12 40.23 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 -3.76 4.34 -0.15 -2.67 0.20 -1.26 -4.82 118.68 110.55 1k9a s LEU 315 Ca 0.23 1.76 -0.30 0.00 0.69 0.00 0.00 54.13 56.50 1k9a s LEU 315 Cb 0.37 -3.57 0.13 0.00 -0.43 0.00 0.00 46.19 42.70 1k9a s LEU 315 CO -0.05 -0.39 1.04 0.00 -0.29 0.00 0.00 176.35 176.66 1k9a s ALA 316 N 1.35 -1.95 0.38 5.97 0.00 -1.26 -4.80 121.76 121.44 1k9a s ALA 316 Ca 0.54 1.53 0.16 0.00 0.00 0.00 0.00 51.96 54.18 1k9a s ALA 316 Cb -0.23 -0.55 1.02 0.00 0.00 0.00 0.00 23.12 23.36 1k9a s ALA 316 CO 0.26 -0.40 1.78 0.00 0.00 0.00 0.00 175.76 177.41 1k9a h ALA 317 N 2.35 2.10 0.00 0.00 0.00 -1.94 0.46 119.26 122.24 1k9a h ALA 317 Ca -0.17 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1k9a h ALA 317 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1k9a h ALA 317 CO 0.29 -0.49 0.00 0.07 0.00 0.00 0.00 179.25 179.12 1k9a h ARG 318 N 0.47 0.00 -0.71 0.00 0.11 -1.96 -2.13 114.38 110.17 1k9a h ARG 318 Ca 0.58 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.42 1k9a h ARG 318 Cb 1.33 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.27 1k9a h ARG 318 CO -0.30 0.00 0.27 0.09 0.10 0.00 0.00 179.97 180.13 1k9a n ASN 319 N -3.06 4.50 -4.05 0.08 3.02 0.16 -4.78 115.26 111.14 1k9a n ASN 319 Ca -0.01 -3.30 -0.27 0.00 -0.03 0.00 0.00 54.58 50.97 1k9a n ASN 319 Cb 0.18 -0.74 -0.17 0.00 -0.61 0.00 0.00 39.78 38.45 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 -3.04 1.40 0.18 2.41 1.01 -0.81 -2.10 120.40 119.45 1k9a s VAL 320 Ca 0.54 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1k9a s VAL 320 Cb 0.44 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 1k9a s VAL 320 CO 0.12 0.42 0.32 -0.76 0.00 0.00 0.00 175.10 175.19 1k9a s LEU 321 N 0.87 4.32 -0.06 3.92 1.43 0.21 0.68 118.68 130.06 1k9a s LEU 321 Ca -0.10 0.17 0.05 0.00 -1.03 0.00 0.00 54.13 53.23 1k9a s LEU 321 Cb -0.15 -2.93 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 1k9a s LEU 321 CO 0.01 0.01 -0.21 -0.69 0.23 0.00 0.00 176.35 175.70 1k9a s VAL 322 N -1.82 2.44 0.77 -1.59 1.01 0.11 -0.02 120.40 121.29 1k9a s VAL 322 Ca 0.35 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.34 1k9a s VAL 322 Cb -0.11 -1.92 0.13 0.00 0.00 0.00 0.00 36.38 34.49 1k9a s VAL 322 CO 0.29 0.57 1.06 -0.94 0.00 0.00 0.00 175.10 176.08 1k9a s SER 323 N -0.33 4.17 0.50 3.32 1.04 -0.30 -2.09 113.70 120.01 1k9a s SER 323 Ca 0.02 -0.08 0.15 0.00 0.48 0.00 0.00 55.95 56.52 1k9a s SER 323 Cb -0.13 -0.29 1.22 0.00 0.10 0.00 0.00 66.02 66.92 1k9a s SER 323 CO 0.02 -1.99 2.13 -0.08 0.98 0.00 0.00 173.24 174.30 1k9a h GLU 324 N -0.77 0.08 -0.78 4.02 4.57 -1.89 -0.63 114.58 119.19 1k9a h GLU 324 Ca -0.40 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.73 1k9a h GLU 324 Cb 1.27 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.81 1k9a h GLU 324 CO 0.43 0.05 0.07 -0.25 -1.18 0.00 0.00 179.01 178.13 1k9a n ASP 325 N -4.52 3.93 -2.96 1.04 8.00 -1.26 -4.90 116.55 115.88 1k9a n ASP 325 Ca -0.01 -2.66 -0.22 0.00 0.71 0.00 0.00 54.79 52.61 1k9a n ASP 325 Cb 0.12 -0.63 0.03 0.00 -0.02 0.00 0.00 41.12 40.61 1k9a n ASP 325 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1k9a n ASN 326 N 0.25 -5.83 -4.62 -2.24 3.02 -0.24 -4.98 115.26 100.61 1k9a n ASN 326 Ca 0.21 -0.25 -0.37 0.00 -0.03 0.00 0.00 54.58 54.14 1k9a n ASN 326 Cb 0.92 -4.74 -0.10 0.00 -0.61 0.00 0.00 39.78 35.24 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 -3.13 5.17 0.23 2.41 1.01 -1.26 -4.83 120.40 120.00 1k9a s VAL 327 Ca 0.27 0.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.09 1k9a s VAL 327 Cb -0.12 -3.41 -0.09 0.00 0.00 0.00 0.00 36.38 32.76 1k9a s VAL 327 CO 0.33 0.34 0.88 0.00 0.00 0.00 0.00 175.10 176.65 1k9a s ALA 328 N 1.17 3.36 -0.04 5.51 0.00 -1.26 -1.15 121.76 129.36 1k9a s ALA 328 Ca 0.07 0.51 -0.03 0.00 0.00 0.00 0.00 51.96 52.51 1k9a s ALA 328 Cb -0.14 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 19.89 1k9a s ALA 328 CO 0.05 0.24 0.10 0.15 0.00 0.00 0.00 175.76 176.30 1k9a s LYS 329 N -1.30 0.08 0.40 0.00 1.02 0.97 -4.62 119.74 116.28 1k9a s LYS 329 Ca 0.40 0.22 -0.25 0.00 0.02 0.00 0.00 55.97 56.36 1k9a s LYS 329 Cb -0.24 -0.07 -0.09 0.00 -0.52 0.00 0.00 37.83 36.92 1k9a s LYS 329 CO 0.29 -0.09 1.13 0.08 -0.92 0.00 0.00 175.35 175.84 1k9a s VAL 330 N 0.58 3.34 0.00 3.17 1.01 -0.77 -0.62 120.40 127.11 1k9a s VAL 330 Ca -0.04 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.04 1k9a s VAL 330 Cb -0.06 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.71 1k9a s VAL 330 CO -0.02 0.08 0.00 -1.54 0.00 0.00 0.00 175.10 173.61 1k9a n SER 331 N 0.07 0.00 -2.90 3.32 3.41 -0.89 -1.53 113.62 115.10 1k9a n SER 331 Ca 0.04 -0.55 -0.03 0.00 -0.26 0.00 0.00 58.87 58.08 1k9a n SER 331 Cb 0.47 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 -1.38 -6.86 -1.83 4.04 -0.08 -1.26 -4.83 116.55 104.35 1k9a n ASP 332 Ca 0.00 -0.18 -0.02 0.00 -1.51 0.00 0.00 54.79 53.08 1k9a n ASP 332 Cb 0.00 -4.74 0.29 0.00 2.34 0.00 0.00 41.12 39.01 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 -1.97 2.09 0.05 -0.67 3.01 -1.26 -4.50 117.46 114.21 1k9a n PHE 333 Ca -0.01 -0.95 0.03 0.00 1.01 0.00 0.00 57.45 57.53 1k9a n PHE 333 Cb 0.52 -0.58 0.42 0.00 -0.01 0.00 0.00 39.48 39.83 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 3.32 0.45 -1.58 1.37 0.00 -1.88 -2.02 103.07 102.72 1k9a h GLY 334 Ca 0.17 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1k9a h GLY 334 CO 0.59 0.19 -0.16 1.04 0.00 0.00 0.00 176.54 178.20 1k9a n LEU 335 N -4.42 2.63 -4.69 3.11 4.77 -1.26 -4.60 117.00 112.54 1k9a n LEU 335 Ca 0.01 -0.92 -0.42 0.00 -0.03 0.00 0.00 56.01 54.66 1k9a n LEU 335 Cb 0.13 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1k9a n LEU 335 CO 0.36 0.45 1.33 -0.89 -1.33 0.00 0.00 177.39 177.32 1k9a s THR 336 N -2.12 3.05 0.12 -5.08 2.01 -0.76 -4.72 115.64 108.14 1k9a s THR 336 Ca 0.24 0.49 -0.26 0.00 0.31 0.00 0.00 61.69 62.47 1k9a s THR 336 Cb 0.19 -3.31 0.07 0.00 0.01 0.00 0.00 72.50 69.46 1k9a s THR 336 CO 0.39 -0.00 0.91 -0.75 -0.69 0.00 0.00 174.62 174.47 1k9a s LYS 337 N 2.71 1.14 0.25 4.92 2.20 -0.84 -4.93 119.74 125.20 1k9a s LYS 337 Ca 0.74 -0.58 -0.31 0.00 -0.36 0.00 0.00 55.97 55.46 1k9a s LYS 337 Cb -0.40 0.42 -0.12 0.00 -1.51 0.00 0.00 37.83 36.23 1k9a s LYS 337 CO 0.32 -0.52 1.65 -2.00 -0.36 0.00 0.00 175.35 174.45 1k9a s GLU 338 N -3.31 4.12 -0.40 4.03 2.12 -1.24 -0.11 118.70 123.92 1k9a s GLU 338 Ca 0.10 2.59 -0.37 0.00 0.36 0.00 0.00 54.97 57.65 1k9a s GLU 338 Cb -0.02 -3.05 -0.16 0.00 0.26 0.00 0.00 34.13 31.17 1k9a s GLU 338 CO -0.01 -0.69 1.30 0.00 -0.54 0.00 0.00 175.26 175.32 1k9a n ALA 339 N 2.99 -1.02 0.00 6.30 0.00 -1.26 -4.85 120.51 122.67 1k9a n ALA 339 Ca 0.12 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1k9a n ALA 339 Cb 0.36 -1.54 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1k9a n ALA 339 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1k9a n SER 340 N 3.33 0.00 0.00 0.00 3.41 -1.24 -5.01 113.62 114.11 1k9a n SER 340 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1k9a n SER 340 Cb -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1k9a n SER 340 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1k9a n LEU 348 N 0.00 0.00 -4.63 1.04 4.77 -1.26 -5.08 117.00 111.85 1k9a n LEU 348 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 1k9a n LEU 348 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1k9a n LEU 348 CO 0.00 0.00 0.59 -2.65 -1.33 0.00 0.00 177.39 174.00 1k9a n PRO 349 N -1.50 0.98 -0.11 3.23 -0.02 -1.26 -5.00 135.00 131.32 1k9a n PRO 349 Ca 0.00 0.38 -0.18 0.00 -2.02 0.00 0.00 63.50 61.68 1k9a n PRO 349 Cb 0.00 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.22 1k9a n PRO 349 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1k9a n VAL 350 N -1.61 1.51 -0.40 -1.45 0.31 -1.26 -4.54 118.33 110.89 1k9a n VAL 350 Ca 0.13 -0.09 0.33 0.00 -0.01 0.00 0.00 64.34 64.71 1k9a n VAL 350 Cb 0.47 -2.15 0.65 0.00 -0.91 0.00 0.00 33.84 31.90 1k9a n VAL 350 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1k9a h LYS 351 N -1.00 0.15 0.00 5.55 1.57 -1.96 -2.63 116.57 118.25 1k9a h LYS 351 Ca -0.31 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1k9a h LYS 351 Cb 1.27 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1k9a h LYS 351 CO -0.19 0.10 -1.13 0.91 -0.57 0.00 0.00 179.45 178.58 1k9a n TRP 352 N -4.46 0.00 -3.27 -1.35 8.01 -1.26 -5.00 117.44 110.10 1k9a n TRP 352 Ca 0.31 0.00 -0.34 0.00 -1.31 0.00 0.00 57.50 56.16 1k9a n TRP 352 Cb 1.26 -0.14 -0.06 0.00 -2.01 0.00 0.00 31.31 30.36 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 -2.77 4.78 0.18 -0.99 2.01 -0.99 -3.93 115.64 113.93 1k9a s THR 353 Ca 0.02 0.85 -0.30 0.00 0.31 0.00 0.00 61.69 62.57 1k9a s THR 353 Cb 0.12 -3.69 -0.08 0.00 0.01 0.00 0.00 72.50 68.86 1k9a s THR 353 CO 0.68 0.04 1.08 0.00 -0.69 0.00 0.00 174.62 175.74 1k9a s ALA 354 N -1.70 3.36 0.30 7.40 0.00 -1.26 -4.90 121.76 124.96 1k9a s ALA 354 Ca 0.45 0.79 0.03 0.00 0.00 0.00 0.00 51.96 53.24 1k9a s ALA 354 Cb -0.13 -3.34 0.77 0.00 0.00 0.00 0.00 23.12 20.42 1k9a s ALA 354 CO 0.20 -0.18 1.61 -1.35 0.00 0.00 0.00 175.76 176.04 1k9a h PRO 355 N 5.06 0.10 -0.52 0.00 0.11 -1.96 0.13 132.00 134.92 1k9a h PRO 355 Ca -0.44 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1k9a h PRO 355 Cb 1.21 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1k9a h PRO 355 CO 0.72 0.07 0.23 0.93 -0.21 0.00 0.00 178.00 179.74 1k9a h GLU 356 N 0.11 0.76 0.42 1.05 3.07 -1.92 -2.53 114.58 115.54 1k9a h GLU 356 Ca 0.59 -0.13 -0.01 0.00 -0.50 0.00 0.00 59.36 59.31 1k9a h GLU 356 Cb 1.24 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 29.00 1k9a h GLU 356 CO -0.77 0.65 -0.36 0.00 -1.40 0.00 0.00 179.01 177.13 1k9a h ALA 357 N 1.07 -0.82 -0.58 3.43 0.00 -0.91 0.19 119.26 121.65 1k9a h ALA 357 Ca 0.18 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1k9a h ALA 357 Cb 0.16 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 1k9a h ALA 357 CO -0.02 -0.99 -0.08 -0.07 0.00 0.00 0.00 179.25 178.09 1k9a h LEU 358 N -0.79 -0.41 0.00 0.00 3.38 -1.33 0.24 115.31 116.40 1k9a h LEU 358 Ca -0.04 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1k9a h LEU 358 Cb 0.69 0.31 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1k9a h LEU 358 CO -0.02 -0.15 0.00 0.54 0.09 0.00 0.00 178.44 178.89 1k9a n ARG 359 N -5.34 0.00 0.00 1.13 1.74 -0.96 -3.75 116.66 109.48 1k9a n ARG 359 Ca 0.07 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1k9a n ARG 359 Cb 0.32 -0.86 0.00 0.00 -1.02 0.00 0.00 32.46 30.90 1k9a n ARG 359 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1k9a n GLU 360 N -0.94 0.00 -3.92 5.56 0.28 0.66 -4.80 120.64 117.48 1k9a n GLU 360 Ca 0.00 0.10 -0.25 0.00 -0.16 0.00 0.00 57.16 56.85 1k9a n GLU 360 Cb 0.00 -1.50 -0.01 0.00 1.43 0.00 0.00 31.44 31.35 1k9a n GLU 360 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1k9a n LYS 361 N -1.08 -3.39 -3.84 3.44 5.02 0.83 -4.98 118.16 114.16 1k9a n LYS 361 Ca 0.00 0.43 -0.12 0.00 -2.02 0.00 0.00 58.31 56.60 1k9a n LYS 361 Cb 0.00 -4.57 -0.11 0.00 -0.02 0.00 0.00 35.03 30.33 1k9a n LYS 361 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1k9a s LYS 362 N -6.48 0.37 0.29 1.97 1.02 -1.10 -5.04 119.74 110.77 1k9a s LYS 362 Ca 0.01 -0.08 0.10 0.00 0.02 0.00 0.00 55.97 56.02 1k9a s LYS 362 Cb -0.01 0.16 -0.05 0.00 -0.52 0.00 0.00 37.83 37.42 1k9a s LYS 362 CO 0.88 -0.08 -0.04 -0.06 -0.92 0.00 0.00 175.35 175.13 1k9a s PHE 363 N -0.70 2.57 0.14 3.18 0.40 -1.26 -4.01 117.98 118.29 1k9a s PHE 363 Ca -0.08 -0.30 -0.25 0.00 -0.60 0.00 0.00 56.93 55.70 1k9a s PHE 363 Cb -0.05 -1.23 0.07 0.00 0.51 0.00 0.00 43.02 42.32 1k9a s PHE 363 CO 0.01 0.60 0.97 -1.54 0.70 0.00 0.00 175.22 175.96 1k9a s SER 364 N -3.65 -0.18 0.36 1.36 1.04 -1.26 -3.65 113.70 107.71 1k9a s SER 364 Ca 0.32 -0.37 0.08 0.00 0.48 0.00 0.00 55.95 56.46 1k9a s SER 364 Cb -0.05 0.47 0.78 0.00 0.10 0.00 0.00 66.02 67.32 1k9a s SER 364 CO 0.19 -0.86 1.90 0.74 0.98 0.00 0.00 173.24 176.19 1k9a h THR 365 N 2.00 0.90 -0.86 2.02 2.02 -1.98 0.13 112.91 117.15 1k9a h THR 365 Ca -0.24 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1k9a h THR 365 Cb 1.23 0.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1k9a h THR 365 CO 0.26 0.13 0.51 0.11 0.37 0.00 0.00 175.52 176.90 1k9a h LYS 366 N 0.73 1.16 -0.48 6.66 1.79 -1.93 0.56 116.57 125.06 1k9a h LYS 366 Ca 0.40 -0.10 -0.12 0.00 -2.18 0.00 0.00 60.65 58.64 1k9a h LYS 366 Cb 0.55 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.95 1k9a h LYS 366 CO -0.17 0.81 -0.19 0.66 -1.08 0.00 0.00 179.45 179.48 1k9a h SER 367 N 1.18 0.98 -0.89 0.86 4.64 -1.18 -2.04 113.55 117.10 1k9a h SER 367 Ca 0.31 -0.36 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1k9a h SER 367 Cb -0.05 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 61.73 1k9a h SER 367 CO -0.06 1.14 0.58 0.44 -0.87 0.00 0.00 176.83 178.06 1k9a h ASP 368 N 0.84 1.03 -0.88 4.97 3.32 -0.05 -1.05 116.42 124.61 1k9a h ASP 368 Ca 0.12 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1k9a h ASP 368 Cb 0.76 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 1k9a h ASP 368 CO 0.06 0.76 0.57 0.58 -1.72 0.00 0.00 179.24 179.49 1k9a h VAL 369 N 1.21 1.23 -0.35 -1.35 2.07 0.44 0.18 116.25 119.68 1k9a h VAL 369 Ca 0.32 -0.43 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1k9a h VAL 369 Cb -0.12 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 29.55 1k9a h VAL 369 CO -0.07 0.22 0.05 -0.25 0.02 0.00 0.00 177.57 177.54 1k9a h TRP 370 N 1.19 0.07 -0.48 1.57 2.91 -0.52 -0.96 115.95 119.72 1k9a h TRP 370 Ca 0.32 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.39 1k9a h TRP 370 Cb -0.12 0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 28.52 1k9a h TRP 370 CO -0.01 -0.01 0.28 0.77 -1.03 0.00 0.00 178.44 178.44 1k9a h SER 371 N 0.16 0.45 -0.80 2.65 0.02 -0.19 -1.45 113.55 114.38 1k9a h SER 371 Ca 0.17 0.01 0.18 0.00 -0.84 0.00 0.00 61.79 61.31 1k9a h SER 371 Cb 0.21 -0.08 -0.11 0.00 0.14 0.00 0.00 62.40 62.55 1k9a h SER 371 CO -0.24 0.32 0.28 0.15 -1.14 0.00 0.00 176.83 176.19 1k9a h PHE 372 N 0.56 0.45 -0.51 3.45 3.57 0.57 0.41 116.94 125.44 1k9a h PHE 372 Ca 0.20 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.77 1k9a h PHE 372 Cb 0.04 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 1k9a h PHE 372 CO -0.07 -0.04 0.28 0.78 -2.23 0.00 0.00 178.31 177.02 1k9a h GLY 373 N 0.35 0.71 0.92 2.40 0.00 -0.17 0.44 103.07 107.73 1k9a h GLY 373 Ca 0.47 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.59 1k9a h GLY 373 CO -0.50 0.15 0.12 -2.22 0.00 0.00 0.00 176.54 174.09 1k9a h ILE 374 N 0.55 1.16 -0.68 2.60 1.08 -0.17 0.13 117.51 122.17 1k9a h ILE 374 Ca 0.21 -0.46 0.09 0.00 -0.39 0.00 0.00 64.86 64.31 1k9a h ILE 374 Cb 0.08 0.96 -0.07 0.00 -3.07 0.00 0.00 36.82 34.72 1k9a h ILE 374 CO -0.12 0.16 0.33 0.25 -0.69 0.00 0.00 178.15 178.08 1k9a h LEU 375 N 0.30 0.43 -0.36 1.44 7.12 0.14 0.65 115.31 125.02 1k9a h LEU 375 Ca 0.09 0.06 0.01 0.00 0.13 0.00 0.00 57.88 58.17 1k9a h LEU 375 Cb 0.14 -0.01 -0.02 0.00 -0.53 0.00 0.00 40.66 40.24 1k9a h LEU 375 CO -0.01 0.25 0.22 -0.07 -0.13 0.00 0.00 178.44 178.70 1k9a h LEU 376 N 0.57 0.37 -0.45 2.25 3.38 0.51 0.39 115.31 122.34 1k9a h LEU 376 Ca 0.33 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.34 1k9a h LEU 376 Cb 0.35 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1k9a h LEU 376 CO -0.26 0.27 0.22 -0.25 0.09 0.00 0.00 178.44 178.51 1k9a h TRP 377 N 0.46 0.41 -0.55 1.13 7.01 0.36 -1.81 115.95 122.95 1k9a h TRP 377 Ca 0.14 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.22 1k9a h TRP 377 Cb -0.02 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 26.87 1k9a h TRP 377 CO -0.07 0.21 0.26 0.93 -2.79 0.00 0.00 178.44 176.98 1k9a h GLU 378 N 0.45 0.47 0.08 2.65 5.08 -0.26 0.76 114.58 123.81 1k9a h GLU 378 Ca 0.19 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1k9a h GLU 378 Cb 0.10 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1k9a h GLU 378 CO -0.13 0.31 -0.16 0.82 -1.00 0.00 0.00 179.01 178.85 1k9a h ILE 379 N 0.48 0.63 0.00 3.13 2.04 -0.18 0.95 117.51 124.58 1k9a h ILE 379 Ca 0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.12 1k9a h ILE 379 Cb 0.22 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1k9a h ILE 379 CO -0.21 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.72 1k9a n TYR 380 N -5.28 0.38 1.14 1.37 4.02 -0.75 -1.86 117.16 116.18 1k9a n TYR 380 Ca -0.06 0.13 0.12 0.00 -0.01 0.00 0.00 57.90 58.08 1k9a n TYR 380 Cb 0.20 -0.72 0.24 0.00 -0.02 0.00 0.00 39.34 39.04 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 -1.83 1.21 -2.67 7.72 7.64 0.24 -4.76 113.62 121.17 1k9a n SER 381 Ca 0.04 -0.98 -0.16 0.00 1.01 0.00 0.00 58.87 58.79 1k9a n SER 381 Cb 0.27 0.29 0.06 0.00 -1.01 0.00 0.00 64.21 63.81 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 -0.65 -1.91 -0.59 1.43 3.01 0.21 -3.25 117.46 115.71 1k9a n PHE 382 Ca 0.10 0.70 0.00 0.00 1.01 0.00 0.00 57.45 59.26 1k9a n PHE 382 Cb 0.38 -3.89 0.00 0.00 -0.01 0.00 0.00 39.48 35.96 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 -1.46 0.76 3.71 1.37 0.00 -0.47 -3.33 105.19 105.77 1k9a n GLY 383 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1k9a n GLY 383 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1k9a s ARG 384 N -0.41 1.84 0.25 1.61 3.52 -1.20 -4.94 118.95 119.62 1k9a s ARG 384 Ca 0.00 1.82 -0.30 0.00 -0.13 0.00 0.00 55.73 57.12 1k9a s ARG 384 Cb 0.00 -1.79 -0.09 0.00 -1.56 0.00 0.00 34.95 31.51 1k9a s ARG 384 CO 0.00 -2.07 0.99 0.08 -0.81 0.00 0.00 175.30 173.48 1k9a s VAL 385 N -1.99 3.92 0.55 7.11 1.01 -1.26 -4.78 120.40 124.96 1k9a s VAL 385 Ca 0.75 1.92 -0.21 0.00 0.00 0.00 0.00 61.98 64.45 1k9a s VAL 385 Cb -0.30 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 1k9a s VAL 385 CO 0.48 0.45 1.27 -2.84 0.00 0.00 0.00 175.10 174.46 1k9a s PRO 386 N -1.21 3.17 -0.90 2.72 0.02 -1.26 -3.94 135.00 133.59 1k9a s PRO 386 Ca 0.42 2.00 -0.06 0.00 0.02 0.00 0.00 61.00 63.38 1k9a s PRO 386 Cb -0.28 -2.16 -0.02 0.00 0.02 0.00 0.00 34.50 32.07 1k9a s PRO 386 CO 0.34 -1.09 0.76 0.66 -0.33 0.00 0.00 177.00 177.34 1k9a n TYR 387 N -1.15 -2.52 -1.85 6.54 4.02 -1.26 -4.95 117.16 115.99 1k9a n TYR 387 Ca 0.11 0.89 -0.36 0.00 -0.01 0.00 0.00 57.90 58.53 1k9a n TYR 387 Cb 0.47 -3.79 0.05 0.00 -0.02 0.00 0.00 39.34 36.06 1k9a n TYR 387 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1k9a s PRO 388 N -4.20 2.73 -1.20 -0.72 0.02 -1.25 -3.63 135.00 126.74 1k9a s PRO 388 Ca 0.20 1.93 -0.34 0.00 0.02 0.00 0.00 61.00 62.81 1k9a s PRO 388 Cb -0.05 -1.88 0.05 0.00 0.02 0.00 0.00 34.50 32.63 1k9a s PRO 388 CO 0.79 -1.42 0.68 2.89 -0.33 0.00 0.00 177.00 179.61 1k9a n ARG 389 N -1.81 -0.26 -3.19 5.54 1.85 -1.26 -4.96 116.66 112.56 1k9a n ARG 389 Ca 0.15 0.09 0.01 0.00 -1.00 0.00 0.00 57.85 57.09 1k9a n ARG 389 Cb 0.49 -2.48 -0.01 0.00 -1.05 0.00 0.00 32.46 29.41 1k9a n ARG 389 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1k9a s ILE 390 N -3.51 -0.94 0.07 8.89 1.01 -1.24 -5.14 121.20 120.34 1k9a s ILE 390 Ca 0.48 -0.07 -0.37 0.00 0.00 0.00 0.00 60.65 60.70 1k9a s ILE 390 Cb -0.27 -0.62 -0.18 0.00 0.01 0.00 0.00 42.46 41.40 1k9a s ILE 390 CO 0.97 -0.05 1.09 -2.65 0.00 0.00 0.00 174.94 174.30 1k9a n PRO 391 N 5.00 0.47 -0.02 2.79 -0.02 -1.26 -4.73 135.00 137.22 1k9a n PRO 391 Ca 0.07 0.17 0.22 0.00 -2.02 0.00 0.00 63.50 61.94 1k9a n PRO 391 Cb 0.54 -1.64 0.52 0.00 -0.02 0.00 0.00 33.50 32.90 1k9a n PRO 391 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1k9a h LEU 392 N 3.20 0.00 -0.31 2.45 -0.00 -2.01 -0.02 115.31 118.62 1k9a h LEU 392 Ca -0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.40 1k9a h LEU 392 Cb 1.39 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.04 1k9a h LEU 392 CO 0.68 0.00 0.13 0.11 -0.00 0.00 0.00 178.44 179.36 1k9a h LYS 393 N 0.00 0.46 0.00 1.13 6.56 -2.06 -3.26 116.57 119.41 1k9a h LYS 393 Ca 0.31 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.82 1k9a h LYS 393 Cb 2.10 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 33.68 1k9a h LYS 393 CO -0.00 0.46 -0.50 -0.25 -2.06 0.00 0.00 179.45 177.10 1k9a n ASP 394 N -4.74 0.52 -0.11 0.86 8.00 -0.03 -4.50 116.55 116.56 1k9a n ASP 394 Ca -0.02 -0.05 -0.12 0.00 0.71 0.00 0.00 54.79 55.31 1k9a n ASP 394 Cb 0.13 0.15 -0.09 0.00 -0.02 0.00 0.00 41.12 41.29 1k9a n ASP 394 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1k9a h VAL 395 N 0.00 0.00 0.57 2.53 2.07 -1.59 0.91 116.25 120.75 1k9a h VAL 395 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1k9a h VAL 395 Cb 0.59 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1k9a h VAL 395 CO 0.00 0.00 -0.46 0.58 0.02 0.00 0.00 177.57 177.71 1k9a h VAL 396 N -0.37 0.00 -0.51 2.57 2.07 -1.80 0.22 116.25 118.43 1k9a h VAL 396 Ca 0.06 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.68 1k9a h VAL 396 Cb 0.54 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.22 1k9a h VAL 396 CO -0.51 0.00 -0.02 -0.65 0.02 0.00 0.00 177.57 176.40 1k9a h PRO 397 N -0.99 0.09 -0.76 1.57 0.11 -1.75 0.84 132.00 131.10 1k9a h PRO 397 Ca -0.07 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.01 1k9a h PRO 397 Cb 0.83 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.89 1k9a h PRO 397 CO 0.01 0.06 0.39 -0.09 -0.21 0.00 0.00 178.00 178.16 1k9a h ARG 398 N 0.09 1.08 -0.16 1.05 1.12 0.98 -2.82 114.38 115.72 1k9a h ARG 398 Ca 0.26 -0.14 -0.08 0.00 -1.11 0.00 0.00 59.98 58.90 1k9a h ARG 398 Cb 0.39 -0.20 -0.00 0.00 -0.01 0.00 0.00 29.97 30.15 1k9a h ARG 398 CO -0.45 0.82 -0.22 0.28 -3.11 0.00 0.00 179.97 177.30 1k9a h VAL 399 N 1.06 1.35 0.00 0.20 2.07 0.61 -2.69 116.25 118.85 1k9a h VAL 399 Ca 0.27 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1k9a h VAL 399 Cb 0.07 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1k9a h VAL 399 CO -0.04 0.43 0.01 -0.62 0.02 0.00 0.00 177.57 177.37 1k9a n GLU 400 N -4.46 0.00 -2.07 1.57 1.02 0.28 -0.88 120.64 116.10 1k9a n GLU 400 Ca -0.06 0.29 -0.24 0.00 -0.02 0.00 0.00 57.16 57.14 1k9a n GLU 400 Cb 0.42 -1.51 0.02 0.00 -0.02 0.00 0.00 31.44 30.35 1k9a n GLU 400 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1k9a n LYS 401 N -1.29 3.57 -1.17 3.49 5.02 -1.08 -4.94 118.16 121.76 1k9a n LYS 401 Ca 0.00 -4.19 -0.01 0.00 -2.02 0.00 0.00 58.31 52.09 1k9a n LYS 401 Cb 0.01 -2.27 -0.00 0.00 -0.02 0.00 0.00 35.03 32.75 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 -0.69 0.43 3.77 0.72 0.00 -0.06 -5.02 105.19 104.33 1k9a n GLY 402 Ca 0.43 -1.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.03 3.80 -0.03 1.61 5.04 -1.03 -5.00 117.35 119.70 1k9a s TYR 403 Ca 0.00 1.47 -0.01 0.00 -2.44 0.00 0.00 57.07 56.08 1k9a s TYR 403 Cb 0.00 -2.74 0.02 0.00 0.35 0.00 0.00 41.96 39.59 1k9a s TYR 403 CO 0.00 0.40 0.06 0.15 -1.34 0.00 0.00 175.55 174.82 1k9a s LYS 404 N -0.56 0.04 0.60 4.97 -0.14 -1.26 -4.65 119.74 118.73 1k9a s LYS 404 Ca 0.35 0.15 -0.19 0.00 -1.36 0.00 0.00 55.97 54.92 1k9a s LYS 404 Cb -0.21 -0.08 -0.03 0.00 -1.68 0.00 0.00 37.83 35.83 1k9a s LYS 404 CO 0.23 -0.07 1.25 -1.64 -0.76 0.00 0.00 175.35 174.36 1k9a s MET 405 N 0.47 2.90 0.83 1.68 -1.94 -1.26 -4.97 119.30 117.01 1k9a s MET 405 Ca -0.04 1.95 -0.11 0.00 -1.71 0.00 0.00 55.69 55.79 1k9a s MET 405 Cb -0.05 -1.96 0.09 0.00 2.01 0.00 0.00 34.83 34.91 1k9a s MET 405 CO -0.02 -1.30 1.10 -0.51 -0.01 0.00 0.00 175.02 174.29 1k9a s ASP 406 N -1.44 3.94 0.29 3.03 1.11 -1.26 -4.96 116.67 117.39 1k9a s ASP 406 Ca 0.78 1.84 -0.29 0.00 0.18 0.00 0.00 52.55 55.05 1k9a s ASP 406 Cb -0.34 -2.47 -0.10 0.00 1.07 0.00 0.00 42.92 41.08 1k9a s ASP 406 CO 0.37 -2.39 1.27 0.00 1.18 0.00 0.00 175.17 175.60 1k9a s ALA 407 N -2.85 3.49 0.61 5.23 0.00 -1.26 -4.98 121.76 122.01 1k9a s ALA 407 Ca 0.63 1.16 -0.18 0.00 0.00 0.00 0.00 51.96 53.57 1k9a s ALA 407 Cb -0.19 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 1k9a s ALA 407 CO 0.57 -0.53 1.16 -2.14 0.00 0.00 0.00 175.76 174.82 1k9a s PRO 408 N -1.29 2.92 0.22 0.00 0.02 -1.26 -4.92 135.00 130.69 1k9a s PRO 408 Ca 0.50 1.66 -0.32 0.00 0.02 0.00 0.00 61.00 62.86 1k9a s PRO 408 Cb -0.38 -1.94 -0.13 0.00 0.02 0.00 0.00 34.50 32.07 1k9a s PRO 408 CO 0.47 -1.20 1.52 -0.25 -0.33 0.00 0.00 177.00 177.21 1k9a n ASP 409 N -1.86 3.15 0.00 2.53 8.00 -1.26 -1.11 116.55 126.00 1k9a n ASP 409 Ca 0.12 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.74 1k9a n ASP 409 Cb 0.51 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 1k9a n ASP 409 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k9a n GLY 410 N 2.72 1.28 3.69 0.44 0.00 -1.26 -4.95 105.19 107.11 1k9a n GLY 410 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 2.04 4.18 0.28 0.00 0.02 -1.26 -4.87 135.00 135.39 1k9a s PRO 412 Ca 0.60 2.41 -0.00 0.00 0.02 0.00 0.00 61.00 64.04 1k9a s PRO 412 Cb -0.29 -3.62 0.65 0.00 0.02 0.00 0.00 34.50 31.26 1k9a s PRO 412 CO 0.26 -0.77 1.63 -1.35 -0.33 0.00 0.00 177.00 176.43 1k9a h PRO 413 N 8.49 0.13 -0.42 5.54 0.11 -1.94 0.22 132.00 144.13 1k9a h PRO 413 Ca -0.44 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.73 1k9a h PRO 413 Cb 1.21 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 1k9a h PRO 413 CO 0.94 0.09 0.07 0.00 -0.21 0.00 0.00 178.00 178.89 1k9a h ALA 414 N 1.80 0.45 -0.89 -0.75 0.00 -1.90 0.10 119.26 118.07 1k9a h ALA 414 Ca 0.53 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.52 1k9a h ALA 414 Cb 1.05 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1k9a h ALA 414 CO -0.71 -0.33 0.51 0.28 0.00 0.00 0.00 179.25 179.00 1k9a h VAL 415 N 0.20 1.25 -0.23 0.00 2.07 -0.95 -0.95 116.25 117.64 1k9a h VAL 415 Ca 0.20 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 1k9a h VAL 415 Cb 0.26 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1k9a h VAL 415 CO -0.28 0.27 -0.09 0.22 0.02 0.00 0.00 177.57 177.71 1k9a h TYR 416 N 1.23 0.38 -0.38 1.57 3.20 -0.25 -1.36 116.97 121.37 1k9a h TYR 416 Ca 0.32 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 62.09 1k9a h TYR 416 Cb -0.02 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 1k9a h TYR 416 CO 0.01 0.46 0.03 -0.44 -1.64 0.00 0.00 178.16 176.58 1k9a h ASP 417 N 0.35 0.55 -0.21 -2.11 3.32 0.49 0.13 116.42 118.93 1k9a h ASP 417 Ca 0.07 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.00 1k9a h ASP 417 Cb 0.38 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1k9a h ASP 417 CO 0.02 0.60 0.05 0.58 -1.72 0.00 0.00 179.24 178.77 1k9a h VAL 418 N 0.56 1.21 -0.27 -1.35 2.07 -0.53 -0.66 116.25 117.28 1k9a h VAL 418 Ca 0.12 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 67.01 1k9a h VAL 418 Cb 0.31 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1k9a h VAL 418 CO 0.01 0.21 0.03 0.24 0.02 0.00 0.00 177.57 178.08 1k9a h MET 419 N 0.16 0.11 -0.72 1.57 2.86 -0.94 -1.68 114.93 116.29 1k9a h MET 419 Ca 0.07 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.75 1k9a h MET 419 Cb 0.27 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 1k9a h MET 419 CO 0.00 0.08 0.43 0.87 1.06 0.00 0.00 176.91 179.35 1k9a h LYS 420 N 0.12 0.80 0.00 1.72 1.57 -0.83 -0.05 116.57 119.90 1k9a h LYS 420 Ca 0.13 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1k9a h LYS 420 Cb 0.15 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1k9a h LYS 420 CO -0.19 0.53 -0.09 -0.97 -0.57 0.00 0.00 179.45 178.16 1k9a h ASN 421 N 0.82 0.00 1.53 0.86 -1.24 -0.44 -0.88 115.58 116.23 1k9a h ASN 421 Ca 0.31 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 57.24 1k9a h ASN 421 Cb 0.11 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 1k9a h ASN 421 CO -0.15 0.09 -0.36 0.00 -1.29 0.00 0.00 177.43 175.72 1k9a n TRP 423 N -3.22 1.24 -2.08 0.00 8.01 -0.34 -4.14 117.44 116.91 1k9a n TRP 423 Ca 0.02 -0.45 -0.40 0.00 -1.31 0.00 0.00 57.50 55.35 1k9a n TRP 423 Cb 0.65 -0.29 -0.02 0.00 -2.01 0.00 0.00 31.31 29.65 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 -1.99 2.96 0.28 -5.99 3.76 -1.23 -4.89 115.29 108.20 1k9a s HIS 424 Ca 0.36 1.40 0.16 0.00 -0.15 0.00 0.00 55.06 56.84 1k9a s HIS 424 Cb 0.26 -3.69 0.73 0.00 1.11 0.00 0.00 32.58 30.98 1k9a s HIS 424 CO 0.14 -1.97 1.78 -0.07 -0.85 0.00 0.00 174.74 173.76 1k9a h LEU 425 N 3.18 0.00 -8.31 0.89 3.38 -1.95 -3.38 115.31 109.11 1k9a h LEU 425 Ca -0.49 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 56.88 1k9a h LEU 425 Cb 1.23 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.86 1k9a h LEU 425 CO 0.65 0.39 0.69 -0.62 0.09 0.00 0.00 178.44 179.63 1k9a s ASP 426 N -6.63 6.19 0.21 -0.43 -1.08 -1.26 -4.91 116.67 108.75 1k9a s ASP 426 Ca -0.01 -0.77 -0.21 0.00 -0.52 0.00 0.00 52.55 51.03 1k9a s ASP 426 Cb 0.13 -2.46 0.15 0.00 -1.46 0.00 0.00 42.92 39.28 1k9a s ASP 426 CO 0.70 -1.53 1.56 0.00 0.52 0.00 0.00 175.17 176.42 1k9a h ALA 427 N 9.67 -0.04 -1.05 3.66 0.00 -1.97 0.17 119.26 129.70 1k9a h ALA 427 Ca -0.28 0.22 0.30 0.00 0.00 0.00 0.00 54.91 55.15 1k9a h ALA 427 Cb 1.07 1.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.85 1k9a h ALA 427 CO 1.20 -0.71 0.76 0.00 0.00 0.00 0.00 179.25 180.50 1k9a h ALA 428 N 1.10 2.99 0.00 0.00 0.00 -1.94 0.32 119.26 121.74 1k9a h ALA 428 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1k9a h ALA 428 Cb 0.56 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1k9a h ALA 428 CO -0.91 -1.30 0.00 1.15 0.00 0.00 0.00 179.25 178.19 1k9a h THR 429 N 0.00 0.00 -4.02 0.00 2.02 -1.04 -3.45 112.91 106.42 1k9a h THR 429 Ca 0.50 -0.57 -0.48 0.00 0.77 0.00 0.00 66.41 66.63 1k9a h THR 429 Cb 2.01 1.51 0.03 0.00 -1.74 0.00 0.00 68.15 69.96 1k9a h THR 429 CO -0.01 0.00 0.41 -0.13 0.37 0.00 0.00 175.52 176.17 1k9a s ARG 430 N -3.34 3.92 0.87 6.66 0.52 0.11 -5.00 118.95 122.69 1k9a s ARG 430 Ca 0.06 1.50 -0.11 0.00 -0.52 0.00 0.00 55.73 56.65 1k9a s ARG 430 Cb 0.09 -2.32 0.11 0.00 0.52 0.00 0.00 34.95 33.35 1k9a s ARG 430 CO 0.56 -0.35 1.09 -1.25 0.02 0.00 0.00 175.30 175.37 1k9a s PRO 431 N -2.85 1.46 0.64 3.54 0.04 -1.26 -5.05 135.00 131.52 1k9a s PRO 431 Ca 0.63 0.84 -0.06 0.00 0.04 0.00 0.00 61.00 62.45 1k9a s PRO 431 Cb -0.21 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.54 1k9a s PRO 431 CO 0.26 -2.11 0.95 0.95 0.04 0.00 0.00 177.00 177.09 1k9a s THR 432 N -2.96 2.91 0.39 1.26 -4.23 -1.26 -4.92 115.64 106.84 1k9a s THR 432 Ca 0.63 -0.17 0.14 0.00 -1.18 0.00 0.00 61.69 61.11 1k9a s THR 432 Cb -0.17 -3.20 0.13 0.00 1.34 0.00 0.00 72.50 70.60 1k9a s THR 432 CO 0.56 -0.21 1.89 -0.26 -0.54 0.00 0.00 174.62 176.07 1k9a h PHE 433 N -0.37 0.00 -0.12 3.99 -1.00 -1.94 -1.81 116.94 115.69 1k9a h PHE 433 Ca -0.45 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.32 1k9a h PHE 433 Cb 1.29 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.84 1k9a h PHE 433 CO 0.40 0.30 0.03 1.25 -1.61 0.00 0.00 178.31 178.68 1k9a h LEU 434 N 0.00 0.17 -1.63 1.54 6.46 -1.93 0.24 115.31 120.16 1k9a h LEU 434 Ca -0.00 -0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 1k9a h LEU 434 Cb 0.54 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 1k9a h LEU 434 CO 0.04 0.34 0.16 1.56 -0.62 0.00 0.00 178.44 179.92 1k9a h GLN 435 N -0.01 0.40 -0.28 1.25 4.20 -1.85 -0.65 115.11 118.17 1k9a h GLN 435 Ca 0.04 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1k9a h GLN 435 Cb 0.23 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1k9a h GLN 435 CO -0.00 0.30 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.22 1k9a h LEU 436 N 0.41 0.64 0.11 1.46 3.38 -1.02 -2.26 115.31 118.03 1k9a h LEU 436 Ca 0.11 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1k9a h LEU 436 Cb 0.02 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1k9a h LEU 436 CO -0.02 0.92 -0.06 -0.09 0.09 0.00 0.00 178.44 179.29 1k9a h ARG 437 N 0.35 -0.16 -0.49 1.13 2.43 0.83 -1.53 114.38 116.94 1k9a h ARG 437 Ca 0.06 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1k9a h ARG 437 Cb 0.70 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1k9a h ARG 437 CO 0.05 -0.10 0.27 0.93 -1.51 0.00 0.00 179.97 179.61 1k9a h GLU 438 N -0.16 0.67 -0.36 0.20 5.08 -1.18 0.14 114.58 118.97 1k9a h GLU 438 Ca -0.01 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1k9a h GLU 438 Cb 0.13 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1k9a h GLU 438 CO 0.02 0.49 -0.21 0.37 -1.00 0.00 0.00 179.01 178.68 1k9a h GLN 439 N 0.68 0.78 -0.53 2.33 5.75 -1.12 0.40 115.11 123.39 1k9a h GLN 439 Ca 0.18 -0.35 -0.01 0.00 -0.15 0.00 0.00 58.65 58.31 1k9a h GLN 439 Cb 0.01 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 1k9a h GLN 439 CO -0.03 0.98 0.29 -0.07 -2.65 0.00 0.00 178.83 177.35 1k9a h LEU 440 N 0.56 0.67 -0.89 -2.39 3.38 -0.68 0.19 115.31 116.16 1k9a h LEU 440 Ca 0.08 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1k9a h LEU 440 Cb 0.76 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1k9a h LEU 440 CO 0.06 0.57 0.10 -0.33 0.09 0.00 0.00 178.44 178.93 1k9a h GLU 441 N 0.71 0.92 -0.52 1.13 5.08 -0.45 -1.97 114.58 119.48 1k9a h GLU 441 Ca 0.19 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1k9a h GLU 441 Cb 0.05 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1k9a h GLU 441 CO -0.03 0.85 0.29 1.25 -1.00 0.00 0.00 179.01 180.37 1k9a h HIS 442 N 0.87 0.70 -0.79 4.33 2.76 0.47 -0.17 115.15 123.32 1k9a h HIS 442 Ca 0.18 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1k9a h HIS 442 Cb 0.38 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.07 1k9a h HIS 442 CO 0.02 0.51 0.51 0.82 -1.30 0.00 0.00 177.93 178.50 1k9a h ILE 443 N 0.69 1.21 0.14 6.26 2.04 -0.16 -2.55 117.51 125.14 1k9a h ILE 443 Ca 0.18 -0.40 -0.28 0.00 1.00 0.00 0.00 64.86 65.36 1k9a h ILE 443 Cb 0.03 0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1k9a h ILE 443 CO -0.03 0.21 -1.26 0.08 0.00 0.00 0.00 178.15 177.15 1k9a h ARG 444 N 1.08 0.33 -0.94 2.37 0.11 -0.98 -0.11 114.38 116.23 1k9a h ARG 444 Ca 0.29 -0.54 0.04 0.00 0.10 0.00 0.00 59.98 59.87 1k9a h ARG 444 Cb -0.10 0.20 -0.06 0.00 1.11 0.00 0.00 29.97 31.12 1k9a h ARG 444 CO -0.06 1.25 0.62 1.15 0.10 0.00 0.00 179.97 183.02 1k9a h THR 445 N 0.10 1.15 -0.11 0.08 2.02 -0.79 -2.44 112.91 112.92 1k9a h THR 445 Ca -0.15 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.63 1k9a h THR 445 Cb 1.97 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1k9a h THR 445 CO 0.21 0.21 0.00 1.41 0.37 0.00 0.00 175.52 177.73 1k9a n HIS 446 N -4.45 0.12 -3.46 3.16 8.25 -0.98 -4.98 115.22 112.88 1k9a n HIS 446 Ca 0.13 -0.06 -0.21 0.00 -0.26 0.00 0.00 57.72 57.32 1k9a n HIS 446 Cb 0.11 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.29 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 1.24 -6.98 0.08 -0.41 1.02 -0.58 -4.89 120.64 110.12 1k9a n GLU 447 Ca 0.16 0.72 0.12 0.00 -0.02 0.00 0.00 57.16 58.14 1k9a n GLU 447 Cb 0.57 -5.46 0.45 0.00 -0.02 0.00 0.00 31.44 26.99 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 -4.44 0.51 0.08 -4.62 4.77 -0.16 -2.20 117.00 110.94 1k9a n LEU 448 Ca 0.01 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.69 1k9a n LEU 448 Cb 0.55 -0.48 0.14 0.00 -2.33 0.00 0.00 43.42 41.31 1k9a n LEU 448 CO 0.57 -0.32 0.33 1.12 -1.33 0.00 0.00 177.39 177.76 1k9a h HIS 449 N 0.00 0.00 -0.02 -1.77 2.07 -1.91 -3.44 115.15 110.08 1k9a h HIS 449 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1k9a h HIS 449 Cb 0.48 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.46 1k9a h HIS 449 CO 0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14